 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!! 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_20231110120940
 Calling MADELUNG3D
 Exited MADELUNG3D
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++            SCF ITERATIONS START                +++
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
started on 2023/11/10 at 12: 9:43
               Ne spin dn  Ne spin up    m_spin
          TOT  5.50948767  5.50948767    0.0000
          TOT  5.50730994  5.50730994    0.0000
          TOT  5.50948767  5.50948767    0.0000
      ITERATION   1 charge neutrality in unit cell =     0.052571
                    TOTAL mag. moment in unit cell =     0.000000
                new E FERMI   0.5836697172  DOS(E_F) =     4.392114
      ITERATION   1 average rms-error : v+ + v- =  1.1436D-02
                                        v+ - v- =  0.0000D+00
TOTAL ENERGY in ryd. :          -114008.72258585

            ++++++ NUMBER OF SCF STEPS EXHAUSTED ++++++
*******************************************************************************
Iteration finished on 2023/11/10 at 12: 9:53
 -------------------MEMORY CONSUMPTION REPORT-----------------------
 462 allocations and 583 deallocations, remaining memory(B):-45734878
 Memory occupation peak: 21060 kB
 For the array: "RHO2NSNM" in routine "main2"
 -----------------END MEMORY CONSUMPTION REPORT---------------------
