 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !!! 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: v2.2-23-g4a095c6
 Compile options: openmp-mac
-O2 -r8 -module ./OBJ -sox -traceback
-mkl -Wl,-stack_size,0x40000000,-stack_addr,0xf0000000

 serial number for files:kkrjm_v2.2-23-g4a095c6_openmp-mac_20180105092029
*******************************************************************************

 Number of OpenMP threads used:    1

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

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++            SCF ITERATIONS START                +++
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
started on 2018/ 1/ 5 at  9:20:29
               Ne spin dn  Ne spin up    m_spin 
          TOT  5.02490287  5.02490287    0.0000
          TOT  5.02490287  5.02490287    0.0000
          TOT  5.02490287  5.02490287    0.0000
          TOT  5.02490287  5.02490287    0.0000
      ITERATION   1 charge neutrality in unit cell =  -147.800777
                    TOTAL mag. moment in unit cell =     0.000000
                new E FERMI   0.1535770000  DOS(E_F) =     7.537613
      ITERATION   1 average rms-error : v+ + v- =  1.8830D+01
                                        v+ - v- =  0.0000D+00
TOTAL ENERGY in ryd. :           -27548.13340937

            ++++++ NUMBER OF SCF STEPS EXHAUSTED ++++++
*******************************************************************************
Iteration finished on 2018/ 1/ 5 at  9:21:30
