 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!! 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_20231110120540
 Calling MADELUNG3D
 Exited MADELUNG3D
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++            SCF ITERATIONS START                +++
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
started on 2023/11/10 at 12: 5:40
               Ne        
          TOT 10.95348214
      ITERATION   1 charge neutrality in unit cell =    -0.046518
                new E FERMI   0.4164998891  DOS(E_F) =     6.408399
      ITERATION   1 average rms-error : v+ + v- =  1.7379D-01
TOTAL ENERGY in ryd. :            -3304.84415617

Iteration finished on 2023/11/10 at 12: 5:42
               Ne        
          TOT 10.93598920
      ITERATION   2 charge neutrality in unit cell =    -0.064011
                new E FERMI   0.4259425353  DOS(E_F) =     6.778905
      ITERATION   2 average rms-error : v+ + v- =  1.6333D-01
TOTAL ENERGY in ryd. :            -3304.85583783

Iteration finished on 2023/11/10 at 12: 5:44
               Ne        
          TOT 10.93122607
      ITERATION   3 charge neutrality in unit cell =    -0.068774
                new E FERMI   0.4358207501  DOS(E_F) =     6.962182
      ITERATION   3 average rms-error : v+ + v- =  1.5380D-01
TOTAL ENERGY in ryd. :            -3304.86517845

Iteration finished on 2023/11/10 at 12: 5:46
               Ne        
          TOT 10.93322075
      ITERATION   4 charge neutrality in unit cell =    -0.066779
                new E FERMI   0.4452737614  DOS(E_F) =     7.064336
      ITERATION   4 average rms-error : v+ + v- =  1.4520D-01
TOTAL ENERGY in ryd. :            -3304.87243158

Iteration finished on 2023/11/10 at 12: 5:47
               Ne        
          TOT 10.93732153
      ITERATION   5 charge neutrality in unit cell =    -0.062678
                new E FERMI   0.4540670305  DOS(E_F) =     7.128005
      ITERATION   5 average rms-error : v+ + v- =  1.3746D-01
TOTAL ENERGY in ryd. :            -3304.87796057

Iteration finished on 2023/11/10 at 12: 5:49
               Ne        
          TOT 10.94182208
      ITERATION   6 charge neutrality in unit cell =    -0.058178
                new E FERMI   0.4621830171  DOS(E_F) =     7.168311
      ITERATION   6 average rms-error : v+ + v- =  1.3049D-01
TOTAL ENERGY in ryd. :            -3304.88214666

Iteration finished on 2023/11/10 at 12: 5:51
               Ne        
          TOT 10.94618693
      ITERATION   7 charge neutrality in unit cell =    -0.053813
                new E FERMI   0.4696655654  DOS(E_F) =     7.191811
      ITERATION   7 average rms-error : v+ + v- =  1.2419D-01
TOTAL ENERGY in ryd. :            -3304.88531219

Iteration finished on 2023/11/10 at 12: 5:53
               Ne        
          TOT 10.95024306
      ITERATION   8 charge neutrality in unit cell =    -0.049757
                new E FERMI   0.4765741411  DOS(E_F) =     7.202200
      ITERATION   8 average rms-error : v+ + v- =  1.1848D-01
TOTAL ENERGY in ryd. :            -3304.88770952

Iteration finished on 2023/11/10 at 12: 5:55
               Ne        
          TOT 10.95393867
      ITERATION   9 charge neutrality in unit cell =    -0.046061
                new E FERMI   0.4829696539  DOS(E_F) =     7.202132
      ITERATION   9 average rms-error : v+ + v- =  1.1326D-01
TOTAL ENERGY in ryd. :            -3304.88953102

Iteration finished on 2023/11/10 at 12: 5:57
               Ne        
          TOT 10.95727290
      ITERATION  10 charge neutrality in unit cell =    -0.042727
                new E FERMI   0.4889091063  DOS(E_F) =     7.193778
      ITERATION  10 average rms-error : v+ + v- =  1.0847D-01
TOTAL ENERGY in ryd. :            -3304.89092174

