 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!! Most output written to output.myrank.txt files !!!
 !!! please check these files as well               !!!
 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
     Screened Korringa-Kohn-Rostoker Electronic Structure Code
                      for Bulk and Interfaces
                    Juelich-Munich 2001 - 2018

  Code version: v3.1-131-g02ea1f7e
  Compile options: intel  
  serial number for files: JuKKR_v3.1-131-g02ea1f7e_intel_20200219095211
 Calling MADELUNG3D
 Exited MADELUNG3D
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++            SCF ITERATIONS START                +++
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
started on 2020/ 2/19 at  9:52:11
               Ne        
          TOT 10.92939775
      ITERATION   1 charge neutrality in unit cell =    -0.070602
                new E FERMI   0.4200119991  DOS(E_F) =     6.554847
      ITERATION   1 average rms-error : v+ + v- =  1.9137D-01
TOTAL ENERGY in ryd. :            -3304.83888553

Iteration finished on 2020/ 2/19 at  9:52:12
               Ne        
          TOT 10.92025700
      ITERATION   2 charge neutrality in unit cell =    -0.079743
                new E FERMI   0.4317872846  DOS(E_F) =     6.772065
      ITERATION   2 average rms-error : v+ + v- =  1.8002D-01
TOTAL ENERGY in ryd. :            -3304.85213827

Iteration finished on 2020/ 2/19 at  9:52:13
               Ne        
          TOT 10.92162964
      ITERATION   3 charge neutrality in unit cell =    -0.078370
                new E FERMI   0.4431421332  DOS(E_F) =     6.901929
      ITERATION   3 average rms-error : v+ + v- =  1.6972D-01
TOTAL ENERGY in ryd. :            -3304.86254590

Iteration finished on 2020/ 2/19 at  9:52:14
               Ne        
          TOT 10.92601684
      ITERATION   4 charge neutrality in unit cell =    -0.073983
                new E FERMI   0.4537193374  DOS(E_F) =     6.994586
      ITERATION   4 average rms-error : v+ + v- =  1.6044D-01
TOTAL ENERGY in ryd. :            -3304.87052276

Iteration finished on 2020/ 2/19 at  9:52:15
               Ne        
          TOT 10.93097145
      ITERATION   5 charge neutrality in unit cell =    -0.069029
                new E FERMI   0.4634943962  DOS(E_F) =     7.061701
      ITERATION   5 average rms-error : v+ + v- =  1.5208D-01
TOTAL ENERGY in ryd. :            -3304.87658192

Iteration finished on 2020/ 2/19 at  9:52:15
               Ne        
          TOT 10.93583301
      ITERATION   6 charge neutrality in unit cell =    -0.064167
                new E FERMI   0.4725214017  DOS(E_F) =     7.108336
      ITERATION   6 average rms-error : v+ + v- =  1.4452D-01
TOTAL ENERGY in ryd. :            -3304.88117254

Iteration finished on 2020/ 2/19 at  9:52:16
               Ne        
          TOT 10.94041483
      ITERATION   7 charge neutrality in unit cell =    -0.059585
                new E FERMI   0.4808692393  DOS(E_F) =     7.137797
      ITERATION   7 average rms-error : v+ + v- =  1.3767D-01
TOTAL ENERGY in ryd. :            -3304.88465190

Iteration finished on 2020/ 2/19 at  9:52:17
               Ne        
          TOT 10.94465182
      ITERATION   8 charge neutrality in unit cell =    -0.055348
                new E FERMI   0.4886072633  DOS(E_F) =     7.152753
      ITERATION   8 average rms-error : v+ + v- =  1.3143D-01
TOTAL ENERGY in ryd. :            -3304.88729468

Iteration finished on 2020/ 2/19 at  9:52:18
               Ne        
          TOT 10.94852341
      ITERATION   9 charge neutrality in unit cell =    -0.051477
                new E FERMI   0.4958011349  DOS(E_F) =     7.155617
      ITERATION   9 average rms-error : v+ + v- =  1.2572D-01
TOTAL ENERGY in ryd. :            -3304.88930928

