# serial: kkrjm_v2.2-62-g7801b9a_mpi_20180115094957
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 12, #of points= 2
Task 6 treats points 13 to 14, #of points= 2
Task 7 treats points 15 to 16, #of points= 2
Task 8 treats points 17 to 17, #of points= 1
Task 9 treats points 18 to 18, #of points= 1
Task 10 treats points 19 to 19, #of points= 1
Task 11 treats points 20 to 20, #of points= 1
 ==========================================
 atom:            1
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 24, #of points= 24
 ==========================================
 CALCTMAT: IE=           1  ATOM:           1
 energy:           1  (-0.500000000000000,4.395324614552068E-002)
 CALCTMAT: IE=           2  ATOM:           1
 energy:           2  (-0.500000000000000,0.194998210530480)
 CALCTMAT: IE=           3  ATOM:           1
 energy:           3  (-0.500000000000000,0.346043174915440)
 CALCTMAT: IE=           4  ATOM:           1
 energy:           4  (-0.493563496761321,0.389996421060960)
 CALCTMAT: IE=           5  ATOM:           1
 energy:           5  (-0.466611063882173,0.389996421060960)
 CALCTMAT: IE=           6  ATOM:           1
 energy:           6  (-0.420221844766120,0.389996421060960)
 CALCTMAT: IE=           7  ATOM:           1
 energy:           7  (-0.357825055404513,0.389996421060960)
 CALCTMAT: IE=           8  ATOM:           1
 energy:           8  (-0.284046942353410,0.389996421060960)
 CALCTMAT: IE=           9  ATOM:           1
 energy:           9  (-0.204358909898172,0.389996421060960)
 CALCTMAT: IE=          10  ATOM:           1
 energy:          10  (-0.124670877442934,0.389996421060960)
 CALCTMAT: IE=          11  ATOM:           1
 energy:          11  (-5.089276439183116E-002,0.389996421060960)
 CALCTMAT: IE=          12  ATOM:           1
 energy:          12  (1.150402496977554E-002,0.389996421060960)
 CALCTMAT: IE=          13  ATOM:           1
 energy:          13  (5.789324408582880E-002,0.389996421060960)
 CALCTMAT: IE=          14  ATOM:           1
 energy:          14  (8.484567696497625E-002,0.389996421060960)
 CALCTMAT: IE=          15  ATOM:           1
 energy:          15  (0.122436321678514,0.389996421060960)
 CALCTMAT: IE=          16  ATOM:           1
 energy:          16  (0.229296402440545,0.389996421060960)
 CALCTMAT: IE=          17  ATOM:           1
 energy:          17  (0.333833934774899,0.389996421060960)
 CALCTMAT: IE=          18  ATOM:           1
 energy:          18  (0.357295858203656,0.362139533842320)
 CALCTMAT: IE=          19  ATOM:           1
 energy:          19  (0.357295858203656,0.306425759405040)
 CALCTMAT: IE=          20  ATOM:           1
 energy:          20  (0.357295858203656,0.250711984967760)
 CALCTMAT: IE=          21  ATOM:           1
 energy:          21  (0.357295858203656,0.194998210530480)
 CALCTMAT: IE=          22  ATOM:           1
 energy:          22  (0.357295858203656,0.139284436093200)
 CALCTMAT: IE=          23  ATOM:           1
 energy:          23  (0.357295858203656,8.357066165592009E-002)
 CALCTMAT: IE=          24  ATOM:           1
 energy:          24  (0.357295858203656,2.785688721864003E-002)
 atom:            2
 CALCTMAT: IE=           1  ATOM:           2
 energy:           1  (-0.500000000000000,4.395324614552068E-002)
 CALCTMAT: IE=           2  ATOM:           2
 energy:           2  (-0.500000000000000,0.194998210530480)
 CALCTMAT: IE=           3  ATOM:           2
 energy:           3  (-0.500000000000000,0.346043174915440)
 CALCTMAT: IE=           4  ATOM:           2
 energy:           4  (-0.493563496761321,0.389996421060960)
 CALCTMAT: IE=           5  ATOM:           2
 energy:           5  (-0.466611063882173,0.389996421060960)
 CALCTMAT: IE=           6  ATOM:           2
 energy:           6  (-0.420221844766120,0.389996421060960)
 CALCTMAT: IE=           7  ATOM:           2
 energy:           7  (-0.357825055404513,0.389996421060960)
 CALCTMAT: IE=           8  ATOM:           2
 energy:           8  (-0.284046942353410,0.389996421060960)
 CALCTMAT: IE=           9  ATOM:           2
