# serial: kkrjm_v2.2-22-g4f8f5ff_openmp_20171208103325
 nth =          10
 atom:            1  NSRA:           2
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 nested omp? F
 energy:          16  (-0.286664808025843,0.222855097749120)
 energy:          21  (-6.327422567407816E-002,0.222855097749120)
 energy:          11  (-0.474400802708484,0.222855097749120)
 energy:          26  (0.144594885519059,0.222855097749120)
 energy:          42  (0.489952636567966,0.111427548874560)
 energy:          30  (0.267302387313301,0.222855097749120)
 energy:          34  (0.331197016457007,0.222855097749120)
 energy:           6  (-0.583474470069902,0.222855097749120)
 energy:          38  (0.476545823180105,0.222855097749120)
 energy:           7  (-0.569472745537679,0.222855097749120)
 energy:          35  (0.336661647264647,0.222855097749120)
 energy:          17  (-0.243246760741898,0.222855097749120)
 energy:          43  (0.489952636567966,7.959110633897150E-002)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          39  (0.489952636567966,0.206936876481326)
 energy:          31  (0.289322303092113,0.222855097749120)
 energy:          22  (-1.880841869013596E-002,0.222855097749120)
 energy:          27  (0.179921878271222,0.222855097749120)
 energy:          12  (-0.441977057703257,0.222855097749120)
 energy:          36  (0.355747187125027,0.222855097749120)
 energy:          44  (0.489952636567966,4.775466380338290E-002)
 energy:           8  (-0.551377482524148,0.222855097749120)
 energy:          18  (-0.198780953757956,0.222855097749120)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          40  (0.489952636567966,0.175100433945737)
 energy:          32  (0.307417566105645,0.222855097749120)
 energy:          13  (-0.406650064951094,0.222855097749120)
 energy:          28  (0.212345623276450,0.222855097749120)
 energy:          23  (2.460962859380869E-002,0.222855097749120)
 energy:          37  (0.416810090417617,0.222855097749120)
 energy:          45  (0.489952636567966,1.591822126779430E-002)
 energy:           4  (-0.598716826696681,0.222855097749120)
 energy:           9  (-0.529357566745335,0.222855097749120)
 energy:          41  (0.489952636567966,0.143263991410149)
 energy:          33  (0.321419290637868,0.222855097749120)
 energy:          14  (-0.368749661780696,0.222855097749120)
 energy:          24  (6.657453382719886E-002,0.222855097749120)
 energy:          19  (-0.153682552128789,0.222855097749120)
 energy:          29  (0.241563391010637,0.222855097749120)
 energy:           5  (-0.593252195889041,0.222855097749120)
 energy:          10  (-0.503618570442671,0.222855097749120)
 energy:          25  (0.106694482348662,0.222855097749120)
 energy:          15  (-0.328629713259233,0.222855097749120)
 energy:          20  (-0.108372627303246,0.222855097749120)
 nth =          10
 atom:            2  NSRA:           2
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 nested omp? F
 energy:          16  (-0.286664808025843,0.222855097749120)
 energy:          34  (0.331197016457007,0.222855097749120)
 energy:          21  (-6.327422567407816E-002,0.222855097749120)
 energy:          11  (-0.474400802708484,0.222855097749120)
 energy:          26  (0.144594885519059,0.222855097749120)
 energy:          30  (0.267302387313301,0.222855097749120)
 energy:           6  (-0.583474470069902,0.222855097749120)
 energy:          38  (0.476545823180105,0.222855097749120)
 energy:          42  (0.489952636567966,0.111427548874560)
 energy:          35  (0.336661647264647,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          17  (-0.243246760741898,0.222855097749120)
 energy:          43  (0.489952636567966,7.959110633897150E-002)
 energy:          22  (-1.880841869013596E-002,0.222855097749120)
 energy:          27  (0.179921878271222,0.222855097749120)
 energy:          39  (0.489952636567966,0.206936876481326)
 energy:          12  (-0.441977057703257,0.222855097749120)
 energy:          31  (0.289322303092113,0.222855097749120)
 energy:           7  (-0.569472745537679,0.222855097749120)
 energy:          36  (0.355747187125027,0.222855097749120)
 energy:          18  (-0.198780953757956,0.222855097749120)
 energy:          44  (0.489952636567966,4.775466380338290E-002)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          23  (2.460962859380869E-002,0.222855097749120)
 energy:          40  (0.489952636567966,0.175100433945737)
 energy:          32  (0.307417566105645,0.222855097749120)
 energy:          28  (0.212345623276450,0.222855097749120)
 energy:           8  (-0.551377482524148,0.222855097749120)
 energy:          13  (-0.406650064951094,0.222855097749120)
 energy:          37  (0.416810090417617,0.222855097749120)
 energy:          19  (-0.153682552128789,0.222855097749120)
 energy:          45  (0.489952636567966,1.591822126779430E-002)
 energy:           4  (-0.598716826696681,0.222855097749120)
 energy:          24  (6.657453382719886E-002,0.222855097749120)
 energy:          41  (0.489952636567966,0.143263991410149)
 energy:          33  (0.321419290637868,0.222855097749120)
 energy:          14  (-0.368749661780696,0.222855097749120)
 energy:          29  (0.241563391010637,0.222855097749120)
 energy:           9  (-0.529357566745335,0.222855097749120)
 energy:          20  (-0.108372627303246,0.222855097749120)
 energy:          25  (0.106694482348662,0.222855097749120)
 energy:           5  (-0.593252195889041,0.222855097749120)
 energy:          15  (-0.328629713259233,0.222855097749120)
 energy:          10  (-0.503618570442671,0.222855097749120)
 nth =          10
 atom:            3  NSRA:           2
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 nested omp? F
 energy:          16  (-0.286664808025843,0.222855097749120)
 energy:           6  (-0.583474470069902,0.222855097749120)
 energy:          34  (0.331197016457007,0.222855097749120)
 energy:          42  (0.489952636567966,0.111427548874560)
 energy:          11  (-0.474400802708484,0.222855097749120)
 energy:          38  (0.476545823180105,0.222855097749120)
 energy:          21  (-6.327422567407816E-002,0.222855097749120)
 energy:          30  (0.267302387313301,0.222855097749120)
 energy:          26  (0.144594885519059,0.222855097749120)
 energy:          35  (0.336661647264647,0.222855097749120)
 energy:          17  (-0.243246760741898,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          43  (0.489952636567966,7.959110633897150E-002)
 energy:           7  (-0.569472745537679,0.222855097749120)
 energy:          39  (0.489952636567966,0.206936876481326)
 energy:          22  (-1.880841869013596E-002,0.222855097749120)
 energy:          31  (0.289322303092113,0.222855097749120)
 energy:          12  (-0.441977057703257,0.222855097749120)
 energy:          27  (0.179921878271222,0.222855097749120)
 energy:          36  (0.355747187125027,0.222855097749120)
 energy:          18  (-0.198780953757956,0.222855097749120)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          44  (0.489952636567966,4.775466380338290E-002)
 energy:           8  (-0.551377482524148,0.222855097749120)
 energy:          28  (0.212345623276450,0.222855097749120)
 energy:          40  (0.489952636567966,0.175100433945737)
 energy:          32  (0.307417566105645,0.222855097749120)
 energy:          23  (2.460962859380869E-002,0.222855097749120)
 energy:          13  (-0.406650064951094,0.222855097749120)
 energy:          37  (0.416810090417617,0.222855097749120)
 energy:          19  (-0.153682552128789,0.222855097749120)
 energy:           4  (-0.598716826696681,0.222855097749120)
 energy:           9  (-0.529357566745335,0.222855097749120)
 energy:          45  (0.489952636567966,1.591822126779430E-002)
 energy:          29  (0.241563391010637,0.222855097749120)
 energy:          41  (0.489952636567966,0.143263991410149)
 energy:          24  (6.657453382719886E-002,0.222855097749120)
 energy:          33  (0.321419290637868,0.222855097749120)
 energy:          14  (-0.368749661780696,0.222855097749120)
 energy:          20  (-0.108372627303246,0.222855097749120)
 energy:          10  (-0.503618570442671,0.222855097749120)
 energy:           5  (-0.593252195889041,0.222855097749120)
 energy:          25  (0.106694482348662,0.222855097749120)
 energy:          15  (-0.328629713259233,0.222855097749120)
 nth =          10
 atom:            4  NSRA:           2
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 nested omp? F
 energy:          16  (-0.286664808025843,0.222855097749120)
 energy:          11  (-0.474400802708484,0.222855097749120)
 energy:          21  (-6.327422567407816E-002,0.222855097749120)
 energy:           6  (-0.583474470069902,0.222855097749120)
 energy:          26  (0.144594885519059,0.222855097749120)
 energy:          30  (0.267302387313301,0.222855097749120)
 energy:          34  (0.331197016457007,0.222855097749120)
 energy:          42  (0.489952636567966,0.111427548874560)
 energy:          38  (0.476545823180105,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          17  (-0.243246760741898,0.222855097749120)
 energy:          22  (-1.880841869013596E-002,0.222855097749120)
 energy:          35  (0.336661647264647,0.222855097749120)
 energy:          12  (-0.441977057703257,0.222855097749120)
 energy:          31  (0.289322303092113,0.222855097749120)
 energy:          39  (0.489952636567966,0.206936876481326)
 energy:          27  (0.179921878271222,0.222855097749120)
 energy:          43  (0.489952636567966,7.959110633897150E-002)
 energy:           7  (-0.569472745537679,0.222855097749120)
 energy:          18  (-0.198780953757956,0.222855097749120)