Iteration finished on 2020/ 2/19 at  9:52:18
               Ne        
          TOT 10.95203594
      ITERATION  10 charge neutrality in unit cell =    -0.047964
                new E FERMI   0.5025106971  DOS(E_F) =     7.148613
      ITERATION  10 average rms-error : v+ + v- =  1.2046D-01
TOTAL ENERGY in ryd. :            -3304.89085287

Iteration finished on 2020/ 2/19 at  9:52:19
               Ne        
          TOT 10.95521223
      ITERATION  11 charge neutrality in unit cell =    -0.044788
                new E FERMI   0.5087889922  DOS(E_F) =     7.133747
      ITERATION  11 average rms-error : v+ + v- =  1.1560D-01
TOTAL ENERGY in ryd. :            -3304.89204338

Iteration finished on 2020/ 2/19 at  9:52:20
               Ne        
          TOT 10.95808269
      ITERATION  12 charge neutrality in unit cell =    -0.041917
                new E FERMI   0.5146822346  DOS(E_F) =     7.112776
      ITERATION  12 average rms-error : v+ + v- =  1.1109D-01
TOTAL ENERGY in ryd. :            -3304.89296900

Iteration finished on 2020/ 2/19 at  9:52:21
               Ne        
          TOT 10.96067927
      ITERATION  13 charge neutrality in unit cell =    -0.039321
                new E FERMI   0.5202303675  DOS(E_F) =     7.087200
      ITERATION  13 average rms-error : v+ + v- =  1.0688D-01
TOTAL ENERGY in ryd. :            -3304.89369545

Iteration finished on 2020/ 2/19 at  9:52:21
               Ne        
          TOT 10.96303240
      ITERATION  14 charge neutrality in unit cell =    -0.036968
                new E FERMI   0.5254678513  DOS(E_F) =     7.058275
      ITERATION  14 average rms-error : v+ + v- =  1.0293D-01
TOTAL ENERGY in ryd. :            -3304.89427164

Iteration finished on 2020/ 2/19 at  9:52:22
               Ne        
          TOT 10.96516973
      ITERATION  15 charge neutrality in unit cell =    -0.034830
                new E FERMI   0.5304244656  DOS(E_F) =     7.027029
      ITERATION  15 average rms-error : v+ + v- =  9.9224D-02
TOTAL ENERGY in ryd. :            -3304.89473390

Iteration finished on 2020/ 2/19 at  9:52:23
               Ne        
          TOT 10.96711588
      ITERATION  16 charge neutrality in unit cell =    -0.032884
                new E FERMI   0.5351260321  DOS(E_F) =     6.994290
      ITERATION  16 average rms-error : v+ + v- =  9.5724D-02
TOTAL ENERGY in ryd. :            -3304.89510929

Iteration finished on 2020/ 2/19 at  9:52:24
               Ne        
          TOT 10.96889256
      ITERATION  17 charge neutrality in unit cell =    -0.031107
                new E FERMI   0.5395950301  DOS(E_F) =     6.960718
      ITERATION  17 average rms-error : v+ + v- =  9.2411D-02
TOTAL ENERGY in ryd. :            -3304.89541794

Iteration finished on 2020/ 2/19 at  9:52:24
               Ne        
          TOT 10.97051888
      ITERATION  18 charge neutrality in unit cell =    -0.029481
                new E FERMI   0.5438511103  DOS(E_F) =     6.926825
      ITERATION  18 average rms-error : v+ + v- =  8.9265D-02
TOTAL ENERGY in ryd. :            -3304.89567488

Iteration finished on 2020/ 2/19 at  9:52:25
               Ne        
          TOT 10.97201158
      ITERATION  19 charge neutrality in unit cell =    -0.027988
                new E FERMI   0.5479115190  DOS(E_F) =     6.893007
      ITERATION  19 average rms-error : v+ + v- =  8.6272D-02
TOTAL ENERGY in ryd. :            -3304.89589137

