[Wien] File case.outputst
    Leonardo Pisani 
    pisani at itp.uni-frankfurt.de
       
    Tue Dec  9 13:25:13 CET 2003
    
    
  
Dear Wien Users,
I would like to have an information about the TRIAL ENERGIES for  Titanium 
written at the beginning of the TiC.outputst file .
For 1S the trial energy that is written there is  121.
The hydrogen-like energy value is Z^2/n^2 Ry.
For Titanium Z=22. So I get 22^2/1^2=484
that is 121/4.
Is it a matter of normalization ?
Thank you in advance.
Leonardo Pisani. 
    
    
More information about the Wien
mailing list