Mon Apr 30 16:12:40 CEST 2018

 DSCF STATISTICS OUTPUT :

 integral neglect threshold       :  0.37E-10
 integral storage threshold THIZE :  0.10E-04
 integral storage threshold THIME :         5


 --------------------    1.ITERATION  --------------------
 norm of density matrix                :    4.97486936272    
 total energy                          : -154.80225802797    
 one-electron energy                   : -410.16190967105    
 two-electron energy                   :  152.86327374117    
 damping factor ttr                    :           0.3000    

 --------------------    2.ITERATION  --------------------
 RMS (maximum over irreps) of difference density =0.620291D-07
 
  weight factors dlin for linear combination of density matrices :
  0.99999998    
 accerr=   2.000  crierr=1000.000  ilam=  0  grange= 0.0      chatol=   0.634

 norm of differential density matrix   :   0.414739688565E-05
 norm of simple difference density     :   0.415098317778E-05
 norm of density matrix                :    4.97486928057    
 RMS of optimized differential CAO density matrix  =0.296174D-07
 cpu-time elapsed since end of
 last dp1 matrix construction          :        0.016 s
 total energy                          : -154.80225802868    
 one-electron energy                   : -410.16190998714    
 two-electron energy                   :  152.86327405655    
 energy increment                      :          -0.7123E-09
 damping factor ttr                    :           0.3000    

 --------------------    3.ITERATION  --------------------
 RMS (maximum over irreps) of difference density =0.529471D-07
 
  weight factors dlin for linear combination of density matrices :
  0.99999997       1.8492345    
 accerr=   3.375  crierr=  10.000  ilam=  0  grange= 0.0      chatol=   0.437

 norm of differential density matrix   :   0.502149330049E-06
 norm of simple difference density     :   0.355807838654E-05
 norm of density matrix                :    4.97486922475    
 RMS of optimized differential CAO density matrix  =0.329685D-08
 cpu-time elapsed since end of
 last dp1 matrix construction          :        0.014 s
 total energy                          : -154.80225802956    
 one-electron energy                   : -410.16191140815    
 two-electron energy                   :  152.86327547669    
 energy increment                      :          -0.8752E-09
 damping factor ttr                    :           0.1500    
