 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!! 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 - 2021

  Code version: v3.1-1953-ga8f14635
  Compile options: gnu  
  serial number for files: JuKKR_v3.1-1953-ga8f14635_gnu_20231110120525
 Calling MADELUNG3D
 Exited MADELUNG3D
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++            SCF ITERATIONS START                +++
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
started on 2023/11/10 at 12: 5:25
               Ne        
          TOT 10.84049328
      ITERATION   1 charge neutrality in unit cell =    -0.159507
                new E FERMI   0.4366623188  DOS(E_F) =     5.816887
      ITERATION   1 average rms-error : v+ + v- =  2.0695D-01
TOTAL ENERGY in ryd. :            -3304.82373701

Iteration finished on 2023/11/10 at 12: 5:27
               Ne        
          TOT 10.90853622
      ITERATION   2 charge neutrality in unit cell =    -0.091464
                new E FERMI   0.4509776596  DOS(E_F) =     6.389215
      ITERATION   2 average rms-error : v+ + v- =  1.9270D-01
TOTAL ENERGY in ryd. :            -3304.84316470

Iteration finished on 2023/11/10 at 12: 5:29
               Ne        
          TOT 10.91834386
      ITERATION   3 charge neutrality in unit cell =    -0.081656
                new E FERMI   0.4635222304  DOS(E_F) =     6.509281
      ITERATION   3 average rms-error : v+ + v- =  1.8114D-01
TOTAL ENERGY in ryd. :            -3304.85586081

Iteration finished on 2023/11/10 at 12: 5:30
               Ne        
          TOT 10.92440793
      ITERATION   4 charge neutrality in unit cell =    -0.075592
                new E FERMI   0.4749562862  DOS(E_F) =     6.611133
      ITERATION   4 average rms-error : v+ + v- =  1.7080D-01
TOTAL ENERGY in ryd. :            -3304.86549458

Iteration finished on 2023/11/10 at 12: 5:32
               Ne        
          TOT 10.92968439
      ITERATION   5 charge neutrality in unit cell =    -0.070316
                new E FERMI   0.4854644935  DOS(E_F) =     6.691494
      ITERATION   5 average rms-error : v+ + v- =  1.6150D-01
TOTAL ENERGY in ryd. :            -3304.87283931

Iteration finished on 2023/11/10 at 12: 5:34
               Ne        
          TOT 10.93459027
      ITERATION   6 charge neutrality in unit cell =    -0.065410
                new E FERMI   0.4951538883  DOS(E_F) =     6.750651
      ITERATION   6 average rms-error : v+ + v- =  1.5311D-01
TOTAL ENERGY in ryd. :            -3304.87843890

Iteration finished on 2023/11/10 at 12: 5:36
               Ne        
          TOT 10.93917344
      ITERATION   7 charge neutrality in unit cell =    -0.060827
                new E FERMI   0.5041115426  DOS(E_F) =     6.790457
      ITERATION   7 average rms-error : v+ + v- =  1.4551D-01
TOTAL ENERGY in ryd. :            -3304.88271006

Iteration finished on 2023/11/10 at 12: 5:38
               Ne        
          TOT 10.94341762
      ITERATION   8 charge neutrality in unit cell =    -0.056582
                new E FERMI   0.5124163225  DOS(E_F) =     6.813230
      ITERATION   8 average rms-error : v+ + v- =  1.3860D-01
TOTAL ENERGY in ryd. :            -3304.88597321

Iteration finished on 2023/11/10 at 12: 5:39
               Ne        
          TOT 10.94731132
      ITERATION   9 charge neutrality in unit cell =    -0.052689
                new E FERMI   0.5201402473  DOS(E_F) =     6.821491
      ITERATION   9 average rms-error : v+ + v- =  1.3230D-01
TOTAL ENERGY in ryd. :            -3304.88847318

