filename of case.inc: Fe90M-111.incup
 JATOM =            1   J =            1
  ESX  =  -1.0240950232E+03 OCC =   2.0000000000E+00  2.0000000000E+00
   ESUM,EKIN =   -1086.4974368400001        0.0000000000000000     
 JATOM =            1   J =            2
  ESX  =  -1.1797807531E+02 OCC =   2.0000000000E+00  2.0000000000E+00
   ESUM,EKIN =   -2110.5924600280005        0.0000000000000000     
 JATOM =            1   J =            3
  ESX  =  -1.0158063897E+02 OCC =   2.0000000000E+00  2.0000000000E+00
   ESUM,EKIN =   -2228.5705353410003        0.0000000000000000     
 JATOM =            1   J =            4
  ESX  =  -1.9950070901E+02 OCC =   4.0000000000E+00  4.0000000000E+00
   ESUM,EKIN =   -2330.1511743100004        0.0000000000000000     
 JATOM =            1   J =            5
  ESX  =  -1.1506605278E+01 OCC =   2.0000000000E+00  2.0000000000E+00
   ESUM,EKIN =   -2529.6518833240007        0.0000000000000000     
   ESUM =   -2541.1584886020005     
 36. ITERATION


       DENSITY AT NUCLEUS
        JATOM        VALENCE       SEMI-CORE          CORE           TOTAL
:RUP001:   1        3.551565        0.000000     7607.288575     7610.840140

       DENSITY AT NUCLEUS
        JATOM        VALENCE       SEMI-CORE          CORE           TOTAL
:RDN001:   1        3.651327        0.000000     7607.860646     7611.511974

       SPINDENSITIES AT THE NUCLEUS (THOMSON) FOR ATOM  1
          VALENCE       SEMI-CORE            CORE           TOTAL
             3.091561        0.000000     6485.022574     6488.114135
             3.176048        0.000000     6485.510344     6488.686392
 Allocating CLM-arrays            3  MB
 Allocating nwav-arrays           0  MB
 Allocating cfft-array            0  MB
:NTO   : INTERSTITIAL     UP =     0.488010 DN =     0.520281 TOT =     1.008291

:NEC01: NUCLEAR AND ELECTRONIC CHARGE     26.00000    25.99871
:OTO   : INTERSTITIAL     UP =     0.488633 DN =     0.520946 TOT =     1.009579

:NEC02: NUCLEAR AND ELECTRONIC CHARGE     26.00000    26.00000

 Allocating PS:            0  MB
 Allocating SB:            0  MB
 Allocating Y,S:           1  MB

:MIX  :   MSD1   REGULARIZATION: 2.70E-04  GREED: 0.3000  Newton 1.00 0.728                
:CTO   : INTERSTITIAL     UP =     0.488633 DN =     0.520946 TOT =     1.009579

:NEC03: NUCLEAR AND ELECTRONIC CHARGE     26.00000    26.00000

:ENE  : *WARNING** TOTAL ENERGY IN Ry =        -2541.15848860

  
Time all        CPU  6.000E-02   Wall  7.208E-02 Threading  0.83 Nett 100.0 %
Time to setup   CPU  2.000E-02   Wall  3.828E-02 Threading  0.52 Nett  53.1 %
Time for MSEC   CPU  2.000E-02   Wall  1.413E-02 Threading  1.42 Nett  19.6 %
Time for Hist   CPU  1.000E-02   Wall  2.520E-03 Threading  3.97 Nett   3.5 %
Time for Scale  CPU  1.000E-02   Wall  1.119E-02 Threading  0.89 Nett  15.5 %
Time for output CPU  2.000E-02   Wall  1.967E-02 Threading  1.02 Nett  27.3 %