 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!! 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_20231110120539
 Calling MADELUNG3D
 Exited MADELUNG3D
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++            SCF ITERATIONS START                +++
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
started on 2023/11/10 at 12: 5:39
               Ne        
          TOT 10.89933530
      ITERATION   1 charge neutrality in unit cell =    -0.100665
                new E FERMI   0.4246123893  DOS(E_F) =     6.548836
      ITERATION   1 average rms-error : v+ + v- =  1.8809D-01
TOTAL ENERGY in ryd. :            -3304.83570150

Iteration finished on 2023/11/10 at 12: 5:41
               Ne        
          TOT 10.91563401
      ITERATION   2 charge neutrality in unit cell =    -0.084366
                new E FERMI   0.4372841504  DOS(E_F) =     6.657796
      ITERATION   2 average rms-error : v+ + v- =  1.7610D-01
TOTAL ENERGY in ryd. :            -3304.85062899

Iteration finished on 2023/11/10 at 12: 5:42
               Ne        
          TOT 10.92283570
      ITERATION   3 charge neutrality in unit cell =    -0.077164
                new E FERMI   0.4486987976  DOS(E_F) =     6.760112
      ITERATION   3 average rms-error : v+ + v- =  1.6554D-01
TOTAL ENERGY in ryd. :            -3304.86173274

Iteration finished on 2023/11/10 at 12: 5:44
               Ne        
          TOT 10.92856597
      ITERATION   4 charge neutrality in unit cell =    -0.071434
                new E FERMI   0.4591331096  DOS(E_F) =     6.846070
      ITERATION   4 average rms-error : v+ + v- =  1.5610D-01
TOTAL ENERGY in ryd. :            -3304.87014507

Iteration finished on 2023/11/10 at 12: 5:46
               Ne        
          TOT 10.93379504
      ITERATION   5 charge neutrality in unit cell =    -0.066205
                new E FERMI   0.4687111865  DOS(E_F) =     6.912135
      ITERATION   5 average rms-error : v+ + v- =  1.4763D-01
TOTAL ENERGY in ryd. :            -3304.87652408

Iteration finished on 2023/11/10 at 12: 5:48
               Ne        
          TOT 10.93866980
      ITERATION   6 charge neutrality in unit cell =    -0.061330
                new E FERMI   0.4775239220  DOS(E_F) =     6.959269
      ITERATION   6 average rms-error : v+ + v- =  1.4001D-01
TOTAL ENERGY in ryd. :            -3304.88136039

Iteration finished on 2023/11/10 at 12: 5:50
               Ne        
          TOT 10.94319744
      ITERATION   7 charge neutrality in unit cell =    -0.056803
                new E FERMI   0.4856507275  DOS(E_F) =     6.989531
      ITERATION   7 average rms-error : v+ + v- =  1.3312D-01
TOTAL ENERGY in ryd. :            -3304.88502993

Iteration finished on 2023/11/10 at 12: 5:52
               Ne        
          TOT 10.94736033
      ITERATION   8 charge neutrality in unit cell =    -0.052640
                new E FERMI   0.4931650820  DOS(E_F) =     7.005215
      ITERATION   8 average rms-error : v+ + v- =  1.2687D-01
TOTAL ENERGY in ryd. :            -3304.88781943

Iteration finished on 2023/11/10 at 12: 5:53
               Ne        
          TOT 10.95115154
      ITERATION   9 charge neutrality in unit cell =    -0.048848
                new E FERMI   0.5001348111  DOS(E_F) =     7.008660
      ITERATION   9 average rms-error : v+ + v- =  1.2117D-01
TOTAL ENERGY in ryd. :            -3304.88994652

Iteration finished on 2023/11/10 at 12: 5:55
               Ne        
          TOT 10.95458319
      ITERATION  10 charge neutrality in unit cell =    -0.045417
                new E FERMI   0.5066209638  DOS(E_F) =     7.002119
      ITERATION  10 average rms-error : v+ + v- =  1.1594D-01
TOTAL ENERGY in ryd. :            -3304.89157568