 energy:          36  (0.355747187125027,0.222855097749120)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          23  (2.460962859380869E-002,0.222855097749120)
 energy:          44  (0.489952636567966,4.775466380338290E-002)
 energy:          40  (0.489952636567966,0.175100433945737)
 energy:          32  (0.307417566105645,0.222855097749120)
 energy:          28  (0.212345623276450,0.222855097749120)
 energy:          13  (-0.406650064951094,0.222855097749120)
 energy:           8  (-0.551377482524148,0.222855097749120)
 energy:          19  (-0.153682552128789,0.222855097749120)
 energy:          37  (0.416810090417617,0.222855097749120)
 energy:           4  (-0.598716826696681,0.222855097749120)
 energy:          24  (6.657453382719886E-002,0.222855097749120)
 energy:          45  (0.489952636567966,1.591822126779430E-002)
 energy:          41  (0.489952636567966,0.143263991410149)
 energy:          33  (0.321419290637868,0.222855097749120)
 energy:          29  (0.241563391010637,0.222855097749120)
 energy:          14  (-0.368749661780696,0.222855097749120)
 energy:           9  (-0.529357566745335,0.222855097749120)
 energy:          25  (0.106694482348662,0.222855097749120)
 energy:          20  (-0.108372627303246,0.222855097749120)
 energy:           5  (-0.593252195889041,0.222855097749120)
 energy:          15  (-0.328629713259233,0.222855097749120)
 energy:          10  (-0.503618570442671,0.222855097749120)
 nth =          10
 atom:            5  NSRA:           2
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 nested omp? F
 energy:           6  (-0.583474470069902,0.222855097749120)
 energy:          11  (-0.474400802708484,0.222855097749120)
 energy:          16  (-0.286664808025843,0.222855097749120)
 energy:          26  (0.144594885519059,0.222855097749120)
 energy:          21  (-6.327422567407816E-002,0.222855097749120)
 energy:          34  (0.331197016457007,0.222855097749120)
 energy:          42  (0.489952636567966,0.111427548874560)
 energy:          30  (0.267302387313301,0.222855097749120)
 energy:          38  (0.476545823180105,0.222855097749120)
 energy:          17  (-0.243246760741898,0.222855097749120)
 energy:          35  (0.336661647264647,0.222855097749120)
 energy:          22  (-1.880841869013596E-002,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          43  (0.489952636567966,7.959110633897150E-002)
 energy:          31  (0.289322303092113,0.222855097749120)
 energy:          39  (0.489952636567966,0.206936876481326)
 energy:           7  (-0.569472745537679,0.222855097749120)
 energy:          12  (-0.441977057703257,0.222855097749120)
 energy:          27  (0.179921878271222,0.222855097749120)
 energy:          23  (2.460962859380869E-002,0.222855097749120)
 energy:          18  (-0.198780953757956,0.222855097749120)
 energy:          36  (0.355747187125027,0.222855097749120)
 energy:          28  (0.212345623276450,0.222855097749120)
 energy:          44  (0.489952636567966,4.775466380338290E-002)
 energy:          32  (0.307417566105645,0.222855097749120)
 energy:          40  (0.489952636567966,0.175100433945737)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          13  (-0.406650064951094,0.222855097749120)
 energy:           8  (-0.551377482524148,0.222855097749120)
 energy:          24  (6.657453382719886E-002,0.222855097749120)
 energy:          19  (-0.153682552128789,0.222855097749120)
 energy:          37  (0.416810090417617,0.222855097749120)
 energy:          33  (0.321419290637868,0.222855097749120)
 energy:           4  (-0.598716826696681,0.222855097749120)
 energy:          41  (0.489952636567966,0.143263991410149)
 energy:          45  (0.489952636567966,1.591822126779430E-002)
 energy:           9  (-0.529357566745335,0.222855097749120)
 energy:          14  (-0.368749661780696,0.222855097749120)
 energy:          29  (0.241563391010637,0.222855097749120)
 energy:          25  (0.106694482348662,0.222855097749120)
 energy:          20  (-0.108372627303246,0.222855097749120)
 energy:           5  (-0.593252195889041,0.222855097749120)
 energy:          10  (-0.503618570442671,0.222855097749120)
 energy:          15  (-0.328629713259233,0.222855097749120)
 nth =          10
 atom:            6  NSRA:           2
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 nested omp? F
 energy:          16  (-0.286664808025843,0.222855097749120)
 energy:           6  (-0.583474470069902,0.222855097749120)
 energy:          11  (-0.474400802708484,0.222855097749120)
 energy:          21  (-6.327422567407816E-002,0.222855097749120)
 energy:          26  (0.144594885519059,0.222855097749120)
 energy:          34  (0.331197016457007,0.222855097749120)
 energy:          42  (0.489952636567966,0.111427548874560)
 energy:          38  (0.476545823180105,0.222855097749120)
 energy:          30  (0.267302387313301,0.222855097749120)
 energy:          17  (-0.243246760741898,0.222855097749120)
 energy:          35  (0.336661647264647,0.222855097749120)
 energy:          43  (0.489952636567966,7.959110633897150E-002)
 energy:          39  (0.489952636567966,0.206936876481326)
 energy:          22  (-1.880841869013596E-002,0.222855097749120)
 energy:          31  (0.289322303092113,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:           7  (-0.569472745537679,0.222855097749120)
 energy:          27  (0.179921878271222,0.222855097749120)
 energy:          12  (-0.441977057703257,0.222855097749120)
 energy:          18  (-0.198780953757956,0.222855097749120)
 energy:          36  (0.355747187125027,0.222855097749120)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          44  (0.489952636567966,4.775466380338290E-002)
 energy:           8  (-0.551377482524148,0.222855097749120)
 energy:          23  (2.460962859380869E-002,0.222855097749120)
 energy:          40  (0.489952636567966,0.175100433945737)
 energy:          32  (0.307417566105645,0.222855097749120)
 energy:          28  (0.212345623276450,0.222855097749120)
 energy:          13  (-0.406650064951094,0.222855097749120)
 energy:          37  (0.416810090417617,0.222855097749120)
 energy:          19  (-0.153682552128789,0.222855097749120)
 energy:           4  (-0.598716826696681,0.222855097749120)
 energy:          45  (0.489952636567966,1.591822126779430E-002)
 energy:           9  (-0.529357566745335,0.222855097749120)
 energy:          24  (6.657453382719886E-002,0.222855097749120)
 energy:          41  (0.489952636567966,0.143263991410149)
 energy:          33  (0.321419290637868,0.222855097749120)
 energy:          29  (0.241563391010637,0.222855097749120)
 energy:          14  (-0.368749661780696,0.222855097749120)
 energy:          20  (-0.108372627303246,0.222855097749120)
 energy:           5  (-0.593252195889041,0.222855097749120)
 energy:          10  (-0.503618570442671,0.222855097749120)
 energy:          25  (0.106694482348662,0.222855097749120)
 energy:          15  (-0.328629713259233,0.222855097749120)
TBREF: GREF for energy:    1   -0.60000000    0.02511614
TBREF: GREF for energy:    2   -0.60000000    0.11142755
TBREF: GREF for energy:    3   -0.60000000    0.19773896
TBREF: GREF for energy:    4   -0.59871683    0.22285510
TBREF: GREF for energy:    5   -0.59325220    0.22285510
TBREF: GREF for energy:    6   -0.58347447    0.22285510
TBREF: GREF for energy:    7   -0.56947275    0.22285510
TBREF: GREF for energy:    8   -0.55137748    0.22285510
TBREF: GREF for energy:    9   -0.52935757    0.22285510
TBREF: GREF for energy:   10   -0.50361857    0.22285510
TBREF: GREF for energy:   11   -0.47440080    0.22285510
TBREF: GREF for energy:   12   -0.44197706    0.22285510
TBREF: GREF for energy:   13   -0.40665006    0.22285510
TBREF: GREF for energy:   14   -0.36874966    0.22285510
TBREF: GREF for energy:   15   -0.32862971    0.22285510
TBREF: GREF for energy:   16   -0.28666481    0.22285510
TBREF: GREF for energy:   17   -0.24324676    0.22285510
TBREF: GREF for energy:   18   -0.19878095    0.22285510
TBREF: GREF for energy:   19   -0.15368255    0.22285510
TBREF: GREF for energy:   20   -0.10837263    0.22285510
TBREF: GREF for energy:   21   -0.06327423    0.22285510
TBREF: GREF for energy:   22   -0.01880842    0.22285510
TBREF: GREF for energy:   23    0.02460963    0.22285510
TBREF: GREF for energy:   24    0.06657453    0.22285510
TBREF: GREF for energy:   25    0.10669448    0.22285510
TBREF: GREF for energy:   26    0.14459489    0.22285510
TBREF: GREF for energy:   27    0.17992188    0.22285510
TBREF: GREF for energy:   28    0.21234562    0.22285510
TBREF: GREF for energy:   29    0.24156339    0.22285510
TBREF: GREF for energy:   30    0.26730239    0.22285510
TBREF: GREF for energy:   31    0.28932230    0.22285510
TBREF: GREF for energy:   32    0.30741757    0.22285510
TBREF: GREF for energy:   33    0.32141929    0.22285510
TBREF: GREF for energy:   34    0.33119702    0.22285510
TBREF: GREF for energy:   35    0.33666165    0.22285510
TBREF: GREF for energy:   36    0.35574719    0.22285510
TBREF: GREF for energy:   37    0.41681009    0.22285510
TBREF: GREF for energy:   38    0.47654582    0.22285510
TBREF: GREF for energy:   39    0.48995264    0.20693688
TBREF: GREF for energy:   40    0.48995264    0.17510043
TBREF: GREF for energy:   41    0.48995264    0.14326399
TBREF: GREF for energy:   42    0.48995264    0.11142755
TBREF: GREF for energy:   43    0.48995264    0.07959111
TBREF: GREF for energy:   44    0.48995264    0.04775466
TBREF: GREF for energy:   45    0.48995264    0.01591822
===============================================================================
                              < KKR1a finished >
===============================================================================


