# serial: JuKKR__intel_20190412162245
 atom:            1
 CALCTMAT: IE=           1  ATOM:           1
 energy:           1  (-0.500000000000000,9.948888292371438E-004)
 Born           0   1056.82292893263     
 Born           1  3.242720877841294E-002
 Born           2  4.987304086562129E-005
 CALCTMAT: IE=           2  ATOM:           1
 energy:           2  (-0.484848484848485,9.948888292371438E-004)
 Born           0   1051.46249639291     
 Born           1  3.225678498033930E-002
 Born           2  4.961714943571746E-005
 CALCTMAT: IE=           3  ATOM:           1
 energy:           3  (-0.469696969696970,9.948888292371438E-004)
 Born           0   1046.28660770443     
 Born           1  3.209044348330916E-002
 Born           2  4.936778699068844E-005
 CALCTMAT: IE=           4  ATOM:           1
 energy:           4  (-0.454545454545455,9.948888292371438E-004)
 Born           0   1041.30358358123     
 Born           1  3.192836078743495E-002
 Born           2  4.912523588507680E-005
 CALCTMAT: IE=           5  ATOM:           1
 energy:           5  (-0.439393939393939,9.948888292371438E-004)
 Born           0   1036.52257103314     
 Born           1  3.177073101479232E-002
 Born           2  4.888980713807554E-005
 CALCTMAT: IE=           6  ATOM:           1
 energy:           6  (-0.424242424242424,9.948888292371438E-004)
 Born           0   1031.95364330412     
 Born           1  3.161776804873268E-002
 Born           2  4.866184347862364E-005
 CALCTMAT: IE=           7  ATOM:           1
 energy:           7  (-0.409090909090909,9.948888292371438E-004)
 Born           0   1027.60791471739     
 Born           1  3.146970799254114E-002
 Born           2  4.844172361144722E-005
 CALCTMAT: IE=           8  ATOM:           1
 energy:           8  (-0.393939393939394,9.948888292371438E-004)
 Born           0   1023.49767308792     
 Born           1  3.132681200577696E-002
 Born           2  4.822986650663858E-005
 CALCTMAT: IE=           9  ATOM:           1
 energy:           9  (-0.378787878787879,9.948888292371438E-004)
 Born           0   1019.63653292089     
 Born           1  3.118936958697426E-002
 Born           2  4.802673673529144E-005
 CALCTMAT: IE=          10  ATOM:           1
 energy:          10  (-0.363636363636364,9.948888292371438E-004)
 Born           0   1016.03961330678     
 Born           1  3.105770238638413E-002
 Born           2  4.783285091708556E-005
 CALCTMAT: IE=          11  ATOM:           1
 energy:          11  (-0.348484848484849,9.948888292371438E-004)
 Born           0   1012.72374528887     
 Born           1  3.093216865309337E-002
 Born           2  4.764878447951649E-005
 CALCTMAT: IE=          12  ATOM:           1
 energy:          12  (-0.333333333333333,9.948888292371438E-004)
 Born           0   1009.70771456517     
 Born           1  3.081316844115014E-002
 Born           2  4.747518005631287E-005
 CALCTMAT: IE=          13  ATOM:           1
 energy:          13  (-0.318181818181818,9.948888292371438E-004)
 Born           0   1007.01254675984     
 Born           1  3.070114973171401E-002
 Born           2  4.731275763969090E-005
 CALCTMAT: IE=          14  ATOM:           1
 energy:          14  (-0.303030303030303,9.948888292371438E-004)
 Born           0   1004.66184424526     
 Born           1  3.059661566436651E-002
 Born           2  4.716232584305299E-005
 CALCTMAT: IE=          15  ATOM:           1
 energy:          15  (-0.287878787878788,9.948888292371438E-004)
 Born           0   1002.68218573148     
 Born           1  3.050013311973974E-002
 Born           2  4.702479602158451E-005
 CALCTMAT: IE=          16  ATOM:           1
 energy:          16  (-0.272727272727273,9.948888292371438E-004)
 Born           0   1001.10360272295     
 Born           1  3.041234295779062E-002
 Born           2  4.690119831932464E-005
 CALCTMAT: IE=          17  ATOM:           1
 energy:          17  (-0.257575757575758,9.948888292371438E-004)
 Born           0   999.960150688347     
 Born           1  3.033397229655666E-002
 Born           2  4.679270182865337E-005
 CALCTMAT: IE=          18  ATOM:           1
 energy:          18  (-0.242424242424242,9.948888292371438E-004)
 Born           0   999.290597696081     
 Born           1  3.026584932324855E-002
 Born           2  4.670063803602931E-005
 CALCTMAT: IE=          19  ATOM:           1
 energy:          19  (-0.227272727272727,9.948888292371438E-004)
 Born           0   999.139259750781     
 Born           1  3.020892126957148E-002
 Born           2  4.662652993156112E-005
 CALCTMAT: IE=          20  ATOM:           1
 energy:          20  (-0.212121212121212,9.948888292371438E-004)
 Born           0   999.557020709638     
 Born           1  3.016427636963216E-002
 Born           2  4.657212699035386E-005
 CALCTMAT: IE=          21  ATOM:           1
 energy:          21  (-0.196969696969697,9.948888292371438E-004)
 Born           0   1000.60258629769     
 Born           1  3.013317087245851E-002
 Born           2  4.653944875143114E-005
 CALCTMAT: IE=          22  ATOM:           1
 energy:          22  (-0.181818181818182,9.948888292371438E-004)
 Born           0   1002.34403758340     
 Born           1  3.011706252292521E-002
 Born           2  4.653083834269966E-005
 CALCTMAT: IE=          23  ATOM:           1
 energy:          23  (-0.166666666666667,9.948888292371438E-004)
 Born           0   1004.86077108883     
 Born           1  3.011765239952277E-002
 Born           2  4.654902955796455E-005
 CALCTMAT: IE=          24  ATOM:           1
 energy:          24  (-0.151515151515151,9.948888292371438E-004)
 Born           0   1008.24594312208     
 Born           1  3.013693765587113E-002
 Born           2  4.659723136235975E-005
 CALCTMAT: IE=          25  ATOM:           1
 energy:          25  (-0.136363636363636,9.948888292371438E-004)
 Born           0   1012.60957891525     
 Born           1  3.017727864578897E-002
 Born           2  4.667923520784930E-005
 CALCTMAT: IE=          26  ATOM:           1
 energy:          26  (-0.121212121212121,9.948888292371438E-004)
 Born           0   1018.08256887421     
 Born           1  3.024148524917815E-002
 Born           2  4.679955273022115E-005
 CALCTMAT: IE=          27  ATOM:           1
 energy:          27  (-0.106060606060606,9.948888292371438E-004)
 Born           0   1024.82186440021     
 Born           1  3.033292916412065E-002
 Born           2  4.696359474751653E-005
 CALCTMAT: IE=          28  ATOM:           1
 energy:          28  (-9.090909090909090E-002,9.948888292371438E-004)
