# serial: kkrjm_v2.2-22-g4f8f5ff_openmp_20171208132839
 nth =          10
 atom:            1  NSRA:           2
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 nested omp? F
 energy:          16  (-0.287685489578152,0.222855097749120)
 energy:           6  (-0.583528301570397,0.222855097749120)
 energy:          11  (-0.474809938952813,0.222855097749120)
 energy:          38  (0.473490491382212,0.222855097749120)
 energy:          34  (0.328163665462264,0.222855097749120)
 energy:          26  (0.142169386299503,0.222855097749120)
 energy:          21  (-6.502259646208833E-002,0.222855097749120)
 energy:          42  (0.486897304770073,0.111427548874560)
 energy:          30  (0.264477171475186,0.222855097749120)
 energy:           7  (-0.569572187305698,0.222855097749120)
 energy:          35  (0.333610495371702,0.222855097749120)
 energy:          39  (0.486897304770073,0.206936876481326)
 energy:          31  (0.286425357928999,0.222855097749120)
 energy:          43  (0.486897304770073,7.959110633897150E-002)
 energy:          12  (-0.442491813486122,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          27  (0.177381302256195,0.222855097749120)
 energy:          22  (-2.070163573244360E-002,0.222855097749120)
 energy:          17  (-0.244408875497483,0.222855097749120)
 energy:          40  (0.486897304770073,0.175100433945737)
 energy:          36  (0.352691855327135,0.222855097749120)
 energy:           8  (-0.551535869158926,0.222855097749120)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          18  (-0.200087914767839,0.222855097749120)
 energy:          44  (0.486897304770073,4.775466380338290E-002)
 energy:          32  (0.304461676075771,0.222855097749120)
 energy:          13  (-0.407279897529430,0.222855097749120)
 energy:          28  (0.209699427722886,0.222855097749120)
 energy:          23  (2.257497834822506E-002,0.222855097749120)
 energy:          41  (0.486897304770073,0.143263991410149)
 energy:          37  (0.413754758619724,0.222855097749120)
 energy:           9  (-0.529587682705113,0.222855097749120)
 energy:          19  (-0.155136420054206,0.222855097749120)
 energy:           4  (-0.598721006601629,0.222855097749120)
 energy:          45  (0.486897304770073,1.591822126779430E-002)
 energy:          33  (0.318417790340470,0.222855097749120)
 energy:          14  (-0.369502953974588,0.222855097749120)
 energy:          29  (0.238822019309325,0.222855097749120)
 energy:          24  (6.440318395223033E-002,0.222855097749120)
 energy:          10  (-0.503932530539252,0.222855097749120)
 energy:          20  (-0.109974091175721,0.222855097749120)
 energy:           5  (-0.593274176692191,0.222855097749120)
 energy:          15  (-0.329513695182157,0.222855097749120)
 energy:          25  (0.104392442744661,0.222855097749120)
 nth =          10
 atom:            2  NSRA:           2
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 nested omp? F
 energy:          34  (0.328163665462264,0.222855097749120)
 energy:          21  (-6.502259646208833E-002,0.222855097749120)
 energy:           6  (-0.583528301570397,0.222855097749120)
 energy:          11  (-0.474809938952813,0.222855097749120)
 energy:          38  (0.473490491382212,0.222855097749120)
 energy:          42  (0.486897304770073,0.111427548874560)
 energy:          26  (0.142169386299503,0.222855097749120)
 energy:          30  (0.264477171475186,0.222855097749120)
 energy:          16  (-0.287685489578152,0.222855097749120)
 energy:          35  (0.333610495371702,0.222855097749120)
 energy:          39  (0.486897304770073,0.206936876481326)
 energy:           7  (-0.569572187305698,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          31  (0.286425357928999,0.222855097749120)
 energy:          43  (0.486897304770073,7.959110633897150E-002)
 energy:          17  (-0.244408875497483,0.222855097749120)
 energy:          12  (-0.442491813486122,0.222855097749120)
 energy:          27  (0.177381302256195,0.222855097749120)
 energy:          22  (-2.070163573244360E-002,0.222855097749120)
 energy:          40  (0.486897304770073,0.175100433945737)
 energy:          36  (0.352691855327135,0.222855097749120)
 energy:           8  (-0.551535869158926,0.222855097749120)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          18  (-0.200087914767839,0.222855097749120)
 energy:          32  (0.304461676075771,0.222855097749120)
 energy:          44  (0.486897304770073,4.775466380338290E-002)
 energy:          13  (-0.407279897529430,0.222855097749120)
 energy:          28  (0.209699427722886,0.222855097749120)
 energy:          23  (2.257497834822506E-002,0.222855097749120)
 energy:          41  (0.486897304770073,0.143263991410149)
 energy:          37  (0.413754758619724,0.222855097749120)
 energy:           9  (-0.529587682705113,0.222855097749120)
 energy:          19  (-0.155136420054206,0.222855097749120)
 energy:           4  (-0.598721006601629,0.222855097749120)
 energy:          33  (0.318417790340470,0.222855097749120)
 energy:          14  (-0.369502953974588,0.222855097749120)
 energy:          45  (0.486897304770073,1.591822126779430E-002)
 energy:          29  (0.238822019309325,0.222855097749120)
 energy:          24  (6.440318395223033E-002,0.222855097749120)
 energy:          10  (-0.503932530539252,0.222855097749120)
 energy:          20  (-0.109974091175721,0.222855097749120)
 energy:           5  (-0.593274176692191,0.222855097749120)
 energy:          15  (-0.329513695182157,0.222855097749120)
 energy:          25  (0.104392442744661,0.222855097749120)
 nth =          10
 atom:            3  NSRA:           2
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 nested omp? F
 energy:           6  (-0.583528301570397,0.222855097749120)
 energy:          34  (0.328163665462264,0.222855097749120)
 energy:          38  (0.473490491382212,0.222855097749120)
 energy:          21  (-6.502259646208833E-002,0.222855097749120)
 energy:          11  (-0.474809938952813,0.222855097749120)
 energy:          42  (0.486897304770073,0.111427548874560)
 energy:          26  (0.142169386299503,0.222855097749120)
 energy:          30  (0.264477171475186,0.222855097749120)
 energy:          16  (-0.287685489578152,0.222855097749120)
 energy:          35  (0.333610495371702,0.222855097749120)
 energy:          39  (0.486897304770073,0.206936876481326)
 energy:           7  (-0.569572187305698,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          43  (0.486897304770073,7.959110633897150E-002)
 energy:          31  (0.286425357928999,0.222855097749120)
 energy:          12  (-0.442491813486122,0.222855097749120)
 energy:          22  (-2.070163573244360E-002,0.222855097749120)
 energy:          27  (0.177381302256195,0.222855097749120)
 energy:          17  (-0.244408875497483,0.222855097749120)
 energy:          40  (0.486897304770073,0.175100433945737)
 energy:          36  (0.352691855327135,0.222855097749120)
 energy:           8  (-0.551535869158926,0.222855097749120)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          32  (0.304461676075771,0.222855097749120)
 energy:          44  (0.486897304770073,4.775466380338290E-002)
 energy:          13  (-0.407279897529430,0.222855097749120)
 energy:          23  (2.257497834822506E-002,0.222855097749120)
 energy:          28  (0.209699427722886,0.222855097749120)
 energy:          18  (-0.200087914767839,0.222855097749120)
 energy:          41  (0.486897304770073,0.143263991410149)
 energy:           9  (-0.529587682705113,0.222855097749120)
 energy:          37  (0.413754758619724,0.222855097749120)
 energy:           4  (-0.598721006601629,0.222855097749120)