Iteration finished on 2020/ 2/19 at  9:52:26
               Ne        
          TOT 10.97338538
      ITERATION  20 charge neutrality in unit cell =    -0.026615
                new E FERMI   0.5517914512  DOS(E_F) =     6.859559
      ITERATION  20 average rms-error : v+ + v- =  8.3417D-02
TOTAL ENERGY in ryd. :            -3304.89607587

Iteration finished on 2020/ 2/19 at  9:52:26
               Ne        
          TOT 10.97465320
      ITERATION  21 charge neutrality in unit cell =    -0.025347
                new E FERMI   0.5555043432  DOS(E_F) =     6.826701
      ITERATION  21 average rms-error : v+ + v- =  8.0688D-02
TOTAL ENERGY in ryd. :            -3304.89623479

Iteration finished on 2020/ 2/19 at  9:52:27
               Ne        
          TOT 10.97582638
      ITERATION  22 charge neutrality in unit cell =    -0.024174
                new E FERMI   0.5590621182  DOS(E_F) =     6.794589
      ITERATION  22 average rms-error : v+ + v- =  7.8076D-02
TOTAL ENERGY in ryd. :            -3304.89637299

Iteration finished on 2020/ 2/19 at  9:52:28
               Ne        
          TOT 10.97691489
      ITERATION  23 charge neutrality in unit cell =    -0.023085
                new E FERMI   0.5624753932  DOS(E_F) =     6.763330
      ITERATION  23 average rms-error : v+ + v- =  7.5571D-02
TOTAL ENERGY in ryd. :            -3304.89649422

Iteration finished on 2020/ 2/19 at  9:52:29
               Ne        
          TOT 10.97792749
      ITERATION  24 charge neutrality in unit cell =    -0.022073
                new E FERMI   0.5657536531  DOS(E_F) =     6.732995
      ITERATION  24 average rms-error : v+ + v- =  7.3166D-02
TOTAL ENERGY in ryd. :            -3304.89660134

Iteration finished on 2020/ 2/19 at  9:52:29
               Ne        
          TOT 10.97887188
      ITERATION  25 charge neutrality in unit cell =    -0.021128
                new E FERMI   0.5689053995  DOS(E_F) =     6.703624
      ITERATION  25 average rms-error : v+ + v- =  7.0854D-02
TOTAL ENERGY in ryd. :            -3304.89669661

Iteration finished on 2020/ 2/19 at  9:52:30
               Ne        
          TOT 10.97975483
      ITERATION  26 charge neutrality in unit cell =    -0.020245
                new E FERMI   0.5719382773  DOS(E_F) =     6.675235
      ITERATION  26 average rms-error : v+ + v- =  6.8628D-02
TOTAL ENERGY in ryd. :            -3304.89678179

Iteration finished on 2020/ 2/19 at  9:52:31
               Ne        
          TOT 10.98058232
      ITERATION  27 charge neutrality in unit cell =    -0.019418
                new E FERMI   0.5748591828  DOS(E_F) =     6.647829
      ITERATION  27 average rms-error : v+ + v- =  6.6485D-02
TOTAL ENERGY in ryd. :            -3304.89685831

Iteration finished on 2020/ 2/19 at  9:52:31
               Ne        
          TOT 10.98135961
      ITERATION  28 charge neutrality in unit cell =    -0.018640
                new E FERMI   0.5776743574  DOS(E_F) =     6.621396
      ITERATION  28 average rms-error : v+ + v- =  6.4418D-02
TOTAL ENERGY in ryd. :            -3304.89692729

Iteration finished on 2020/ 2/19 at  9:52:32
               Ne        
          TOT 10.98209136
      ITERATION  29 charge neutrality in unit cell =    -0.017909
                new E FERMI   0.5803894675  DOS(E_F) =     6.595915
      ITERATION  29 average rms-error : v+ + v- =  6.2424D-02
TOTAL ENERGY in ryd. :            -3304.89698967

Iteration finished on 2020/ 2/19 at  9:52:33
               Ne        
          TOT 10.98278167
      ITERATION  30 charge neutrality in unit cell =    -0.017218
                new E FERMI   0.5830096737  DOS(E_F) =     6.571363
      ITERATION  30 average rms-error : v+ + v- =  6.0499D-02
TOTAL ENERGY in ryd. :            -3304.89704621