 Born           0   1033.01732007067     
 Born           1  3.045569181817092E-002
 Born           2  4.717790586701975E-005
 CALCTMAT: IE=          29  ATOM:           1
 energy:          29  (-7.575757575757575E-002,9.948888292371438E-004)
 Born           0   1042.90083391764     
 Born           1  3.061476189906940E-002
 Born           2  4.745047584568901E-005
 CALCTMAT: IE=          30  ATOM:           1
 energy:          30  (-6.060606060606059E-002,9.948888292371438E-004)
 Born           0   1054.75875971676     
 Born           1  3.081630311386503E-002
 Born           2  4.779115558514242E-005
 CALCTMAT: IE=          31  ATOM:           1
 energy:          31  (-4.545454545454544E-002,9.948888292371438E-004)
 Born           0   1068.94909289426     
 Born           1  3.106802257828363E-002
 Born           2  4.821221212960574E-005
 CALCTMAT: IE=          32  ATOM:           1
 energy:          32  (-3.030303030303029E-002,9.948888292371438E-004)
 Born           0   1085.92585471869     
 Born           1  3.137968114451693E-002
 Born           2  4.872902054771215E-005
 CALCTMAT: IE=          33  ATOM:           1
 energy:          33  (-1.515151515151514E-002,9.948888292371438E-004)
 Born           0   1106.27494518624     
 Born           1  3.176374514007353E-002
 Born           2  4.936039717873680E-005
 CALCTMAT: IE=          34  ATOM:           1
 energy:          34  (1.387778780781446E-017,9.948888292371438E-004)
 Born           0   1130.77134930412     
 Born           1  3.222836075656194E-002
 Born           2  5.007603363537670E-005
 CALCTMAT: IE=          35  ATOM:           1
 energy:          35  (1.515151515151517E-002,9.948888292371438E-004)
 Born           0   1160.47490771462     
 Born           1  3.276048110795796E-002
 Born           2  5.067433096803709E-005
 CALCTMAT: IE=          36  ATOM:           1
 energy:          36  (3.030303030303032E-002,9.948888292371438E-004)
 Born           0   1196.75953935323     
 Born           1  3.345953663117024E-002
 Born           2  5.165908488320229E-005
 CALCTMAT: IE=          37  ATOM:           1
 energy:          37  (4.545454545454547E-002,9.948888292371438E-004)
 Born           0   1241.48762614676     
 Born           1  3.434509627866951E-002
 Born           2  5.296034800816557E-005
 CALCTMAT: IE=          38  ATOM:           1
 energy:          38  (6.060606060606062E-002,9.948888292371438E-004)
 Born           0   1297.31750732258     
 Born           1  3.547049908478874E-002
 Born           2  5.464455630836487E-005
 CALCTMAT: IE=          39  ATOM:           1
 energy:          39  (7.575757575757577E-002,9.948888292371438E-004)
 Born           0   1368.17965798031     
 Born           1  3.691776318093393E-002
 Born           2  5.683036240282887E-005
 CALCTMAT: IE=          40  ATOM:           1
 energy:          40  (9.090909090909093E-002,9.948888292371438E-004)
 Born           0   1460.13875723856     
 Born           1  3.881448947034014E-002
 Born           2  5.970746091232476E-005
 CALCTMAT: IE=          41  ATOM:           1
 energy:          41  (0.106060606060606,9.948888292371438E-004)
 Born           0   1583.06567090978     
 Born           1  4.136868390755696E-002
 Born           2  6.358639337514242E-005
 CALCTMAT: IE=          42  ATOM:           1
 energy:          42  (0.121212121212121,9.948888292371438E-004)
 Born           0   1754.17084365384     
 Born           1  4.494272472839501E-002
 Born           2  6.900617615262842E-005
 CALCTMAT: IE=          43  ATOM:           1
 energy:          43  (0.136363636363636,9.948888292371438E-004)
 Born           0   2006.36150500391     
 Born           1  5.022796856271315E-002
 Born           2  7.698636217057170E-005
 CALCTMAT: IE=          44  ATOM:           1
 energy:          44  (0.151515151515152,9.948888292371438E-004)
 Born           0   2411.33370777454     
 Born           1  5.872510621270848E-002
 Born           2  8.970875002683825E-005
 CALCTMAT: IE=          45  ATOM:           1
 energy:          45  (0.166666666666667,9.948888292371438E-004)
 Born           0   3160.01122420724     
 Born           1  7.440541686321081E-002
 Born           2  1.128083244066615E-004
 CALCTMAT: IE=          46  ATOM:           1
 energy:          46  (0.181818181818182,9.948888292371438E-004)
 Born           0   4977.65397169942     
 Born           1  0.112167920399429     
 Born           2  1.664013331027632E-004
 CALCTMAT: IE=          47  ATOM:           1
 energy:          47  (0.196969696969697,9.948888292371438E-004)
 Born           0   13980.3714486463     
 Born           1  0.294038203449494     
 Born           2  4.019230470855555E-004
 CALCTMAT: IE=          48  ATOM:           1
 energy:          48  (0.212121212121212,9.948888292371438E-004)
 Born           0   8019.00238528819     
 Born           1  0.170147027643539     
 Born           2  3.006365484364545E-004
 CALCTMAT: IE=          49  ATOM:           1
 energy:          49  (0.227272727272727,9.948888292371438E-004)
 Born           0   3039.77034729552     
 Born           1  5.889407933943371E-002
 Born           2  9.963751124844067E-005
 CALCTMAT: IE=          50  ATOM:           1
 energy:          50  (0.242424242424242,9.948888292371438E-004)
 Born           0   1694.31788677437     
 Born           1  2.949858579655986E-002
 Born           2  4.981313659834528E-005
 CALCTMAT: IE=          51  ATOM:           1
 energy:          51  (0.257575757575758,9.948888292371438E-004)
 Born           0   1080.05173805883     
 Born           1  1.620131975942769E-002
 Born           2  2.780393905294144E-005
 CALCTMAT: IE=          52  ATOM:           1
 energy:          52  (0.272727272727273,9.948888292371438E-004)
 Born           0   730.531614185045     
 Born           1  8.681905729702039E-003
 Born           2  1.550982872225683E-005
 CALCTMAT: IE=          53  ATOM:           1
 energy:          53  (0.287878787878788,9.948888292371438E-004)
 Born           0   506.045347840043     
 Born           1  3.879357992515093E-003
 Born           2  7.715186324753423E-006
 CALCTMAT: IE=          54  ATOM:           1
 energy:          54  (0.303030303030303,9.948888292371438E-004)
 Born           0   351.355265211622     
 Born           1  6.446332205187157E-004
 Born           2  2.646569602603078E-006
 CALCTMAT: IE=          55  ATOM:           1
 energy:          55  (0.318181818181818,9.948888292371438E-004)
 Born           0   343.695724225408     
 Born           1  1.856481692709260E-003