 energy:          33  (0.318417790340470,0.222855097749120)
 energy:          14  (-0.369502953974588,0.222855097749120)
 energy:          45  (0.486897304770073,1.591822126779430E-002)
 energy:          29  (0.238822019309325,0.222855097749120)
 energy:          19  (-0.155136420054206,0.222855097749120)
 energy:          24  (6.440318395223033E-002,0.222855097749120)
 energy:          10  (-0.503932530539252,0.222855097749120)
 energy:           5  (-0.593274176692191,0.222855097749120)
 energy:          15  (-0.329513695182157,0.222855097749120)
 energy:          20  (-0.109974091175721,0.222855097749120)
 energy:          25  (0.104392442744661,0.222855097749120)
 nth =          10
 atom:            4  NSRA:           2
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 nested omp? F
 energy:          21  (-6.502259646208833E-002,0.222855097749120)
 energy:          16  (-0.287685489578152,0.222855097749120)
 energy:          42  (0.486897304770073,0.111427548874560)
 energy:          30  (0.264477171475186,0.222855097749120)
 energy:          11  (-0.474809938952813,0.222855097749120)
 energy:          26  (0.142169386299503,0.222855097749120)
 energy:          34  (0.328163665462264,0.222855097749120)
 energy:           6  (-0.583528301570397,0.222855097749120)
 energy:          38  (0.473490491382212,0.222855097749120)
 energy:          39  (0.486897304770073,0.206936876481326)
 energy:          35  (0.333610495371702,0.222855097749120)
 energy:          31  (0.286425357928999,0.222855097749120)
 energy:          43  (0.486897304770073,7.959110633897150E-002)
 energy:          17  (-0.244408875497483,0.222855097749120)
 energy:          12  (-0.442491813486122,0.222855097749120)
 energy:          22  (-2.070163573244360E-002,0.222855097749120)
 energy:           7  (-0.569572187305698,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          27  (0.177381302256195,0.222855097749120)
 energy:          40  (0.486897304770073,0.175100433945737)
 energy:          36  (0.352691855327135,0.222855097749120)
 energy:          18  (-0.200087914767839,0.222855097749120)
 energy:           8  (-0.551535869158926,0.222855097749120)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          32  (0.304461676075771,0.222855097749120)
 energy:          44  (0.486897304770073,4.775466380338290E-002)
 energy:          13  (-0.407279897529430,0.222855097749120)
 energy:          23  (2.257497834822506E-002,0.222855097749120)
 energy:          28  (0.209699427722886,0.222855097749120)
 energy:          41  (0.486897304770073,0.143263991410149)
 energy:          37  (0.413754758619724,0.222855097749120)
 energy:          19  (-0.155136420054206,0.222855097749120)
 energy:           9  (-0.529587682705113,0.222855097749120)
 energy:           4  (-0.598721006601629,0.222855097749120)
 energy:          33  (0.318417790340470,0.222855097749120)
 energy:          45  (0.486897304770073,1.591822126779430E-002)
 energy:          14  (-0.369502953974588,0.222855097749120)
 energy:          24  (6.440318395223033E-002,0.222855097749120)
 energy:          29  (0.238822019309325,0.222855097749120)
 energy:          20  (-0.109974091175721,0.222855097749120)
 energy:          10  (-0.503932530539252,0.222855097749120)
 energy:           5  (-0.593274176692191,0.222855097749120)
 energy:          15  (-0.329513695182157,0.222855097749120)
 energy:          25  (0.104392442744661,0.222855097749120)
 nth =          10
 atom:            5  NSRA:           2
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 nested omp? F
 energy:          21  (-6.502259646208833E-002,0.222855097749120)
 energy:          11  (-0.474809938952813,0.222855097749120)
 energy:           6  (-0.583528301570397,0.222855097749120)
 energy:          38  (0.473490491382212,0.222855097749120)
 energy:          16  (-0.287685489578152,0.222855097749120)
 energy:          34  (0.328163665462264,0.222855097749120)
 energy:          30  (0.264477171475186,0.222855097749120)
 energy:          42  (0.486897304770073,0.111427548874560)
 energy:          26  (0.142169386299503,0.222855097749120)
 energy:          31  (0.286425357928999,0.222855097749120)
 energy:          43  (0.486897304770073,7.959110633897150E-002)
 energy:          39  (0.486897304770073,0.206936876481326)
 energy:          12  (-0.442491813486122,0.222855097749120)
 energy:          35  (0.333610495371702,0.222855097749120)
 energy:          17  (-0.244408875497483,0.222855097749120)
 energy:          22  (-2.070163573244360E-002,0.222855097749120)
 energy:           7  (-0.569572187305698,0.222855097749120)
 energy:          27  (0.177381302256195,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          40  (0.486897304770073,0.175100433945737)
 energy:          36  (0.352691855327135,0.222855097749120)
 energy:          44  (0.486897304770073,4.775466380338290E-002)
 energy:          32  (0.304461676075771,0.222855097749120)
 energy:          13  (-0.407279897529430,0.222855097749120)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          23  (2.257497834822506E-002,0.222855097749120)
 energy:          28  (0.209699427722886,0.222855097749120)
 energy:           8  (-0.551535869158926,0.222855097749120)
 energy:          18  (-0.200087914767839,0.222855097749120)
 energy:          41  (0.486897304770073,0.143263991410149)
 energy:          37  (0.413754758619724,0.222855097749120)
 energy:          33  (0.318417790340470,0.222855097749120)
 energy:          45  (0.486897304770073,1.591822126779430E-002)
 energy:          14  (-0.369502953974588,0.222855097749120)
 energy:          24  (6.440318395223033E-002,0.222855097749120)
 energy:           4  (-0.598721006601629,0.222855097749120)
 energy:          29  (0.238822019309325,0.222855097749120)
 energy:           9  (-0.529587682705113,0.222855097749120)
 energy:          19  (-0.155136420054206,0.222855097749120)
 energy:          15  (-0.329513695182157,0.222855097749120)
 energy:           5  (-0.593274176692191,0.222855097749120)
 energy:          25  (0.104392442744661,0.222855097749120)
 energy:          10  (-0.503932530539252,0.222855097749120)
 energy:          20  (-0.109974091175721,0.222855097749120)
 nth =          10
 atom:            6  NSRA:           2
 energy:          16  (-0.287685489578152,0.222855097749120)
 energy:           6  (-0.583528301570397,0.222855097749120)
 energy:          34  (0.328163665462264,0.222855097749120)
 energy:          38  (0.473490491382212,0.222855097749120)
 energy:          42  (0.486897304770073,0.111427548874560)
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 nested omp? F
 energy:          30  (0.264477171475186,0.222855097749120)
 energy:          21  (-6.502259646208833E-002,0.222855097749120)
 energy:          11  (-0.474809938952813,0.222855097749120)
 energy:          26  (0.142169386299503,0.222855097749120)
 energy:          39  (0.486897304770073,0.206936876481326)
 energy:          35  (0.333610495371702,0.222855097749120)
 energy:           7  (-0.569572187305698,0.222855097749120)
 energy:          31  (0.286425357928999,0.222855097749120)
 energy:          43  (0.486897304770073,7.959110633897150E-002)
 energy:          12  (-0.442491813486122,0.222855097749120)
 energy:          22  (-2.070163573244360E-002,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          17  (-0.244408875497483,0.222855097749120)
 energy:          27  (0.177381302256195,0.222855097749120)
 energy:          40  (0.486897304770073,0.175100433945737)
 energy:          36  (0.352691855327135,0.222855097749120)
 energy:           8  (-0.551535869158926,0.222855097749120)
