 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!! 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: kkrhost-v3.0-423-g7696f9b
  Compile options: intel hybrid 
  serial number for files: JuKKR_kkrhost-v3.0-423-g7696f9b_intel_20181122134136

*******************************************************************************

 Number of OpenMP threads used:    1

*******************************************************************************

 Number of MPI ranks used:    1

*******************************************************************************

 Calling MADELUNG3D
 Exited MADELUNG3D
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++            SCF ITERATIONS START                +++
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
started on 2018/11/22 at 13:41:37
               Ne        
          TOT 10.96549641
      ITERATION   1 charge neutrality in unit cell =    -0.034504
                new E FERMI   0.4143467608  DOS(E_F) =     6.757777
      ITERATION   1 average rms-error : v+ + v- =  1.7800D-01
TOTAL ENERGY in ryd. :            -3304.84888955

            ++++++ NUMBER OF SCF STEPS EXHAUSTED ++++++
*******************************************************************************
Iteration finished on 2018/11/22 at 13:41:42
 -------------------MEMORY CONSUMPTION REPORT-----------------------
 434 allocations and 554 deallocations, remaining memory(B):-92127422
 Memory occupation peak: 235378 kB
 For the array: "GLLKEM" in routine "kkrmat01"
 -----------------END MEMORY CONSUMPTION REPORT---------------------