Iteration finished on 2023/11/10 at 12: 5:41
               Ne        
          TOT 10.95086215
      ITERATION  10 charge neutrality in unit cell =    -0.049138
                new E FERMI   0.5273475756  DOS(E_F) =     6.817762
      ITERATION  10 average rms-error : v+ + v- =  1.2651D-01
TOTAL ENERGY in ryd. :            -3304.89039630

Iteration finished on 2023/11/10 at 12: 5:43
               Ne        
          TOT 10.95409163
      ITERATION  11 charge neutrality in unit cell =    -0.045908
                new E FERMI   0.5340944381  DOS(E_F) =     6.804402
      ITERATION  11 average rms-error : v+ + v- =  1.2118D-01
TOTAL ENERGY in ryd. :            -3304.89188369

Iteration finished on 2023/11/10 at 12: 5:45
               Ne        
          TOT 10.95702710
      ITERATION  12 charge neutrality in unit cell =    -0.042973
                new E FERMI   0.5404293386  DOS(E_F) =     6.783517
      ITERATION  12 average rms-error : v+ + v- =  1.1625D-01
TOTAL ENERGY in ryd. :            -3304.89304183

Iteration finished on 2023/11/10 at 12: 5:47
               Ne        
          TOT 10.95969668
      ITERATION  13 charge neutrality in unit cell =    -0.040303
                new E FERMI   0.5463940909  DOS(E_F) =     6.756915
      ITERATION  13 average rms-error : v+ + v- =  1.1167D-01
TOTAL ENERGY in ryd. :            -3304.89395079

Iteration finished on 2023/11/10 at 12: 5:49
               Ne        
          TOT 10.96212707
      ITERATION  14 charge neutrality in unit cell =    -0.037873
                new E FERMI   0.5520248207  DOS(E_F) =     6.726114
      ITERATION  14 average rms-error : v+ + v- =  1.0739D-01
TOTAL ENERGY in ryd. :            -3304.89467064

Iteration finished on 2023/11/10 at 12: 5:50
               Ne        
          TOT 10.96434280
      ITERATION  15 charge neutrality in unit cell =    -0.035657
                new E FERMI   0.5573528632  DOS(E_F) =     6.692364
      ITERATION  15 average rms-error : v+ + v- =  1.0338D-01
TOTAL ENERGY in ryd. :            -3304.89524643

Iteration finished on 2023/11/10 at 12: 5:52
               Ne        
          TOT 10.96636616
      ITERATION  16 charge neutrality in unit cell =    -0.033634
                new E FERMI   0.5624055135  DOS(E_F) =     6.656673
      ITERATION  16 average rms-error : v+ + v- =  9.9605D-02
TOTAL ENERGY in ryd. :            -3304.89571193

Iteration finished on 2023/11/10 at 12: 5:54
               Ne        
          TOT 10.96821727
      ITERATION  17 charge neutrality in unit cell =    -0.031783
                new E FERMI   0.5672066387  DOS(E_F) =     6.619850
      ITERATION  17 average rms-error : v+ + v- =  9.6047D-02
TOTAL ENERGY in ryd. :            -3304.89609249

Iteration finished on 2023/11/10 at 12: 5:56
               Ne        
          TOT 10.96991429
      ITERATION  18 charge neutrality in unit cell =    -0.030086
                new E FERMI   0.5717771784  DOS(E_F) =     6.582528
      ITERATION  18 average rms-error : v+ + v- =  9.2679D-02
TOTAL ENERGY in ryd. :            -3304.89640717

Iteration finished on 2023/11/10 at 12: 5:58
               Ne        
          TOT 10.97147351
      ITERATION  19 charge neutrality in unit cell =    -0.028526
                new E FERMI   0.5761355584  DOS(E_F) =     6.545205
      ITERATION  19 average rms-error : v+ + v- =  8.9485D-02
TOTAL ENERGY in ryd. :            -3304.89667033

Iteration finished on 2023/11/10 at 12: 6: 0
               Ne        
          TOT 10.97290952
      ITERATION  20 charge neutrality in unit cell =    -0.027090
                new E FERMI   0.5802980360  DOS(E_F) =     6.508259
      ITERATION  20 average rms-error : v+ + v- =  8.6446D-02
TOTAL ENERGY in ryd. :            -3304.89689284