 energy:          32  (0.304461676075771,0.222855097749120)
 energy:          44  (0.486897304770073,4.775466380338290E-002)
 energy:          13  (-0.407279897529430,0.222855097749120)
 energy:          23  (2.257497834822506E-002,0.222855097749120)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          18  (-0.200087914767839,0.222855097749120)
 energy:          28  (0.209699427722886,0.222855097749120)
 energy:          41  (0.486897304770073,0.143263991410149)
 energy:          37  (0.413754758619724,0.222855097749120)
 energy:          33  (0.318417790340470,0.222855097749120)
 energy:          45  (0.486897304770073,1.591822126779430E-002)
 energy:           9  (-0.529587682705113,0.222855097749120)
 energy:          14  (-0.369502953974588,0.222855097749120)
 energy:          24  (6.440318395223033E-002,0.222855097749120)
 energy:          19  (-0.155136420054206,0.222855097749120)
 energy:           4  (-0.598721006601629,0.222855097749120)
 energy:          29  (0.238822019309325,0.222855097749120)
 energy:          15  (-0.329513695182157,0.222855097749120)
 energy:          25  (0.104392442744661,0.222855097749120)
 energy:          10  (-0.503932530539252,0.222855097749120)
 energy:          20  (-0.109974091175721,0.222855097749120)
 energy:           5  (-0.593274176692191,0.222855097749120)
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   -0.59872101    0.22285510
TBREF: GREF for energy:    5   -0.59327418    0.22285510
TBREF: GREF for energy:    6   -0.58352830    0.22285510
TBREF: GREF for energy:    7   -0.56957219    0.22285510
TBREF: GREF for energy:    8   -0.55153587    0.22285510
TBREF: GREF for energy:    9   -0.52958768    0.22285510
TBREF: GREF for energy:   10   -0.50393253    0.22285510
TBREF: GREF for energy:   11   -0.47480994    0.22285510
TBREF: GREF for energy:   12   -0.44249181    0.22285510
TBREF: GREF for energy:   13   -0.40727990    0.22285510
TBREF: GREF for energy:   14   -0.36950295    0.22285510
TBREF: GREF for energy:   15   -0.32951370    0.22285510
TBREF: GREF for energy:   16   -0.28768549    0.22285510
TBREF: GREF for energy:   17   -0.24440888    0.22285510
TBREF: GREF for energy:   18   -0.20008791    0.22285510
TBREF: GREF for energy:   19   -0.15513642    0.22285510
TBREF: GREF for energy:   20   -0.10997409    0.22285510
TBREF: GREF for energy:   21   -0.06502260    0.22285510
TBREF: GREF for energy:   22   -0.02070164    0.22285510
TBREF: GREF for energy:   23    0.02257498    0.22285510
TBREF: GREF for energy:   24    0.06440318    0.22285510
TBREF: GREF for energy:   25    0.10439244    0.22285510
TBREF: GREF for energy:   26    0.14216939    0.22285510
TBREF: GREF for energy:   27    0.17738130    0.22285510
TBREF: GREF for energy:   28    0.20969943    0.22285510
TBREF: GREF for energy:   29    0.23882202    0.22285510
TBREF: GREF for energy:   30    0.26447717    0.22285510
TBREF: GREF for energy:   31    0.28642536    0.22285510
TBREF: GREF for energy:   32    0.30446168    0.22285510
TBREF: GREF for energy:   33    0.31841779    0.22285510
TBREF: GREF for energy:   34    0.32816367    0.22285510
TBREF: GREF for energy:   35    0.33361050    0.22285510
TBREF: GREF for energy:   36    0.35269186    0.22285510
TBREF: GREF for energy:   37    0.41375476    0.22285510
TBREF: GREF for energy:   38    0.47349049    0.22285510
TBREF: GREF for energy:   39    0.48689730    0.20693688
TBREF: GREF for energy:   40    0.48689730    0.17510043
TBREF: GREF for energy:   41    0.48689730    0.14326399
TBREF: GREF for energy:   42    0.48689730    0.11142755
TBREF: GREF for energy:   43    0.48689730    0.07959111
TBREF: GREF for energy:   44    0.48689730    0.04775466
TBREF: GREF for energy:   45    0.48689730    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 =  -0.598721   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =   5 ENERGY =  -0.593274   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =   6 ENERGY =  -0.583528   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =   7 ENERGY =  -0.569572   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =   8 ENERGY =  -0.551536   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =   9 ENERGY =  -0.529588   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  10 ENERGY =  -0.503933   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  11 ENERGY =  -0.474810   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  12 ENERGY =  -0.442492   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  13 ENERGY =  -0.407280   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  14 ENERGY =  -0.369503   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  15 ENERGY =  -0.329514   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  16 ENERGY =  -0.287685   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  17 ENERGY =  -0.244409   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  18 ENERGY =  -0.200088   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  19 ENERGY =  -0.155136   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  20 ENERGY =  -0.109974   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  21 ENERGY =  -0.065023   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  22 ENERGY =  -0.020702   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  23 ENERGY =   0.022575   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  24 ENERGY =   0.064403   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  25 ENERGY =   0.104392   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  26 ENERGY =   0.142169   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  27 ENERGY =   0.177381   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  28 ENERGY =   0.209699   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  29 ENERGY =   0.238822   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  30 ENERGY =   0.264477   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  31 ENERGY =   0.286425   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  32 ENERGY =   0.304462   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  33 ENERGY =   0.318418   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  34 ENERGY =   0.328164   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  35 ENERGY =   0.333610   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  36 ENERGY =   0.352692   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  37 ENERGY =   0.413755   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  38 ENERGY =   0.473490   0.222855 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  39 ENERGY =   0.486897   0.206937 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  40 ENERGY =   0.486897   0.175100 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  41 ENERGY =   0.486897   0.143264 KMESH =   4
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||| 
 ************ IE =  42 ENERGY =   0.486897   0.111428 KMESH =   3
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| 
 ************ IE =  43 ENERGY =   0.486897   0.079591 KMESH =   3
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| 
 ************ IE =  44 ENERGY =   0.486897   0.047755 KMESH =   2
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 |||||||||||||||||||||||||||||||||||||||||||||||||||||||||| 
 ************ IE =  45 ENERGY =   0.486897   0.015918 KMESH =   1
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||||||||||||||||||||||||||||||||||||||||||||||||||| 
===============================================================================
                              < KKR1b finished >
===============================================================================