 Born           2  1.537933556242657E-006
 CALCTMAT: IE=          56  ATOM:           1
 energy:          56  (0.333333333333333,9.948888292371438E-004)
 Born           0   338.596639688488     
 Born           1  3.671821121273215E-003
 Born           2  4.444317288987619E-006
 CALCTMAT: IE=          57  ATOM:           1
 energy:          57  (0.348484848484849,9.948888292371438E-004)
 Born           0   333.451070834628     
 Born           1  5.084001278513289E-003
 Born           2  6.705995078157423E-006
 CALCTMAT: IE=          58  ATOM:           1
 energy:          58  (0.363636363636364,9.948888292371438E-004)
 Born           0   328.266849405770     
 Born           1  6.205727668078091E-003
 Born           2  8.500460700109019E-006
 CALCTMAT: IE=          59  ATOM:           1
 energy:          59  (0.378787878787879,9.948888292371438E-004)
 Born           0   323.051646919473     
 Born           1  7.112067444159041E-003
 Born           2  9.949155057977453E-006
 CALCTMAT: IE=          60  ATOM:           1
 energy:          60  (0.393939393939394,9.948888292371438E-004)
 Born           0   317.812939874920     
 Born           1  7.854454549986740E-003
 Born           2  1.113520477715780E-005
 CALCTMAT: IE=          61  ATOM:           1
 energy:          61  (0.409090909090909,9.948888292371438E-004)
 Born           0   312.557978877769     
 Born           1  8.469256538979572E-003
 Born           2  1.211726269427420E-005
 CALCTMAT: IE=          62  ATOM:           1
 energy:          62  (0.424242424242424,9.948888292371438E-004)
 Born           0   307.293761756517     
 Born           1  8.982900127827490E-003
 Born           2  1.293786217313219E-005
 CALCTMAT: IE=          63  ATOM:           1
 energy:          63  (0.439393939393939,9.948888292371438E-004)
 Born           0   302.027010671661     
 Born           1  9.415043909422861E-003
 Born           2  1.362858460254890E-005
 CALCTMAT: IE=          64  ATOM:           1
 energy:          64  (0.454545454545455,9.948888292371438E-004)
 Born           0   296.764153154723     
 Born           1  9.780610656503529E-003
 Born           2  1.421336332796588E-005
 CALCTMAT: IE=          65  ATOM:           1
 energy:          65  (0.469696969696970,9.948888292371438E-004)
 Born           0   291.511306958028     
 Born           1  1.009112951002753E-002
 Born           2  1.471066102400639E-005
 CALCTMAT: IE=          66  ATOM:           1
 energy:          66  (0.484848484848485,9.948888292371438E-004)
 Born           0   286.274268548547     
 Born           1  1.035564652995783E-002
 Born           2  1.513494409688446E-005
 CALCTMAT: IE=          67  ATOM:           1
 energy:          67  (0.500000000000000,9.948888292371438E-004)
 Born           0   281.058505040356     
 Born           1  1.058135721099578E-002
 Born           2  1.549770500219891E-005
 CALCTMAT: IE=          68  ATOM:           1
 energy:          68  (0.515151515151515,9.948888292371438E-004)
 Born           0   275.869149330025     
 Born           1  1.077405516790112E-002
 Born           2  1.580818639448156E-005
 CALCTMAT: IE=          69  ATOM:           1
 energy:          69  (0.530303030303030,9.948888292371438E-004)
 Born           0   270.710998177441     
 Born           1  1.093845641857733E-002
 Born           2  1.607390357736274E-005
 CALCTMAT: IE=          70  ATOM:           1
 energy:          70  (0.545454545454546,9.948888292371438E-004)
 Born           0   265.588512960237     
 Born           1  1.107843771503850E-002
 Born           2  1.630102817177810E-005
 CALCTMAT: IE=          71  ATOM:           1
 energy:          71  (0.560606060606061,9.948888292371438E-004)
 Born           0   260.505822822749     
 Born           1  1.119721436770125E-002
 Born           2  1.649467384155088E-005
 CALCTMAT: IE=          72  ATOM:           1
 energy:          72  (0.575757575757576,9.948888292371438E-004)
 Born           0   255.466729939197     
 Born           1  1.129747475136269E-002
 Born           2  1.665911230746129E-005
 CALCTMAT: IE=          73  ATOM:           1
 energy:          73  (0.590909090909091,9.948888292371438E-004)
 Born           0   250.474716614899     
 Born           1  1.138148331955017E-002
 Born           2  1.679793850882366E-005
 CALCTMAT: IE=          74  ATOM:           1
 energy:          74  (0.606060606060606,9.948888292371438E-004)
 Born           0   245.532953957739     
 Born           1  1.145116040259893E-002
 Born           2  1.691419855148960E-005
 CALCTMAT: IE=          75  ATOM:           1
 energy:          75  (0.621212121212121,9.948888292371438E-004)
 Born           0   246.038530805868     
 Born           1  1.150814467065872E-002
 Born           2  1.701048961854941E-005
 CALCTMAT: IE=          76  ATOM:           1
 energy:          76  (0.636363636363636,9.948888292371438E-004)
 Born           0   249.667947056329     
 Born           1  1.155384249914091E-002
 Born           2  1.708903893727267E-005
 CALCTMAT: IE=          77  ATOM:           1
 energy:          77  (0.651515151515152,9.948888292371438E-004)
 Born           0   252.817558028570     
 Born           1  1.158946733087143E-002
 Born           2  1.715176678862354E-005
 CALCTMAT: IE=          78  ATOM:           1
 energy:          78  (0.666666666666667,9.948888292371438E-004)
 Born           0   255.536904936420     
 Born           1  1.161607132132634E-002
 Born           2  1.720033688565844E-005
 CALCTMAT: IE=          79  ATOM:           1
 energy:          79  (0.681818181818182,9.948888292371438E-004)
 Born           0   257.869190140403     
 Born           1  1.163457097475159E-002
 Born           2  1.723619744799706E-005
 CALCTMAT: IE=          80  ATOM:           1
 energy:          80  (0.696969696969697,9.948888292371438E-004)
 Born           0   259.852251604983     
 Born           1  1.164576806051501E-002
 Born           2  1.726061445880017E-005
 CALCTMAT: IE=          81  ATOM:           1
 energy:          81  (0.712121212121212,9.948888292371438E-004)
 Born           0   261.519363487806     
 Born           1  1.165036679258523E-002
 Born           2  1.727469902199460E-005
 CALCTMAT: IE=          82  ATOM:           1
 energy:          82  (0.727272727272727,9.948888292371438E-004)
 Born           0   262.899897981922     
 Born           1  1.164898802737823E-002
 Born           2  1.727943011177915E-005
 CALCTMAT: IE=          83  ATOM:           1
 energy:          83  (0.742424242424242,9.948888292371438E-004)
 Born           0   264.019875653700     
