 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!! 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 - 2018

  Code version: v3.1-131-g02ea1f7e
  Compile options: intel  
  serial number for files: JuKKR_v3.1-131-g02ea1f7e_intel_20200226093729
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++            SCF ITERATIONS START                +++
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
started on 2020/ 2/26 at  9:37:30
               Ne        
          TOT 12.87073226
      ITERATION   1 charge neutrality in unit cell =   -16.129268
                new E FERMI   1.0500000000  DOS(E_F) =     2.436625
      ITERATION   1 average rms-error : v+ + v- =  6.8738D+00
TOTAL ENERGY in ryd. :            -2492.21909718

            ++++++ NUMBER OF SCF STEPS EXHAUSTED ++++++
*******************************************************************************
Iteration finished on 2020/ 2/26 at  9:37:42
 -------------------MEMORY CONSUMPTION REPORT-----------------------
 345 allocations and 467 deallocations, remaining memory(B):-13816694
 Memory occupation peak: 8780 kB
 For the array: "RHO2NSNM" in routine "main2"
 -----------------END MEMORY CONSUMPTION REPORT---------------------