 nth =          10
 atom:            1
 energy:          42  (0.486897304770073,0.111427548874560)
 energy:          21  (-6.502259646208833E-002,0.222855097749120)
 energy:          30  (0.264477171475186,0.222855097749120)
 energy:          26  (0.142169386299503,0.222855097749120)
 energy:          11  (-0.474809938952813,0.222855097749120)
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 energy:          34  (0.328163665462264,0.222855097749120)
 energy:          38  (0.473490491382212,0.222855097749120)
 energy:          16  (-0.287685489578152,0.222855097749120)
 energy:           6  (-0.583528301570397,0.222855097749120)
 energy:          35  (0.333610495371702,0.222855097749120)
 energy:           7  (-0.569572187305698,0.222855097749120)
 energy:          31  (0.286425357928999,0.222855097749120)
 energy:          43  (0.486897304770073,7.959110633897150E-002)
 energy:          12  (-0.442491813486122,0.222855097749120)
 energy:          39  (0.486897304770073,0.206936876481326)
 energy:          22  (-2.070163573244360E-002,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          27  (0.177381302256195,0.222855097749120)
 energy:          17  (-0.244408875497483,0.222855097749120)
 energy:          36  (0.352691855327135,0.222855097749120)
 energy:           8  (-0.551535869158926,0.222855097749120)
 energy:          32  (0.304461676075771,0.222855097749120)
 energy:          44  (0.486897304770073,4.775466380338290E-002)
 energy:          13  (-0.407279897529430,0.222855097749120)
 energy:          40  (0.486897304770073,0.175100433945737)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          28  (0.209699427722886,0.222855097749120)
 energy:          23  (2.257497834822506E-002,0.222855097749120)
 energy:          18  (-0.200087914767839,0.222855097749120)
 energy:          37  (0.413754758619724,0.222855097749120)
 energy:           9  (-0.529587682705113,0.222855097749120)
 energy:          33  (0.318417790340470,0.222855097749120)
 energy:          45  (0.486897304770073,1.591822126779430E-002)
 energy:          14  (-0.369502953974588,0.222855097749120)
 energy:           4  (-0.598721006601629,0.222855097749120)
 energy:          41  (0.486897304770073,0.143263991410149)
 energy:          19  (-0.155136420054206,0.222855097749120)
 energy:          24  (6.440318395223033E-002,0.222855097749120)
 energy:          29  (0.238822019309325,0.222855097749120)
 energy:          10  (-0.503932530539252,0.222855097749120)
 energy:          15  (-0.329513695182157,0.222855097749120)
 energy:          25  (0.104392442744661,0.222855097749120)
 energy:          20  (-0.109974091175721,0.222855097749120)
 energy:           5  (-0.593274176692191,0.222855097749120)
 moment           0  2.827181644449193E-020 -1.973256928234673E-020
  3.004014250566067E-004
  0.000000000000000E+000  0.000000000000000E+000
 nth =          10
 atom:            2
 energy:          34  (0.328163665462264,0.222855097749120)
 energy:           6  (-0.583528301570397,0.222855097749120)
 energy:          38  (0.473490491382212,0.222855097749120)
 energy:          16  (-0.287685489578152,0.222855097749120)
 energy:          42  (0.486897304770073,0.111427548874560)
 energy:          21  (-6.502259646208833E-002,0.222855097749120)
 energy:          11  (-0.474809938952813,0.222855097749120)
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 energy:          26  (0.142169386299503,0.222855097749120)
 energy:          30  (0.264477171475186,0.222855097749120)
 energy:           7  (-0.569572187305698,0.222855097749120)
 energy:          35  (0.333610495371702,0.222855097749120)
 energy:          17  (-0.244408875497483,0.222855097749120)
 energy:          39  (0.486897304770073,0.206936876481326)
 energy:          31  (0.286425357928999,0.222855097749120)
 energy:          43  (0.486897304770073,7.959110633897150E-002)
 energy:          27  (0.177381302256195,0.222855097749120)
 energy:          12  (-0.442491813486122,0.222855097749120)
 energy:          22  (-2.070163573244360E-002,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:           8  (-0.551535869158926,0.222855097749120)
 energy:          36  (0.352691855327135,0.222855097749120)
 energy:          18  (-0.200087914767839,0.222855097749120)
 energy:          40  (0.486897304770073,0.175100433945737)
 energy:          32  (0.304461676075771,0.222855097749120)
 energy:          44  (0.486897304770073,4.775466380338290E-002)
 energy:          28  (0.209699427722886,0.222855097749120)
 energy:          13  (-0.407279897529430,0.222855097749120)
 energy:          23  (2.257497834822506E-002,0.222855097749120)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:           9  (-0.529587682705113,0.222855097749120)
 energy:          37  (0.413754758619724,0.222855097749120)
 energy:          19  (-0.155136420054206,0.222855097749120)
 energy:          41  (0.486897304770073,0.143263991410149)
 energy:          33  (0.318417790340470,0.222855097749120)
 energy:          45  (0.486897304770073,1.591822126779430E-002)
 energy:          29  (0.238822019309325,0.222855097749120)
 energy:          14  (-0.369502953974588,0.222855097749120)
 energy:          24  (6.440318395223033E-002,0.222855097749120)
 energy:           4  (-0.598721006601629,0.222855097749120)
 energy:          10  (-0.503932530539252,0.222855097749120)
 energy:          20  (-0.109974091175721,0.222855097749120)
 energy:          15  (-0.329513695182157,0.222855097749120)
 energy:          25  (0.104392442744661,0.222855097749120)
 energy:           5  (-0.593274176692191,0.222855097749120)
 moment           0 -2.570786750821995E-021  7.588201872585438E-019
  1.996180949275583E-002
  0.000000000000000E+000  0.000000000000000E+000
 nth =          10
 atom:            3
 energy:          21  (-6.502259646208833E-002,0.222855097749120)
 energy:          30  (0.264477171475186,0.222855097749120)
 energy:          11  (-0.474809938952813,0.222855097749120)
 energy:          42  (0.486897304770073,0.111427548874560)
 energy:          26  (0.142169386299503,0.222855097749120)
 energy:          16  (-0.287685489578152,0.222855097749120)
 energy:           6  (-0.583528301570397,0.222855097749120)
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 energy:          38  (0.473490491382212,0.222855097749120)
 energy:          34  (0.328163665462264,0.222855097749120)
 energy:          31  (0.286425357928999,0.222855097749120)
 energy:          43  (0.486897304770073,7.959110633897150E-002)
 energy:          17  (-0.244408875497483,0.222855097749120)
 energy:          39  (0.486897304770073,0.206936876481326)
 energy:          35  (0.333610495371702,0.222855097749120)
 energy:          22  (-2.070163573244360E-002,0.222855097749120)
 energy:           7  (-0.569572187305698,0.222855097749120)