 Born           1  1.164218106644656E-002
 Born           2  1.727567315317794E-005
 CALCTMAT: IE=          84  ATOM:           1
 energy:          84  (0.757575757575758,9.948888292371438E-004)
 Born           0   264.902425574446     
 Born           1  1.163043352150366E-002
 Born           2  1.726419593129158E-005
 CALCTMAT: IE=          85  ATOM:           1
 energy:          85  (0.772727272727273,9.948888292371438E-004)
 Born           0   265.568172019288     
 Born           1  1.161417960285158E-002
 Born           2  1.724568165522253E-005
 CALCTMAT: IE=          86  ATOM:           1
 energy:          86  (0.787878787878788,9.948888292371438E-004)
 Born           0   266.035561035702     
 Born           1  1.159380711677760E-002
 Born           2  1.722074003986484E-005
 CALCTMAT: IE=          87  ATOM:           1
 energy:          87  (0.803030303030303,9.948888292371438E-004)
 Born           0   266.321137500440     
 Born           1  1.156966340042719E-002
 Born           2  1.718991682800205E-005
 CALCTMAT: IE=          88  ATOM:           1
 energy:          88  (0.818181818181818,9.948888292371438E-004)
 Born           0   266.439781193959     
 Born           1  1.154206037696587E-002
 Born           2  1.715370174155106E-005
 CALCTMAT: IE=          89  ATOM:           1
 energy:          89  (0.833333333333333,9.948888292371438E-004)
 Born           0   266.404908783286     
 Born           1  1.151127887974675E-002
 Born           2  1.711253543125616E-005
 CALCTMAT: IE=          90  ATOM:           1
 energy:          90  (0.848484848484849,9.948888292371438E-004)
 Born           0   266.228647311654     
 Born           1  1.147757236491369E-002
 Born           2  1.706681525663418E-005
 CALCTMAT: IE=          91  ATOM:           1
 energy:          91  (0.863636363636364,9.948888292371438E-004)
 Born           0   265.921983767145     
 Born           1  1.144117011128619E-002
 Born           2  1.701690037627620E-005
 CALCTMAT: IE=          92  ATOM:           1
 energy:          92  (0.878787878787879,9.948888292371438E-004)
 Born           0   265.494894483249     
 Born           1  1.140227998763842E-002
 Born           2  1.696311622549286E-005
 CALCTMAT: IE=          93  ATOM:           1
 energy:          93  (0.893939393939394,9.948888292371438E-004)
 Born           0   264.956457466463     
 Born           1  1.136109085414412E-002
 Born           2  1.690575823495940E-005
 CALCTMAT: IE=          94  ATOM:           1
 energy:          94  (0.909090909090909,9.948888292371438E-004)
 Born           0   264.314950215121     
 Born           1  1.131777465277419E-002
 Born           2  1.684509514772217E-005
 CALCTMAT: IE=          95  ATOM:           1
 energy:          95  (0.924242424242424,9.948888292371438E-004)
 Born           0   263.577935163077     
 Born           1  1.127248823254980E-002
 Born           2  1.678137195239722E-005
 CALCTMAT: IE=          96  ATOM:           1
 energy:          96  (0.939393939393939,9.948888292371438E-004)
 Born           0   262.752334530824     
 Born           1  1.122537494791081E-002
 Born           2  1.671481231363390E-005
 CALCTMAT: IE=          97  ATOM:           1
 energy:          97  (0.954545454545455,9.948888292371438E-004)
 Born           0   261.844496079338     
 Born           1  1.117656606218825E-002
 Born           2  1.664562092120287E-005
 CALCTMAT: IE=          98  ATOM:           1
 energy:          98  (0.969696969696970,9.948888292371438E-004)
 Born           0   260.860251025640     
 Born           1  1.112618198325758E-002
 Born           2  1.657398535816285E-005
 CALCTMAT: IE=          99  ATOM:           1
 energy:          99  (0.984848484848485,9.948888292371438E-004)
 Born           0   259.804965183951     
 Born           1  1.107433335406740E-002
 Born           2  1.650007783087494E-005
 CALCTMAT: IE=         100  ATOM:           1
 energy:         100  (1.00000000000000,9.948888292371438E-004)
 Born           0   258.683584234582     
 Born           1  1.102112201766968E-002
 Born           2  1.642405670027665E-005
           0 start tbref e-loop
TBREF: GREF for energy:    1   -0.50000000    0.00099489
TBREF: GREF for energy:    2   -0.48484848    0.00099489
TBREF: GREF for energy:    3   -0.46969697    0.00099489
TBREF: GREF for energy:    4   -0.45454545    0.00099489
TBREF: GREF for energy:    5   -0.43939394    0.00099489
TBREF: GREF for energy:    6   -0.42424242    0.00099489
TBREF: GREF for energy:    7   -0.40909091    0.00099489
TBREF: GREF for energy:    8   -0.39393939    0.00099489
TBREF: GREF for energy:    9   -0.37878788    0.00099489
TBREF: GREF for energy:   10   -0.36363636    0.00099489
TBREF: GREF for energy:   11   -0.34848485    0.00099489
TBREF: GREF for energy:   12   -0.33333333    0.00099489
TBREF: GREF for energy:   13   -0.31818182    0.00099489
TBREF: GREF for energy:   14   -0.30303030    0.00099489
TBREF: GREF for energy:   15   -0.28787879    0.00099489
TBREF: GREF for energy:   16   -0.27272727    0.00099489
TBREF: GREF for energy:   17   -0.25757576    0.00099489
TBREF: GREF for energy:   18   -0.24242424    0.00099489
TBREF: GREF for energy:   19   -0.22727273    0.00099489
TBREF: GREF for energy:   20   -0.21212121    0.00099489
TBREF: GREF for energy:   21   -0.19696970    0.00099489
TBREF: GREF for energy:   22   -0.18181818    0.00099489
TBREF: GREF for energy:   23   -0.16666667    0.00099489
TBREF: GREF for energy:   24   -0.15151515    0.00099489
TBREF: GREF for energy:   25   -0.13636364    0.00099489
TBREF: GREF for energy:   26   -0.12121212    0.00099489
TBREF: GREF for energy:   27   -0.10606061    0.00099489
TBREF: GREF for energy:   28   -0.09090909    0.00099489
TBREF: GREF for energy:   29   -0.07575758    0.00099489
TBREF: GREF for energy:   30   -0.06060606    0.00099489
TBREF: GREF for energy:   31   -0.04545455    0.00099489
TBREF: GREF for energy:   32   -0.03030303    0.00099489
TBREF: GREF for energy:   33   -0.01515152    0.00099489
TBREF: GREF for energy:   34    0.00000000    0.00099489
TBREF: GREF for energy:   35    0.01515152    0.00099489
TBREF: GREF for energy:   36    0.03030303    0.00099489
TBREF: GREF for energy:   37    0.04545455    0.00099489
TBREF: GREF for energy:   38    0.06060606    0.00099489
TBREF: GREF for energy:   39    0.07575758    0.00099489
TBREF: GREF for energy:   40    0.09090909    0.00099489
TBREF: GREF for energy:   41    0.10606061    0.00099489
TBREF: GREF for energy:   42    0.12121212    0.00099489
TBREF: GREF for energy:   43    0.13636364    0.00099489