Iteration finished on 2023/11/10 at 12: 5:57
               Ne        
          TOT 10.95768111
      ITERATION  11 charge neutrality in unit cell =    -0.042319
                new E FERMI   0.5126772012  DOS(E_F) =     6.987654
      ITERATION  11 average rms-error : v+ + v- =  1.1112D-01
TOTAL ENERGY in ryd. :            -3304.89283074

Iteration finished on 2023/11/10 at 12: 5:59
               Ne        
          TOT 10.96047702
      ITERATION  12 charge neutrality in unit cell =    -0.039523
                new E FERMI   0.5183500221  DOS(E_F) =     6.967078
      ITERATION  12 average rms-error : v+ + v- =  1.0666D-01
TOTAL ENERGY in ryd. :            -3304.89380452

Iteration finished on 2023/11/10 at 12: 6: 1
               Ne        
          TOT 10.96300312
      ITERATION  13 charge neutrality in unit cell =    -0.036997
                new E FERMI   0.5236794960  DOS(E_F) =     6.941938
      ITERATION  13 average rms-error : v+ + v- =  1.0252D-01
TOTAL ENERGY in ryd. :            -3304.89456640

Iteration finished on 2023/11/10 at 12: 6: 3
               Ne        
          TOT 10.96528956
      ITERATION  14 charge neutrality in unit cell =    -0.034710
                new E FERMI   0.5287001545  DOS(E_F) =     6.913523
      ITERATION  14 average rms-error : v+ + v- =  9.8643D-02
TOTAL ENERGY in ryd. :            -3304.89516813

Iteration finished on 2023/11/10 at 12: 6: 4
               Ne        
          TOT 10.96736348
      ITERATION  15 charge neutrality in unit cell =    -0.032637
                new E FERMI   0.5334418448  DOS(E_F) =     6.882888
      ITERATION  15 average rms-error : v+ + v- =  9.5011D-02
TOTAL ENERGY in ryd. :            -3304.89564850

Iteration finished on 2023/11/10 at 12: 6: 6
               Ne        
          TOT 10.96924898
      ITERATION  16 charge neutrality in unit cell =    -0.030751
                new E FERMI   0.5379304726  DOS(E_F) =     6.850874
      ITERATION  16 average rms-error : v+ + v- =  9.1593D-02
TOTAL ENERGY in ryd. :            -3304.89603589

Iteration finished on 2023/11/10 at 12: 6: 8
               Ne        
          TOT 10.97096732
      ITERATION  17 charge neutrality in unit cell =    -0.029033
                new E FERMI   0.5421886218  DOS(E_F) =     6.818146
      ITERATION  17 average rms-error : v+ + v- =  8.8366D-02
TOTAL ENERGY in ryd. :            -3304.89635198

Iteration finished on 2023/11/10 at 12: 6:10
               Ne        
          TOT 10.97253721
      ITERATION  18 charge neutrality in unit cell =    -0.027463
                new E FERMI   0.5462360648  DOS(E_F) =     6.785219
      ITERATION  18 average rms-error : v+ + v- =  8.5308D-02
TOTAL ENERGY in ryd. :            -3304.89661285

Iteration finished on 2023/11/10 at 12: 6:12
               Ne        
          TOT 10.97397514
      ITERATION  19 charge neutrality in unit cell =    -0.026025
                new E FERMI   0.5500901824  DOS(E_F) =     6.752483
      ITERATION  19 average rms-error : v+ + v- =  8.2405D-02
TOTAL ENERGY in ryd. :            -3304.89683059

Iteration finished on 2023/11/10 at 12: 6:13
               Ne        
          TOT 10.97529558
      ITERATION  20 charge neutrality in unit cell =    -0.024704
                new E FERMI   0.5537663110  DOS(E_F) =     6.720228
      ITERATION  20 average rms-error : v+ + v- =  7.9640D-02
TOTAL ENERGY in ryd. :            -3304.89701429