===============================================================================
      Inversion algorithm used : BANDED MATRIX (slab)               
===============================================================================

 ************ IE =   1 ENERGY =  -0.600000   0.025116 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =   2 ENERGY =  -0.600000   0.111428 KMESH =   3
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| 
 ************ IE =   3 ENERGY =  -0.600000   0.197739 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =   4 ENERGY =  -0.598717   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =   5 ENERGY =  -0.593252   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =   6 ENERGY =  -0.583474   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =   7 ENERGY =  -0.569473   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =   8 ENERGY =  -0.551377   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =   9 ENERGY =  -0.529358   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  10 ENERGY =  -0.503619   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  11 ENERGY =  -0.474401   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  12 ENERGY =  -0.441977   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  13 ENERGY =  -0.406650   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  14 ENERGY =  -0.368750   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  15 ENERGY =  -0.328630   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  16 ENERGY =  -0.286665   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  17 ENERGY =  -0.243247   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  18 ENERGY =  -0.198781   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  19 ENERGY =  -0.153683   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  20 ENERGY =  -0.108373   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  21 ENERGY =  -0.063274   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  22 ENERGY =  -0.018808   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  23 ENERGY =   0.024610   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  24 ENERGY =   0.066575   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  25 ENERGY =   0.106694   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  26 ENERGY =   0.144595   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  27 ENERGY =   0.179922   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  28 ENERGY =   0.212346   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  29 ENERGY =   0.241563   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  30 ENERGY =   0.267302   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  31 ENERGY =   0.289322   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  32 ENERGY =   0.307418   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  33 ENERGY =   0.321419   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  34 ENERGY =   0.331197   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  35 ENERGY =   0.336662   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  36 ENERGY =   0.355747   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  37 ENERGY =   0.416810   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  38 ENERGY =   0.476546   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  39 ENERGY =   0.489953   0.206937 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  40 ENERGY =   0.489953   0.175100 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  41 ENERGY =   0.489953   0.143264 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  42 ENERGY =   0.489953   0.111428 KMESH =   3
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| 
 ************ IE =  43 ENERGY =   0.489953   0.079591 KMESH =   3
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| 
 ************ IE =  44 ENERGY =   0.489953   0.047755 KMESH =   2
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||||||||||||||||||||||||||||||||| 
 ************ IE =  45 ENERGY =   0.489953   0.015918 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||||||||||||||||||||||||||||||||||||||||||||||||||| 
===============================================================================
                              < KKR1b finished >
===============================================================================

