[Pw_forum] loop and GGA

Hua Pan phq323 at gmail.com
Sat Apr 7 09:36:05 CEST 2012


http://www.quantum-espresso.org/pseudo/1.3/html/Ni.html
I don't find it in the URL, only LDA and PBE pp.

---------- Forwarded message ----------
From: Yunpeng Wang <yunpengwang85 at gmail.com>
Date: 2012/4/7
Subject: Re: [Pw_forum] loop and GGA
To: Hua Pan <phq323 at gmail.com>


there must be a GGA PP for nickel. you can find it.

On Sat, Apr 7, 2012 at 1:00 PM, Hua Pan <phq323 at gmail.com> wrote:

> Hi all,
>
> I encountered some troubles when I simulated the structures and
> lattice constants of Nickel in PWSCF.
> 1. Didn't use loop in PWSCF code due to reduce workload.
> 2. No GGA potential of Nickel.
> How to deal with them?
> Thanks.
>
> Best reagards,
> Pan
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>



-- 
*Yunpeng Peter Wang*
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