Iteration finished on 2023/11/10 at 12: 6:15
               Ne        
          TOT 10.97651129
      ITERATION  21 charge neutrality in unit cell =    -0.023489
                new E FERMI   0.5572780304  DOS(E_F) =     6.688664
      ITERATION  21 average rms-error : v+ + v- =  7.7003D-02
TOTAL ENERGY in ryd. :            -3304.89717084

Iteration finished on 2023/11/10 at 12: 6:17
               Ne        
          TOT 10.97763349
      ITERATION  22 charge neutrality in unit cell =    -0.022367
                new E FERMI   0.5606374056  DOS(E_F) =     6.657937
      ITERATION  22 average rms-error : v+ + v- =  7.4481D-02
TOTAL ENERGY in ryd. :            -3304.89730548

Iteration finished on 2023/11/10 at 12: 6:19
               Ne        
          TOT 10.97867206
      ITERATION  23 charge neutrality in unit cell =    -0.021328
                new E FERMI   0.5638551901  DOS(E_F) =     6.628144
      ITERATION  23 average rms-error : v+ + v- =  7.2066D-02
TOTAL ENERGY in ryd. :            -3304.89742225

Iteration finished on 2023/11/10 at 12: 6:21
               Ne        
          TOT 10.97963569
      ITERATION  24 charge neutrality in unit cell =    -0.020364
                new E FERMI   0.5669409978  DOS(E_F) =     6.599344
      ITERATION  24 average rms-error : v+ + v- =  6.9751D-02
TOTAL ENERGY in ryd. :            -3304.89752425

Iteration finished on 2023/11/10 at 12: 6:23
               Ne        
          TOT 10.98053205
      ITERATION  25 charge neutrality in unit cell =    -0.019468
                new E FERMI   0.5699034498  DOS(E_F) =     6.571566
      ITERATION  25 average rms-error : v+ + v- =  6.7527D-02
TOTAL ENERGY in ryd. :            -3304.89761390

Iteration finished on 2023/11/10 at 12: 6:24
               Ne        
          TOT 10.98136789
      ITERATION  26 charge neutrality in unit cell =    -0.018632
                new E FERMI   0.5727502990  DOS(E_F) =     6.544819
      ITERATION  26 average rms-error : v+ + v- =  6.5389D-02
TOTAL ENERGY in ryd. :            -3304.89769311

Iteration finished on 2023/11/10 at 12: 6:26
               Ne        
          TOT 10.98214916
      ITERATION  27 charge neutrality in unit cell =    -0.017851
                new E FERMI   0.5754885376  DOS(E_F) =     6.519094
      ITERATION  27 average rms-error : v+ + v- =  6.3332D-02
TOTAL ENERGY in ryd. :            -3304.89776341

Iteration finished on 2023/11/10 at 12: 6:28
               Ne        
          TOT 10.98288115
      ITERATION  28 charge neutrality in unit cell =    -0.017119
                new E FERMI   0.5781244899  DOS(E_F) =     6.494372
      ITERATION  28 average rms-error : v+ + v- =  6.1350D-02
TOTAL ENERGY in ryd. :            -3304.89782601

Iteration finished on 2023/11/10 at 12: 6:30
               Ne        
          TOT 10.98356849
      ITERATION  29 charge neutrality in unit cell =    -0.016432
                new E FERMI   0.5806638916  DOS(E_F) =     6.470624
      ITERATION  29 average rms-error : v+ + v- =  5.9439D-02
TOTAL ENERGY in ryd. :            -3304.89788190

Iteration finished on 2023/11/10 at 12: 6:32
               Ne        
          TOT 10.98421530
      ITERATION  30 charge neutrality in unit cell =    -0.015785
                new E FERMI   0.5831119597  DOS(E_F) =     6.447818
      ITERATION  30 average rms-error : v+ + v- =  5.7595D-02
TOTAL ENERGY in ryd. :            -3304.89793191

