 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!! 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_20200219095344
 Calling MADELUNG3D
 Exited MADELUNG3D
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++            SCF ITERATIONS START                +++
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
started on 2020/ 2/19 at  9:53:44
               Ne        
          TOT 10.99900395
      ITERATION   1 charge neutrality in unit cell =    -0.000996
                new E FERMI   0.5283921053  DOS(E_F) =     7.100975
      ITERATION   1 average rms-error : v+ + v- =  7.8949D-03
TOTAL ENERGY in ryd. :            -3304.87917273

Iteration finished on 2020/ 2/19 at  9:53:45
               Ne        
          TOT 10.99788388
      ITERATION   2 charge neutrality in unit cell =    -0.002116
                new E FERMI   0.5286888323  DOS(E_F) =     7.131539
      ITERATION   2 average rms-error : v+ + v- =  7.5156D-03
TOTAL ENERGY in ryd. :            -3304.87915410

Iteration finished on 2020/ 2/19 at  9:53:46
               Ne        
          TOT 10.96224297
      ITERATION   3 charge neutrality in unit cell =    -0.037757
                new E FERMI   0.5334436716  DOS(E_F) =     7.940758
      ITERATION   3 average rms-error : v+ + v- =  9.3877D-04
TOTAL ENERGY in ryd. :            -3304.87874528

Iteration finished on 2020/ 2/19 at  9:53:47
               Ne        
          TOT 10.98631668
      ITERATION   4 charge neutrality in unit cell =    -0.013683
                new E FERMI   0.5352961178  DOS(E_F) =     7.386623
      ITERATION   4 average rms-error : v+ + v- =  1.1706D-03
TOTAL ENERGY in ryd. :            -3304.87888515

Iteration finished on 2020/ 2/19 at  9:53:47
               Ne        
          TOT 10.99102449
      ITERATION   5 charge neutrality in unit cell =    -0.008976
                new E FERMI   0.5365284698  DOS(E_F) =     7.283234
      ITERATION   5 average rms-error : v+ + v- =  1.1142D-04
TOTAL ENERGY in ryd. :            -3304.87894805

Iteration finished on 2020/ 2/19 at  9:53:48
               Ne        
          TOT 10.99517680
      ITERATION   6 charge neutrality in unit cell =    -0.004823
                new E FERMI   0.5372009764  DOS(E_F) =     7.171967
      ITERATION   6 average rms-error : v+ + v- =  2.1497D-04
TOTAL ENERGY in ryd. :            -3304.87901063

Iteration finished on 2020/ 2/19 at  9:53:49
               Ne        
          TOT 10.99709946
      ITERATION   7 charge neutrality in unit cell =    -0.002901
                new E FERMI   0.5376083527  DOS(E_F) =     7.120049
      ITERATION   7 average rms-error : v+ + v- =  4.8774D-04
TOTAL ENERGY in ryd. :            -3304.87903268

Iteration finished on 2020/ 2/19 at  9:53:50
               Ne        
          TOT 10.99986124
      ITERATION   8 charge neutrality in unit cell =    -0.000139
                new E FERMI   0.5376280994  DOS(E_F) =     7.026810
      ITERATION   8 average rms-error : v+ + v- =  2.7225D-05
TOTAL ENERGY in ryd. :            -3304.87906096

                 ++++++ SCF ITERATION CONVERGED ++++++
*******************************************************************************
Iteration finished on 2020/ 2/19 at  9:53:51
 -------------------MEMORY CONSUMPTION REPORT-----------------------
 864 allocations and 965 deallocations, remaining memory(B):-36211214
 Memory occupation peak: 10901 kB
 For the array: "RHO2NSNM" in routine "main2"
 -----------------END MEMORY CONSUMPTION REPORT---------------------