Iteration finished on 2023/11/10 at 12: 6: 1
               Ne        
          TOT 10.97423532
      ITERATION  21 charge neutrality in unit cell =    -0.025765
                new E FERMI   0.5842789938  DOS(E_F) =     6.471980
      ITERATION  21 average rms-error : v+ + v- =  8.3549D-02
TOTAL ENERGY in ryd. :            -3304.89708294

Iteration finished on 2023/11/10 at 12: 6: 3
               Ne        
          TOT 10.97546248
      ITERATION  22 charge neutrality in unit cell =    -0.024538
                new E FERMI   0.5880911913  DOS(E_F) =     6.436581
      ITERATION  22 average rms-error : v+ + v- =  8.0783D-02
TOTAL ENERGY in ryd. :            -3304.89724692

Iteration finished on 2023/11/10 at 12: 6: 5
               Ne        
          TOT 10.97660125
      ITERATION  23 charge neutrality in unit cell =    -0.023399
                new E FERMI   0.5917459818  DOS(E_F) =     6.402214
      ITERATION  23 average rms-error : v+ + v- =  7.8136D-02
TOTAL ENERGY in ryd. :            -3304.89738961

Iteration finished on 2023/11/10 at 12: 6: 7
               Ne        
          TOT 10.97766066
      ITERATION  24 charge neutrality in unit cell =    -0.022339
                new E FERMI   0.5952535008  DOS(E_F) =     6.368985
      ITERATION  24 average rms-error : v+ + v- =  7.5600D-02
TOTAL ENERGY in ryd. :            -3304.89751475

Iteration finished on 2023/11/10 at 12: 6: 9
               Ne        
          TOT 10.97864869
      ITERATION  25 charge neutrality in unit cell =    -0.021351
                new E FERMI   0.5986228296  DOS(E_F) =     6.336961
      ITERATION  25 average rms-error : v+ + v- =  7.3167D-02
TOTAL ENERGY in ryd. :            -3304.89762523

Iteration finished on 2023/11/10 at 12: 6:10
               Ne        
          TOT 10.97957235
      ITERATION  26 charge neutrality in unit cell =    -0.020428
                new E FERMI   0.6018621368  DOS(E_F) =     6.306179
      ITERATION  26 average rms-error : v+ + v- =  7.0829D-02
TOTAL ENERGY in ryd. :            -3304.89772334

Iteration finished on 2023/11/10 at 12: 6:12
               Ne        
          TOT 10.98043779
      ITERATION  27 charge neutrality in unit cell =    -0.019562
                new E FERMI   0.6049788010  DOS(E_F) =     6.276651
      ITERATION  27 average rms-error : v+ + v- =  6.8582D-02
TOTAL ENERGY in ryd. :            -3304.89781090

Iteration finished on 2023/11/10 at 12: 6:14
               Ne        
          TOT 10.98125042
      ITERATION  28 charge neutrality in unit cell =    -0.018750
                new E FERMI   0.6079795162  DOS(E_F) =     6.248371
      ITERATION  28 average rms-error : v+ + v- =  6.6418D-02
TOTAL ENERGY in ryd. :            -3304.89788935

Iteration finished on 2023/11/10 at 12: 6:16
               Ne        
          TOT 10.98201500
      ITERATION  29 charge neutrality in unit cell =    -0.017985
                new E FERMI   0.6108703818  DOS(E_F) =     6.221319
      ITERATION  29 average rms-error : v+ + v- =  6.4333D-02
TOTAL ENERGY in ryd. :            -3304.89795989

Iteration finished on 2023/11/10 at 12: 6:18
               Ne        
          TOT 10.98273573
      ITERATION  30 charge neutrality in unit cell =    -0.017264
                new E FERMI   0.6136569798  DOS(E_F) =     6.195465
      ITERATION  30 average rms-error : v+ + v- =  6.2323D-02
TOTAL ENERGY in ryd. :            -3304.89802347