 energy:          12  (-0.442491813486122,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          27  (0.177381302256195,0.222855097749120)
 energy:          32  (0.304461676075771,0.222855097749120)
 energy:          44  (0.486897304770073,4.775466380338290E-002)
 energy:          18  (-0.200087914767839,0.222855097749120)
 energy:          40  (0.486897304770073,0.175100433945737)
 energy:          23  (2.257497834822506E-002,0.222855097749120)
 energy:          36  (0.352691855327135,0.222855097749120)
 energy:          13  (-0.407279897529430,0.222855097749120)
 energy:          28  (0.209699427722886,0.222855097749120)
 energy:           8  (-0.551535869158926,0.222855097749120)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          33  (0.318417790340470,0.222855097749120)
 energy:          45  (0.486897304770073,1.591822126779430E-002)
 energy:          41  (0.486897304770073,0.143263991410149)
 energy:          37  (0.413754758619724,0.222855097749120)
 energy:          24  (6.440318395223033E-002,0.222855097749120)
 energy:          19  (-0.155136420054206,0.222855097749120)
 energy:          14  (-0.369502953974588,0.222855097749120)
 energy:          29  (0.238822019309325,0.222855097749120)
 energy:           9  (-0.529587682705113,0.222855097749120)
 energy:           4  (-0.598721006601629,0.222855097749120)
 energy:          20  (-0.109974091175721,0.222855097749120)
 energy:          15  (-0.329513695182157,0.222855097749120)
 energy:          25  (0.104392442744661,0.222855097749120)
 energy:          10  (-0.503932530539252,0.222855097749120)
 energy:           5  (-0.593274176692191,0.222855097749120)
 moment           0  4.404666723759123E-018  1.950835721448068E-017
   2.15302198612393     
  0.000000000000000E+000  0.000000000000000E+000
 nth =          10
 atom:            4
 energy:          42  (0.486897304770073,0.111427548874560)
 energy:          11  (-0.474809938952813,0.222855097749120)
 energy:          16  (-0.287685489578152,0.222855097749120)
 energy:          38  (0.473490491382212,0.222855097749120)
 energy:          30  (0.264477171475186,0.222855097749120)
 energy:          34  (0.328163665462264,0.222855097749120)
 energy:          21  (-6.502259646208833E-002,0.222855097749120)
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 energy:          26  (0.142169386299503,0.222855097749120)
 energy:           6  (-0.583528301570397,0.222855097749120)
 energy:          39  (0.486897304770073,0.206936876481326)
 energy:          43  (0.486897304770073,7.959110633897150E-002)
 energy:          31  (0.286425357928999,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          35  (0.333610495371702,0.222855097749120)
 energy:          17  (-0.244408875497483,0.222855097749120)
 energy:          27  (0.177381302256195,0.222855097749120)
 energy:          12  (-0.442491813486122,0.222855097749120)
 energy:          22  (-2.070163573244360E-002,0.222855097749120)
 energy:           7  (-0.569572187305698,0.222855097749120)
 energy:          40  (0.486897304770073,0.175100433945737)
 energy:          36  (0.352691855327135,0.222855097749120)
 energy:          18  (-0.200087914767839,0.222855097749120)
 energy:          28  (0.209699427722886,0.222855097749120)
 energy:          44  (0.486897304770073,4.775466380338290E-002)
 energy:          32  (0.304461676075771,0.222855097749120)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          23  (2.257497834822506E-002,0.222855097749120)
 energy:           8  (-0.551535869158926,0.222855097749120)
 energy:          13  (-0.407279897529430,0.222855097749120)
 energy:          41  (0.486897304770073,0.143263991410149)
 energy:          37  (0.413754758619724,0.222855097749120)
 energy:          45  (0.486897304770073,1.591822126779430E-002)
 energy:          19  (-0.155136420054206,0.222855097749120)
 energy:          29  (0.238822019309325,0.222855097749120)
 energy:          33  (0.318417790340470,0.222855097749120)
 energy:           4  (-0.598721006601629,0.222855097749120)
 energy:          24  (6.440318395223033E-002,0.222855097749120)
 energy:           9  (-0.529587682705113,0.222855097749120)
 energy:          14  (-0.369502953974588,0.222855097749120)
 energy:          20  (-0.109974091175721,0.222855097749120)
 energy:           5  (-0.593274176692191,0.222855097749120)
 energy:          25  (0.104392442744661,0.222855097749120)
 energy:          10  (-0.503932530539252,0.222855097749120)
 energy:          15  (-0.329513695182157,0.222855097749120)
 moment           0 -9.047688240468830E-018 -2.010888123526054E-017
   2.15302198612395     
  0.000000000000000E+000  0.000000000000000E+000
 nth =          10
 atom:            5
 energy:          26  (0.142169386299503,0.222855097749120)
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 energy:          21  (-6.502259646208833E-002,0.222855097749120)
 energy:          16  (-0.287685489578152,0.222855097749120)
 energy:          11  (-0.474809938952813,0.222855097749120)
 energy:           6  (-0.583528301570397,0.222855097749120)
 energy:          38  (0.473490491382212,0.222855097749120)
 energy:          42  (0.486897304770073,0.111427548874560)
 energy:          30  (0.264477171475186,0.222855097749120)
 energy:          34  (0.328163665462264,0.222855097749120)
 energy:          39  (0.486897304770073,0.206936876481326)
 energy:          43  (0.486897304770073,7.959110633897150E-002)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          31  (0.286425357928999,0.222855097749120)
 energy:          35  (0.333610495371702,0.222855097749120)
 energy:          27  (0.177381302256195,0.222855097749120)
 energy:           7  (-0.569572187305698,0.222855097749120)
 energy:          17  (-0.244408875497483,0.222855097749120)
 energy:          22  (-2.070163573244360E-002,0.222855097749120)
 energy:          12  (-0.442491813486122,0.222855097749120)
 energy:          40  (0.486897304770073,0.175100433945737)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:           8  (-0.551535869158926,0.222855097749120)
 energy:          44  (0.486897304770073,4.775466380338290E-002)
 energy:          32  (0.304461676075771,0.222855097749120)
 energy:          28  (0.209699427722886,0.222855097749120)
 energy:          13  (-0.407279897529430,0.222855097749120)
 energy:          18  (-0.200087914767839,0.222855097749120)
 energy:          23  (2.257497834822506E-002,0.222855097749120)
 energy:          36  (0.352691855327135,0.222855097749120)
 energy:          41  (0.486897304770073,0.143263991410149)
 energy:           9  (-0.529587682705113,0.222855097749120)
 energy:          37  (0.413754758619724,0.222855097749120)
 energy:           4  (-0.598721006601629,0.222855097749120)
 energy:          33  (0.318417790340470,0.222855097749120)
 energy:          29  (0.238822019309325,0.222855097749120)
 energy:          24  (6.440318395223033E-002,0.222855097749120)
 energy:          19  (-0.155136420054206,0.222855097749120)