Iteration finished on 2020/ 2/19 at  9:52:34
               Ne        
          TOT 10.98343418
      ITERATION  31 charge neutrality in unit cell =    -0.016566
                new E FERMI   0.5855396914  DOS(E_F) =     6.547708
      ITERATION  31 average rms-error : v+ + v- =  5.8639D-02
TOTAL ENERGY in ryd. :            -3304.89709756

Iteration finished on 2020/ 2/19 at  9:52:34
               Ne        
          TOT 10.98405211
      ITERATION  32 charge neutrality in unit cell =    -0.015948
                new E FERMI   0.5879838428  DOS(E_F) =     6.524919
      ITERATION  32 average rms-error : v+ + v- =  5.6842D-02
TOTAL ENERGY in ryd. :            -3304.89714427

Iteration finished on 2020/ 2/19 at  9:52:35
               Ne        
          TOT 10.98463832
      ITERATION  33 charge neutrality in unit cell =    -0.015362
                new E FERMI   0.5903461019  DOS(E_F) =     6.502962
      ITERATION  33 average rms-error : v+ + v- =  5.5105D-02
TOTAL ENERGY in ryd. :            -3304.89718680

Iteration finished on 2020/ 2/19 at  9:52:36
               Ne        
          TOT 10.98519535
      ITERATION  34 charge neutrality in unit cell =    -0.014805
                new E FERMI   0.5926301345  DOS(E_F) =     6.481804
      ITERATION  34 average rms-error : v+ + v- =  5.3424D-02
TOTAL ENERGY in ryd. :            -3304.89722556

Iteration finished on 2020/ 2/19 at  9:52:37
               Ne        
          TOT 10.98572546
      ITERATION  35 charge neutrality in unit cell =    -0.014275
                new E FERMI   0.5948393324  DOS(E_F) =     6.461411
      ITERATION  35 average rms-error : v+ + v- =  5.1798D-02
TOTAL ENERGY in ryd. :            -3304.89726089

Iteration finished on 2020/ 2/19 at  9:52:37
               Ne        
          TOT 10.98623069
      ITERATION  36 charge neutrality in unit cell =    -0.013769
                new E FERMI   0.5969768435  DOS(E_F) =     6.441750
      ITERATION  36 average rms-error : v+ + v- =  5.0224D-02
TOTAL ENERGY in ryd. :            -3304.89729312

Iteration finished on 2020/ 2/19 at  9:52:38
               Ne        
          TOT 10.98671282
      ITERATION  37 charge neutrality in unit cell =    -0.013287
                new E FERMI   0.5990455983  DOS(E_F) =     6.422790
      ITERATION  37 average rms-error : v+ + v- =  4.8700D-02
TOTAL ENERGY in ryd. :            -3304.89732252

Iteration finished on 2020/ 2/19 at  9:52:39
               Ne        
          TOT 10.98717349
      ITERATION  38 charge neutrality in unit cell =    -0.012827
                new E FERMI   0.6010483328  DOS(E_F) =     6.404498
      ITERATION  38 average rms-error : v+ + v- =  4.7225D-02
TOTAL ENERGY in ryd. :            -3304.89734964

Iteration finished on 2020/ 2/19 at  9:52:39
               Ne        
          TOT 10.98761414
      ITERATION  39 charge neutrality in unit cell =    -0.012386
                new E FERMI   0.6029876085  DOS(E_F) =     6.386846
      ITERATION  39 average rms-error : v+ + v- =  4.5796D-02
TOTAL ENERGY in ryd. :            -3304.89737409

Iteration finished on 2020/ 2/19 at  9:52:40
               Ne        
          TOT 10.98803609
      ITERATION  40 charge neutrality in unit cell =    -0.011964
                new E FERMI   0.6048658302  DOS(E_F) =     6.369806
      ITERATION  40 average rms-error : v+ + v- =  4.4411D-02
TOTAL ENERGY in ryd. :            -3304.89739639

