 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!! 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 - 2016

 Code version: v2.2-22-g4f8f5ff
 Compile options: openmp-mac
-O2 -r8 -module ./OBJ -sox -traceback
-mkl -Wl,-stack_size,0x40000000,-stack_addr,0xf0000000

 serial number for files:kkrjm_v2.2-22-g4f8f5ff_openmp-mac_20171214102522
*******************************************************************************

 Number of OpenMP threads used:    1

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

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++            SCF ITERATIONS START                +++
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
started on 2017/12/14 at 10:25:22
               Ne         
          TOT 12.63761960
          TOT 12.63761960
          TOT 12.63761960
          TOT 12.63761960
      ITERATION   1 charge neutrality in unit cell =  -137.449522
                new E FERMI   1.0500000000  DOS(E_F) =     3.672746
      ITERATION   1 average rms-error : v+ + v- =  1.2977D+01
TOTAL ENERGY in ryd. :           -28679.93406508

            ++++++ NUMBER OF SCF STEPS EXHAUSTED ++++++
*******************************************************************************
Iteration finished on 2017/12/14 at 10:25:27
