[Wien] core hole

波 康 wientwok at yahoo.com.cn
Wed Jul 11 14:51:36 CEST 2007


Dear wien users,
   
         Recently, when I calculated the EELS , I wanted to add a core hole in my calculation. Accounting to the Manual, I added the core hole after scf and before calculation of the spectra. But someone tell me , I should add the core hole after initialization and before scf. I don't know which method of adding an core hole is right?
   
       Any reply will be appreciated!
   
     Best wishes!
     
                                                                            BoKang  

 		
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 Mp3疯狂搜-新歌热歌高速下   
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