filename of case.inc: Fe30M001.incup
 JATOM =            1   J =            1
  ESX  =  -1.0241354536E+03 OCC =   2.0000000000E+00  2.0000000000E+00
   ESUM,EKIN =   -1086.2394452009999        0.0000000000000000     
 JATOM =            1   J =            2
  ESX  =  -1.1801897366E+02 OCC =   2.0000000000E+00  2.0000000000E+00
   ESUM,EKIN =   -2110.3748987760000        0.0000000000000000     
 JATOM =            1   J =            3
  ESX  =  -1.0162144345E+02 OCC =   2.0000000000E+00  2.0000000000E+00
   ESUM,EKIN =   -2228.3938724350000        0.0000000000000000     
 JATOM =            1   J =            4
  ESX  =  -1.9958233525E+02 OCC =   4.0000000000E+00  4.0000000000E+00
   ESUM,EKIN =   -2330.0153158809999        0.0000000000000000     
 JATOM =            1   J =            5
  ESX  =  -1.1549280884E+01 OCC =   2.0000000000E+00  2.0000000000E+00
   ESUM,EKIN =   -2529.5976511290000        0.0000000000000000     
   ESUM =   -2541.1469320130000     
110. ITERATION


       DENSITY AT NUCLEUS
        JATOM        VALENCE       SEMI-CORE          CORE           TOTAL
:RUP001:   1        3.553453        0.000000     7607.280748     7610.834201

       DENSITY AT NUCLEUS
        JATOM        VALENCE       SEMI-CORE          CORE           TOTAL
:RDN001:   1        3.657947        0.000000     7607.854131     7611.512077

       SPINDENSITIES AT THE NUCLEUS (THOMSON) FOR ATOM  1
          VALENCE       SEMI-CORE            CORE           TOTAL
             3.093179        0.000000     6485.015903     6488.109082
             3.181692        0.000000     6485.504793     6488.686485
 Allocating CLM-arrays            3  MB
 Allocating nwav-arrays           0  MB
 Allocating cfft-array            0  MB
:NTO   : INTERSTITIAL     UP =     0.492928 DN =     0.523493 TOT =     1.016421

:NEC01: NUCLEAR AND ELECTRONIC CHARGE     26.00000    25.99872
:OTO   : INTERSTITIAL     UP =     0.493547 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: 6.16E-04  GREED: 0.3000  Newton 1.00 0.221                
:CTO   : INTERSTITIAL     UP =     0.493547 DN =     0.524151 TOT =     1.017697

:NEC03: NUCLEAR AND ELECTRONIC CHARGE     26.00000    26.00000

:ENE  : *WARNING** TOTAL ENERGY IN Ry =        -2541.14693201

  
Time all        CPU  4.400E-01   Wall  1.518E-01 Threading  2.90 Nett 100.0 %
Time to setup   CPU  3.000E-01   Wall  1.048E-01 Threading  2.86 Nett  69.0 %
Time for MSEC   CPU  3.000E-02   Wall  1.266E-02 Threading  2.37 Nett   8.3 %
Time for Hist   CPU  1.000E-02   Wall  3.062E-03 Threading  3.27 Nett   2.0 %
Time for Scale  CPU  2.000E-02   Wall  9.072E-03 Threading  2.20 Nett   6.0 %
Time for output CPU  1.100E-01   Wall  3.434E-02 Threading  3.20 Nett  22.6 %