[Pw_forum] Pseudopotential with semicore states

[e kb]

Dear all,
  I am trying to generate a pseudopotential with semicore states,
  INPUT_LD1 file was very useful (thanks)
  but there is this sentence that i still couldnt understand what is exactly meant:
   (at Section 3.1 )
   "...use semicore states ONLY to produce the PP, use semicore 
   AND valence states (if occupied) to make the unscreening."
   
  It might be a very easy question, but i really couldnt get.
  Why should i use ONLY semicore states to produce PP,
   why not the -occupied- valance states  at that step?
   
  Thanks,
  Emine Kucukbenli

 		
---------------------------------
Get your email and more, right on the  new Yahoo.com 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20061009/cc00e489/attachment.html>