Iteration finished on 2023/11/10 at 12: 6:20
               Ne        
          TOT 10.98341630
      ITERATION  31 charge neutrality in unit cell =    -0.016584
                new E FERMI   0.6163444399  DOS(E_F) =     6.170769
      ITERATION  31 average rms-error : v+ + v- =  6.0384D-02
TOTAL ENERGY in ryd. :            -3304.89808090

Iteration finished on 2023/11/10 at 12: 6:21
               Ne        
          TOT 10.98406001
      ITERATION  32 charge neutrality in unit cell =    -0.015940
                new E FERMI   0.6189374943  DOS(E_F) =     6.147187
      ITERATION  32 average rms-error : v+ + v- =  5.8512D-02
TOTAL ENERGY in ryd. :            -3304.89813288

Iteration finished on 2023/11/10 at 12: 6:23
               Ne        
          TOT 10.98466976
      ITERATION  33 charge neutrality in unit cell =    -0.015330
                new E FERMI   0.6214405248  DOS(E_F) =     6.124672
      ITERATION  33 average rms-error : v+ + v- =  5.6703D-02
TOTAL ENERGY in ryd. :            -3304.89817996

Iteration finished on 2023/11/10 at 12: 6:25
               Ne        
          TOT 10.98524817
      ITERATION  34 charge neutrality in unit cell =    -0.014752
                new E FERMI   0.6238576012  DOS(E_F) =     6.103172
      ITERATION  34 average rms-error : v+ + v- =  5.4956D-02
TOTAL ENERGY in ryd. :            -3304.89822265

Iteration finished on 2023/11/10 at 12: 6:27
               Ne        
          TOT 10.98579756
      ITERATION  35 charge neutrality in unit cell =    -0.014202
                new E FERMI   0.6261925153  DOS(E_F) =     6.082638
      ITERATION  35 average rms-error : v+ + v- =  5.3267D-02
TOTAL ENERGY in ryd. :            -3304.89826138

Iteration finished on 2023/11/10 at 12: 6:29
               Ne        
          TOT 10.98632005
      ITERATION  36 charge neutrality in unit cell =    -0.013680
                new E FERMI   0.6284488086  DOS(E_F) =     6.063019
      ITERATION  36 average rms-error : v+ + v- =  5.1633D-02
TOTAL ENERGY in ryd. :            -3304.89829653

Iteration finished on 2023/11/10 at 12: 6:30
               Ne        
          TOT 10.98681753
      ITERATION  37 charge neutrality in unit cell =    -0.013182
                new E FERMI   0.6306297963  DOS(E_F) =     6.044266
      ITERATION  37 average rms-error : v+ + v- =  5.0053D-02
TOTAL ENERGY in ryd. :            -3304.89832843

Iteration finished on 2023/11/10 at 12: 6:32
               Ne        
          TOT 10.98729172
      ITERATION  38 charge neutrality in unit cell =    -0.012708
                new E FERMI   0.6327385890  DOS(E_F) =     6.026330
      ITERATION  38 average rms-error : v+ + v- =  4.8524D-02
TOTAL ENERGY in ryd. :            -3304.89835738

Iteration finished on 2023/11/10 at 12: 6:34
               Ne        
          TOT 10.98774418
      ITERATION  39 charge neutrality in unit cell =    -0.012256
                new E FERMI   0.6347781098  DOS(E_F) =     6.009166
      ITERATION  39 average rms-error : v+ + v- =  4.7044D-02
TOTAL ENERGY in ryd. :            -3304.89838364

Iteration finished on 2023/11/10 at 12: 6:36
               Ne        
          TOT 10.98817633
      ITERATION  40 charge neutrality in unit cell =    -0.011824
                new E FERMI   0.6367511112  DOS(E_F) =     5.992731
      ITERATION  40 average rms-error : v+ + v- =  4.5611D-02
TOTAL ENERGY in ryd. :            -3304.89840745