Iteration finished on 2023/11/10 at 12: 5:58
               Ne        
          TOT 10.96026855
      ITERATION  11 charge neutrality in unit cell =    -0.039731
                new E FERMI   0.4944435234  DOS(E_F) =     7.178977
      ITERATION  11 average rms-error : v+ + v- =  1.0406D-01
TOTAL ENERGY in ryd. :            -3304.89199033

Iteration finished on 2023/11/10 at 12: 6: 0
               Ne        
          TOT 10.96295786
      ITERATION  12 charge neutrality in unit cell =    -0.037042
                new E FERMI   0.4996175261  DOS(E_F) =     7.159281
      ITERATION  12 average rms-error : v+ + v- =  9.9970D-02
TOTAL ENERGY in ryd. :            -3304.89281781

Iteration finished on 2023/11/10 at 12: 6: 2
               Ne        
          TOT 10.96537478
      ITERATION  13 charge neutrality in unit cell =    -0.034625
                new E FERMI   0.5044697250  DOS(E_F) =     7.135985
      ITERATION  13 average rms-error : v+ + v- =  9.6162D-02
TOTAL ENERGY in ryd. :            -3304.89346441

Iteration finished on 2023/11/10 at 12: 6: 4
               Ne        
          TOT 10.96755134
      ITERATION  14 charge neutrality in unit cell =    -0.032449
                new E FERMI   0.5090334345  DOS(E_F) =     7.110150
      ITERATION  14 average rms-error : v+ + v- =  9.2599D-02
TOTAL ENERGY in ryd. :            -3304.89397480

Iteration finished on 2023/11/10 at 12: 6: 6
               Ne        
          TOT 10.96951633
      ITERATION  15 charge neutrality in unit cell =    -0.030484
                new E FERMI   0.5133374386  DOS(E_F) =     7.082631
      ITERATION  15 average rms-error : v+ + v- =  8.9254D-02
TOTAL ENERGY in ryd. :            -3304.89438230

Iteration finished on 2023/11/10 at 12: 6: 8
               Ne        
          TOT 10.97129506
      ITERATION  16 charge neutrality in unit cell =    -0.028705
                new E FERMI   0.5174066904  DOS(E_F) =     7.054107
      ITERATION  16 average rms-error : v+ + v- =  8.6100D-02
TOTAL ENERGY in ryd. :            -3304.89471111

Iteration finished on 2023/11/10 at 12: 6: 9
               Ne        
          TOT 10.97290966
      ITERATION  17 charge neutrality in unit cell =    -0.027090
                new E FERMI   0.5212629097  DOS(E_F) =     7.025104
      ITERATION  17 average rms-error : v+ + v- =  8.3116D-02
TOTAL ENERGY in ryd. :            -3304.89497968

Iteration finished on 2023/11/10 at 12: 6:11
               Ne        
          TOT 10.97437937
      ITERATION  18 charge neutrality in unit cell =    -0.025621
                new E FERMI   0.5249250791  DOS(E_F) =     6.996024
      ITERATION  18 average rms-error : v+ + v- =  8.0287D-02
TOTAL ENERGY in ryd. :            -3304.89520163

Iteration finished on 2023/11/10 at 12: 6:13
               Ne        
          TOT 10.97572101
      ITERATION  19 charge neutrality in unit cell =    -0.024279
                new E FERMI   0.5284098523  DOS(E_F) =     6.967166
      ITERATION  19 average rms-error : v+ + v- =  7.7595D-02
TOTAL ENERGY in ryd. :            -3304.89538713

Iteration finished on 2023/11/10 at 12: 6:15
               Ne        
          TOT 10.97694921
      ITERATION  20 charge neutrality in unit cell =    -0.023051
                new E FERMI   0.5317318898  DOS(E_F) =     6.938750
      ITERATION  20 average rms-error : v+ + v- =  7.5028D-02
TOTAL ENERGY in ryd. :            -3304.89554384