 nth =          10
 atom:            1
 energy:          11  (-0.474400802708484,0.222855097749120)
 energy:          38  (0.476545823180105,0.222855097749120)
 energy:          21  (-6.327422567407816E-002,0.222855097749120)
 energy:          26  (0.144594885519059,0.222855097749120)
 energy:          30  (0.267302387313301,0.222855097749120)
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 energy:           6  (-0.583474470069902,0.222855097749120)
 energy:          16  (-0.286664808025843,0.222855097749120)
 energy:          42  (0.489952636567966,0.111427548874560)
 energy:          34  (0.331197016457007,0.222855097749120)
 energy:          35  (0.336661647264647,0.222855097749120)
 energy:          39  (0.489952636567966,0.206936876481326)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          31  (0.289322303092113,0.222855097749120)
 energy:          22  (-1.880841869013596E-002,0.222855097749120)
 energy:          12  (-0.441977057703257,0.222855097749120)
 energy:          43  (0.489952636567966,7.959110633897150E-002)
 energy:          17  (-0.243246760741898,0.222855097749120)
 energy:           7  (-0.569472745537679,0.222855097749120)
 energy:          27  (0.179921878271222,0.222855097749120)
 energy:          36  (0.355747187125027,0.222855097749120)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          40  (0.489952636567966,0.175100433945737)
 energy:          44  (0.489952636567966,4.775466380338290E-002)
 energy:           8  (-0.551377482524148,0.222855097749120)
 energy:          23  (2.460962859380869E-002,0.222855097749120)
 energy:          13  (-0.406650064951094,0.222855097749120)
 energy:          18  (-0.198780953757956,0.222855097749120)
 energy:          32  (0.307417566105645,0.222855097749120)
 energy:          28  (0.212345623276450,0.222855097749120)
 energy:          41  (0.489952636567966,0.143263991410149)
 energy:          37  (0.416810090417617,0.222855097749120)
 energy:           4  (-0.598716826696681,0.222855097749120)
 energy:          45  (0.489952636567966,1.591822126779430E-002)
 energy:           9  (-0.529357566745335,0.222855097749120)
 energy:          14  (-0.368749661780696,0.222855097749120)
 energy:          33  (0.321419290637868,0.222855097749120)
 energy:          24  (6.657453382719886E-002,0.222855097749120)
 energy:          19  (-0.153682552128789,0.222855097749120)
 energy:          29  (0.241563391010637,0.222855097749120)
 energy:           5  (-0.593252195889041,0.222855097749120)
 energy:          10  (-0.503618570442671,0.222855097749120)
 energy:          20  (-0.108372627303246,0.222855097749120)
 energy:          15  (-0.328629713259233,0.222855097749120)
 energy:          25  (0.106694482348662,0.222855097749120)
 moment           0  1.443061703763227E-020 -8.007662706784484E-021
  2.371158824843178E-011
  0.000000000000000E+000  0.000000000000000E+000
 nth =          10
 atom:            2
 energy:          21  (-6.327422567407816E-002,0.222855097749120)
 energy:          34  (0.331197016457007,0.222855097749120)
 energy:          30  (0.267302387313301,0.222855097749120)
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 energy:          38  (0.476545823180105,0.222855097749120)
 energy:          42  (0.489952636567966,0.111427548874560)
 energy:          26  (0.144594885519059,0.222855097749120)
 energy:          11  (-0.474400802708484,0.222855097749120)
 energy:          16  (-0.286664808025843,0.222855097749120)
 energy:           6  (-0.583474470069902,0.222855097749120)
 energy:          39  (0.489952636567966,0.206936876481326)
 energy:          31  (0.289322303092113,0.222855097749120)
 energy:          22  (-1.880841869013596E-002,0.222855097749120)
 energy:          12  (-0.441977057703257,0.222855097749120)
 energy:          17  (-0.243246760741898,0.222855097749120)
 energy:          27  (0.179921878271222,0.222855097749120)
 energy:          35  (0.336661647264647,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          43  (0.489952636567966,7.959110633897150E-002)
 energy:           7  (-0.569472745537679,0.222855097749120)
 energy:          40  (0.489952636567966,0.175100433945737)
 energy:          18  (-0.198780953757956,0.222855097749120)
 energy:          32  (0.307417566105645,0.222855097749120)
 energy:          23  (2.460962859380869E-002,0.222855097749120)
 energy:          13  (-0.406650064951094,0.222855097749120)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          36  (0.355747187125027,0.222855097749120)
 energy:          28  (0.212345623276450,0.222855097749120)
 energy:           8  (-0.551377482524148,0.222855097749120)
 energy:          44  (0.489952636567966,4.775466380338290E-002)
 energy:          41  (0.489952636567966,0.143263991410149)
 energy:          19  (-0.153682552128789,0.222855097749120)
 energy:          37  (0.416810090417617,0.222855097749120)
 energy:           4  (-0.598716826696681,0.222855097749120)
 energy:          33  (0.321419290637868,0.222855097749120)
 energy:          24  (6.657453382719886E-002,0.222855097749120)
 energy:          14  (-0.368749661780696,0.222855097749120)
 energy:          29  (0.241563391010637,0.222855097749120)
 energy:           9  (-0.529357566745335,0.222855097749120)
 energy:          45  (0.489952636567966,1.591822126779430E-002)
 energy:          20  (-0.108372627303246,0.222855097749120)
 energy:           5  (-0.593252195889041,0.222855097749120)
 energy:          25  (0.106694482348662,0.222855097749120)
 energy:          15  (-0.328629713259233,0.222855097749120)
 energy:          10  (-0.503618570442671,0.222855097749120)
 moment           0  2.740042430790950E-019  7.365774786676894E-020
  9.134500933427603E-010
  0.000000000000000E+000  0.000000000000000E+000
 nth =          10
 atom:            3
 energy:          38  (0.476545823180105,0.222855097749120)
 energy:          11  (-0.474400802708484,0.222855097749120)
 energy:          30  (0.267302387313301,0.222855097749120)
 energy:          21  (-6.327422567407816E-002,0.222855097749120)
 energy:           6  (-0.583474470069902,0.222855097749120)
 energy:          26  (0.144594885519059,0.222855097749120)
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 energy:          34  (0.331197016457007,0.222855097749120)
 energy:          16  (-0.286664808025843,0.222855097749120)
 energy:          42  (0.489952636567966,0.111427548874560)
 energy:          35  (0.336661647264647,0.222855097749120)
 energy:          17  (-0.243246760741898,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          43  (0.489952636567966,7.959110633897150E-002)
 energy:           7  (-0.569472745537679,0.222855097749120)
 energy:          12  (-0.441977057703257,0.222855097749120)
 energy:          31  (0.289322303092113,0.222855097749120)
 energy:          27  (0.179921878271222,0.222855097749120)
 energy:          22  (-1.880841869013596E-002,0.222855097749120)
 energy:          39  (0.489952636567966,0.206936876481326)
 energy:          36  (0.355747187125027,0.222855097749120)
 energy:          18  (-0.198780953757956,0.222855097749120)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          13  (-0.406650064951094,0.222855097749120)
 energy:           8  (-0.551377482524148,0.222855097749120)
 energy:          40  (0.489952636567966,0.175100433945737)
 energy:          32  (0.307417566105645,0.222855097749120)
 energy:          28  (0.212345623276450,0.222855097749120)
 energy:          23  (2.460962859380869E-002,0.222855097749120)
 energy:          44  (0.489952636567966,4.775466380338290E-002)
 energy:          37  (0.416810090417617,0.222855097749120)
 energy:          19  (-0.153682552128789,0.222855097749120)
 energy:           4  (-0.598716826696681,0.222855097749120)
 energy:          14  (-0.368749661780696,0.222855097749120)
 energy:          45  (0.489952636567966,1.591822126779430E-002)
 energy:          33  (0.321419290637868,0.222855097749120)
 energy:          29  (0.241563391010637,0.222855097749120)
 energy:          24  (6.657453382719886E-002,0.222855097749120)
 energy:          41  (0.489952636567966,0.143263991410149)
 energy:           9  (-0.529357566745335,0.222855097749120)
 energy:          20  (-0.108372627303246,0.222855097749120)
 energy:           5  (-0.593252195889041,0.222855097749120)
 energy:          15  (-0.328629713259233,0.222855097749120)
 energy:          25  (0.106694482348662,0.222855097749120)
 energy:          10  (-0.503618570442671,0.222855097749120)
 moment           0 -6.832552796269926E-018 -7.787189980187467E-018
 -1.164918157492423E-007
  0.000000000000000E+000  0.000000000000000E+000