Iteration finished on 2020/ 2/19 at  9:52:41
               Ne        
          TOT 10.98844052
      ITERATION  41 charge neutrality in unit cell =    -0.011559
                new E FERMI   0.6066852614  DOS(E_F) =     6.353350
      ITERATION  41 average rms-error : v+ + v- =  4.3070D-02
TOTAL ENERGY in ryd. :            -3304.89741670

Iteration finished on 2020/ 2/19 at  9:52:42
               Ne        
          TOT 10.98882848
      ITERATION  42 charge neutrality in unit cell =    -0.011172
                new E FERMI   0.6084480379  DOS(E_F) =     6.337455
      ITERATION  42 average rms-error : v+ + v- =  4.1770D-02
TOTAL ENERGY in ryd. :            -3304.89743521

Iteration finished on 2020/ 2/19 at  9:52:43
               Ne        
          TOT 10.98920097
      ITERATION  43 charge neutrality in unit cell =    -0.010799
                new E FERMI   0.6101561799  DOS(E_F) =     6.322094
      ITERATION  43 average rms-error : v+ + v- =  4.0510D-02
TOTAL ENERGY in ryd. :            -3304.89745206

Iteration finished on 2020/ 2/19 at  9:52:43
               Ne        
          TOT 10.98955884
      ITERATION  44 charge neutrality in unit cell =    -0.010441
                new E FERMI   0.6118116020  DOS(E_F) =     6.307247
      ITERATION  44 average rms-error : v+ + v- =  3.9289D-02
TOTAL ENERGY in ryd. :            -3304.89746738

Iteration finished on 2020/ 2/19 at  9:52:45
               Ne        
          TOT 10.98990293
      ITERATION  45 charge neutrality in unit cell =    -0.010097
                new E FERMI   0.6134161229  DOS(E_F) =     6.292891
      ITERATION  45 average rms-error : v+ + v- =  3.8106D-02
TOTAL ENERGY in ryd. :            -3304.89748130

Iteration finished on 2020/ 2/19 at  9:52:45
               Ne        
          TOT 10.99023395
      ITERATION  46 charge neutrality in unit cell =    -0.009766
                new E FERMI   0.6149714735  DOS(E_F) =     6.279005
      ITERATION  46 average rms-error : v+ + v- =  3.6958D-02
TOTAL ENERGY in ryd. :            -3304.89749394

Iteration finished on 2020/ 2/19 at  9:52:46
               Ne        
          TOT 10.99055258
      ITERATION  47 charge neutrality in unit cell =    -0.009447
                new E FERMI   0.6164793038  DOS(E_F) =     6.265572
      ITERATION  47 average rms-error : v+ + v- =  3.5846D-02
TOTAL ENERGY in ryd. :            -3304.89750541

Iteration finished on 2020/ 2/19 at  9:52:47
               Ne        
          TOT 10.99085945
      ITERATION  48 charge neutrality in unit cell =    -0.009141
                new E FERMI   0.6179411894  DOS(E_F) =     6.252573
      ITERATION  48 average rms-error : v+ + v- =  3.4767D-02
TOTAL ENERGY in ryd. :            -3304.89751579

Iteration finished on 2020/ 2/19 at  9:52:48
               Ne        
          TOT 10.99115514
      ITERATION  49 charge neutrality in unit cell =    -0.008845
                new E FERMI   0.6193586372  DOS(E_F) =     6.239990
      ITERATION  49 average rms-error : v+ + v- =  3.3722D-02
TOTAL ENERGY in ryd. :            -3304.89752519

Iteration finished on 2020/ 2/19 at  9:52:48
               Ne        
          TOT 10.99144017
      ITERATION  50 charge neutrality in unit cell =    -0.008560
                new E FERMI   0.6207330903  DOS(E_F) =     6.227808
      ITERATION  50 average rms-error : v+ + v- =  3.2708D-02
TOTAL ENERGY in ryd. :            -3304.89753368