 energy:           9  (-0.204358909898172,0.389996421060960)
 CALCTMAT: IE=          10  ATOM:           2
 energy:          10  (-0.124670877442934,0.389996421060960)
 CALCTMAT: IE=          11  ATOM:           2
 energy:          11  (-5.089276439183116E-002,0.389996421060960)
 CALCTMAT: IE=          12  ATOM:           2
 energy:          12  (1.150402496977554E-002,0.389996421060960)
 CALCTMAT: IE=          13  ATOM:           2
 energy:          13  (5.789324408582880E-002,0.389996421060960)
 CALCTMAT: IE=          14  ATOM:           2
 energy:          14  (8.484567696497625E-002,0.389996421060960)
 CALCTMAT: IE=          15  ATOM:           2
 energy:          15  (0.122436321678514,0.389996421060960)
 CALCTMAT: IE=          16  ATOM:           2
 energy:          16  (0.229296402440545,0.389996421060960)
 CALCTMAT: IE=          17  ATOM:           2
 energy:          17  (0.333833934774899,0.389996421060960)
 CALCTMAT: IE=          18  ATOM:           2
 energy:          18  (0.357295858203656,0.362139533842320)
 CALCTMAT: IE=          19  ATOM:           2
 energy:          19  (0.357295858203656,0.306425759405040)
 CALCTMAT: IE=          20  ATOM:           2
 energy:          20  (0.357295858203656,0.250711984967760)
 CALCTMAT: IE=          21  ATOM:           2
 energy:          21  (0.357295858203656,0.194998210530480)
 CALCTMAT: IE=          22  ATOM:           2
 energy:          22  (0.357295858203656,0.139284436093200)
 CALCTMAT: IE=          23  ATOM:           2
 energy:          23  (0.357295858203656,8.357066165592009E-002)
 CALCTMAT: IE=          24  ATOM:           2
 energy:          24  (0.357295858203656,2.785688721864003E-002)
           0 start tbref e-loop
TBREF: GREF for energy:    1   -0.50000000    0.04395325
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:    2   -0.50000000    0.19499821
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:    3   -0.50000000    0.34604317
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:    4   -0.49356350    0.38999642
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:    5   -0.46661106    0.38999642
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:    6   -0.42022184    0.38999642
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:    7   -0.35782506    0.38999642
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:    8   -0.28404694    0.38999642
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:    9   -0.20435891    0.38999642
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:   10   -0.12467088    0.38999642
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:   11   -0.05089276    0.38999642
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:   12    0.01150402    0.38999642
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:   13    0.05789324    0.38999642
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:   14    0.08484568    0.38999642
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:   15    0.12243632    0.38999642
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:   16    0.22929640    0.38999642
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:   17    0.33383393    0.38999642
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:   18    0.35729586    0.36213953
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:   19    0.35729586    0.30642576
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:   20    0.35729586    0.25071198
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:   21    0.35729586    0.19499821
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:   22    0.35729586    0.13928444
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:   23    0.35729586    0.08357066
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
TBREF: GREF for energy:   24    0.35729586    0.02785689
 tbref NCLS loop:          17          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 11, #of points= 1
Task 6 treats points 12 to 12, #of points= 1
Task 7 treats points 13 to 13, #of points= 1
Task 8 treats points 14 to 14, #of points= 1
Task 9 treats points 15 to 15, #of points= 1
Task 10 treats points 16 to 16, #of points= 1