 energy:          45  (0.486897304770073,1.591822126779430E-002)
 energy:          14  (-0.369502953974588,0.222855097749120)
 energy:          10  (-0.503932530539252,0.222855097749120)
 energy:           5  (-0.593274176692191,0.222855097749120)
 energy:          25  (0.104392442744661,0.222855097749120)
 energy:          20  (-0.109974091175721,0.222855097749120)
 energy:          15  (-0.329513695182157,0.222855097749120)
 moment           0  1.650586044446375E-019 -3.501748514968241E-019
  1.996180949275694E-002
  0.000000000000000E+000  0.000000000000000E+000
 nth =          10
 atom:            6
 energy:          11  (-0.474809938952813,0.222855097749120)
 energy:          21  (-6.502259646208833E-002,0.222855097749120)
 energy:          26  (0.142169386299503,0.222855097749120)
 energy:          30  (0.264477171475186,0.222855097749120)
 energy:           1  (-0.600000000000000,2.511614065458324E-002)
 energy:           6  (-0.583528301570397,0.222855097749120)
 energy:          16  (-0.287685489578152,0.222855097749120)
 energy:          38  (0.473490491382212,0.222855097749120)
 energy:          42  (0.486897304770073,0.111427548874560)
 energy:          34  (0.328163665462264,0.222855097749120)
 energy:          39  (0.486897304770073,0.206936876481326)
 energy:           7  (-0.569572187305698,0.222855097749120)
 energy:           2  (-0.600000000000000,0.111427548874560)
 energy:          31  (0.286425357928999,0.222855097749120)
 energy:          35  (0.333610495371702,0.222855097749120)
 energy:          43  (0.486897304770073,7.959110633897150E-002)
 energy:          17  (-0.244408875497483,0.222855097749120)
 energy:          12  (-0.442491813486122,0.222855097749120)
 energy:          22  (-2.070163573244360E-002,0.222855097749120)
 energy:          27  (0.177381302256195,0.222855097749120)
 energy:          40  (0.486897304770073,0.175100433945737)
 energy:           8  (-0.551535869158926,0.222855097749120)
 energy:           3  (-0.600000000000000,0.197738957094537)
 energy:          32  (0.304461676075771,0.222855097749120)
 energy:          36  (0.352691855327135,0.222855097749120)
 energy:          44  (0.486897304770073,4.775466380338290E-002)
 energy:          13  (-0.407279897529430,0.222855097749120)
 energy:          23  (2.257497834822506E-002,0.222855097749120)
 energy:          18  (-0.200087914767839,0.222855097749120)
 energy:          28  (0.209699427722886,0.222855097749120)
 energy:          41  (0.486897304770073,0.143263991410149)
 energy:           9  (-0.529587682705113,0.222855097749120)
 energy:           4  (-0.598721006601629,0.222855097749120)
 energy:          33  (0.318417790340470,0.222855097749120)
 energy:          45  (0.486897304770073,1.591822126779430E-002)
 energy:          37  (0.413754758619724,0.222855097749120)
 energy:          14  (-0.369502953974588,0.222855097749120)
 energy:          24  (6.440318395223033E-002,0.222855097749120)
 energy:          29  (0.238822019309325,0.222855097749120)
 energy:          19  (-0.155136420054206,0.222855097749120)
 energy:          10  (-0.503932530539252,0.222855097749120)
 energy:          15  (-0.329513695182157,0.222855097749120)
 energy:          25  (0.104392442744661,0.222855097749120)
 energy:           5  (-0.593274176692191,0.222855097749120)
 energy:          20  (-0.109974091175721,0.222855097749120)
 moment           0  1.688876140392900E-020  1.394117102120743E-019
  3.004014250569398E-004
  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 =  0.00108238  0.00127237    0.0002    0.0000  0.0000  0.0000
          p =  0.00043786  0.00053061    0.0001    0.0000  0.0000 -0.0000
          d =  0.00008318  0.00010237    0.0000   -0.0000  0.0000 -0.0000
          ns  -0.00000197 -0.00000349   -0.0000    0.0000  0.0000  0.0000
          ---------------------------------------------------------------
          TOT  0.00160146  0.00190186    0.0003   -0.0000  0.0000 -0.0000
                           0.00350332              0.0003
   ==================================================================
      2   s =  0.05003486  0.05723535    0.0072    0.0000  0.0000  0.0000
          p =  0.03308502  0.04055765    0.0075   -0.0001 -0.0001 -0.0000
          d =  0.01347968  0.01905174    0.0056   -0.0001 -0.0001  0.0000
          ns   0.00011438 -0.00016899   -0.0003    0.0000  0.0000  0.0000
          ---------------------------------------------------------------
          TOT  0.09671394  0.11667575    0.0200   -0.0002 -0.0002 -0.0000
                           0.21338969              0.0198
   ==================================================================
      3   s =  0.29805525  0.29477924   -0.0033    0.0000  0.0000  0.0000
          p =  0.24912123  0.25472034    0.0056   -0.0003  0.0023 -0.0026
          d =  2.23019571  4.37908508    2.1489    0.0603  0.0915 -0.0312
          ns  -0.00526176 -0.00345224    0.0018    0.0000  0.0000  0.0000
          ---------------------------------------------------------------
          TOT  2.77211043  4.92513242    2.1530    0.0599  0.0938 -0.0338
                           7.69724285              2.2129
   ==================================================================
      4   s =  0.29805525  0.29477924   -0.0033    0.0000  0.0000  0.0000
          p =  0.24912123  0.25472034    0.0056   -0.0003  0.0023 -0.0026
          d =  2.23019571  4.37908508    2.1489    0.0603  0.0915 -0.0312
          ns  -0.00526176 -0.00345224    0.0018    0.0000  0.0000  0.0000
          ---------------------------------------------------------------
          TOT  2.77211043  4.92513242    2.1530    0.0599  0.0938 -0.0338
                           7.69724285              2.2129
   ==================================================================
      5   s =  0.05003486  0.05723535    0.0072    0.0000  0.0000  0.0000
          p =  0.03308502  0.04055765    0.0075   -0.0001 -0.0001 -0.0000
          d =  0.01347968  0.01905174    0.0056   -0.0001 -0.0001  0.0000
          ns   0.00011438 -0.00016899   -0.0003    0.0000  0.0000  0.0000
          ---------------------------------------------------------------
          TOT  0.09671394  0.11667575    0.0200   -0.0002 -0.0002 -0.0000
                           0.21338969              0.0198
   ==================================================================
      6   s =  0.00108238  0.00127237    0.0002    0.0000  0.0000  0.0000
          p =  0.00043786  0.00053061    0.0001    0.0000  0.0000 -0.0000
          d =  0.00008318  0.00010237    0.0000   -0.0000  0.0000 -0.0000
          ns  -0.00000197 -0.00000349   -0.0000    0.0000  0.0000  0.0000
          ---------------------------------------------------------------
          TOT  0.00160146  0.00190186    0.0003   -0.0000  0.0000 -0.0000
                           0.00350332              0.0003
 