 nth =          10
 atom:            4
 energy:          21  (-6.327422567407816E-002,0.222855097749120)
 energy:          16  (-0.286664808025843,0.222855097749120)
 energy:          11  (-0.474400802708484,0.222855097749120)
 energy:          26  (0.144594885519059,0.222855097749120)
 energy:          34  (0.331197016457007,0.222855097749120)
 energy:           6  (-0.583474470069902,0.222855097749120)
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 energy:          30  (0.267302387313301,0.222855097749120)
 energy:          42  (0.489952636567966,0.111427548874560)
 energy:          38  (0.476545823180105,0.222855097749120)
 energy:          35  (0.336661647264647,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          17  (-0.243246760741898,0.222855097749120)
 energy:          43  (0.489952636567966,7.959110633897150E-002)
 energy:           7  (-0.569472745537679,0.222855097749120)
 energy:          12  (-0.441977057703257,0.222855097749120)
 energy:          31  (0.289322303092113,0.222855097749120)
 energy:          22  (-1.880841869013596E-002,0.222855097749120)
 energy:          39  (0.489952636567966,0.206936876481326)
 energy:          27  (0.179921878271222,0.222855097749120)
 energy:          36  (0.355747187125027,0.222855097749120)
 energy:          18  (-0.198780953757956,0.222855097749120)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          44  (0.489952636567966,4.775466380338290E-002)
 energy:           8  (-0.551377482524148,0.222855097749120)
 energy:          13  (-0.406650064951094,0.222855097749120)
 energy:          32  (0.307417566105645,0.222855097749120)
 energy:          40  (0.489952636567966,0.175100433945737)
 energy:          28  (0.212345623276450,0.222855097749120)
 energy:          23  (2.460962859380869E-002,0.222855097749120)
 energy:          37  (0.416810090417617,0.222855097749120)
 energy:          19  (-0.153682552128789,0.222855097749120)
 energy:           4  (-0.598716826696681,0.222855097749120)
 energy:          45  (0.489952636567966,1.591822126779430E-002)
 energy:           9  (-0.529357566745335,0.222855097749120)
 energy:          14  (-0.368749661780696,0.222855097749120)
 energy:          33  (0.321419290637868,0.222855097749120)
 energy:          41  (0.489952636567966,0.143263991410149)
 energy:          29  (0.241563391010637,0.222855097749120)
 energy:          24  (6.657453382719886E-002,0.222855097749120)
 energy:          20  (-0.108372627303246,0.222855097749120)
 energy:           5  (-0.593252195889041,0.222855097749120)
 energy:          10  (-0.503618570442671,0.222855097749120)
 energy:          15  (-0.328629713259233,0.222855097749120)
 energy:          25  (0.106694482348662,0.222855097749120)
 moment           0 -4.785883085898113E-018 -1.718551972824869E-017
 -1.164918561613604E-007
  0.000000000000000E+000  0.000000000000000E+000
 nth =          10
 atom:            5
 energy:          38  (0.476545823180105,0.222855097749120)
 energy:           6  (-0.583474470069902,0.222855097749120)
 energy:          30  (0.267302387313301,0.222855097749120)
 energy:          26  (0.144594885519059,0.222855097749120)
 energy:          34  (0.331197016457007,0.222855097749120)
 energy:          11  (-0.474400802708484,0.222855097749120)
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 energy:          21  (-6.327422567407816E-002,0.222855097749120)
 energy:          16  (-0.286664808025843,0.222855097749120)
 energy:          42  (0.489952636567966,0.111427548874560)
 energy:          35  (0.336661647264647,0.222855097749120)
 energy:          17  (-0.243246760741898,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          43  (0.489952636567966,7.959110633897150E-002)
 energy:          39  (0.489952636567966,0.206936876481326)
 energy:          31  (0.289322303092113,0.222855097749120)
 energy:          12  (-0.441977057703257,0.222855097749120)
 energy:           7  (-0.569472745537679,0.222855097749120)
 energy:          22  (-1.880841869013596E-002,0.222855097749120)
 energy:          27  (0.179921878271222,0.222855097749120)
 energy:          36  (0.355747187125027,0.222855097749120)
 energy:          40  (0.489952636567966,0.175100433945737)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          18  (-0.198780953757956,0.222855097749120)
 energy:          44  (0.489952636567966,4.775466380338290E-002)
 energy:          23  (2.460962859380869E-002,0.222855097749120)
 energy:          13  (-0.406650064951094,0.222855097749120)
 energy:          32  (0.307417566105645,0.222855097749120)
 energy:           8  (-0.551377482524148,0.222855097749120)
 energy:          28  (0.212345623276450,0.222855097749120)
 energy:          41  (0.489952636567966,0.143263991410149)
 energy:          37  (0.416810090417617,0.222855097749120)
 energy:           4  (-0.598716826696681,0.222855097749120)
 energy:          19  (-0.153682552128789,0.222855097749120)
 energy:          45  (0.489952636567966,1.591822126779430E-002)
 energy:          24  (6.657453382719886E-002,0.222855097749120)
 energy:          14  (-0.368749661780696,0.222855097749120)
 energy:          33  (0.321419290637868,0.222855097749120)
 energy:          29  (0.241563391010637,0.222855097749120)
 energy:           9  (-0.529357566745335,0.222855097749120)
 energy:          20  (-0.108372627303246,0.222855097749120)
 energy:           5  (-0.593252195889041,0.222855097749120)
 energy:          25  (0.106694482348662,0.222855097749120)
 energy:          15  (-0.328629713259233,0.222855097749120)
 energy:          10  (-0.503618570442671,0.222855097749120)
 moment           0  8.699610319790743E-019  5.788122517075044E-019
  9.134513145880874E-010
  0.000000000000000E+000  0.000000000000000E+000
 nth =          10
 atom:            6
 energy:          21  (-6.327422567407816E-002,0.222855097749120)
 energy:          30  (0.267302387313301,0.222855097749120)
 energy:          16  (-0.286664808025843,0.222855097749120)
 energy:          26  (0.144594885519059,0.222855097749120)
 energy:          11  (-0.474400802708484,0.222855097749120)
 energy:           6  (-0.583474470069902,0.222855097749120)
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 energy:          42  (0.489952636567966,0.111427548874560)
 energy:          34  (0.331197016457007,0.222855097749120)
 energy:          38  (0.476545823180105,0.222855097749120)
 energy:          43  (0.489952636567966,7.959110633897150E-002)
 energy:          17  (-0.243246760741898,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          39  (0.489952636567966,0.206936876481326)
 energy:          31  (0.289322303092113,0.222855097749120)
 energy:          22  (-1.880841869013596E-002,0.222855097749120)
 energy:          12  (-0.441977057703257,0.222855097749120)
 energy:          35  (0.336661647264647,0.222855097749120)
 energy:          27  (0.179921878271222,0.222855097749120)
 energy:           7  (-0.569472745537679,0.222855097749120)
 energy:          44  (0.489952636567966,4.775466380338290E-002)
 energy:          18  (-0.198780953757956,0.222855097749120)
 energy:          40  (0.489952636567966,0.175100433945737)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          32  (0.307417566105645,0.222855097749120)
 energy:          23  (2.460962859380869E-002,0.222855097749120)
 energy:          13  (-0.406650064951094,0.222855097749120)
 energy:          36  (0.355747187125027,0.222855097749120)
 energy:          28  (0.212345623276450,0.222855097749120)
 energy:           8  (-0.551377482524148,0.222855097749120)
 energy:          45  (0.489952636567966,1.591822126779430E-002)
 energy:          19  (-0.153682552128789,0.222855097749120)
 energy:           4  (-0.598716826696681,0.222855097749120)
 energy:          41  (0.489952636567966,0.143263991410149)
 energy:          33  (0.321419290637868,0.222855097749120)
 energy:          37  (0.416810090417617,0.222855097749120)
 energy:          24  (6.657453382719886E-002,0.222855097749120)
 energy:          14  (-0.368749661780696,0.222855097749120)
 energy:          29  (0.241563391010637,0.222855097749120)
 energy:           9  (-0.529357566745335,0.222855097749120)
 energy:          20  (-0.108372627303246,0.222855097749120)
 energy:           5  (-0.593252195889041,0.222855097749120)
 energy:          15  (-0.328629713259233,0.222855097749120)
 energy:          25  (0.106694482348662,0.222855097749120)
 energy:          10  (-0.503618570442671,0.222855097749120)
 moment           0  3.885534259376914E-020  1.106552638771731E-020
  2.371147722612932E-011
  0.000000000000000E+000  0.000000000000000E+000
 