Iteration finished on 2023/11/10 at 12: 6:33
               Ne        
          TOT 10.98482524
      ITERATION  31 charge neutrality in unit cell =    -0.015175
                new E FERMI   0.5854734524  DOS(E_F) =     6.425918
      ITERATION  31 average rms-error : v+ + v- =  5.5816D-02
TOTAL ENERGY in ryd. :            -3304.89797671

Iteration finished on 2023/11/10 at 12: 6:35
               Ne        
          TOT 10.98540154
      ITERATION  32 charge neutrality in unit cell =    -0.014598
                new E FERMI   0.5877527217  DOS(E_F) =     6.404885
      ITERATION  32 average rms-error : v+ + v- =  5.4097D-02
TOTAL ENERGY in ryd. :            -3304.89801688

Iteration finished on 2023/11/10 at 12: 6:37
               Ne        
          TOT 10.98594707
      ITERATION  33 charge neutrality in unit cell =    -0.014053
                new E FERMI   0.5899537598  DOS(E_F) =     6.384681
      ITERATION  33 average rms-error : v+ + v- =  5.2435D-02
TOTAL ENERGY in ryd. :            -3304.89805291

Iteration finished on 2023/11/10 at 12: 6:39
               Ne        
          TOT 10.98646439
      ITERATION  34 charge neutrality in unit cell =    -0.013536
                new E FERMI   0.5920802386  DOS(E_F) =     6.365267
      ITERATION  34 average rms-error : v+ + v- =  5.0829D-02
TOTAL ENERGY in ryd. :            -3304.89808523

Iteration finished on 2023/11/10 at 12: 6:41
               Ne        
          TOT 10.98695577
      ITERATION  35 charge neutrality in unit cell =    -0.013044
                new E FERMI   0.5941355457  DOS(E_F) =     6.346607
      ITERATION  35 average rms-error : v+ + v- =  4.9276D-02
TOTAL ENERGY in ryd. :            -3304.89811420

Iteration finished on 2023/11/10 at 12: 6:42
               Ne        
          TOT 10.98742324
      ITERATION  36 charge neutrality in unit cell =    -0.012577
                new E FERMI   0.5961228152  DOS(E_F) =     6.328663
      ITERATION  36 average rms-error : v+ + v- =  4.7773D-02
TOTAL ENERGY in ryd. :            -3304.89814014

Iteration finished on 2023/11/10 at 12: 6:44
               Ne        
          TOT 10.98786860
      ITERATION  37 charge neutrality in unit cell =    -0.012131
                new E FERMI   0.5980449549  DOS(E_F) =     6.311402
      ITERATION  37 average rms-error : v+ + v- =  4.6318D-02
TOTAL ENERGY in ryd. :            -3304.89816335

Iteration finished on 2023/11/10 at 12: 6:46
               Ne        
          TOT 10.98829349
      ITERATION  38 charge neutrality in unit cell =    -0.011707
                new E FERMI   0.5999046700  DOS(E_F) =     6.294789
      ITERATION  38 average rms-error : v+ + v- =  4.4910D-02
TOTAL ENERGY in ryd. :            -3304.89818407

Iteration finished on 2023/11/10 at 12: 6:48
               Ne        
          TOT 10.98869934
      ITERATION  39 charge neutrality in unit cell =    -0.011301
                new E FERMI   0.6017044846  DOS(E_F) =     6.278794
      ITERATION  39 average rms-error : v+ + v- =  4.3547D-02
TOTAL ENERGY in ryd. :            -3304.89820254

Iteration finished on 2023/11/10 at 12: 6:50
               Ne        
          TOT 10.98908746
      ITERATION  40 charge neutrality in unit cell =    -0.010913
                new E FERMI   0.6034467600  DOS(E_F) =     6.263386
      ITERATION  40 average rms-error : v+ + v- =  4.2227D-02
TOTAL ENERGY in ryd. :            -3304.89821895