Iteration finished on 2020/ 2/19 at  9:52:49
               Ne        
          TOT 10.99171504
      ITERATION  51 charge neutrality in unit cell =    -0.008285
                new E FERMI   0.6220659325  DOS(E_F) =     6.216011
      ITERATION  51 average rms-error : v+ + v- =  3.1724D-02
TOTAL ENERGY in ryd. :            -3304.89754134

Iteration finished on 2020/ 2/19 at  9:52:50
               Ne        
          TOT 10.99198020
      ITERATION  52 charge neutrality in unit cell =    -0.008020
                new E FERMI   0.6233584924  DOS(E_F) =     6.204585
      ITERATION  52 average rms-error : v+ + v- =  3.0771D-02
TOTAL ENERGY in ryd. :            -3304.89754824

Iteration finished on 2020/ 2/19 at  9:52:51
               Ne        
          TOT 10.99223609
      ITERATION  53 charge neutrality in unit cell =    -0.007764
                new E FERMI   0.6246120465  DOS(E_F) =     6.193516
      ITERATION  53 average rms-error : v+ + v- =  2.9846D-02
TOTAL ENERGY in ryd. :            -3304.89755445

Iteration finished on 2020/ 2/19 at  9:52:51
               Ne        
          TOT 10.99248311
      ITERATION  54 charge neutrality in unit cell =    -0.007517
                new E FERMI   0.6258278231  DOS(E_F) =     6.182791
      ITERATION  54 average rms-error : v+ + v- =  2.8949D-02
TOTAL ENERGY in ryd. :            -3304.89756001

Iteration finished on 2020/ 2/19 at  9:52:52
               Ne        
          TOT 10.99272162
      ITERATION  55 charge neutrality in unit cell =    -0.007278
                new E FERMI   0.6270070046  DOS(E_F) =     6.172397
      ITERATION  55 average rms-error : v+ + v- =  2.8079D-02
TOTAL ENERGY in ryd. :            -3304.89756499

Iteration finished on 2020/ 2/19 at  9:52:53
               Ne        
          TOT 10.99295199
      ITERATION  56 charge neutrality in unit cell =    -0.007048
                new E FERMI   0.6281507302  DOS(E_F) =     6.162323
      ITERATION  56 average rms-error : v+ + v- =  2.7236D-02
TOTAL ENERGY in ryd. :            -3304.89756943

Iteration finished on 2020/ 2/19 at  9:52:54
               Ne        
          TOT 10.99317455
      ITERATION  57 charge neutrality in unit cell =    -0.006825
                new E FERMI   0.6292600986  DOS(E_F) =     6.152558
      ITERATION  57 average rms-error : v+ + v- =  2.6418D-02
TOTAL ENERGY in ryd. :            -3304.89757339

Iteration finished on 2020/ 2/19 at  9:52:55
               Ne        
          TOT 10.99338960
      ITERATION  58 charge neutrality in unit cell =    -0.006610
                new E FERMI   0.6303361696  DOS(E_F) =     6.143090
      ITERATION  58 average rms-error : v+ + v- =  2.5624D-02
TOTAL ENERGY in ryd. :            -3304.89757690

Iteration finished on 2020/ 2/19 at  9:52:55
               Ne        
          TOT 10.99359744
      ITERATION  59 charge neutrality in unit cell =    -0.006403
                new E FERMI   0.6313799665  DOS(E_F) =     6.133910
      ITERATION  59 average rms-error : v+ + v- =  2.4855D-02
TOTAL ENERGY in ryd. :            -3304.89758001

Iteration finished on 2020/ 2/19 at  9:52:56
               Ne        
          TOT 10.99379836
      ITERATION  60 charge neutrality in unit cell =    -0.006202
                new E FERMI   0.6323924777  DOS(E_F) =     6.125008
      ITERATION  60 average rms-error : v+ + v- =  2.4108D-02
TOTAL ENERGY in ryd. :            -3304.89758274

Iteration finished on 2020/ 2/19 at  9:52:57
               Ne        
          TOT 10.99399262
      ITERATION  61 charge neutrality in unit cell =    -0.006007
                new E FERMI   0.6333746583  DOS(E_F) =     6.116374
      ITERATION  61 average rms-error : v+ + v- =  2.3384D-02
TOTAL ENERGY in ryd. :            -3304.89758514