Task 11 treats points 17 to 17, #of points= 1
 ==========================================
===============================================================================
                              < KKR1a finished >
===============================================================================


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

 ************ IE =   1 ENERGY =  -0.500000   0.043953 KMESH =   4
 kkrmat k loop:           3          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 3, #of points= 0
Task 4 treats points 4 to 3, #of points= 0
Task 5 treats points 4 to 3, #of points= 0
Task 6 treats points 4 to 3, #of points= 0
Task 7 treats points 4 to 3, #of points= 0
Task 8 treats points 4 to 3, #of points= 0
Task 9 treats points 4 to 3, #of points= 0
Task 10 treats points 4 to 3, #of points= 0
Task 11 treats points 4 to 3, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =   2 ENERGY =  -0.500000   0.194998 KMESH =   3
 kkrmat k loop:           6          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 4, #of points= 1
Task 4 treats points 5 to 5, #of points= 1
Task 5 treats points 6 to 6, #of points= 1
Task 6 treats points 7 to 6, #of points= 0
Task 7 treats points 7 to 6, #of points= 0
Task 8 treats points 7 to 6, #of points= 0
Task 9 treats points 7 to 6, #of points= 0
Task 10 treats points 7 to 6, #of points= 0
Task 11 treats points 7 to 6, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =   3 ENERGY =  -0.500000   0.346043 KMESH =   4
 kkrmat k loop:           3          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 3, #of points= 0
Task 4 treats points 4 to 3, #of points= 0
Task 5 treats points 4 to 3, #of points= 0
Task 6 treats points 4 to 3, #of points= 0
Task 7 treats points 4 to 3, #of points= 0
Task 8 treats points 4 to 3, #of points= 0
Task 9 treats points 4 to 3, #of points= 0
Task 10 treats points 4 to 3, #of points= 0
Task 11 treats points 4 to 3, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =   4 ENERGY =  -0.493563   0.389996 KMESH =   4
 kkrmat k loop:           3          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 3, #of points= 0
Task 4 treats points 4 to 3, #of points= 0
Task 5 treats points 4 to 3, #of points= 0
Task 6 treats points 4 to 3, #of points= 0
Task 7 treats points 4 to 3, #of points= 0
Task 8 treats points 4 to 3, #of points= 0
Task 9 treats points 4 to 3, #of points= 0
Task 10 treats points 4 to 3, #of points= 0
Task 11 treats points 4 to 3, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =   5 ENERGY =  -0.466611   0.389996 KMESH =   4
 kkrmat k loop:           3          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 3, #of points= 0
Task 4 treats points 4 to 3, #of points= 0
Task 5 treats points 4 to 3, #of points= 0
Task 6 treats points 4 to 3, #of points= 0
Task 7 treats points 4 to 3, #of points= 0
Task 8 treats points 4 to 3, #of points= 0
Task 9 treats points 4 to 3, #of points= 0
Task 10 treats points 4 to 3, #of points= 0
Task 11 treats points 4 to 3, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =   6 ENERGY =  -0.420222   0.389996 KMESH =   4
 kkrmat k loop:           3          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 3, #of points= 0
Task 4 treats points 4 to 3, #of points= 0
Task 5 treats points 4 to 3, #of points= 0
Task 6 treats points 4 to 3, #of points= 0
Task 7 treats points 4 to 3, #of points= 0
Task 8 treats points 4 to 3, #of points= 0
Task 9 treats points 4 to 3, #of points= 0
Task 10 treats points 4 to 3, #of points= 0
Task 11 treats points 4 to 3, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =   7 ENERGY =  -0.357825   0.389996 KMESH =   4
 kkrmat k loop:           3          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 3, #of points= 0
Task 4 treats points 4 to 3, #of points= 0
Task 5 treats points 4 to 3, #of points= 0
Task 6 treats points 4 to 3, #of points= 0
Task 7 treats points 4 to 3, #of points= 0
Task 8 treats points 4 to 3, #of points= 0
Task 9 treats points 4 to 3, #of points= 0
Task 10 treats points 4 to 3, #of points= 0