Iteration finished on 2023/11/10 at 12: 6:38
               Ne        
          TOT 10.98858948
      ITERATION  41 charge neutrality in unit cell =    -0.011411
                new E FERMI   0.6386601886  DOS(E_F) =     5.976981
      ITERATION  41 average rms-error : v+ + v- =  4.4223D-02
TOTAL ENERGY in ryd. :            -3304.89842903

Iteration finished on 2023/11/10 at 12: 6:40
               Ne        
          TOT 10.98898480
      ITERATION  42 charge neutrality in unit cell =    -0.011015
                new E FERMI   0.6405077933  DOS(E_F) =     5.961880
      ITERATION  42 average rms-error : v+ + v- =  4.2880D-02
TOTAL ENERGY in ryd. :            -3304.89844856

Iteration finished on 2023/11/10 at 12: 6:41
               Ne        
          TOT 10.98936339
      ITERATION  43 charge neutrality in unit cell =    -0.010637
                new E FERMI   0.6422962441  DOS(E_F) =     5.947389
      ITERATION  43 average rms-error : v+ + v- =  4.1578D-02
TOTAL ENERGY in ryd. :            -3304.89846623

Iteration finished on 2023/11/10 at 12: 6:43
               Ne        
          TOT 10.98972623
      ITERATION  44 charge neutrality in unit cell =    -0.010274
                new E FERMI   0.6440277369  DOS(E_F) =     5.933475
      ITERATION  44 average rms-error : v+ + v- =  4.0317D-02
TOTAL ENERGY in ryd. :            -3304.89848220

Iteration finished on 2023/11/10 at 12: 6:45
               Ne        
          TOT 10.99007424
      ITERATION  45 charge neutrality in unit cell =    -0.009926
                new E FERMI   0.6457043549  DOS(E_F) =     5.920106
      ITERATION  45 average rms-error : v+ + v- =  3.9095D-02
TOTAL ENERGY in ryd. :            -3304.89849661

Iteration finished on 2023/11/10 at 12: 6:47
               Ne        
          TOT 10.99040827
      ITERATION  46 charge neutrality in unit cell =    -0.009592
                new E FERMI   0.6473280763  DOS(E_F) =     5.907252
      ITERATION  46 average rms-error : v+ + v- =  3.7911D-02
TOTAL ENERGY in ryd. :            -3304.89850959

Iteration finished on 2023/11/10 at 12: 6:49
               Ne        
          TOT 10.99072908
      ITERATION  47 charge neutrality in unit cell =    -0.009271
                new E FERMI   0.6489007825  DOS(E_F) =     5.894885
      ITERATION  47 average rms-error : v+ + v- =  3.6763D-02
TOTAL ENERGY in ryd. :            -3304.89852127

Iteration finished on 2023/11/10 at 12: 6:50
               Ne        
          TOT 10.99103738
      ITERATION  48 charge neutrality in unit cell =    -0.008963
                new E FERMI   0.6504242649  DOS(E_F) =     5.882980
      ITERATION  48 average rms-error : v+ + v- =  3.5651D-02
TOTAL ENERGY in ryd. :            -3304.89853175

Iteration finished on 2023/11/10 at 12: 6:52
               Ne        
          TOT 10.99133384
      ITERATION  49 charge neutrality in unit cell =    -0.008666
                new E FERMI   0.6519002314  DOS(E_F) =     5.871512
      ITERATION  49 average rms-error : v+ + v- =  3.4573D-02
TOTAL ENERGY in ryd. :            -3304.89854115

Iteration finished on 2023/11/10 at 12: 6:54
               Ne        
          TOT 10.99161907
      ITERATION  50 charge neutrality in unit cell =    -0.008381
                new E FERMI   0.6533303120  DOS(E_F) =     5.860461
      ITERATION  50 average rms-error : v+ + v- =  3.3528D-02
TOTAL ENERGY in ryd. :            -3304.89854955