Iteration finished on 2020/ 2/19 at  9:52:58
               Ne        
          TOT 10.99418046
      ITERATION  62 charge neutrality in unit cell =    -0.005820
                new E FERMI   0.6343274316  DOS(E_F) =     6.108001
      ITERATION  62 average rms-error : v+ + v- =  2.2682D-02
TOTAL ENERGY in ryd. :            -3304.89758723

Iteration finished on 2020/ 2/19 at  9:52:58
               Ne        
          TOT 10.99436213
      ITERATION  63 charge neutrality in unit cell =    -0.005638
                new E FERMI   0.6352516908  DOS(E_F) =     6.099878
      ITERATION  63 average rms-error : v+ + v- =  2.2001D-02
TOTAL ENERGY in ryd. :            -3304.89758904

Iteration finished on 2020/ 2/19 at  9:52:59
               Ne        
          TOT 10.99453786
      ITERATION  64 charge neutrality in unit cell =    -0.005462
                new E FERMI   0.6361482996  DOS(E_F) =     6.091999
      ITERATION  64 average rms-error : v+ + v- =  2.1340D-02
TOTAL ENERGY in ryd. :            -3304.89759060

Iteration finished on 2020/ 2/19 at  9:53: 0
               Ne        
          TOT 10.99470786
      ITERATION  65 charge neutrality in unit cell =    -0.005292
                new E FERMI   0.6370180943  DOS(E_F) =     6.084355
      ITERATION  65 average rms-error : v+ + v- =  2.0699D-02
TOTAL ENERGY in ryd. :            -3304.89759193

Iteration finished on 2020/ 2/19 at  9:53: 1
               Ne        
          TOT 10.99487234
      ITERATION  66 charge neutrality in unit cell =    -0.005128
                new E FERMI   0.6378618843  DOS(E_F) =     6.076938
      ITERATION  66 average rms-error : v+ + v- =  2.0077D-02
TOTAL ENERGY in ryd. :            -3304.89759305

Iteration finished on 2020/ 2/19 at  9:53: 1
               Ne        
          TOT 10.99503150
      ITERATION  67 charge neutrality in unit cell =    -0.004969
                new E FERMI   0.6386804531  DOS(E_F) =     6.069742
      ITERATION  67 average rms-error : v+ + v- =  1.9474D-02
TOTAL ENERGY in ryd. :            -3304.89759398

Iteration finished on 2020/ 2/19 at  9:53: 2
               Ne        
          TOT 10.99518552
      ITERATION  68 charge neutrality in unit cell =    -0.004814
                new E FERMI   0.6394745598  DOS(E_F) =     6.062760
      ITERATION  68 average rms-error : v+ + v- =  1.8889D-02
TOTAL ENERGY in ryd. :            -3304.89759474

Iteration finished on 2020/ 2/19 at  9:53: 3
               Ne        
          TOT 10.99533459
      ITERATION  69 charge neutrality in unit cell =    -0.004665
                new E FERMI   0.6402449396  DOS(E_F) =     6.055985
      ITERATION  69 average rms-error : v+ + v- =  1.8322D-02
TOTAL ENERGY in ryd. :            -3304.89759535

Iteration finished on 2020/ 2/19 at  9:53: 3
               Ne        
          TOT 10.99547888
      ITERATION  70 charge neutrality in unit cell =    -0.004521
                new E FERMI   0.6409923048  DOS(E_F) =     6.049411
      ITERATION  70 average rms-error : v+ + v- =  1.7772D-02
TOTAL ENERGY in ryd. :            -3304.89759582

Iteration finished on 2020/ 2/19 at  9:53: 4
               Ne        
          TOT 10.99561856
      ITERATION  71 charge neutrality in unit cell =    -0.004381
                new E FERMI   0.6417173455  DOS(E_F) =     6.043030
      ITERATION  71 average rms-error : v+ + v- =  1.7238D-02
TOTAL ENERGY in ryd. :            -3304.89759617