Task 11 treats points 4 to 3, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =   8 ENERGY =  -0.284047   0.389996 KMESH =   4
 kkrmat k loop:           3          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 3, #of points= 0
Task 4 treats points 4 to 3, #of points= 0
Task 5 treats points 4 to 3, #of points= 0
Task 6 treats points 4 to 3, #of points= 0
Task 7 treats points 4 to 3, #of points= 0
Task 8 treats points 4 to 3, #of points= 0
Task 9 treats points 4 to 3, #of points= 0
Task 10 treats points 4 to 3, #of points= 0
Task 11 treats points 4 to 3, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =   9 ENERGY =  -0.204359   0.389996 KMESH =   4
 kkrmat k loop:           3          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 3, #of points= 0
Task 4 treats points 4 to 3, #of points= 0
Task 5 treats points 4 to 3, #of points= 0
Task 6 treats points 4 to 3, #of points= 0
Task 7 treats points 4 to 3, #of points= 0
Task 8 treats points 4 to 3, #of points= 0
Task 9 treats points 4 to 3, #of points= 0
Task 10 treats points 4 to 3, #of points= 0
Task 11 treats points 4 to 3, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =  10 ENERGY =  -0.124671   0.389996 KMESH =   4
 kkrmat k loop:           3          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 3, #of points= 0
Task 4 treats points 4 to 3, #of points= 0
Task 5 treats points 4 to 3, #of points= 0
Task 6 treats points 4 to 3, #of points= 0
Task 7 treats points 4 to 3, #of points= 0
Task 8 treats points 4 to 3, #of points= 0
Task 9 treats points 4 to 3, #of points= 0
Task 10 treats points 4 to 3, #of points= 0
Task 11 treats points 4 to 3, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =  11 ENERGY =  -0.050893   0.389996 KMESH =   4
 kkrmat k loop:           3          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 3, #of points= 0
Task 4 treats points 4 to 3, #of points= 0
Task 5 treats points 4 to 3, #of points= 0
Task 6 treats points 4 to 3, #of points= 0
Task 7 treats points 4 to 3, #of points= 0
Task 8 treats points 4 to 3, #of points= 0
Task 9 treats points 4 to 3, #of points= 0
Task 10 treats points 4 to 3, #of points= 0
Task 11 treats points 4 to 3, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =  12 ENERGY =   0.011504   0.389996 KMESH =   4
 kkrmat k loop:           3          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 3, #of points= 0
Task 4 treats points 4 to 3, #of points= 0
Task 5 treats points 4 to 3, #of points= 0
Task 6 treats points 4 to 3, #of points= 0
Task 7 treats points 4 to 3, #of points= 0
Task 8 treats points 4 to 3, #of points= 0
Task 9 treats points 4 to 3, #of points= 0
Task 10 treats points 4 to 3, #of points= 0
Task 11 treats points 4 to 3, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =  13 ENERGY =   0.057893   0.389996 KMESH =   4
 kkrmat k loop:           3          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 3, #of points= 0
Task 4 treats points 4 to 3, #of points= 0
Task 5 treats points 4 to 3, #of points= 0
Task 6 treats points 4 to 3, #of points= 0
Task 7 treats points 4 to 3, #of points= 0
Task 8 treats points 4 to 3, #of points= 0
Task 9 treats points 4 to 3, #of points= 0
Task 10 treats points 4 to 3, #of points= 0
Task 11 treats points 4 to 3, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =  14 ENERGY =   0.084846   0.389996 KMESH =   4
 kkrmat k loop:           3          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 3, #of points= 0
Task 4 treats points 4 to 3, #of points= 0
Task 5 treats points 4 to 3, #of points= 0
Task 6 treats points 4 to 3, #of points= 0
Task 7 treats points 4 to 3, #of points= 0
Task 8 treats points 4 to 3, #of points= 0
Task 9 treats points 4 to 3, #of points= 0
Task 10 treats points 4 to 3, #of points= 0
Task 11 treats points 4 to 3, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =  15 ENERGY =   0.122436   0.389996 KMESH =   4
 kkrmat k loop:           3          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 3, #of points= 0
Task 4 treats points 4 to 3, #of points= 0
Task 5 treats points 4 to 3, #of points= 0
Task 6 treats points 4 to 3, #of points= 0