Iteration finished on 2023/11/10 at 12: 6:51
               Ne        
          TOT 10.98945902
      ITERATION  41 charge neutrality in unit cell =    -0.010541
                new E FERMI   0.6051337112  DOS(E_F) =     6.248538
      ITERATION  41 average rms-error : v+ + v- =  4.0948D-02
TOTAL ENERGY in ryd. :            -3304.89823349

Iteration finished on 2023/11/10 at 12: 6:53
               Ne        
          TOT 10.98981509
      ITERATION  42 charge neutrality in unit cell =    -0.010185
                new E FERMI   0.6067674208  DOS(E_F) =     6.234223
      ITERATION  42 average rms-error : v+ + v- =  3.9708D-02
TOTAL ENERGY in ryd. :            -3304.89824633

Iteration finished on 2023/11/10 at 12: 6:55
               Ne        
          TOT 10.99015662
      ITERATION  43 charge neutrality in unit cell =    -0.009843
                new E FERMI   0.6083498523  DOS(E_F) =     6.220417
      ITERATION  43 average rms-error : v+ + v- =  3.8508D-02
TOTAL ENERGY in ryd. :            -3304.89825762

Iteration finished on 2023/11/10 at 12: 6:57
               Ne        
          TOT 10.99048447
      ITERATION  44 charge neutrality in unit cell =    -0.009516
                new E FERMI   0.6098828605  DOS(E_F) =     6.207095
      ITERATION  44 average rms-error : v+ + v- =  3.7344D-02
TOTAL ENERGY in ryd. :            -3304.89826749

Iteration finished on 2023/11/10 at 12: 6:59
               Ne        
          TOT 10.99079944
      ITERATION  45 charge neutrality in unit cell =    -0.009201
                new E FERMI   0.6113682020  DOS(E_F) =     6.194237
      ITERATION  45 average rms-error : v+ + v- =  3.6217D-02
TOTAL ENERGY in ryd. :            -3304.89827609

Iteration finished on 2023/11/10 at 12: 7: 1
               Ne        
          TOT 10.99110225
      ITERATION  46 charge neutrality in unit cell =    -0.008898
                new E FERMI   0.6128075436  DOS(E_F) =     6.181821
      ITERATION  46 average rms-error : v+ + v- =  3.5124D-02
TOTAL ENERGY in ryd. :            -3304.89828351

Iteration finished on 2023/11/10 at 12: 7: 2
               Ne        
          TOT 10.99139354
      ITERATION  47 charge neutrality in unit cell =    -0.008606
                new E FERMI   0.6142024698  DOS(E_F) =     6.169828
      ITERATION  47 average rms-error : v+ + v- =  3.4064D-02
TOTAL ENERGY in ryd. :            -3304.89828987

Iteration finished on 2023/11/10 at 12: 7: 4
               Ne        
          TOT 10.99167394
      ITERATION  48 charge neutrality in unit cell =    -0.008326
                new E FERMI   0.6155544898  DOS(E_F) =     6.158241
      ITERATION  48 average rms-error : v+ + v- =  3.3037D-02
TOTAL ENERGY in ryd. :            -3304.89829526

Iteration finished on 2023/11/10 at 12: 7: 6
               Ne        
          TOT 10.99194397
      ITERATION  49 charge neutrality in unit cell =    -0.008056
                new E FERMI   0.6168650433  DOS(E_F) =     6.147041
      ITERATION  49 average rms-error : v+ + v- =  3.2041D-02
TOTAL ENERGY in ryd. :            -3304.89829978

Iteration finished on 2023/11/10 at 12: 7: 8
               Ne        
          TOT 10.99220417
      ITERATION  50 charge neutrality in unit cell =    -0.007796
                new E FERMI   0.6181355060  DOS(E_F) =     6.136214
      ITERATION  50 average rms-error : v+ + v- =  3.1076D-02
TOTAL ENERGY in ryd. :            -3304.89830349

