 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!! 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_20200220210506
 Calling MADELUNG3D
 Exited MADELUNG3D
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++            SCF ITERATIONS START                +++
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
started on 2020/ 2/20 at 21: 5: 6
               Ne        
          TOT 10.99739244
      ITERATION   1 charge neutrality in unit cell =    -0.002608
                new E FERMI   0.5256993256  DOS(E_F) =     7.162028
      ITERATION   1 average rms-error : v+ + v- =  1.0075D-02
TOTAL ENERGY in ryd. :            -3304.87919098

Iteration finished on 2020/ 2/20 at 21: 5: 7
               Ne        
          TOT 10.99747053
      ITERATION   2 charge neutrality in unit cell =    -0.002529
                new E FERMI   0.5260527079  DOS(E_F) =     7.157875
      ITERATION   2 average rms-error : v+ + v- =  9.7740D-03
TOTAL ENERGY in ryd. :            -3304.87918695

Iteration finished on 2020/ 2/20 at 21: 5: 8
               Ne        
          TOT 10.99754627
      ITERATION   3 charge neutrality in unit cell =    -0.002454
                new E FERMI   0.5263957022  DOS(E_F) =     7.153844
      ITERATION   3 average rms-error : v+ + v- =  9.4823D-03
TOTAL ENERGY in ryd. :            -3304.87918302

Iteration finished on 2020/ 2/20 at 21: 5: 8
               Ne        
          TOT 10.99761973
      ITERATION   4 charge neutrality in unit cell =    -0.002380
                new E FERMI   0.5267286105  DOS(E_F) =     7.149930
      ITERATION   4 average rms-error : v+ + v- =  9.1992D-03
TOTAL ENERGY in ryd. :            -3304.87917918

Iteration finished on 2020/ 2/20 at 21: 5: 9
               Ne        
          TOT 10.99769097
      ITERATION   5 charge neutrality in unit cell =    -0.002309
                new E FERMI   0.5270517260  DOS(E_F) =     7.146131
      ITERATION   5 average rms-error : v+ + v- =  8.9245D-03
TOTAL ENERGY in ryd. :            -3304.87917544

Iteration finished on 2020/ 2/20 at 21: 5:10
               Ne        
          TOT 10.99776008
      ITERATION   6 charge neutrality in unit cell =    -0.002240
                new E FERMI   0.5273653336  DOS(E_F) =     7.142443
      ITERATION   6 average rms-error : v+ + v- =  8.6580D-03
TOTAL ENERGY in ryd. :            -3304.87917180

Iteration finished on 2020/ 2/20 at 21: 5:11
               Ne        
          TOT 10.99782710
      ITERATION   7 charge neutrality in unit cell =    -0.002173
                new E FERMI   0.5276697099  DOS(E_F) =     7.138863
      ITERATION   7 average rms-error : v+ + v- =  8.3995D-03
TOTAL ENERGY in ryd. :            -3304.87916825

Iteration finished on 2020/ 2/20 at 21: 5:12
               Ne        
          TOT 10.99789211
      ITERATION   8 charge neutrality in unit cell =    -0.002108
                new E FERMI   0.5279651238  DOS(E_F) =     7.135388
      ITERATION   8 average rms-error : v+ + v- =  8.1486D-03
TOTAL ENERGY in ryd. :            -3304.87916479

Iteration finished on 2020/ 2/20 at 21: 5:12
               Ne        
          TOT 10.99795516
      ITERATION   9 charge neutrality in unit cell =    -0.002045
                new E FERMI   0.5282518362  DOS(E_F) =     7.132015
      ITERATION   9 average rms-error : v+ + v- =  7.9052D-03
TOTAL ENERGY in ryd. :            -3304.87916143

                 ++++++ SCF ITERATION CONVERGED ++++++
*******************************************************************************
Iteration finished on 2020/ 2/20 at 21: 5:13
 -------------------MEMORY CONSUMPTION REPORT-----------------------
 954 allocations and 1052 deallocations, remaining memory(B):-35912550
 Memory occupation peak: 11193 kB
 For the array: "RHO2NSNM" in routine "main2"
 -----------------END MEMORY CONSUMPTION REPORT---------------------