Iteration finished on 2020/ 2/19 at  9:53: 5
               Ne        
          TOT 10.99575378
      ITERATION  72 charge neutrality in unit cell =    -0.004246
                new E FERMI   0.6424207308  DOS(E_F) =     6.036839
      ITERATION  72 average rms-error : v+ + v- =  1.6720D-02
TOTAL ENERGY in ryd. :            -3304.89759641

Iteration finished on 2020/ 2/19 at  9:53: 5
               Ne        
          TOT 10.99588469
      ITERATION  73 charge neutrality in unit cell =    -0.004115
                new E FERMI   0.6431031089  DOS(E_F) =     6.030830
      ITERATION  73 average rms-error : v+ + v- =  1.6218D-02
TOTAL ENERGY in ryd. :            -3304.89759655

Iteration finished on 2020/ 2/19 at  9:53: 6
               Ne        
          TOT 10.99601145
      ITERATION  74 charge neutrality in unit cell =    -0.003989
                new E FERMI   0.6437651085  DOS(E_F) =     6.024998
      ITERATION  74 average rms-error : v+ + v- =  1.5731D-02
TOTAL ENERGY in ryd. :            -3304.89759661

Iteration finished on 2020/ 2/19 at  9:53: 7
               Ne        
          TOT 10.99613420
      ITERATION  75 charge neutrality in unit cell =    -0.003866
                new E FERMI   0.6444073387  DOS(E_F) =     6.019338
      ITERATION  75 average rms-error : v+ + v- =  1.5258D-02
TOTAL ENERGY in ryd. :            -3304.89759658

Iteration finished on 2020/ 2/19 at  9:53: 8
               Ne        
          TOT 10.99625306
      ITERATION  76 charge neutrality in unit cell =    -0.003747
                new E FERMI   0.6450303904  DOS(E_F) =     6.013844
      ITERATION  76 average rms-error : v+ + v- =  1.4800D-02
TOTAL ENERGY in ryd. :            -3304.89759649

Iteration finished on 2020/ 2/19 at  9:53: 8
               Ne        
          TOT 10.99636818
      ITERATION  77 charge neutrality in unit cell =    -0.003632
                new E FERMI   0.6456348365  DOS(E_F) =     6.008512
      ITERATION  77 average rms-error : v+ + v- =  1.4355D-02
TOTAL ENERGY in ryd. :            -3304.89759633

Iteration finished on 2020/ 2/19 at  9:53: 9
               Ne        
          TOT 10.99647967
      ITERATION  78 charge neutrality in unit cell =    -0.003520
                new E FERMI   0.6462212324  DOS(E_F) =     6.003338
      ITERATION  78 average rms-error : v+ + v- =  1.3924D-02
TOTAL ENERGY in ryd. :            -3304.89759612

Iteration finished on 2020/ 2/19 at  9:53:10
               Ne        
          TOT 10.99658765
      ITERATION  79 charge neutrality in unit cell =    -0.003412
                new E FERMI   0.6467901169  DOS(E_F) =     5.998315
      ITERATION  79 average rms-error : v+ + v- =  1.3506D-02
TOTAL ENERGY in ryd. :            -3304.89759587

Iteration finished on 2020/ 2/19 at  9:53:11
               Ne        
          TOT 10.99669225
      ITERATION  80 charge neutrality in unit cell =    -0.003308
                new E FERMI   0.6473420124  DOS(E_F) =     5.993440
      ITERATION  80 average rms-error : v+ + v- =  1.3100D-02
TOTAL ENERGY in ryd. :            -3304.89759558

            ++++++ NUMBER OF SCF STEPS EXHAUSTED ++++++
*******************************************************************************
Iteration finished on 2020/ 2/19 at  9:53:11
 -------------------MEMORY CONSUMPTION REPORT-----------------------
 7344 allocations and 7229 deallocations, remaining memory(B):-14707406
 Memory occupation peak: 31901 kB
 For the array: "RHO2NSNM" in routine "main2"
 -----------------END MEMORY CONSUMPTION REPORT---------------------
