[Pw_forum] Pseudo potential MoS2

[Sohail Ahmad]

Dear Axel and users

I am looking for pseudo potential of Mo and S of pbe type

On QE web its available for S but not for Mo
For Mo,  it is pw91 type

I am worried , there would be a mismatch

I am new to QE and have not generated PP before

Thanks

Sohail 
King Khalid University
Saudi Arabia


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Today's Topics:

   1. Pseudopotential for MoS2 (Sohail Ahmad)
   2. Re: Pseudopotential for MoS2 (Axel Kohlmeyer)


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Message: 1
Date: Thu, 5 Jul 2012 14:53:53 +0800 (SGT)
From: Sohail Ahmad <sohailphysics at yahoo.co.in>
Subject: [Pw_forum] Pseudopotential for MoS2
To: Plane Wave <pw_forum at pwscf.org>
Message-ID:
    <1341471233.4994.YahooMailClassic at web192202.mail.sg3.yahoo.com>
Content-Type: text/plain; charset="utf-8"

Dear Pw users

Can any body help me in getting the link to obtain pseudo potentials for MoS2
Both LDA and GGA

Thanks

Sohail
King Khalid University
Saudi Arabia
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Message: 2
Date: Thu, 5 Jul 2012 09:37:58 +0200
From: Axel Kohlmeyer <akohlmey at gmail.com>
Subject: Re: [Pw_forum] Pseudopotential for MoS2
To: PWSCF Forum <pw_forum at pwscf.org>
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    <CADTmJ6GTTY4rRUL7Wxs34F5q2suMyAwmakXwkCFdZZ0t=Vf5xg at mail.gmail.com>
Content-Type: text/plain; charset=ISO-8859-1

On Thu, Jul 5, 2012 at 8:53 AM, Sohail Ahmad <sohailphysics at yahoo.co.in> wrote:
>
> Dear Pw users
>
> Can any body help me in getting the link to obtain pseudo potentials for MoS2
> Both LDA and GGA


...and i want a pony for christmas.

how about you start with the ones that are provided on the Q-E homepage?

axel.

>
> Thanks
>
> Sohail
> King Khalid University
> Saudi Arabia
>
> _______________________________________________
> Pw_forum mailing list
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--
Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.


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