Iteration finished on 2023/11/10 at 12: 6:17
               Ne        
          TOT 10.97807682
      ITERATION  21 charge neutrality in unit cell =    -0.021923
                new E FERMI   0.5349041379  DOS(E_F) =     6.910928
      ITERATION  21 average rms-error : v+ + v- =  7.2576D-02
TOTAL ENERGY in ryd. :            -3304.89567753

Iteration finished on 2023/11/10 at 12: 6:18
               Ne        
          TOT 10.97911506
      ITERATION  22 charge neutrality in unit cell =    -0.020885
                new E FERMI   0.5379380607  DOS(E_F) =     6.883806
      ITERATION  22 average rms-error : v+ + v- =  7.0229D-02
TOTAL ENERGY in ryd. :            -3304.89579260

Iteration finished on 2023/11/10 at 12: 6:20
               Ne        
          TOT 10.98007379
      ITERATION  23 charge neutrality in unit cell =    -0.019926
                new E FERMI   0.5408438365  DOS(E_F) =     6.857450
      ITERATION  23 average rms-error : v+ + v- =  6.7979D-02
TOTAL ENERGY in ryd. :            -3304.89589240

Iteration finished on 2023/11/10 at 12: 6:22
               Ne        
          TOT 10.98096163
      ITERATION  24 charge neutrality in unit cell =    -0.019038
                new E FERMI   0.5436305242  DOS(E_F) =     6.831899
      ITERATION  24 average rms-error : v+ + v- =  6.5819D-02
TOTAL ENERGY in ryd. :            -3304.89597954

Iteration finished on 2023/11/10 at 12: 6:24
               Ne        
          TOT 10.98178618
      ITERATION  25 charge neutrality in unit cell =    -0.018214
                new E FERMI   0.5463062057  DOS(E_F) =     6.807168
      ITERATION  25 average rms-error : v+ + v- =  6.3742D-02
TOTAL ENERGY in ryd. :            -3304.89605604

Iteration finished on 2023/11/10 at 12: 6:26
               Ne        
          TOT 10.98255411
      ITERATION  26 charge neutrality in unit cell =    -0.017446
                new E FERMI   0.5488781094  DOS(E_F) =     6.783261
      ITERATION  26 average rms-error : v+ + v- =  6.1743D-02
TOTAL ENERGY in ryd. :            -3304.89612352

Iteration finished on 2023/11/10 at 12: 6:27
               Ne        
          TOT 10.98327125
      ITERATION  27 charge neutrality in unit cell =    -0.016729
                new E FERMI   0.5513527157  DOS(E_F) =     6.760166
      ITERATION  27 average rms-error : v+ + v- =  5.9818D-02
TOTAL ENERGY in ryd. :            -3304.89618323

Iteration finished on 2023/11/10 at 12: 6:29
               Ne        
          TOT 10.98394276
      ITERATION  28 charge neutrality in unit cell =    -0.016057
                new E FERMI   0.5537358500  DOS(E_F) =     6.737867
      ITERATION  28 average rms-error : v+ + v- =  5.7962D-02
TOTAL ENERGY in ryd. :            -3304.89623622

Iteration finished on 2023/11/10 at 12: 6:31
               Ne        
          TOT 10.98457314
      ITERATION  29 charge neutrality in unit cell =    -0.015427
                new E FERMI   0.5560327633  DOS(E_F) =     6.716343
      ITERATION  29 average rms-error : v+ + v- =  5.6171D-02
TOTAL ENERGY in ryd. :            -3304.89628334

Iteration finished on 2023/11/10 at 12: 6:33
               Ne        
          TOT 10.98516638
      ITERATION  30 charge neutrality in unit cell =    -0.014834
                new E FERMI   0.5582482017  DOS(E_F) =     6.695567
      ITERATION  30 average rms-error : v+ + v- =  5.4441D-02
TOTAL ENERGY in ryd. :            -3304.89632527