Iteration finished on 2023/11/10 at 12: 6:56
               Ne        
          TOT 10.99189362
      ITERATION  51 charge neutrality in unit cell =    -0.008106
                new E FERMI   0.6547160646  DOS(E_F) =     5.849804
      ITERATION  51 average rms-error : v+ + v- =  3.2515D-02
TOTAL ENERGY in ryd. :            -3304.89855704

Iteration finished on 2023/11/10 at 12: 6:58
               Ne        
          TOT 10.99215802
      ITERATION  52 charge neutrality in unit cell =    -0.007842
                new E FERMI   0.6560589792  DOS(E_F) =     5.839523
      ITERATION  52 average rms-error : v+ + v- =  3.1533D-02
TOTAL ENERGY in ryd. :            -3304.89856369

Iteration finished on 2023/11/10 at 12: 7: 0
               Ne        
          TOT 10.99241275
      ITERATION  53 charge neutrality in unit cell =    -0.007587
                new E FERMI   0.6573604827  DOS(E_F) =     5.829601
      ITERATION  53 average rms-error : v+ + v- =  3.0581D-02
TOTAL ENERGY in ryd. :            -3304.89856959

Iteration finished on 2023/11/10 at 12: 7: 1
               Ne        
          TOT 10.99265828
      ITERATION  54 charge neutrality in unit cell =    -0.007342
                new E FERMI   0.6586219428  DOS(E_F) =     5.820020
      ITERATION  54 average rms-error : v+ + v- =  2.9657D-02
TOTAL ENERGY in ryd. :            -3304.89857479

Iteration finished on 2023/11/10 at 12: 7: 3
               Ne        
          TOT 10.99289501
      ITERATION  55 charge neutrality in unit cell =    -0.007105
                new E FERMI   0.6598446717  DOS(E_F) =     5.810765
      ITERATION  55 average rms-error : v+ + v- =  2.8762D-02
TOTAL ENERGY in ryd. :            -3304.89857935

Iteration finished on 2023/11/10 at 12: 7: 5
               Ne        
          TOT 10.99312335
      ITERATION  56 charge neutrality in unit cell =    -0.006877
                new E FERMI   0.6610299295  DOS(E_F) =     5.801821
      ITERATION  56 average rms-error : v+ + v- =  2.7894D-02
TOTAL ENERGY in ryd. :            -3304.89858335

Iteration finished on 2023/11/10 at 12: 7: 7
               Ne        
          TOT 10.99334366
      ITERATION  57 charge neutrality in unit cell =    -0.006656
                new E FERMI   0.6621789269  DOS(E_F) =     5.793176
      ITERATION  57 average rms-error : v+ + v- =  2.7053D-02
TOTAL ENERGY in ryd. :            -3304.89858681

Iteration finished on 2023/11/10 at 12: 7: 9
               Ne        
          TOT 10.99355628
      ITERATION  58 charge neutrality in unit cell =    -0.006444
                new E FERMI   0.6632928286  DOS(E_F) =     5.784815
      ITERATION  58 average rms-error : v+ + v- =  2.6237D-02
TOTAL ENERGY in ryd. :            -3304.89858980

Iteration finished on 2023/11/10 at 12: 7:10
               Ne        
          TOT 10.99376156
      ITERATION  59 charge neutrality in unit cell =    -0.006238
                new E FERMI   0.6643727552  DOS(E_F) =     5.776729
      ITERATION  59 average rms-error : v+ + v- =  2.5445D-02
TOTAL ENERGY in ryd. :            -3304.89859235

Iteration finished on 2023/11/10 at 12: 7:12
               Ne        
          TOT 10.99395978
      ITERATION  60 charge neutrality in unit cell =    -0.006040
                new E FERMI   0.6654197860  DOS(E_F) =     5.768905
      ITERATION  60 average rms-error : v+ + v- =  2.4678D-02
TOTAL ENERGY in ryd. :            -3304.89859451

Iteration finished on 2023/11/10 at 12: 7:14
               Ne        
          TOT 10.99415124
      ITERATION  61 charge neutrality in unit cell =    -0.005849
                new E FERMI   0.6664349611  DOS(E_F) =     5.761332
      ITERATION  61 average rms-error : v+ + v- =  2.3934D-02
TOTAL ENERGY in ryd. :            -3304.89859631

