[Pw_forum] (no subject)

[Vi Vo]

Dear Paolo,

Thank you very much.


Vi





________________________________
From: Paolo Giannozzi <giannozz at democritos.it>
To: PWSCF Forum <pw_forum at pwscf.org>
Sent: Thu, July 28, 2011 8:33:51 AM
Subject: Re: [Pw_forum] (no subject)


On Jul 26, 2011, at 21:29 , Vi Vo wrote:

> In LDA+U calculation I also see these warning, so what will be the  
> risk or unreliability.

there is no risk, as long as bound atomic states are present in the  
PP files.
I guess that the "zero-norm" states that are still present in some PP  
files are
unbound states used uring thr generation of the PP. They do not  
affect the
final results in any way.

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




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