TBREF: GREF for energy:   44    0.15151515    0.00099489
TBREF: GREF for energy:   45    0.16666667    0.00099489
TBREF: GREF for energy:   46    0.18181818    0.00099489
TBREF: GREF for energy:   47    0.19696970    0.00099489
TBREF: GREF for energy:   48    0.21212121    0.00099489
TBREF: GREF for energy:   49    0.22727273    0.00099489
TBREF: GREF for energy:   50    0.24242424    0.00099489
TBREF: GREF for energy:   51    0.25757576    0.00099489
TBREF: GREF for energy:   52    0.27272727    0.00099489
TBREF: GREF for energy:   53    0.28787879    0.00099489
TBREF: GREF for energy:   54    0.30303030    0.00099489
TBREF: GREF for energy:   55    0.31818182    0.00099489
TBREF: GREF for energy:   56    0.33333333    0.00099489
TBREF: GREF for energy:   57    0.34848485    0.00099489
TBREF: GREF for energy:   58    0.36363636    0.00099489
TBREF: GREF for energy:   59    0.37878788    0.00099489
TBREF: GREF for energy:   60    0.39393939    0.00099489
TBREF: GREF for energy:   61    0.40909091    0.00099489
TBREF: GREF for energy:   62    0.42424242    0.00099489
TBREF: GREF for energy:   63    0.43939394    0.00099489
TBREF: GREF for energy:   64    0.45454545    0.00099489
TBREF: GREF for energy:   65    0.46969697    0.00099489
TBREF: GREF for energy:   66    0.48484848    0.00099489
TBREF: GREF for energy:   67    0.50000000    0.00099489
TBREF: GREF for energy:   68    0.51515152    0.00099489
TBREF: GREF for energy:   69    0.53030303    0.00099489
TBREF: GREF for energy:   70    0.54545455    0.00099489
TBREF: GREF for energy:   71    0.56060606    0.00099489
TBREF: GREF for energy:   72    0.57575758    0.00099489
TBREF: GREF for energy:   73    0.59090909    0.00099489
TBREF: GREF for energy:   74    0.60606061    0.00099489
TBREF: GREF for energy:   75    0.62121212    0.00099489
TBREF: GREF for energy:   76    0.63636364    0.00099489
TBREF: GREF for energy:   77    0.65151515    0.00099489
TBREF: GREF for energy:   78    0.66666667    0.00099489
TBREF: GREF for energy:   79    0.68181818    0.00099489
TBREF: GREF for energy:   80    0.69696970    0.00099489
TBREF: GREF for energy:   81    0.71212121    0.00099489
TBREF: GREF for energy:   82    0.72727273    0.00099489
TBREF: GREF for energy:   83    0.74242424    0.00099489
TBREF: GREF for energy:   84    0.75757576    0.00099489
TBREF: GREF for energy:   85    0.77272727    0.00099489
TBREF: GREF for energy:   86    0.78787879    0.00099489
TBREF: GREF for energy:   87    0.80303030    0.00099489
TBREF: GREF for energy:   88    0.81818182    0.00099489
TBREF: GREF for energy:   89    0.83333333    0.00099489
TBREF: GREF for energy:   90    0.84848485    0.00099489
TBREF: GREF for energy:   91    0.86363636    0.00099489
TBREF: GREF for energy:   92    0.87878788    0.00099489
TBREF: GREF for energy:   93    0.89393939    0.00099489
TBREF: GREF for energy:   94    0.90909091    0.00099489
TBREF: GREF for energy:   95    0.92424242    0.00099489
TBREF: GREF for energy:   96    0.93939394    0.00099489
TBREF: GREF for energy:   97    0.95454545    0.00099489
TBREF: GREF for energy:   98    0.96969697    0.00099489
TBREF: GREF for energy:   99    0.98484848    0.00099489
TBREF: GREF for energy:  100    1.00000000    0.00099489
===============================================================================
                              < KKR1a finished >
===============================================================================

===============================================================================
      Inversion algorithm used : FULL MATRIX                        
===============================================================================
 ************ IE =   1 ENERGY =  -0.500000   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =   2 ENERGY =  -0.484848   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =   3 ENERGY =  -0.469697   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =   4 ENERGY =  -0.454545   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =   5 ENERGY =  -0.439394   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =   6 ENERGY =  -0.424242   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =   7 ENERGY =  -0.409091   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =   8 ENERGY =  -0.393939   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =   9 ENERGY =  -0.378788   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  10 ENERGY =  -0.363636   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  11 ENERGY =  -0.348485   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  12 ENERGY =  -0.333333   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  13 ENERGY =  -0.318182   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  14 ENERGY =  -0.303030   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  15 ENERGY =  -0.287879   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  16 ENERGY =  -0.272727   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  17 ENERGY =  -0.257576   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  18 ENERGY =  -0.242424   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  19 ENERGY =  -0.227273   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  20 ENERGY =  -0.212121   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  21 ENERGY =  -0.196970   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  22 ENERGY =  -0.181818   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  23 ENERGY =  -0.166667   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  24 ENERGY =  -0.151515   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  25 ENERGY =  -0.136364   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  26 ENERGY =  -0.121212   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  27 ENERGY =  -0.106061   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  28 ENERGY =  -0.090909   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  29 ENERGY =  -0.075758   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  30 ENERGY =  -0.060606   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  31 ENERGY =  -0.045455   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  32 ENERGY =  -0.030303   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  33 ENERGY =  -0.015152   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  34 ENERGY =   0.000000   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  35 ENERGY =   0.015152   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  36 ENERGY =   0.030303   