##############################################################################
 
 Sum of valence charges of atoms (local summation)   15.8282717218552     
 
##############################################################################
                                 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 =  0.003503
       spin moment in wigner seitz cell =  0.000300
  =============================================================================
  Atom    2 charge in wigner seitz cell =  0.213390
       spin moment in wigner seitz cell =  0.019962
  =============================================================================
  Atom    3 charge in wigner seitz cell = 25.697244
       spin moment in wigner seitz cell =  2.153022
  =============================================================================
  Atom    4 charge in wigner seitz cell = 25.697244
       spin moment in wigner seitz cell =  2.153022
  =============================================================================
  Atom    5 charge in wigner seitz cell =  0.213390
       spin moment in wigner seitz cell =  0.019962
  =============================================================================
  Atom    6 charge in wigner seitz cell =  0.003503
       spin moment in wigner seitz cell =  0.000300
 
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =    -0.171726
                    TOTAL mag. moment in unit cell =     4.346569
 
                old E Fermi   0.4868973048 Delta E_F =  -0.31753994E-02
                new E FERMI   0.4900727042  DOS(E_F) =     9.013371
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

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

                ATOM   Delta_Q     MONOPOLE       DIPOLE
               ---------------------------------------------
                  1    0.003503  8.098132D-02  1.146684D-03
                  2    0.213390 -1.572299D-01  4.569478D-02
                  3   -0.302756  2.431668D-02  2.731148D-02
                  4   -0.302756  2.431668D-02 -2.731148D-02
                  5    0.213390 -1.572299D-01 -4.569478D-02
                  6    0.003503  8.098132D-02 -1.146684D-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.   -46.269371626  VMT ZERO     0.852976748
===============================================================================

 MIXSTR  1.000000000000000E-002
      rms-error for atom  1 :v+ + v- =  2.6244D-01  ,  v+ - v- =  1.8930D-03
      rms-error non spherical contribution for atom   1 :v+ + v- =  3.5912D-02  ,  v+ - v- =  4.3561D-05
      rms-error for atom  2 :v+ + v- =  5.2778D-02  ,  v+ - v- =  1.6454D-03
      rms-error non spherical contribution for atom   2 :v+ + v- =  1.3010D-01  ,  v+ - v- =  7.1553D-04
      rms-error for atom  3 :v+ + v- =  1.7549D-01  ,  v+ - v- =  7.7655D-03
      rms-error non spherical contribution for atom   3 :v+ + v- =  1.4257D-01  ,  v+ - v- =  2.1703D-03
      rms-error for atom  4 :v+ + v- =  1.7549D-01  ,  v+ - v- =  7.7655D-03
      rms-error non spherical contribution for atom   4 :v+ + v- =  1.4257D-01  ,  v+ - v- =  2.1703D-03
      rms-error for atom  5 :v+ + v- =  5.2778D-02  ,  v+ - v- =  1.6454D-03
      rms-error non spherical contribution for atom   5 :v+ + v- =  1.3010D-01  ,  v+ - v- =  7.1553D-04
      rms-error for atom  6 :v+ + v- =  2.6244D-01  ,  v+ - v- =  1.8930D-03
      rms-error non spherical contribution for atom   6 :v+ + v- =  3.5912D-02  ,  v+ - v- =  4.3561D-05
-------------------------------------------------------------------------------