Task 7 treats points 4 to 3, #of points= 0
Task 8 treats points 4 to 3, #of points= 0
Task 9 treats points 4 to 3, #of points= 0
Task 10 treats points 4 to 3, #of points= 0
Task 11 treats points 4 to 3, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =  16 ENERGY =   0.229296   0.389996 KMESH =   4
 kkrmat k loop:           3          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 3, #of points= 0
Task 4 treats points 4 to 3, #of points= 0
Task 5 treats points 4 to 3, #of points= 0
Task 6 treats points 4 to 3, #of points= 0
Task 7 treats points 4 to 3, #of points= 0
Task 8 treats points 4 to 3, #of points= 0
Task 9 treats points 4 to 3, #of points= 0
Task 10 treats points 4 to 3, #of points= 0
Task 11 treats points 4 to 3, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =  17 ENERGY =   0.333834   0.389996 KMESH =   4
 kkrmat k loop:           3          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 3, #of points= 0
Task 4 treats points 4 to 3, #of points= 0
Task 5 treats points 4 to 3, #of points= 0
Task 6 treats points 4 to 3, #of points= 0
Task 7 treats points 4 to 3, #of points= 0
Task 8 treats points 4 to 3, #of points= 0
Task 9 treats points 4 to 3, #of points= 0
Task 10 treats points 4 to 3, #of points= 0
Task 11 treats points 4 to 3, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =  18 ENERGY =   0.357296   0.362140 KMESH =   4
 kkrmat k loop:           3          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 3, #of points= 0
Task 4 treats points 4 to 3, #of points= 0
Task 5 treats points 4 to 3, #of points= 0
Task 6 treats points 4 to 3, #of points= 0
Task 7 treats points 4 to 3, #of points= 0
Task 8 treats points 4 to 3, #of points= 0
Task 9 treats points 4 to 3, #of points= 0
Task 10 treats points 4 to 3, #of points= 0
Task 11 treats points 4 to 3, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =  19 ENERGY =   0.357296   0.306426 KMESH =   4
 kkrmat k loop:           3          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 3, #of points= 0
Task 4 treats points 4 to 3, #of points= 0
Task 5 treats points 4 to 3, #of points= 0
Task 6 treats points 4 to 3, #of points= 0
Task 7 treats points 4 to 3, #of points= 0
Task 8 treats points 4 to 3, #of points= 0
Task 9 treats points 4 to 3, #of points= 0
Task 10 treats points 4 to 3, #of points= 0
Task 11 treats points 4 to 3, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =  20 ENERGY =   0.357296   0.250712 KMESH =   4
 kkrmat k loop:           3          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 3, #of points= 0
Task 4 treats points 4 to 3, #of points= 0
Task 5 treats points 4 to 3, #of points= 0
Task 6 treats points 4 to 3, #of points= 0
Task 7 treats points 4 to 3, #of points= 0
Task 8 treats points 4 to 3, #of points= 0
Task 9 treats points 4 to 3, #of points= 0
Task 10 treats points 4 to 3, #of points= 0
Task 11 treats points 4 to 3, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =  21 ENERGY =   0.357296   0.194998 KMESH =   3
 kkrmat k loop:           6          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 4, #of points= 1
Task 4 treats points 5 to 5, #of points= 1
Task 5 treats points 6 to 6, #of points= 1
Task 6 treats points 7 to 6, #of points= 0
Task 7 treats points 7 to 6, #of points= 0
Task 8 treats points 7 to 6, #of points= 0
Task 9 treats points 7 to 6, #of points= 0
Task 10 treats points 7 to 6, #of points= 0
Task 11 treats points 7 to 6, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =  22 ENERGY =   0.357296   0.139284 KMESH =   3
 kkrmat k loop:           6          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 4, #of points= 1
Task 4 treats points 5 to 5, #of points= 1
Task 5 treats points 6 to 6, #of points= 1
Task 6 treats points 7 to 6, #of points= 0
Task 7 treats points 7 to 6, #of points= 0
Task 8 treats points 7 to 6, #of points= 0
Task 9 treats points 7 to 6, #of points= 0
Task 10 treats points 7 to 6, #of points= 0
Task 11 treats points 7 to 6, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =  23 ENERGY =   0.357296   0.083571 KMESH =   2
