[Pw_forum] Phonon with Norm - Conserving pseudopotential

Duy Le ttduyle at gmail.com
Thu Sep 10 22:14:50 CEST 2009


Hi Meghdad,
You could use ld1 code for generating norm-conserving pot. for Ti.
http://www.quantum-espresso.org/input-syntax/INPUT_LD1.html

Or you can also use opium to generate it (input is already available at its
website).
http://www.sas.upenn.edu/rappegroup/htdocs/Research/psp_gga.html#Ti1

:-)

On Thu, Sep 10, 2009 at 8:07 AM, meghdad saeedian <
meghdad_saeedian at yahoo.com> wrote:

>  Dear all,
>
> I couldn't find the Ti norm-conserving LDA pseudopotential.
> Would you please some one provide me with it?
>
> Thanks in advance.
>
> Yours,
> Meghdad Saeedian
>
>
> --- On *Thu, 9/10/09, Stefano Baroni <baroni at sissa.it>* wrote:
>
>
>
> From: Stefano Baroni <baroni at sissa.it>
> Subject: Re: [Pw_forum] Phonon with Norm - Conserving pseudopotential
> To: "PWSCF Forum" <pw_forum at pwscf.org>
> Date: Thursday, September 10, 2009, 11:39 AM
>
>
> just try and let us know SB
>
> On Sep 10, 2009, at 8:07 AM, meghdad saeedian wrote:
>
>
> Dear all
>
> I calculated Dispersion curve of TiO2 with ultrasoft pseudopotential.  But
> the experimental  data for checking  gamma point is not enough . I want to
> know, How much my data will change, if I use Norm - Conserving
> pseudopotential?
>
> Thanks in advance
>
> Meghdad saeedian
> M.Sc student , University of tehran
>
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>    ---
> Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
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-- 
--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.
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