 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!! 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_20231110120956
 Calling MADELUNG2D
 Exited MADELUNG2D
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++            SCF ITERATIONS START                +++
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
started on 2023/11/10 at 12: 9:56
               Ne spin dn  Ne spin up    m_spin
          TOT  0.00000214  0.00000214    0.0000
          TOT  0.00024523  0.00024523    0.0000
          TOT  0.12110127  0.12110127    0.0000
          TOT  5.38586765  5.38586765    0.0000
          TOT  5.49720942  5.49720942    0.0000
          TOT  5.50008942  5.50008942    0.0000
      ITERATION   1 charge neutrality in unit cell =     0.009030
                    TOTAL mag. moment in unit cell =     0.000000
                new E FERMI   0.5876594876  DOS(E_F) =     2.329560
      ITERATION   1 average rms-error : v+ + v- =  2.4571D-02
                                        v+ - v- =  0.0000D+00
TOTAL ENERGY in ryd. :          -114008.71137510

            ++++++ NUMBER OF SCF STEPS EXHAUSTED ++++++
*******************************************************************************
Iteration finished on 2023/11/10 at 12:10:18
 -------------------MEMORY CONSUMPTION REPORT-----------------------
 474 allocations and 595 deallocations, remaining memory(B):-58451798
 Memory occupation peak: 41010 kB
 For the array: "RHO2NSNM" in routine "main2"
 -----------------END MEMORY CONSUMPTION REPORT---------------------