 kkrmat k loop:          10          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 1, #of points= 1
Task 1 treats points 2 to 2, #of points= 1
Task 2 treats points 3 to 3, #of points= 1
Task 3 treats points 4 to 4, #of points= 1
Task 4 treats points 5 to 5, #of points= 1
Task 5 treats points 6 to 6, #of points= 1
Task 6 treats points 7 to 7, #of points= 1
Task 7 treats points 8 to 8, #of points= 1
Task 8 treats points 9 to 9, #of points= 1
Task 9 treats points 10 to 10, #of points= 1
Task 10 treats points 11 to 10, #of points= 0
Task 11 treats points 11 to 10, #of points= 0
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 || 
 ************ IE =  24 ENERGY =   0.357296   0.027857 KMESH =   1
 kkrmat k loop:          21          12
 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 12, #of points= 2
Task 6 treats points 13 to 14, #of points= 2
Task 7 treats points 15 to 16, #of points= 2
Task 8 treats points 17 to 18, #of points= 2
Task 9 treats points 19 to 19, #of points= 1
Task 10 treats points 20 to 20, #of points= 1
Task 11 treats points 21 to 21, #of points= 1
 ==========================================
Loop over points:|  0%     | 20%     | 40%     | 60%     | 80%     | 100%
                 ||| 
===============================================================================
                              < KKR1b finished >
===============================================================================

 ==== DISTRIBUTION OF POINTS ON TASKS: ====
Task 0 treats points 1 to 2, #of points= 2
Task 1 treats points 3 to 4, #of points= 2
Task 2 treats points 5 to 6, #of points= 2
Task 3 treats points 7 to 8, #of points= 2
Task 4 treats points 9 to 10, #of points= 2
Task 5 treats points 11 to 12, #of points= 2
Task 6 treats points 13 to 14, #of points= 2
Task 7 treats points 15 to 16, #of points= 2
Task 8 treats points 17 to 17, #of points= 1
Task 9 treats points 18 to 18, #of points= 1
Task 10 treats points 19 to 19, #of points= 1
Task 11 treats points 20 to 20, #of points= 1
 ==========================================
 atom           1
 energy           1 (-0.500000000000000,4.395324614552068E-002)
 energy           2 (-0.500000000000000,0.194998210530480)
 energy           3 (-0.500000000000000,0.346043174915440)
 energy           4 (-0.493563496761321,0.389996421060960)
 energy           5 (-0.466611063882173,0.389996421060960)
 energy           6 (-0.420221844766120,0.389996421060960)
 energy           7 (-0.357825055404513,0.389996421060960)
 energy           8 (-0.284046942353410,0.389996421060960)
 energy           9 (-0.204358909898172,0.389996421060960)
 energy          10 (-0.124670877442934,0.389996421060960)
 energy          11 (-5.089276439183116E-002,0.389996421060960)
 energy          12 (1.150402496977554E-002,0.389996421060960)
 energy          13 (5.789324408582880E-002,0.389996421060960)
 energy          14 (8.484567696497625E-002,0.389996421060960)
 energy          15 (0.122436321678514,0.389996421060960)
 energy          16 (0.229296402440545,0.389996421060960)
 energy          17 (0.333833934774899,0.389996421060960)
 energy          18 (0.357295858203656,0.362139533842320)
 energy          19 (0.357295858203656,0.306425759405040)
 energy          20 (0.357295858203656,0.250711984967760)
 energy          21 (0.357295858203656,0.194998210530480)
 energy          22 (0.357295858203656,0.139284436093200)
 energy          23 (0.357295858203656,8.357066165592009E-002)
 energy          24 (0.357295858203656,2.785688721864003E-002)
 atom           2
 energy           1 (-0.500000000000000,4.395324614552068E-002)
 energy           2 (-0.500000000000000,0.194998210530480)
 energy           3 (-0.500000000000000,0.346043174915440)
 energy           4 (-0.493563496761321,0.389996421060960)
 energy           5 (-0.466611063882173,0.389996421060960)
 energy           6 (-0.420221844766120,0.389996421060960)
 energy           7 (-0.357825055404513,0.389996421060960)
 energy           8 (-0.284046942353410,0.389996421060960)
 energy           9 (-0.204358909898172,0.389996421060960)
 energy          10 (-0.124670877442934,0.389996421060960)
