 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!! 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_20231110103055
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++            SCF ITERATIONS START                +++
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
started on 2023/11/10 at 10:30:55
               Ne        
          TOT 15.06827823
      ITERATION   1 charge neutrality in unit cell =   -13.931721
                new E FERMI   0.8318399826  DOS(E_F) =     2.648774
      ITERATION   1 average rms-error : v+ + v- =  6.1922D+00
TOTAL ENERGY in ryd. :            -2591.94754881

            ++++++ NUMBER OF SCF STEPS EXHAUSTED ++++++
*******************************************************************************
Iteration finished on 2023/11/10 at 10:30:58
 -------------------MEMORY CONSUMPTION REPORT-----------------------
 194 allocations and 315 deallocations, remaining memory(B):-6072786
 Memory occupation peak: 8650 kB
 For the array: "RHO2NSNM" in routine "main2"
 -----------------END MEMORY CONSUMPTION REPORT---------------------