      ITERATION  10 average rms-error : v+ + v- =  2.1679D-01
                                        v+ - v- =  4.8928D-03
-------------------------------------------------------------------------------
                    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 =     0.00743955 p =     0.00018219
                                d =     0.00004164
                                ns     -0.00000159
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =     0.00749861 p =     0.00020920
                                d =     0.00004716
                                ns     -0.00000229
     --------------------------------------------------------------------
     total contribution of the single particle energies :      0.01541449
                                   band energy per atom :    0.0154144884

     coulomb  contribution :   0      0.00016113  1     -0.00000287
                               2     -0.00000083  3     -0.00000009
                               4     -0.00000023
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.00015712

     ex.-cor. contribution :   0     -0.00026848  1     -0.00009072
                               2     -0.00000323  3      0.00000084
                               4      0.00000035
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.00036124

     eff. pot. contribution     :     -0.00213330
     total double counting contribution                 :     -0.00233742

   Total contribution of atom  1 =     0.01307707
   ----------------------------------------------------------------------
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =     0.02705475 p =     0.01286588
                                d =     0.00530953
                                ns      0.00006314
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =     0.02823345 p =     0.01442542
                                d =     0.00684510
                                ns     -0.00007711
     --------------------------------------------------------------------
     total contribution of the single particle energies :      0.09472017
                                   band energy per atom :    0.0947201655

     coulomb  contribution :   0      0.00284272  1     -0.00547655
                               2     -0.00060747  3      0.00006792
                               4      0.00000404
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.00316933

     ex.-cor. contribution :   0     -0.05211680  1     -0.01710077
                               2     -0.00103924  3      0.00014338
                               4      0.00000724
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.07010620

     eff. pot. contribution     :     -0.10917469
     total double counting contribution                 :     -0.18245023

   Total contribution of atom  2 =    -0.08773006
   ----------------------------------------------------------------------
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =  -578.10568051 p =  -161.30031638

       valence  contribution :  s =     0.07563759 p =     0.08672940
                                d =     0.86730907
                                ns     -0.00179234
     single particle energies  spin  up    
         core   contribution :  s =  -578.29519528 p =  -161.80145437

       valence  contribution :  s =     0.06569702 p =     0.07878901
                                d =     1.60859933
                                ns     -0.00076603
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -1476.72244350
                                   band energy per atom :    2.7802030499

     coulomb  contribution :   0   1076.43074744  1      0.00306032
                               2     -0.00049267  3     -0.00010626
                               4      0.00038437
     --------------------------------------------------------------------
     tot. coulomb contribution :   1076.43359320

     ex.-cor. contribution :   0   -107.65843033  1     -0.00941248
                               2     -0.00254112  3     -0.00039596
                               4      0.00418369
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -107.66659620

     eff. pot. contribution     :  -2032.94910125
     total double counting contribution                 :  -1064.18210425

   Total contribution of atom  3 = -2540.90454775
   ----------------------------------------------------------------------
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =  -578.10568051 p =  -161.30031638

       valence  contribution :  s =     0.07563759 p =     0.08672940
                                d =     0.86730907
                                ns     -0.00179234
     single particle energies  spin  up    
         core   contribution :  s =  -578.29519528 p =  -161.80145437

       valence  contribution :  s =     0.06569702 p =     0.07878901
                                d =     1.60859933
                                ns     -0.00076603
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -1476.72244350
                                   band energy per atom :    2.7802030499

     coulomb  contribution :   0   1076.43074744  1      0.00306032
                               2     -0.00049267  3     -0.00010626
                               4      0.00038437
     --------------------------------------------------------------------
     tot. coulomb contribution :   1076.43359320

     ex.-cor. contribution :   0   -107.65843033  1     -0.00941248
                               2     -0.00254112  3     -0.00039596
                               4      0.00418369
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -107.66659620

     eff. pot. contribution     :  -2032.94910125
     total double counting contribution                 :  -1064.18210425

   Total contribution of atom  4 = -2540.90454775
   ----------------------------------------------------------------------
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =     0.02705475 p =     0.01286588
                                d =     0.00530953
                                ns      0.00006314
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =     0.02823345 p =     0.01442542
                                d =     0.00684510
                                ns     -0.00007711
     --------------------------------------------------------------------
     total contribution of the single particle energies :      0.09472017
                                   band energy per atom :    0.0947201655

     coulomb  contribution :   0      0.00284272  1     -0.00547655
                               2     -0.00060747  3      0.00006792
                               4      0.00000404
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.00316933

     ex.-cor. contribution :   0     -0.05211680  1     -0.01710077
                               2     -0.00103924  3      0.00014338
                               4      0.00000724
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.07010620

     eff. pot. contribution     :     -0.10917469
     total double counting contribution                 :     -0.18245023

   Total contribution of atom  5 =    -0.08773006
   ----------------------------------------------------------------------
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =     0.00743955 p =     0.00018219
                                d =     0.00004164
                                ns     -0.00000159
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =     0.00749861 p =     0.00020920
                                d =     0.00004716
                                ns     -0.00000229
     --------------------------------------------------------------------
     total contribution of the single particle energies :      0.01541449
                                   band energy per atom :    0.0154144884

     coulomb  contribution :   0      0.00016113  1     -0.00000287
                               2     -0.00000083  3     -0.00000009
                               4     -0.00000023
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.00015712

     ex.-cor. contribution :   0     -0.00026848  1     -0.00009072
                               2     -0.00000323  3      0.00000084
                               4      0.00000035
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.00036124

     eff. pot. contribution     :     -0.00213330
     total double counting contribution                 :     -0.00233742

   Total contribution of atom  6 =     0.01307707
   ----------------------------------------------------------------------
                                   sum of band energies :    5.7806754076
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :            -5081.95840149
                                eV  :           -69144.10961893
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