Iteration finished on 2023/11/10 at 12: 7:10
               Ne        
          TOT 10.99245499
      ITERATION  51 charge neutrality in unit cell =    -0.007545
                new E FERMI   0.6193671944  DOS(E_F) =     6.125743
      ITERATION  51 average rms-error : v+ + v- =  3.0140D-02
TOTAL ENERGY in ryd. :            -3304.89830649

Iteration finished on 2023/11/10 at 12: 7:11
               Ne        
          TOT 10.99269689
      ITERATION  52 charge neutrality in unit cell =    -0.007303
                new E FERMI   0.6205613697  DOS(E_F) =     6.115614
      ITERATION  52 average rms-error : v+ + v- =  2.9232D-02
TOTAL ENERGY in ryd. :            -3304.89830882

Iteration finished on 2023/11/10 at 12: 7:13
               Ne        
          TOT 10.99293025
      ITERATION  53 charge neutrality in unit cell =    -0.007070
                new E FERMI   0.6217192418  DOS(E_F) =     6.105814
      ITERATION  53 average rms-error : v+ + v- =  2.8352D-02
TOTAL ENERGY in ryd. :            -3304.89831057

Iteration finished on 2023/11/10 at 12: 7:15
               Ne        
          TOT 10.99315546
      ITERATION  54 charge neutrality in unit cell =    -0.006845
                new E FERMI   0.6228419724  DOS(E_F) =     6.096330
      ITERATION  54 average rms-error : v+ + v- =  2.7499D-02
TOTAL ENERGY in ryd. :            -3304.89831179

Iteration finished on 2023/11/10 at 12: 7:17
               Ne        
          TOT 10.99337288
      ITERATION  55 charge neutrality in unit cell =    -0.006627
                new E FERMI   0.6239306787  DOS(E_F) =     6.087150
      ITERATION  55 average rms-error : v+ + v- =  2.6671D-02
TOTAL ENERGY in ryd. :            -3304.89831252

Iteration finished on 2023/11/10 at 12: 7:19
               Ne        
          TOT 10.99358284
      ITERATION  56 charge neutrality in unit cell =    -0.006417
                new E FERMI   0.6249864351  DOS(E_F) =     6.078262
      ITERATION  56 average rms-error : v+ + v- =  2.5868D-02
TOTAL ENERGY in ryd. :            -3304.89831282

Iteration finished on 2023/11/10 at 12: 7:20
               Ne        
          TOT 10.99378563
      ITERATION  57 charge neutrality in unit cell =    -0.006214
                new E FERMI   0.6260102766  DOS(E_F) =     6.069656
      ITERATION  57 average rms-error : v+ + v- =  2.5090D-02
TOTAL ENERGY in ryd. :            -3304.89831273

Iteration finished on 2023/11/10 at 12: 7:22
               Ne        
          TOT 10.99398157
      ITERATION  58 charge neutrality in unit cell =    -0.006018
                new E FERMI   0.6270032002  DOS(E_F) =     6.061322
      ITERATION  58 average rms-error : v+ + v- =  2.4335D-02
TOTAL ENERGY in ryd. :            -3304.89831229

Iteration finished on 2023/11/10 at 12: 7:24
               Ne        
          TOT 10.99417092
      ITERATION  59 charge neutrality in unit cell =    -0.005829
                new E FERMI   0.6279661677  DOS(E_F) =     6.053249
      ITERATION  59 average rms-error : v+ + v- =  2.3603D-02
TOTAL ENERGY in ryd. :            -3304.89831155

Iteration finished on 2023/11/10 at 12: 7:26
               Ne        
          TOT 10.99435394
      ITERATION  60 charge neutrality in unit cell =    -0.005646
                new E FERMI   0.6289001070  DOS(E_F) =     6.045428
      ITERATION  60 average rms-error : v+ + v- =  2.2893D-02
TOTAL ENERGY in ryd. :            -3304.89831053