##############################################################################
               l-decomposed valence charges and magnetic moments
##############################################################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin    m_orb   spin dn  spin up
   ========================================================================
      1   s =  0.00133519  0.00133519    0.0000    0.0000  0.0000  0.0000
          p =  0.00057362  0.00057362    0.0000    0.0000  0.0000 -0.0000
          d =  0.00010645  0.00010645    0.0000    0.0000  0.0000 -0.0000
          ns  -0.00000222 -0.00000222    0.0000    0.0000  0.0000  0.0000
          ---------------------------------------------------------------
          TOT  0.00201304  0.00201304    0.0000    0.0000  0.0000 -0.0000
                           0.00402607              0.0000
   ==================================================================
      2   s =  0.05815774  0.05815775    0.0000    0.0000  0.0000  0.0000
          p =  0.03949071  0.03949071    0.0000    0.0000 -0.0001  0.0001
          d =  0.01717155  0.01717155   -0.0000    0.0000 -0.0001  0.0001
          ns   0.00011076  0.00011076    0.0000    0.0000  0.0000  0.0000
          ---------------------------------------------------------------
          TOT  0.11493076  0.11493077    0.0000    0.0000 -0.0002  0.0002
                           0.22986153              0.0000
   ==================================================================
      3   s =  0.29822692  0.29822692    0.0000    0.0000  0.0000  0.0000
          p =  0.26185378  0.26185378    0.0000   -0.0000  0.0029 -0.0029
          d =  3.25778730  3.25778718   -0.0000   -0.0000  0.0916 -0.0916
          ns  -0.00377405 -0.00377405   -0.0000    0.0000  0.0000  0.0000
          ---------------------------------------------------------------
          TOT  3.81409395  3.81409383   -0.0000   -0.0000  0.0946 -0.0946
                           7.62818778             -0.0000
   ==================================================================
      4   s =  0.29822692  0.29822692    0.0000    0.0000  0.0000  0.0000
          p =  0.26185378  0.26185378    0.0000   -0.0000  0.0029 -0.0029
          d =  3.25778730  3.25778718   -0.0000   -0.0000  0.0916 -0.0916
          ns  -0.00377405 -0.00377405   -0.0000    0.0000  0.0000  0.0000
          ---------------------------------------------------------------
          TOT  3.81409395  3.81409383   -0.0000   -0.0000  0.0946 -0.0946
                           7.62818778             -0.0000
   ==================================================================
      5   s =  0.05815774  0.05815775    0.0000    0.0000  0.0000  0.0000
          p =  0.03949071  0.03949071    0.0000    0.0000 -0.0001  0.0001
          d =  0.01717155  0.01717155   -0.0000    0.0000 -0.0001  0.0001
          ns   0.00011076  0.00011076    0.0000    0.0000  0.0000  0.0000
          ---------------------------------------------------------------
          TOT  0.11493076  0.11493077    0.0000    0.0000 -0.0002  0.0002
                           0.22986153              0.0000
   ==================================================================
      6   s =  0.00133519  0.00133519    0.0000    0.0000  0.0000  0.0000
          p =  0.00057362  0.00057362    0.0000    0.0000  0.0000 -0.0000
          d =  0.00010645  0.00010645    0.0000    0.0000  0.0000 -0.0000
          ns  -0.00000222 -0.00000222    0.0000    0.0000  0.0000  0.0000
          ---------------------------------------------------------------
          TOT  0.00201304  0.00201304    0.0000    0.0000  0.0000 -0.0000
                           0.00402607              0.0000
 