 energy          11 (-5.089276439183116E-002,0.389996421060960)
 energy          12 (1.150402496977554E-002,0.389996421060960)
 energy          13 (5.789324408582880E-002,0.389996421060960)
 energy          14 (8.484567696497625E-002,0.389996421060960)
 energy          15 (0.122436321678514,0.389996421060960)
 energy          16 (0.229296402440545,0.389996421060960)
 energy          17 (0.333833934774899,0.389996421060960)
 energy          18 (0.357295858203656,0.362139533842320)
 energy          19 (0.357295858203656,0.306425759405040)
 energy          20 (0.357295858203656,0.250711984967760)
 energy          21 (0.357295858203656,0.194998210530480)
 energy          22 (0.357295858203656,0.139284436093200)
 energy          23 (0.357295858203656,8.357066165592009E-002)
 energy          24 (0.357295858203656,2.785688721864003E-002)
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne         
   ========================== 
      1   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
   ========================== 
      2   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
   ========================== 
      3   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
   ========================== 
      4   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
   ========================== 
      5   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
   ========================== 
      6   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
   ========================== 
      7   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
   ========================== 
      8   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
   ========================== 
      9   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
   ========================== 
     10   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
   ========================== 
     11   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
   ========================== 
     12   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
   ========================== 
     13   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
   ========================== 
     14   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
   ========================== 
     15   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
   ========================== 
     16   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
   ========================== 
     17   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
   ========================== 
     18   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
   ========================== 
     19   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
   ========================== 
     20   s =         NaN
          p =         NaN
          d =         NaN
          ns   0.00000000
          ------------------- 
          TOT         NaN
 
############################################
 
 Sum of valence charges of atoms (local summation) NaN                    
 
##############################################################################
                                 CORE  STATES
##############################################################################
    nuclear charge    0.000000         core charge =     0.000000
    nuclear charge    0.000000         core charge =     0.000000
    nuclear charge    0.000000         core charge =     0.000000
 30  0 349 345  4.99999960D+01  4.99999980D+01  5.00000000D+01
 31  0 349 345  4.99999980D+01  4.99999990D+01  5.00000000D+01
 32  0 349 345  4.99999990D+01  4.99999995D+01  5.00000000D+01
 33  0 349 345  4.99999995D+01  4.99999998D+01  5.00000000D+01
 34  0 349 345  4.99999998D+01  4.99999999D+01  5.00000000D+01
 35  0 349 345  4.99999999D+01  4.99999999D+01  5.00000000D+01
 36  0 349 345  4.99999999D+01  5.00000000D+01  5.00000000D+01
 37  0 349 345  5.00000000D+01  5.00000000D+01  5.00000000D+01
 38  0 349 345  5.00000000D+01  5.00000000D+01  5.00000000D+01
 39  0 349 345  5.00000000D+01  5.00000000D+01  5.00000000D+01
 40  0 349 345  5.00000000D+01  5.00000000D+01  5.00000000D+01