Iteration finished on 2023/11/10 at 12: 7:16
               Ne        
          TOT 10.99433621
      ITERATION  62 charge neutrality in unit cell =    -0.005664
                new E FERMI   0.6674192832  DOS(E_F) =     5.754002
      ITERATION  62 average rms-error : v+ + v- =  2.3212D-02
TOTAL ENERGY in ryd. :            -3304.89859778

Iteration finished on 2023/11/10 at 12: 7:18
               Ne        
          TOT 10.99451495
      ITERATION  63 charge neutrality in unit cell =    -0.005485
                new E FERMI   0.6683737195  DOS(E_F) =     5.746905
      ITERATION  63 average rms-error : v+ + v- =  2.2512D-02
TOTAL ENERGY in ryd. :            -3304.89859896

Iteration finished on 2023/11/10 at 12: 7:20
               Ne        
          TOT 10.99468769
      ITERATION  64 charge neutrality in unit cell =    -0.005312
                new E FERMI   0.6692992034  DOS(E_F) =     5.740031
      ITERATION  64 average rms-error : v+ + v- =  2.1833D-02
TOTAL ENERGY in ryd. :            -3304.89859988

Iteration finished on 2023/11/10 at 12: 7:21
               Ne        
          TOT 10.99485468
      ITERATION  65 charge neutrality in unit cell =    -0.005145
                new E FERMI   0.6701966362  DOS(E_F) =     5.733373
      ITERATION  65 average rms-error : v+ + v- =  2.1175D-02
TOTAL ENERGY in ryd. :            -3304.89860056

Iteration finished on 2023/11/10 at 12: 7:23
               Ne        
          TOT 10.99501613
      ITERATION  66 charge neutrality in unit cell =    -0.004984
                new E FERMI   0.6710668884  DOS(E_F) =     5.726923
      ITERATION  66 average rms-error : v+ + v- =  2.0537D-02
TOTAL ENERGY in ryd. :            -3304.89860102

Iteration finished on 2023/11/10 at 12: 7:25
               Ne        
          TOT 10.99517225
      ITERATION  67 charge neutrality in unit cell =    -0.004828
                new E FERMI   0.6719108011  DOS(E_F) =     5.720673
      ITERATION  67 average rms-error : v+ + v- =  1.9918D-02
TOTAL ENERGY in ryd. :            -3304.89860129

Iteration finished on 2023/11/10 at 12: 7:27
               Ne        
          TOT 10.99532324
      ITERATION  68 charge neutrality in unit cell =    -0.004677
                new E FERMI   0.6727291871  DOS(E_F) =     5.714616
      ITERATION  68 average rms-error : v+ + v- =  1.9317D-02
TOTAL ENERGY in ryd. :            -3304.89860138

Iteration finished on 2023/11/10 at 12: 7:29
               Ne        
          TOT 10.99546928
      ITERATION  69 charge neutrality in unit cell =    -0.004531
                new E FERMI   0.6735228326  DOS(E_F) =     5.708746
      ITERATION  69 average rms-error : v+ + v- =  1.8735D-02
TOTAL ENERGY in ryd. :            -3304.89860132

Iteration finished on 2023/11/10 at 12: 7:31
               Ne        
          TOT 10.99561056
      ITERATION  70 charge neutrality in unit cell =    -0.004389
                new E FERMI   0.6742924977  DOS(E_F) =     5.703056
      ITERATION  70 average rms-error : v+ + v- =  1.8170D-02
TOTAL ENERGY in ryd. :            -3304.89860112

Iteration finished on 2023/11/10 at 12: 7:33
               Ne        
          TOT 10.99574724
      ITERATION  71 charge neutrality in unit cell =    -0.004253
                new E FERMI   0.6750389177  DOS(E_F) =     5.697539
      ITERATION  71 average rms-error : v+ + v- =  1.7623D-02
TOTAL ENERGY in ryd. :            -3304.89860080

