filename of case.inc: Fe30M100.incup
 JATOM =            1   J =            1
  ESX  =  -1.0241354470E+03 OCC =   2.0000000000E+00  2.0000000000E+00
   ESUM,EKIN =   -1086.2394864910000        0.0000000000000000     
 JATOM =            1   J =            2
  ESX  =  -1.1801896622E+02 OCC =   2.0000000000E+00  2.0000000000E+00
   ESUM,EKIN =   -2110.3749335029997        0.0000000000000000     
 JATOM =            1   J =            3
  ESX  =  -1.0162143609E+02 OCC =   2.0000000000E+00  2.0000000000E+00
   ESUM,EKIN =   -2228.3938997229998        0.0000000000000000     
 JATOM =            1   J =            4
  ESX  =  -1.9958232052E+02 OCC =   4.0000000000E+00  4.0000000000E+00
   ESUM,EKIN =   -2330.0153358139996        0.0000000000000000     
 JATOM =            1   J =            5
  ESX  =  -1.1549275690E+01 OCC =   2.0000000000E+00  2.0000000000E+00
   ESUM,EKIN =   -2529.5976563379995        0.0000000000000000     
   ESUM =   -2541.1469320279994     
 74. ITERATION


       DENSITY AT NUCLEUS
        JATOM        VALENCE       SEMI-CORE          CORE           TOTAL
:RUP001:   1        3.553432        0.000000     7607.280725     7610.834156

       DENSITY AT NUCLEUS
        JATOM        VALENCE       SEMI-CORE          CORE           TOTAL
:RDN001:   1        3.657937        0.000000     7607.854128     7611.512064

       SPINDENSITIES AT THE NUCLEUS (THOMSON) FOR ATOM  1
          VALENCE       SEMI-CORE            CORE           TOTAL
             3.093161        0.000000     6485.015884     6488.109044
             3.181684        0.000000     6485.504790     6488.686474
 Allocating CLM-arrays            3  MB
 Allocating nwav-arrays           0  MB
 Allocating cfft-array            0  MB
:NTO   : INTERSTITIAL     UP =     0.492927 DN =     0.523493 TOT =     1.016421

:NEC01: NUCLEAR AND ELECTRONIC CHARGE     26.00000    25.99872
:OTO   : INTERSTITIAL     UP =     0.493546 DN =     0.524151 TOT =     1.017697

:NEC02: NUCLEAR AND ELECTRONIC CHARGE     26.00000    26.00000

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

:MIX  :   MSE1   REGULARIZATION: 4.00E-04  GREED: 0.3000  Newton 1.00 0.471                
:CTO   : INTERSTITIAL     UP =     0.493546 DN =     0.524150 TOT =     1.017697

:NEC03: NUCLEAR AND ELECTRONIC CHARGE     26.00000    26.00000

:ENE  : *WARNING** TOTAL ENERGY IN Ry =        -2541.14693203

  
Time all        CPU  4.000E-01   Wall  1.311E-01 Threading  3.05 Nett 100.0 %
Time to setup   CPU  2.500E-01   Wall  7.974E-02 Threading  3.14 Nett  60.8 %
Time for MSEC   CPU  4.000E-02   Wall  1.288E-02 Threading  3.10 Nett   9.8 %
Time for Hist   CPU  1.000E-02   Wall  3.054E-03 Threading  3.27 Nett   2.3 %
Time for Scale  CPU  3.000E-02   Wall  9.311E-03 Threading  3.22 Nett   7.1 %
Time for output CPU  1.100E-01   Wall  3.849E-02 Threading  2.86 Nett  29.4 %