Iteration finished on 2023/11/10 at 12: 7:28
               Ne        
          TOT 10.99453087
      ITERATION  61 charge neutrality in unit cell =    -0.005469
                new E FERMI   0.6298059138  DOS(E_F) =     6.037850
      ITERATION  61 average rms-error : v+ + v- =  2.2204D-02
TOTAL ENERGY in ryd. :            -3304.89830926

Iteration finished on 2023/11/10 at 12: 7:30
               Ne        
          TOT 10.99470196
      ITERATION  62 charge neutrality in unit cell =    -0.005298
                new E FERMI   0.6306844534  DOS(E_F) =     6.030507
      ITERATION  62 average rms-error : v+ + v- =  2.1536D-02
TOTAL ENERGY in ryd. :            -3304.89830778

Iteration finished on 2023/11/10 at 12: 7:31
               Ne        
          TOT 10.99486742
      ITERATION  63 charge neutrality in unit cell =    -0.005133
                new E FERMI   0.6315365620  DOS(E_F) =     6.023391
      ITERATION  63 average rms-error : v+ + v- =  2.0888D-02
TOTAL ENERGY in ryd. :            -3304.89830611

Iteration finished on 2023/11/10 at 12: 7:33
               Ne        
          TOT 10.99502745
      ITERATION  64 charge neutrality in unit cell =    -0.004973
                new E FERMI   0.6323630480  DOS(E_F) =     6.016493
      ITERATION  64 average rms-error : v+ + v- =  2.0260D-02
TOTAL ENERGY in ryd. :            -3304.89830428

Iteration finished on 2023/11/10 at 12: 7:35
               Ne        
          TOT 10.99518227
      ITERATION  65 charge neutrality in unit cell =    -0.004818
                new E FERMI   0.6331646931  DOS(E_F) =     6.009808
      ITERATION  65 average rms-error : v+ + v- =  1.9650D-02
TOTAL ENERGY in ryd. :            -3304.89830230

Iteration finished on 2023/11/10 at 12: 7:37
               Ne        
          TOT 10.99533205
      ITERATION  66 charge neutrality in unit cell =    -0.004668
                new E FERMI   0.6339422535  DOS(E_F) =     6.003326
      ITERATION  66 average rms-error : v+ + v- =  1.9059D-02
TOTAL ENERGY in ryd. :            -3304.89830019

Iteration finished on 2023/11/10 at 12: 7:39
               Ne        
          TOT 10.99547699
      ITERATION  67 charge neutrality in unit cell =    -0.004523
                new E FERMI   0.6346964610  DOS(E_F) =     5.997043
      ITERATION  67 average rms-error : v+ + v- =  1.8486D-02
TOTAL ENERGY in ryd. :            -3304.89829799

Iteration finished on 2023/11/10 at 12: 7:40
               Ne        
          TOT 10.99561724
      ITERATION  68 charge neutrality in unit cell =    -0.004383
                new E FERMI   0.6354280239  DOS(E_F) =     5.990951
      ITERATION  68 average rms-error : v+ + v- =  1.7930D-02
TOTAL ENERGY in ryd. :            -3304.89829569

Iteration finished on 2023/11/10 at 12: 7:42
               Ne        
          TOT 10.99575299
      ITERATION  69 charge neutrality in unit cell =    -0.004247
                new E FERMI   0.6361376282  DOS(E_F) =     5.985043
      ITERATION  69 average rms-error : v+ + v- =  1.7391D-02
TOTAL ENERGY in ryd. :            -3304.89829332

Iteration finished on 2023/11/10 at 12: 7:44
               Ne        
          TOT 10.99588438
      ITERATION  70 charge neutrality in unit cell =    -0.004116
                new E FERMI   0.6368259377  DOS(E_F) =     5.979315
      ITERATION  70 average rms-error : v+ + v- =  1.6868D-02
TOTAL ENERGY in ryd. :            -3304.89829089