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  37 ENERGY =   0.045455   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  38 ENERGY =   0.060606   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  39 ENERGY =   0.075758   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  40 ENERGY =   0.090909   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  41 ENERGY =   0.106061   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  42 ENERGY =   0.121212   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  43 ENERGY =   0.136364   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  44 ENERGY =   0.151515   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  45 ENERGY =   0.166667   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  46 ENERGY =   0.181818   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  47 ENERGY =   0.196970   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  48 ENERGY =   0.212121   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  49 ENERGY =   0.227273   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  50 ENERGY =   0.242424   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  51 ENERGY =   0.257576   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  52 ENERGY =   0.272727   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  53 ENERGY =   0.287879   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  54 ENERGY =   0.303030   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  55 ENERGY =   0.318182   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  56 ENERGY =   0.333333   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  57 ENERGY =   0.348485   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  58 ENERGY =   0.363636   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  59 ENERGY =   0.378788   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  60 ENERGY =   0.393939   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  61 ENERGY =   0.409091   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  62 ENERGY =   0.424242   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  63 ENERGY =   0.439394   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  64 ENERGY =   0.454545   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  65 ENERGY =   0.469697   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  66 ENERGY =   0.484848   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  67 ENERGY =   0.500000   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  68 ENERGY =   0.515152   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  69 ENERGY =   0.530303   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  70 ENERGY =   0.545455   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  71 ENERGY =   0.560606   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  72 ENERGY =   0.575758   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  73 ENERGY =   0.590909   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  74 ENERGY =   0.606061   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  75 ENERGY =   0.621212   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  76 ENERGY =   0.636364   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  77 ENERGY =   0.651515   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  78 ENERGY =   0.666667   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  79 ENERGY =   0.681818   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  80 ENERGY =   0.696970   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  81 ENERGY =   0.712121   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  82 ENERGY =   0.727273   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  83 ENERGY =   0.742424   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  84 ENERGY =   0.757576   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  85 ENERGY =   0.772727   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  86 ENERGY =   0.787879   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  87 ENERGY =   0.803030   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  88 ENERGY =   0.818182   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  89 ENERGY =   0.833333   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  90 ENERGY =   0.848485   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  91 ENERGY =   0.863636   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  92 ENERGY =   0.878788   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  93 ENERGY =   0.893939   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  94 ENERGY =   0.909091   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  95 ENERGY =   0.924242   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  96 ENERGY =   0.939394   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  97 ENERGY =   0.954545   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  98 ENERGY =   0.969697   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  99 ENERGY =   0.984848   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE = 100 ENERGY =   1.000000   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
===============================================================================
      Inversion algorithm used : FULL MATRIX                        
===============================================================================
 ************ IE =   1 ENERGY =  -0.500000   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =   2 ENERGY =  -0.484848   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =   3 ENERGY =  -0.469697   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =   4 ENERGY =  -0.454545   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =   5 ENERGY =  -0.439394   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =   6 ENERGY =  -0.424242   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =   7 ENERGY =  -0.409091   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =   8 ENERGY =  -0.393939   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =   9 ENERGY =  -0.378788   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  10 ENERGY =  -0.363636   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  11 ENERGY =  -0.348485   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  12 ENERGY =  -0.333333   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  13 ENERGY =  -0.318182   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  14 ENERGY =  -0.303030   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  15 ENERGY =  -0.287879   