Iteration finished on 2023/11/10 at 12: 6:35
               Ne        
          TOT 10.98572597
      ITERATION  31 charge neutrality in unit cell =    -0.014274
                new E FERMI   0.5603864686  DOS(E_F) =     6.675514
      ITERATION  31 average rms-error : v+ + v- =  5.2771D-02
TOTAL ENERGY in ryd. :            -3304.89636260

Iteration finished on 2023/11/10 at 12: 6:37
               Ne        
          TOT 10.98625498
      ITERATION  32 charge neutrality in unit cell =    -0.013745
                new E FERMI   0.5624514777  DOS(E_F) =     6.656155
      ITERATION  32 average rms-error : v+ + v- =  5.1156D-02
TOTAL ENERGY in ryd. :            -3304.89639584

Iteration finished on 2023/11/10 at 12: 6:38
               Ne        
          TOT 10.98675612
      ITERATION  33 charge neutrality in unit cell =    -0.013244
                new E FERMI   0.5644468001  DOS(E_F) =     6.637463
      ITERATION  33 average rms-error : v+ + v- =  4.9595D-02
TOTAL ENERGY in ryd. :            -3304.89642540

Iteration finished on 2023/11/10 at 12: 6:40
               Ne        
          TOT 10.98723179
      ITERATION  34 charge neutrality in unit cell =    -0.012768
                new E FERMI   0.5663757049  DOS(E_F) =     6.619412
      ITERATION  34 average rms-error : v+ + v- =  4.8085D-02
TOTAL ENERGY in ryd. :            -3304.89645167

Iteration finished on 2023/11/10 at 12: 6:42
               Ne        
          TOT 10.98768408
      ITERATION  35 charge neutrality in unit cell =    -0.012316
                new E FERMI   0.5682411951  DOS(E_F) =     6.601973
      ITERATION  35 average rms-error : v+ + v- =  4.6624D-02
TOTAL ENERGY in ryd. :            -3304.89647496

Iteration finished on 2023/11/10 at 12: 6:44
               Ne        
          TOT 10.98811488
      ITERATION  36 charge neutrality in unit cell =    -0.011885
                new E FERMI   0.5700460387  DOS(E_F) =     6.585123
      ITERATION  36 average rms-error : v+ + v- =  4.5209D-02
TOTAL ENERGY in ryd. :            -3304.89649556

Iteration finished on 2023/11/10 at 12: 6:46
               Ne        
          TOT 10.98852584
      ITERATION  37 charge neutrality in unit cell =    -0.011474
                new E FERMI   0.5717927955  DOS(E_F) =     6.568837
      ITERATION  37 average rms-error : v+ + v- =  4.3840D-02
TOTAL ENERGY in ryd. :            -3304.89651373

Iteration finished on 2023/11/10 at 12: 6:47
               Ne        
          TOT 10.98891842
      ITERATION  38 charge neutrality in unit cell =    -0.011082
                new E FERMI   0.5734838412  DOS(E_F) =     6.553092
      ITERATION  38 average rms-error : v+ + v- =  4.2514D-02
TOTAL ENERGY in ryd. :            -3304.89652968

Iteration finished on 2023/11/10 at 12: 6:49
               Ne        
          TOT 10.98929394
      ITERATION  39 charge neutrality in unit cell =    -0.010706
                new E FERMI   0.5751213874  DOS(E_F) =     6.537865
      ITERATION  39 average rms-error : v+ + v- =  4.1229D-02
TOTAL ENERGY in ryd. :            -3304.89654364

Iteration finished on 2023/11/10 at 12: 6:51
               Ne        
          TOT 10.98965357
      ITERATION  40 charge neutrality in unit cell =    -0.010346
                new E FERMI   0.5767075003  DOS(E_F) =     6.523136
      ITERATION  40 average rms-error : v+ + v- =  3.9984D-02
TOTAL ENERGY in ryd. :            -3304.89655577

