[Pw_forum] Generating Pseudo potential

Vi Vo vovi47 at yahoo.com
Sun Aug 15 03:33:17 CEST 2010

Thanks a lot,


From: Paolo Giannozzi <giannozz at democritos.it>
To: PWSCF Forum <pw_forum at pwscf.org>
Sent: Sat, August 14, 2010 3:45:54 AM
Subject: Re: [Pw_forum] Generating Pseudo potential

On Aug 1, 2010, at 6:34 , Vi Vo wrote:

> I am learning how to generate a pseudo potential (PP) from the  
> tutor notes.  I don't know based on what criteria to chose the  
> "rlderiv" at which ""nld" logarithmic derivatives are calculated.

I would choose something in the order of half a typical bond-bond  

Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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