[Wien] core hole

波 康 wientwok at yahoo.com.cn
Mon Jul 23 03:59:36 CEST 2007


Dear wien users,
   
         I have ask the question about the core hole. But I alse have some problems. 
        
         I have removed an electron from case.inc and add this electron in case.in2c before scf. But should I remove this electron from case.in2c and add it back to case.inc after scf and before calculate the spectra.
   
          Any reply will be appreciated!
   
                                                                  BoKang
                                                                                                                                     

       
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