Iteration finished on 2023/11/10 at 12: 6:53
               Ne        
          TOT 10.98999835
      ITERATION  41 charge neutrality in unit cell =    -0.010002
                new E FERMI   0.5782441156  DOS(E_F) =     6.508884
      ITERATION  41 average rms-error : v+ + v- =  3.8778D-02
TOTAL ENERGY in ryd. :            -3304.89656625

Iteration finished on 2023/11/10 at 12: 6:55
               Ne        
          TOT 10.99032922
      ITERATION  42 charge neutrality in unit cell =    -0.009671
                new E FERMI   0.5797330524  DOS(E_F) =     6.495093
      ITERATION  42 average rms-error : v+ + v- =  3.7610D-02
TOTAL ENERGY in ryd. :            -3304.89657523

Iteration finished on 2023/11/10 at 12: 6:57
               Ne        
          TOT 10.99064702
      ITERATION  43 charge neutrality in unit cell =    -0.009353
                new E FERMI   0.5811760251  DOS(E_F) =     6.481742
      ITERATION  43 average rms-error : v+ + v- =  3.6477D-02
TOTAL ENERGY in ryd. :            -3304.89658285

Iteration finished on 2023/11/10 at 12: 6:58
               Ne        
          TOT 10.99095253
      ITERATION  44 charge neutrality in unit cell =    -0.009047
                new E FERMI   0.5825746535  DOS(E_F) =     6.468816
      ITERATION  44 average rms-error : v+ + v- =  3.5379D-02
TOTAL ENERGY in ryd. :            -3304.89658923

Iteration finished on 2023/11/10 at 12: 7: 0
               Ne        
          TOT 10.99124643
      ITERATION  45 charge neutrality in unit cell =    -0.008754
                new E FERMI   0.5839304723  DOS(E_F) =     6.456299
      ITERATION  45 average rms-error : v+ + v- =  3.4314D-02
TOTAL ENERGY in ryd. :            -3304.89659449

Iteration finished on 2023/11/10 at 12: 7: 2
               Ne        
          TOT 10.99152935
      ITERATION  46 charge neutrality in unit cell =    -0.008471
                new E FERMI   0.5852449384  DOS(E_F) =     6.444175
      ITERATION  46 average rms-error : v+ + v- =  3.3283D-02
TOTAL ENERGY in ryd. :            -3304.89659873

Iteration finished on 2023/11/10 at 12: 7: 4
               Ne        
          TOT 10.99180187
      ITERATION  47 charge neutrality in unit cell =    -0.008198
                new E FERMI   0.5865194381  DOS(E_F) =     6.432431
      ITERATION  47 average rms-error : v+ + v- =  3.2282D-02
TOTAL ENERGY in ryd. :            -3304.89660205

Iteration finished on 2023/11/10 at 12: 7: 6
               Ne        
          TOT 10.99206451
      ITERATION  48 charge neutrality in unit cell =    -0.007935
                new E FERMI   0.5877552932  DOS(E_F) =     6.421052
      ITERATION  48 average rms-error : v+ + v- =  3.1312D-02
TOTAL ENERGY in ryd. :            -3304.89660454

Iteration finished on 2023/11/10 at 12: 7: 7
               Ne        
          TOT 10.99231776
      ITERATION  49 charge neutrality in unit cell =    -0.007682
                new E FERMI   0.5889537661  DOS(E_F) =     6.410026
      ITERATION  49 average rms-error : v+ + v- =  3.0371D-02
TOTAL ENERGY in ryd. :            -3304.89660628

Iteration finished on 2023/11/10 at 12: 7: 9
               Ne        
          TOT 10.99256206
      ITERATION  50 charge neutrality in unit cell =    -0.007438
                new E FERMI   0.5901160646  DOS(E_F) =     6.399340
      ITERATION  50 average rms-error : v+ + v- =  2.9459D-02
TOTAL ENERGY in ryd. :            -3304.89660734

