 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!! 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_20231110095306
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++            SCF ITERATIONS START                +++
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
started on 2023/11/10 at  9:53: 6
               Ne        
          TOT 12.14854110
      ITERATION   1 charge neutrality in unit cell =   -16.851421
                new E FERMI   0.8267342218  DOS(E_F) =     2.788994
      ITERATION   1 average rms-error : v+ + v- =  6.9775D+00
TOTAL ENERGY in ryd. :            -2448.37579894

            ++++++ NUMBER OF SCF STEPS EXHAUSTED ++++++
*******************************************************************************
Iteration finished on 2023/11/10 at  9:53:16
 -------------------MEMORY CONSUMPTION REPORT-----------------------
 452 allocations and 573 deallocations, remaining memory(B):-7152746
 Memory occupation peak: 8847 kB
 For the array: "RHO2NSNM" in routine "main2"
 -----------------END MEMORY CONSUMPTION REPORT---------------------
