 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!! 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_20200220210535
 Calling MADELUNG3D
 Exited MADELUNG3D
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++            SCF ITERATIONS START                +++
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
started on 2020/ 2/20 at 21: 5:35
               Ne        
          TOT 10.99894378
      ITERATION   1 charge neutrality in unit cell =    -0.001056
                new E FERMI   0.6547409739  DOS(E_F) =     5.904272
      ITERATION   1 average rms-error : v+ + v- =  7.7909D-03
TOTAL ENERGY in ryd. :            -3304.89760000

Iteration finished on 2020/ 2/20 at 21: 5:36
               Ne        
          TOT 10.99803987
      ITERATION   2 charge neutrality in unit cell =    -0.001960
                new E FERMI   0.6550716553  DOS(E_F) =     5.927539
      ITERATION   2 average rms-error : v+ + v- =  7.4101D-03
TOTAL ENERGY in ryd. :            -3304.89758634

Iteration finished on 2020/ 2/20 at 21: 5:36
               Ne        
          TOT 10.96951114
      ITERATION   3 charge neutrality in unit cell =    -0.030489
                new E FERMI   0.6596897742  DOS(E_F) =     6.602008
      ITERATION   3 average rms-error : v+ + v- =  4.6773D-04
TOTAL ENERGY in ryd. :            -3304.89722829

Iteration finished on 2020/ 2/20 at 21: 5:37
               Ne        
          TOT 10.98518814
      ITERATION   4 charge neutrality in unit cell =    -0.014812
                new E FERMI   0.6620714827  DOS(E_F) =     6.219007
      ITERATION   4 average rms-error : v+ + v- =  6.4419D-04
TOTAL ENERGY in ryd. :            -3304.89738368

Iteration finished on 2020/ 2/20 at 21: 5:37
               Ne        
          TOT 10.98957878
      ITERATION   5 charge neutrality in unit cell =    -0.010421
                new E FERMI   0.6637735435  DOS(E_F) =     6.122708
      ITERATION   5 average rms-error : v+ + v- =  6.0255D-04
TOTAL ENERGY in ryd. :            -3304.89745364

Iteration finished on 2020/ 2/20 at 21: 5:38
               Ne        
          TOT 10.99530750
      ITERATION   6 charge neutrality in unit cell =    -0.004693
                new E FERMI   0.6645596564  DOS(E_F) =     5.969249
      ITERATION   6 average rms-error : v+ + v- =  2.8100D-04
TOTAL ENERGY in ryd. :            -3304.89752877

Iteration finished on 2020/ 2/20 at 21: 5:39
               Ne        
          TOT 10.99749443
      ITERATION   7 charge neutrality in unit cell =    -0.002506
                new E FERMI   0.6649836767  DOS(E_F) =     5.909082
      ITERATION   7 average rms-error : v+ + v- =  3.0939D-04
TOTAL ENERGY in ryd. :            -3304.89755463

Iteration finished on 2020/ 2/20 at 21: 5:39
               Ne        
          TOT 10.99943993
      ITERATION   8 charge neutrality in unit cell =    -0.000560
                new E FERMI   0.6650794267  DOS(E_F) =     5.849346
      ITERATION   8 average rms-error : v+ + v- =  4.7456D-05
TOTAL ENERGY in ryd. :            -3304.89757453

                 ++++++ SCF ITERATION CONVERGED ++++++
*******************************************************************************
Iteration finished on 2020/ 2/20 at 21: 5:40
 -------------------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---------------------