Iteration finished on 2023/11/10 at 12: 7:34
               Ne        
          TOT 10.99587950
      ITERATION  72 charge neutrality in unit cell =    -0.004120
                new E FERMI   0.6757628040  DOS(E_F) =     5.692191
      ITERATION  72 average rms-error : v+ + v- =  1.7092D-02
TOTAL ENERGY in ryd. :            -3304.89860038

Iteration finished on 2023/11/10 at 12: 7:36
               Ne        
          TOT 10.99600749
      ITERATION  73 charge neutrality in unit cell =    -0.003993
                new E FERMI   0.6764648454  DOS(E_F) =     5.687005
      ITERATION  73 average rms-error : v+ + v- =  1.6576D-02
TOTAL ENERGY in ryd. :            -3304.89859985

Iteration finished on 2023/11/10 at 12: 7:38
               Ne        
          TOT 10.99613135
      ITERATION  74 charge neutrality in unit cell =    -0.003869
                new E FERMI   0.6771457083  DOS(E_F) =     5.681976
      ITERATION  74 average rms-error : v+ + v- =  1.6077D-02
TOTAL ENERGY in ryd. :            -3304.89859924

Iteration finished on 2023/11/10 at 12: 7:40
               Ne        
          TOT 10.99625124
      ITERATION  75 charge neutrality in unit cell =    -0.003749
                new E FERMI   0.6778060379  DOS(E_F) =     5.677099
      ITERATION  75 average rms-error : v+ + v- =  1.5592D-02
TOTAL ENERGY in ryd. :            -3304.89859856

Iteration finished on 2023/11/10 at 12: 7:42
               Ne        
          TOT 10.99636729
      ITERATION  76 charge neutrality in unit cell =    -0.003633
                new E FERMI   0.6784464593  DOS(E_F) =     5.672369
      ITERATION  76 average rms-error : v+ + v- =  1.5122D-02
TOTAL ENERGY in ryd. :            -3304.89859782

Iteration finished on 2023/11/10 at 12: 7:44
               Ne        
          TOT 10.99647964
      ITERATION  77 charge neutrality in unit cell =    -0.003520
                new E FERMI   0.6790675775  DOS(E_F) =     5.667781
      ITERATION  77 average rms-error : v+ + v- =  1.4666D-02
TOTAL ENERGY in ryd. :            -3304.89859702

Iteration finished on 2023/11/10 at 12: 7:45
               Ne        
          TOT 10.99658840
      ITERATION  78 charge neutrality in unit cell =    -0.003412
                new E FERMI   0.6796699786  DOS(E_F) =     5.663331
      ITERATION  78 average rms-error : v+ + v- =  1.4224D-02
TOTAL ENERGY in ryd. :            -3304.89859618

Iteration finished on 2023/11/10 at 12: 7:47
               Ne        
          TOT 10.99669371
      ITERATION  79 charge neutrality in unit cell =    -0.003306
                new E FERMI   0.6802542305  DOS(E_F) =     5.659014
      ITERATION  79 average rms-error : v+ + v- =  1.3796D-02
TOTAL ENERGY in ryd. :            -3304.89859529

Iteration finished on 2023/11/10 at 12: 7:49
               Ne        
          TOT 10.99679568
      ITERATION  80 charge neutrality in unit cell =    -0.003204
                new E FERMI   0.6808208831  DOS(E_F) =     5.654826
      ITERATION  80 average rms-error : v+ + v- =  1.3380D-02
TOTAL ENERGY in ryd. :            -3304.89859438

            ++++++ NUMBER OF SCF STEPS EXHAUSTED ++++++
*******************************************************************************
Iteration finished on 2023/11/10 at 12: 7:51
 -------------------MEMORY CONSUMPTION REPORT-----------------------
 7346 allocations and 7230 deallocations, remaining memory(B):-14707398
 Memory occupation peak: 31901 kB
 For the array: "RHO2NSNM" in routine "main2"
 -----------------END MEMORY CONSUMPTION REPORT---------------------