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  16 ENERGY =  -0.272727   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  17 ENERGY =  -0.257576   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  18 ENERGY =  -0.242424   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  19 ENERGY =  -0.227273   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  20 ENERGY =  -0.212121   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  21 ENERGY =  -0.196970   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  22 ENERGY =  -0.181818   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  23 ENERGY =  -0.166667   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  24 ENERGY =  -0.151515   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  25 ENERGY =  -0.136364   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  26 ENERGY =  -0.121212   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  27 ENERGY =  -0.106061   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  28 ENERGY =  -0.090909   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  29 ENERGY =  -0.075758   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  30 ENERGY =  -0.060606   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  31 ENERGY =  -0.045455   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  32 ENERGY =  -0.030303   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  33 ENERGY =  -0.015152   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  34 ENERGY =   0.000000   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  35 ENERGY =   0.015152   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  36 ENERGY =   0.030303   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  37 ENERGY =   0.045455   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  38 ENERGY =   0.060606   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  39 ENERGY =   0.075758   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  40 ENERGY =   0.090909   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  41 ENERGY =   0.106061   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  42 ENERGY =   0.121212   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  43 ENERGY =   0.136364   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  44 ENERGY =   0.151515   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  45 ENERGY =   0.166667   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  46 ENERGY =   0.181818   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  47 ENERGY =   0.196970   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  48 ENERGY =   0.212121   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  49 ENERGY =   0.227273   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  50 ENERGY =   0.242424   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  51 ENERGY =   0.257576   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  52 ENERGY =   0.272727   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  53 ENERGY =   0.287879   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  54 ENERGY =   0.303030   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  55 ENERGY =   0.318182   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  56 ENERGY =   0.333333   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  57 ENERGY =   0.348485   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  58 ENERGY =   0.363636   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  59 ENERGY =   0.378788   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  60 ENERGY =   0.393939   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  61 ENERGY =   0.409091   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  62 ENERGY =   0.424242   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  63 ENERGY =   0.439394   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  64 ENERGY =   0.454545   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  65 ENERGY =   0.469697   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  66 ENERGY =   0.484848   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  67 ENERGY =   0.500000   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  68 ENERGY =   0.515152   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  69 ENERGY =   0.530303   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  70 ENERGY =   0.545455   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  71 ENERGY =   0.560606   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  72 ENERGY =   0.575758   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  73 ENERGY =   0.590909   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  74 ENERGY =   0.606061   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  75 ENERGY =   0.621212   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  76 ENERGY =   0.636364   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  77 ENERGY =   0.651515   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  78 ENERGY =   0.666667   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  79 ENERGY =   0.681818   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  80 ENERGY =   0.696970   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  81 ENERGY =   0.712121   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  82 ENERGY =   0.727273   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  83 ENERGY =   0.742424   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  84 ENERGY =   0.757576   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  85 ENERGY =   0.772727   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  86 ENERGY =   0.787879   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  87 ENERGY =   0.803030   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  88 ENERGY =   0.818182   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  89 ENERGY =   0.833333   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  90 ENERGY =   0.848485   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  91 ENERGY =   0.863636   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  92 ENERGY =   0.878788   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  93 ENERGY =   0.893939   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  94 ENERGY =   0.909091   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  95 ENERGY =   0.924242   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  96 ENERGY =   0.939394   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  97 ENERGY =   0.954545   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  98 ENERGY =   0.969697   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE =  99 ENERGY =   0.984848   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
 ************ IE = 100 ENERGY =   1.000000   0.000995 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||
===============================================================================
