 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!! 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_20231110121032
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++            SCF ITERATIONS START                +++
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
started on 2023/11/10 at 12:10:32
               Ne spin dn  Ne spin up    m_spin
          TOT 16.54797714 16.54797714    0.0000
          TOT 16.33916334 16.33916334    0.0000
          TOT 16.54797706 16.54797706    0.0000
      ITERATION   1 charge neutrality in unit cell =  -137.979440
                    TOTAL mag. moment in unit cell =    -0.150419
                new E FERMI   0.8581554207  DOS(E_F) =    32.956745
      ITERATION   1 average rms-error : v+ + v- =  2.1964D+01
                                        v+ - v- =  1.6462D-03
TOTAL ENERGY in ryd. :           -79472.05835942

            ++++++ NUMBER OF SCF STEPS EXHAUSTED ++++++
*******************************************************************************
Iteration finished on 2023/11/10 at 12:10:32
 -------------------MEMORY CONSUMPTION REPORT-----------------------
 180 allocations and 301 deallocations, remaining memory(B):-13477630
 Memory occupation peak: 20805 kB
 For the array: "RHO2NSNM" in routine "main2"
 -----------------END MEMORY CONSUMPTION REPORT---------------------