Iteration finished on 2023/11/10 at 12: 7:46
               Ne        
          TOT 10.99601157
      ITERATION  71 charge neutrality in unit cell =    -0.003988
                new E FERMI   0.6374935958  DOS(E_F) =     5.973760
      ITERATION  71 average rms-error : v+ + v- =  1.6360D-02
TOTAL ENERGY in ryd. :            -3304.89828842

Iteration finished on 2023/11/10 at 12: 7:48
               Ne        
          TOT 10.99613470
      ITERATION  72 charge neutrality in unit cell =    -0.003865
                new E FERMI   0.6381412256  DOS(E_F) =     5.968372
      ITERATION  72 average rms-error : v+ + v- =  1.5868D-02
TOTAL ENERGY in ryd. :            -3304.89828590

Iteration finished on 2023/11/10 at 12: 7:50
               Ne        
          TOT 10.99625392
      ITERATION  73 charge neutrality in unit cell =    -0.003746
                new E FERMI   0.6387694306  DOS(E_F) =     5.963147
      ITERATION  73 average rms-error : v+ + v- =  1.5391D-02
TOTAL ENERGY in ryd. :            -3304.89828336

Iteration finished on 2023/11/10 at 12: 7:51
               Ne        
          TOT 10.99636935
      ITERATION  74 charge neutrality in unit cell =    -0.003631
                new E FERMI   0.6393787960  DOS(E_F) =     5.958080
      ITERATION  74 average rms-error : v+ + v- =  1.4928D-02
TOTAL ENERGY in ryd. :            -3304.89828081

Iteration finished on 2023/11/10 at 12: 7:53
               Ne        
          TOT 10.99648113
      ITERATION  75 charge neutrality in unit cell =    -0.003519
                new E FERMI   0.6399698886  DOS(E_F) =     5.953164
      ITERATION  75 average rms-error : v+ + v- =  1.4479D-02
TOTAL ENERGY in ryd. :            -3304.89827825

Iteration finished on 2023/11/10 at 12: 7:55
               Ne        
          TOT 10.99658937
      ITERATION  76 charge neutrality in unit cell =    -0.003411
                new E FERMI   0.6405432578  DOS(E_F) =     5.948396
      ITERATION  76 average rms-error : v+ + v- =  1.4043D-02
TOTAL ENERGY in ryd. :            -3304.89827569

Iteration finished on 2023/11/10 at 12: 7:57
               Ne        
          TOT 10.99669420
      ITERATION  77 charge neutrality in unit cell =    -0.003306
                new E FERMI   0.6410994363  DOS(E_F) =     5.943771
      ITERATION  77 average rms-error : v+ + v- =  1.3621D-02
TOTAL ENERGY in ryd. :            -3304.89827313

Iteration finished on 2023/11/10 at 12: 7:59
               Ne        
          TOT 10.99679573
      ITERATION  78 charge neutrality in unit cell =    -0.003204
                new E FERMI   0.6416389405  DOS(E_F) =     5.939285
      ITERATION  78 average rms-error : v+ + v- =  1.3211D-02
TOTAL ENERGY in ryd. :            -3304.89827058

Iteration finished on 2023/11/10 at 12: 8: 0
               Ne        
          TOT 10.99689407
      ITERATION  79 charge neutrality in unit cell =    -0.003106
                new E FERMI   0.6421622708  DOS(E_F) =     5.934933
      ITERATION  79 average rms-error : v+ + v- =  1.2813D-02
TOTAL ENERGY in ryd. :            -3304.89826806

Iteration finished on 2023/11/10 at 12: 8: 2
               Ne        
          TOT 10.99698932
      ITERATION  80 charge neutrality in unit cell =    -0.003011
                new E FERMI   0.6426699126  DOS(E_F) =     5.930711
      ITERATION  80 average rms-error : v+ + v- =  1.2428D-02
TOTAL ENERGY in ryd. :            -3304.89826555

            ++++++ NUMBER OF SCF STEPS EXHAUSTED ++++++
*******************************************************************************
Iteration finished on 2023/11/10 at 12: 8: 4
 -------------------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---------------------
