 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!! 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_20200220210050
 Calling MADELUNG3D
 Exited MADELUNG3D
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++            SCF ITERATIONS START                +++
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
started on 2020/ 2/20 at 21: 0:50
               Ne        
          TOT 10.96815771
      ITERATION   1 charge neutrality in unit cell =    -0.031842
                new E FERMI   0.6331737553  DOS(E_F) =     5.113630
      ITERATION   1 average rms-error : v+ + v- =  7.0101D-03
TOTAL ENERGY in ryd. :            -3304.87777463

Iteration finished on 2020/ 2/20 at 21: 0:51
               Ne        
          TOT 10.99678067
      ITERATION   2 charge neutrality in unit cell =    -0.003219
                new E FERMI   0.6338015451  DOS(E_F) =     5.128044
      ITERATION   2 average rms-error : v+ + v- =  6.6073D-03
TOTAL ENERGY in ryd. :            -3304.87765074

Iteration finished on 2020/ 2/20 at 21: 0:53
               Ne        
          TOT 11.00854314
      ITERATION   3 charge neutrality in unit cell =     0.008543
                new E FERMI   0.6320813208  DOS(E_F) =     4.966292
      ITERATION   3 average rms-error : v+ + v- =  1.1181D-02
TOTAL ENERGY in ryd. :            -3304.87642198

Iteration finished on 2020/ 2/20 at 21: 0:54
               Ne        
          TOT 11.00703572
      ITERATION   4 charge neutrality in unit cell =     0.007036
                new E FERMI   0.6306587232  DOS(E_F) =     4.945682
      ITERATION   4 average rms-error : v+ + v- =  1.4029D-02
TOTAL ENERGY in ryd. :            -3304.87572127

Iteration finished on 2020/ 2/20 at 21: 0:55
               Ne        
          TOT 10.96026675
      ITERATION   5 charge neutrality in unit cell =    -0.039733
                new E FERMI   0.6385152319  DOS(E_F) =     5.057368
      ITERATION   5 average rms-error : v+ + v- =  1.2400D-03
TOTAL ENERGY in ryd. :            -3304.87774853

Iteration finished on 2020/ 2/20 at 21: 0:56
               Ne        
          TOT 10.99202994
      ITERATION   6 charge neutrality in unit cell =    -0.007970
                new E FERMI   0.6400782173  DOS(E_F) =     5.099255
      ITERATION   6 average rms-error : v+ + v- =  1.2230D-04
TOTAL ENERGY in ryd. :            -3304.87759615

Iteration finished on 2020/ 2/20 at 21: 0:57
               Ne        
          TOT 10.99738347
      ITERATION   7 charge neutrality in unit cell =    -0.002617
                new E FERMI   0.6405912183  DOS(E_F) =     5.100442
      ITERATION   7 average rms-error : v+ + v- =  7.8119D-04
TOTAL ENERGY in ryd. :            -3304.87761226

Iteration finished on 2020/ 2/20 at 21: 0:58
               Ne        
          TOT 11.00056283
      ITERATION   8 charge neutrality in unit cell =     0.000563
                new E FERMI   0.6404807072  DOS(E_F) =     5.092958
      ITERATION   8 average rms-error : v+ + v- =  6.1514D-04
TOTAL ENERGY in ryd. :            -3304.87760854

Iteration finished on 2020/ 2/20 at 21: 1: 0
               Ne        
          TOT 11.00178102
      ITERATION   9 charge neutrality in unit cell =     0.001781
                new E FERMI   0.6401304870  DOS(E_F) =     5.085415
      ITERATION   9 average rms-error : v+ + v- =  1.1219D-04
TOTAL ENERGY in ryd. :            -3304.87759942

Iteration finished on 2020/ 2/20 at 21: 1: 1
               Ne        
          TOT 11.00049495
      ITERATION  10 charge neutrality in unit cell =     0.000495
                new E FERMI   0.6400331939  DOS(E_F) =     5.087194
      ITERATION  10 average rms-error : v+ + v- =  2.5566D-05
TOTAL ENERGY in ryd. :            -3304.87759578

                 ++++++ SCF ITERATION CONVERGED ++++++
*******************************************************************************
Iteration finished on 2020/ 2/20 at 21: 1: 2
 -------------------MEMORY CONSUMPTION REPORT-----------------------
 1764 allocations and 1859 deallocations, remaining memory(B):-35613886
 Memory occupation peak: 11485 kB
 For the array: "RHO2NSNM" in routine "main2"
 -----------------END MEMORY CONSUMPTION REPORT---------------------