##############################################################################
 
 Sum of valence charges of atoms (local summation)   15.7241507562320     
 
##############################################################################
                                 CORE  STATES
##############################################################################
    nuclear charge    0.000000         core charge =     0.000000
    nuclear charge    0.000000         core charge =     0.000000
    nuclear charge   26.000000         core charge =    18.000000
    nuclear charge   26.000000         core charge =    18.000000
    nuclear charge    0.000000         core charge =     0.000000
    nuclear charge    0.000000         core charge =     0.000000
 
##############################################################################
 
===============================================================================
                              < KKR1c finished >
===============================================================================


*******************************************************************************
                   ****** ITERATION :  10 OUT OF  10 ******
*******************************************************************************

  Atom    1 charge in wigner seitz cell =  0.004026
       spin moment in wigner seitz cell =  0.000000
  =============================================================================
  Atom    2 charge in wigner seitz cell =  0.229862
       spin moment in wigner seitz cell =  0.000000
  =============================================================================
  Atom    3 charge in wigner seitz cell = 25.628189
       spin moment in wigner seitz cell = -0.000000
  =============================================================================
  Atom    4 charge in wigner seitz cell = 25.628189
       spin moment in wigner seitz cell = -0.000000
  =============================================================================
  Atom    5 charge in wigner seitz cell =  0.229862
       spin moment in wigner seitz cell =  0.000000
  =============================================================================
  Atom    6 charge in wigner seitz cell =  0.004026
       spin moment in wigner seitz cell =  0.000000
 
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =    -0.275847
                    TOTAL mag. moment in unit cell =    -0.000000
 
                old E Fermi   0.4899526366 Delta E_F =  -0.30583311E-02
                new E FERMI   0.4930109676  DOS(E_F) =    15.032559
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

===============================================================================
                          INTERFACE MADELUNG POTENTIALS 

                ATOM   Delta_Q     MONOPOLE       DIPOLE
               ---------------------------------------------
                  1    0.004026  1.024470D-01  1.257305D-03
                  2    0.229862 -1.577559D-01  5.100194D-02
                  3   -0.371811 -8.287275D-03  3.557017D-02
                  4   -0.371811 -8.287275D-03 -3.557017D-02
                  5    0.229862 -1.577559D-01 -5.100194D-02
                  6    0.004026  1.024470D-01 -1.257305D-03
               ---------------------------------------------

===============================================================================
 in espcb:           1           0           5           3
 in espcb:           2           0           5           3
 in espcb:           3           0           5           3
 in espcb:           4           1           5           3
 in espcb:           5           1           5           3
 in espcb:           1           0           6           3
 in espcb:           2           0           6           3
 in espcb:           3           0           6           3
 in espcb:           4           1           6           3
 in espcb:           5           1           6           3
 in espcb:           1           0           7           4
 in espcb:           2           0           7           4
 in espcb:           3           0           7           4
 in espcb:           4           1           7           4
 in espcb:           5           1           7           4
 in espcb:           1           0           8           4
 in espcb:           2           0           8           4
 in espcb:           3           0           8           4
 in espcb:           4           1           8           4
 in espcb:           5           1           8           4
  SPHERE : read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Vacancies are ignored for VBC
  VOL INT.    54.244587223  VAV INT.   -49.049875818  VMT ZERO     0.904235396
===============================================================================

