 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!! 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_20231110120351
 Calling MADELUNG3D
 Exited MADELUNG3D
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++            SCF ITERATIONS START                +++
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
started on 2023/11/10 at 12: 3:51
               Ne spin dn  Ne spin up    m_spin
          TOT  4.98696680  2.89719689   -2.0898
      ITERATION   1 charge neutrality in unit cell =    -0.115836
                    TOTAL mag. moment in unit cell =    -2.089770
                new E FERMI   0.7173461615  DOS(E_F) =    13.952065
      ITERATION   1 average rms-error : v+ + v- =  3.8542D-02
                                        v+ - v- =  1.3945D-03
TOTAL ENERGY in ryd. :            -2541.11853363

            ++++++ NUMBER OF SCF STEPS EXHAUSTED ++++++
*******************************************************************************
Iteration finished on 2023/11/10 at 12: 4: 1
 -------------------MEMORY CONSUMPTION REPORT-----------------------
 296 allocations and 417 deallocations, remaining memory(B):-21235658
 Memory occupation peak: 17467 kB
 For the array: "RHO2NSNM" in routine "main2"
 -----------------END MEMORY CONSUMPTION REPORT---------------------
