[Pw_forum] Generating Pseudo potential

[Vi Vo]

Thanks a lot,

Vi




________________________________
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  
distance

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



_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org
http://www.democritos.it/mailman/listinfo/pw_forum



      
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100814/70226e18/attachment.html>