Iteration finished on 2023/11/10 at 12: 7:11
               Ne        
          TOT 10.99279782
      ITERATION  51 charge neutrality in unit cell =    -0.007202
                new E FERMI   0.5912433461  DOS(E_F) =     6.388982
      ITERATION  51 average rms-error : v+ + v- =  2.8574D-02
TOTAL ENERGY in ryd. :            -3304.89660779

Iteration finished on 2023/11/10 at 12: 7:13
               Ne        
          TOT 10.99302543
      ITERATION  52 charge neutrality in unit cell =    -0.006975
                new E FERMI   0.5923367209  DOS(E_F) =     6.378941
      ITERATION  52 average rms-error : v+ + v- =  2.7716D-02
TOTAL ENERGY in ryd. :            -3304.89660770

Iteration finished on 2023/11/10 at 12: 7:15
               Ne        
          TOT 10.99324523
      ITERATION  53 charge neutrality in unit cell =    -0.006755
                new E FERMI   0.5933972557  DOS(E_F) =     6.369207
      ITERATION  53 average rms-error : v+ + v- =  2.6884D-02
TOTAL ENERGY in ryd. :            -3304.89660712

Iteration finished on 2023/11/10 at 12: 7:17
               Ne        
          TOT 10.99345757
      ITERATION  54 charge neutrality in unit cell =    -0.006542
                new E FERMI   0.5944259766  DOS(E_F) =     6.359769
      ITERATION  54 average rms-error : v+ + v- =  2.6077D-02
TOTAL ENERGY in ryd. :            -3304.89660610

Iteration finished on 2023/11/10 at 12: 7:18
               Ne        
          TOT 10.99366275
      ITERATION  55 charge neutrality in unit cell =    -0.006337
                new E FERMI   0.5954238711  DOS(E_F) =     6.350617
      ITERATION  55 average rms-error : v+ + v- =  2.5294D-02
TOTAL ENERGY in ryd. :            -3304.89660469

Iteration finished on 2023/11/10 at 12: 7:20
               Ne        
          TOT 10.99386107
      ITERATION  56 charge neutrality in unit cell =    -0.006139
                new E FERMI   0.5963918910  DOS(E_F) =     6.341743
      ITERATION  56 average rms-error : v+ + v- =  2.4535D-02
TOTAL ENERGY in ryd. :            -3304.89660294

Iteration finished on 2023/11/10 at 12: 7:22
               Ne        
          TOT 10.99405279
      ITERATION  57 charge neutrality in unit cell =    -0.005947
                new E FERMI   0.5973309541  DOS(E_F) =     6.333136
      ITERATION  57 average rms-error : v+ + v- =  2.3799D-02
TOTAL ENERGY in ryd. :            -3304.89660088

Iteration finished on 2023/11/10 at 12: 7:24
               Ne        
          TOT 10.99423817
      ITERATION  58 charge neutrality in unit cell =    -0.005762
                new E FERMI   0.5982419461  DOS(E_F) =     6.324788
      ITERATION  58 average rms-error : v+ + v- =  2.3085D-02
TOTAL ENERGY in ryd. :            -3304.89659855

Iteration finished on 2023/11/10 at 12: 7:26
               Ne        
          TOT 10.99441746
      ITERATION  59 charge neutrality in unit cell =    -0.005583
                new E FERMI   0.5991257223  DOS(E_F) =     6.316691
      ITERATION  59 average rms-error : v+ + v- =  2.2392D-02
TOTAL ENERGY in ryd. :            -3304.89659599

Iteration finished on 2023/11/10 at 12: 7:28
               Ne        
          TOT 10.99459089
      ITERATION  60 charge neutrality in unit cell =    -0.005409
                new E FERMI   0.5999831091  DOS(E_F) =     6.308838
      ITERATION  60 average rms-error : v+ + v- =  2.1720D-02
TOTAL ENERGY in ryd. :            -3304.89659322