                              < KKR1b finished >
===============================================================================

 atom           1
 energy           1 (-0.500000000000000,9.948888292371438E-004)
 Born           0   1056.82292893263     
 Born           1  3.242720877841294E-002
 Born           2  4.987304086562129E-005
 energy           2 (-0.484848484848485,9.948888292371438E-004)
 Born           0   1051.46249639291     
 Born           1  3.225678498033930E-002
 Born           2  4.961714943571746E-005
 energy           3 (-0.469696969696970,9.948888292371438E-004)
 Born           0   1046.28660770443     
 Born           1  3.209044348330916E-002
 Born           2  4.936778699068844E-005
 energy           4 (-0.454545454545455,9.948888292371438E-004)
 Born           0   1041.30358358123     
 Born           1  3.192836078743495E-002
 Born           2  4.912523588507680E-005
 energy           5 (-0.439393939393939,9.948888292371438E-004)
 Born           0   1036.52257103314     
 Born           1  3.177073101479232E-002
 Born           2  4.888980713807554E-005
 energy           6 (-0.424242424242424,9.948888292371438E-004)
 Born           0   1031.95364330412     
 Born           1  3.161776804873268E-002
 Born           2  4.866184347862364E-005
 energy           7 (-0.409090909090909,9.948888292371438E-004)
 Born           0   1027.60791471739     
 Born           1  3.146970799254114E-002
 Born           2  4.844172361144722E-005
 energy           8 (-0.393939393939394,9.948888292371438E-004)
 Born           0   1023.49767308792     
 Born           1  3.132681200577696E-002
 Born           2  4.822986650663858E-005
 energy           9 (-0.378787878787879,9.948888292371438E-004)
 Born           0   1019.63653292089     
 Born           1  3.118936958697426E-002
 Born           2  4.802673673529144E-005
 energy          10 (-0.363636363636364,9.948888292371438E-004)
 Born           0   1016.03961330678     
 Born           1  3.105770238638413E-002
 Born           2  4.783285091708556E-005
 energy          11 (-0.348484848484849,9.948888292371438E-004)
 Born           0   1012.72374528887     
 Born           1  3.093216865309337E-002
 Born           2  4.764878447951649E-005
 energy          12 (-0.333333333333333,9.948888292371438E-004)
 Born           0   1009.70771456517     
 Born           1  3.081316844115014E-002
 Born           2  4.747518005631287E-005
 energy          13 (-0.318181818181818,9.948888292371438E-004)
 Born           0   1007.01254675984     
 Born           1  3.070114973171401E-002
 Born           2  4.731275763969090E-005
 energy          14 (-0.303030303030303,9.948888292371438E-004)
 Born           0   1004.66184424526     
 Born           1  3.059661566436651E-002
 Born           2  4.716232584305299E-005
 energy          15 (-0.287878787878788,9.948888292371438E-004)
 Born           0   1002.68218573148     
 Born           1  3.050013311973974E-002
 Born           2  4.702479602158451E-005
 energy          16 (-0.272727272727273,9.948888292371438E-004)
 Born           0   1001.10360272295     
 Born           1  3.041234295779062E-002
 Born           2  4.690119831932464E-005
 energy          17 (-0.257575757575758,9.948888292371438E-004)
 Born           0   999.960150688347     
 Born           1  3.033397229655666E-002
 Born           2  4.679270182865337E-005
 energy          18 (-0.242424242424242,9.948888292371438E-004)
 Born           0   999.290597696081     
 Born           1  3.026584932324855E-002
 Born           2  4.670063803602931E-005
 energy          19 (-0.227272727272727,9.948888292371438E-004)
 Born           0   999.139259750781     
 Born           1  3.020892126957148E-002
 Born           2  4.662652993156112E-005
 energy          20 (-0.212121212121212,9.948888292371438E-004)
 Born           0   999.557020709638     
 Born           1  3.016427636963216E-002
 Born           2  4.657212699035386E-005
 energy          21 (-0.196969696969697,9.948888292371438E-004)
 Born           0   1000.60258629769     
 Born           1  3.013317087245851E-002
 Born           2  4.653944875143114E-005
 energy          22 (-0.181818181818182,9.948888292371438E-004)
 Born           0   1002.34403758340     
 Born           1  3.011706252292521E-002
 Born           2  4.653083834269966E-005
 energy          23 (-0.166666666666667,9.948888292371438E-004)
 Born           0   1004.86077108883     
 Born           1  3.011765239952277E-002
 Born           2  4.654902955796455E-005
 energy          24 (-0.151515151515151,9.948888292371438E-004)
 Born           0   1008.24594312208     
 Born           1  3.013693765587113E-002
 Born           2  4.659723136235975E-005
 energy          25 (-0.136363636363636,9.948888292371438E-004)
 Born           0   1012.60957891525     
 Born           1  3.017727864578897E-002
 Born           2  4.667923520784930E-005
 energy          26 (-0.121212121212121,9.948888292371438E-004)
 Born           0   1018.08256887421     
 Born           1  3.024148524917815E-002
 Born           2  4.679955273022115E-005
 energy          27 (-0.106060606060606,9.948888292371438E-004)
 Born           0   1024.82186440021     
 Born           1  3.033292916412065E-002
 Born           2  4.696359474751653E-005
 energy          28 (-9.090909090909090E-002,9.948888292371438E-004)
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 Born           1  1.107433335406740E-002
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 energy         100 (1.00000000000000,9.948888292371438E-004)
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############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne        
   ==========================
      1   s =  0.42660956
          p =  0.00015037
          d =  2.68375541
          ns  -0.00379849
          -------------------
          TOT  3.10671685
 
############################################
 
 Sum of valence charges of atoms (local summation)   3.10671684876822     
===============================================================================
                              < KKR1c finished >
===============================================================================