 MIXSTR  1.000000000000000E-002
      rms-error for atom  1 :v+ + v- =  3.1221D-01  ,  v+ - v- =  6.0299D-12
      rms-error non spherical contribution for atom   1 :v+ + v- =  3.2853D-02  ,  v+ - v- =  5.9754D-12
      rms-error for atom  2 :v+ + v- =  9.2203D-02  ,  v+ - v- =  6.6209D-11
      rms-error non spherical contribution for atom   2 :v+ + v- =  1.3124D-01  ,  v+ - v- =  6.4303D-11
      rms-error for atom  3 :v+ + v- =  1.5861D-01  ,  v+ - v- =  5.9049D-07
      rms-error non spherical contribution for atom   3 :v+ + v- =  1.4351D-01  ,  v+ - v- =  2.8750D-10
      rms-error for atom  4 :v+ + v- =  1.5861D-01  ,  v+ - v- =  5.9049D-07
      rms-error non spherical contribution for atom   4 :v+ + v- =  1.4351D-01  ,  v+ - v- =  2.8750D-10
      rms-error for atom  5 :v+ + v- =  9.2203D-02  ,  v+ - v- =  6.6209D-11
      rms-error non spherical contribution for atom   5 :v+ + v- =  1.3124D-01  ,  v+ - v- =  6.4304D-11
      rms-error for atom  6 :v+ + v- =  3.1221D-01  ,  v+ - v- =  6.0298D-12
      rms-error non spherical contribution for atom   6 :v+ + v- =  3.2853D-02  ,  v+ - v- =  5.9753D-12
-------------------------------------------------------------------------------

      ITERATION  10 average rms-error : v+ + v- =  2.3807D-01
                                        v+ - v- =  3.4092D-07
-------------------------------------------------------------------------------
                    mixing factor used :     1.00D-02
===============================================================================

================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =     0.01184393 p =     0.00023985
                                d =     0.00005125
                                ns     -0.00000172
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =     0.01184393 p =     0.00023985
                                d =     0.00005125
                                ns     -0.00000172
     --------------------------------------------------------------------
     total contribution of the single particle energies :      0.02426663
                                   band energy per atom :    0.0242666255

     coulomb  contribution :   0      0.00023051  1     -0.00000354
                               2     -0.00000101  3     -0.00000010
                               4     -0.00000024
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.00022563

     ex.-cor. contribution :   0     -0.00031565  1     -0.00010947
                               2     -0.00000413  3      0.00000100
                               4      0.00000029
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.00042797

     eff. pot. contribution     :     -0.00244915
     total double counting contribution                 :     -0.00265149

   Total contribution of atom  1 =     0.02161514
   ----------------------------------------------------------------------
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =     0.03418035 p =     0.01496715
                                d =     0.00654427
                                ns      0.00005577
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =     0.03418035 p =     0.01496715
                                d =     0.00654427
                                ns      0.00005577
     --------------------------------------------------------------------
     total contribution of the single particle energies :      0.11149507
                                   band energy per atom :    0.1114950676

     coulomb  contribution :   0      0.00459903  1     -0.00672370
                               2     -0.00082568  3      0.00004428
                               4      0.00000793
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.00289814

     ex.-cor. contribution :   0     -0.05737901  1     -0.01803600
                               2     -0.00084151  3      0.00008035
                               4     -0.00006274
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.07623891

     eff. pot. contribution     :     -0.11843363
     total double counting contribution                 :     -0.19757067

   Total contribution of atom  2 =    -0.08607561
   ----------------------------------------------------------------------
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =  -578.21858805 p =  -161.58391952

       valence  contribution :  s =     0.07548172 p =     0.08692979
                                d =     1.24239047
                                ns     -0.00095034
     single particle energies  spin  up    
         core   contribution :  s =  -578.21859277 p =  -161.58391950

       valence  contribution :  s =     0.07548172 p =     0.08692979
                                d =     1.24239042
                                ns     -0.00095034
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -1476.79731660
                                   band energy per atom :    2.8077032446

     coulomb  contribution :   0   1073.16611671  1     -0.00076249
                               2     -0.00035418  3      0.00007353
                               4      0.00091476
     --------------------------------------------------------------------
     tot. coulomb contribution :   1073.16598834

     ex.-cor. contribution :   0   -107.42534179  1     -0.00858970
                               2     -0.00245657  3     -0.00065047
                               4      0.00318524
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -107.43385329

     eff. pot. contribution     :  -2029.82891516
     total double counting contribution                 :  -1064.09678012

   Total contribution of atom  3 = -2540.89409672
   ----------------------------------------------------------------------
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =  -578.21858805 p =  -161.58391952

       valence  contribution :  s =     0.07548172 p =     0.08692979
                                d =     1.24239047
                                ns     -0.00095034
     single particle energies  spin  up    
         core   contribution :  s =  -578.21859277 p =  -161.58391950

       valence  contribution :  s =     0.07548172 p =     0.08692979
                                d =     1.24239042
                                ns     -0.00095034
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -1476.79731660
                                   band energy per atom :    2.8077032446

     coulomb  contribution :   0   1073.16611671  1     -0.00076249
                               2     -0.00035418  3      0.00007353
                               4      0.00091476
     --------------------------------------------------------------------
     tot. coulomb contribution :   1073.16598834

     ex.-cor. contribution :   0   -107.42534179  1     -0.00858970
                               2     -0.00245657  3     -0.00065047
                               4      0.00318524
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -107.43385329

     eff. pot. contribution     :  -2029.82891516
     total double counting contribution                 :  -1064.09678012

   Total contribution of atom  4 = -2540.89409672
   ----------------------------------------------------------------------
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =     0.03418035 p =     0.01496715
                                d =     0.00654427
                                ns      0.00005577
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =     0.03418035 p =     0.01496715
                                d =     0.00654427
                                ns      0.00005577
     --------------------------------------------------------------------
     total contribution of the single particle energies :      0.11149507
                                   band energy per atom :    0.1114950676

     coulomb  contribution :   0      0.00459903  1     -0.00672370
                               2     -0.00082568  3      0.00004428
                               4      0.00000793
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.00289814

     ex.-cor. contribution :   0     -0.05737901  1     -0.01803600
                               2     -0.00084151  3      0.00008035
                               4     -0.00006274
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.07623891

     eff. pot. contribution     :     -0.11843363
     total double counting contribution                 :     -0.19757067

   Total contribution of atom  5 =    -0.08607561
   ----------------------------------------------------------------------
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =     0.01184393 p =     0.00023985
                                d =     0.00005125
                                ns     -0.00000172
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =     0.01184393 p =     0.00023985
                                d =     0.00005125
                                ns     -0.00000172
     --------------------------------------------------------------------
     total contribution of the single particle energies :      0.02426663
                                   band energy per atom :    0.0242666255

     coulomb  contribution :   0      0.00023051  1     -0.00000354
                               2     -0.00000101  3     -0.00000010
                               4     -0.00000024
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.00022563

     ex.-cor. contribution :   0     -0.00031565  1     -0.00010947
                               2     -0.00000413  3      0.00000100
                               4      0.00000029
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.00042797

     eff. pot. contribution     :     -0.00244915
     total double counting contribution                 :     -0.00265149

   Total contribution of atom  6 =     0.02161514
   ----------------------------------------------------------------------
                                   sum of band energies :    5.8869298753
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :            -5081.91711436
                                eV  :           -69143.54787460
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