Iteration finished on 2023/11/10 at 12: 7:29
               Ne        
          TOT 10.99475867
      ITERATION  61 charge neutrality in unit cell =    -0.005241
                new E FERMI   0.6008149055  DOS(E_F) =     6.301219
      ITERATION  61 average rms-error : v+ + v- =  2.1068D-02
TOTAL ENERGY in ryd. :            -3304.89659028

Iteration finished on 2023/11/10 at 12: 7:31
               Ne        
          TOT 10.99492101
      ITERATION  62 charge neutrality in unit cell =    -0.005079
                new E FERMI   0.6016218843  DOS(E_F) =     6.293829
      ITERATION  62 average rms-error : v+ + v- =  2.0436D-02
TOTAL ENERGY in ryd. :            -3304.89658720

Iteration finished on 2023/11/10 at 12: 7:33
               Ne        
          TOT 10.99507812
      ITERATION  63 charge neutrality in unit cell =    -0.004922
                new E FERMI   0.6024047929  DOS(E_F) =     6.286659
      ITERATION  63 average rms-error : v+ + v- =  1.9823D-02
TOTAL ENERGY in ryd. :            -3304.89658398

Iteration finished on 2023/11/10 at 12: 7:35
               Ne        
          TOT 10.99523017
      ITERATION  64 charge neutrality in unit cell =    -0.004770
                new E FERMI   0.6031643552  DOS(E_F) =     6.279703
      ITERATION  64 average rms-error : v+ + v- =  1.9228D-02
TOTAL ENERGY in ryd. :            -3304.89658066

Iteration finished on 2023/11/10 at 12: 7:37
               Ne        
          TOT 10.99537736
      ITERATION  65 charge neutrality in unit cell =    -0.004623
                new E FERMI   0.6039012717  DOS(E_F) =     6.272955
      ITERATION  65 average rms-error : v+ + v- =  1.8651D-02
TOTAL ENERGY in ryd. :            -3304.89657725

Iteration finished on 2023/11/10 at 12: 7:38
               Ne        
          TOT 10.99551984
      ITERATION  66 charge neutrality in unit cell =    -0.004480
                new E FERMI   0.6046162209  DOS(E_F) =     6.266407
      ITERATION  66 average rms-error : v+ + v- =  1.8091D-02
TOTAL ENERGY in ryd. :            -3304.89657377

Iteration finished on 2023/11/10 at 12: 7:40
               Ne        
          TOT 10.99565778
      ITERATION  67 charge neutrality in unit cell =    -0.004342
                new E FERMI   0.6053098602  DOS(E_F) =     6.260054
      ITERATION  67 average rms-error : v+ + v- =  1.7548D-02
TOTAL ENERGY in ryd. :            -3304.89657024

Iteration finished on 2023/11/10 at 12: 7:42
               Ne        
          TOT 10.99579134
      ITERATION  68 charge neutrality in unit cell =    -0.004209
                new E FERMI   0.6059828265  DOS(E_F) =     6.253890
      ITERATION  68 average rms-error : v+ + v- =  1.7021D-02
TOTAL ENERGY in ryd. :            -3304.89656667

Iteration finished on 2023/11/10 at 12: 7:44
               Ne        
          TOT 10.99592067
      ITERATION  69 charge neutrality in unit cell =    -0.004079
                new E FERMI   0.6066357371  DOS(E_F) =     6.247909
      ITERATION  69 average rms-error : v+ + v- =  1.6510D-02
TOTAL ENERGY in ryd. :            -3304.89656308

Iteration finished on 2023/11/10 at 12: 7:46
               Ne        
          TOT 10.99604592
      ITERATION  70 charge neutrality in unit cell =    -0.003954
                new E FERMI   0.6072691902  DOS(E_F) =     6.242106
      ITERATION  70 average rms-error : v+ + v- =  1.6015D-02
TOTAL ENERGY in ryd. :            -3304.89655947

