 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!! 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: 
  Compile options: intel  
  serial number for files: JuKKR__intel_20190625155335
 Calling MADELUNG3D
 Exited MADELUNG3D
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++            SCF ITERATIONS START                +++
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
started on 2019/ 6/25 at 15:53:35
               Ne        
          TOT 10.97207603
      ITERATION   1 charge neutrality in unit cell =    -0.027924
                new E FERMI   0.4184930550  DOS(E_F) =     6.734681
      ITERATION   1 average rms-error : v+ + v- =  1.7427D-01
TOTAL ENERGY in ryd. :            -3304.85359096

            ++++++ NUMBER OF SCF STEPS EXHAUSTED ++++++
*******************************************************************************
Iteration finished on 2019/ 6/25 at 15:53:38
 -------------------MEMORY CONSUMPTION REPORT-----------------------
 291 allocations and 413 deallocations, remaining memory(B):-37921222
 Memory occupation peak: 8883 kB
 For the array: "RHO2NSNM" in routine "main2"
 -----------------END MEMORY CONSUMPTION REPORT---------------------