Iteration finished on 2023/11/10 at 12: 7:48
               Ne        
          TOT 10.99616721
      ITERATION  71 charge neutrality in unit cell =    -0.003833
                new E FERMI   0.6078837658  DOS(E_F) =     6.236474
      ITERATION  71 average rms-error : v+ + v- =  1.5534D-02
TOTAL ENERGY in ryd. :            -3304.89655586

Iteration finished on 2023/11/10 at 12: 7:49
               Ne        
          TOT 10.99628469
      ITERATION  72 charge neutrality in unit cell =    -0.003715
                new E FERMI   0.6084800264  DOS(E_F) =     6.231010
      ITERATION  72 average rms-error : v+ + v- =  1.5068D-02
TOTAL ENERGY in ryd. :            -3304.89655225

Iteration finished on 2023/11/10 at 12: 7:51
               Ne        
          TOT 10.99639849
      ITERATION  73 charge neutrality in unit cell =    -0.003602
                new E FERMI   0.6090585171  DOS(E_F) =     6.225708
      ITERATION  73 average rms-error : v+ + v- =  1.4616D-02
TOTAL ENERGY in ryd. :            -3304.89654866

Iteration finished on 2023/11/10 at 12: 7:53
               Ne        
          TOT 10.99650871
      ITERATION  74 charge neutrality in unit cell =    -0.003491
                new E FERMI   0.6096197668  DOS(E_F) =     6.220563
      ITERATION  74 average rms-error : v+ + v- =  1.4177D-02
TOTAL ENERGY in ryd. :            -3304.89654509

Iteration finished on 2023/11/10 at 12: 7:55
               Ne        
          TOT 10.99661549
      ITERATION  75 charge neutrality in unit cell =    -0.003385
                new E FERMI   0.6101642884  DOS(E_F) =     6.215570
      ITERATION  75 average rms-error : v+ + v- =  1.3751D-02
TOTAL ENERGY in ryd. :            -3304.89654155

Iteration finished on 2023/11/10 at 12: 7:57
               Ne        
          TOT 10.99671893
      ITERATION  76 charge neutrality in unit cell =    -0.003281
                new E FERMI   0.6106925794  DOS(E_F) =     6.210725
      ITERATION  76 average rms-error : v+ + v- =  1.3338D-02
TOTAL ENERGY in ryd. :            -3304.89653805

Iteration finished on 2023/11/10 at 12: 7:58
               Ne        
          TOT 10.99681915
      ITERATION  77 charge neutrality in unit cell =    -0.003181
                new E FERMI   0.6112051223  DOS(E_F) =     6.206024
      ITERATION  77 average rms-error : v+ + v- =  1.2938D-02
TOTAL ENERGY in ryd. :            -3304.89653458

Iteration finished on 2023/11/10 at 12: 8: 0
               Ne        
          TOT 10.99691624
      ITERATION  78 charge neutrality in unit cell =    -0.003084
                new E FERMI   0.6117023852  DOS(E_F) =     6.201462
      ITERATION  78 average rms-error : v+ + v- =  1.2550D-02
TOTAL ENERGY in ryd. :            -3304.89653116

Iteration finished on 2023/11/10 at 12: 8: 2
               Ne        
          TOT 10.99701032
      ITERATION  79 charge neutrality in unit cell =    -0.002990
                new E FERMI   0.6121848222  DOS(E_F) =     6.197034
      ITERATION  79 average rms-error : v+ + v- =  1.2173D-02
TOTAL ENERGY in ryd. :            -3304.89652779

Iteration finished on 2023/11/10 at 12: 8: 4
               Ne        
          TOT 10.99710148
      ITERATION  80 charge neutrality in unit cell =    -0.002899
                new E FERMI   0.6126528740  DOS(E_F) =     6.192738
      ITERATION  80 average rms-error : v+ + v- =  1.1807D-02
TOTAL ENERGY in ryd. :            -3304.89652447

            ++++++ NUMBER OF SCF STEPS EXHAUSTED ++++++
*******************************************************************************
Iteration finished on 2023/11/10 at 12: 8: 6
 -------------------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---------------------
