[Pw_forum] Question regarding calculation for elastic constants, shear modulus and young modulus

Tram Bui trambui at u.boisestate.edu
Fri Jan 18 22:26:35 CET 2013


Thank you very much, Ali
Tram

On Fri, Jan 18, 2013 at 2:20 PM, Ali KACHMAR <kachmar_ali at hotmail.fr> wrote:

>  Dear Tram,
>
> Please find below two posts are useful to what are you willing to do
>
> http://www.democritos.it/pipermail/pw_forum/2012-May/024015.html
>
> http://www.democritos.it/pipermail/pw_forum/2011-November/022483.html
>
>
> Ali
>
> ------------------------------
> Date: Fri, 18 Jan 2013 13:47:50 -0700
> From: trambui at u.boisestate.edu
> To: pw_forum at pwscf.org
> Subject: [Pw_forum] Question regarding calculation for elastic constants,
> shear modulus and young modulus
>
>
> Dear all QE Users,
>     Would you give me some insight information on how to set up the input
> files in order to calculate for the following material properties? elastic
> constant, shear modulus (G) and young modulus (E). If there is an tutorial
> on this, would you please direct me to it?
>
> Best regards,
>
> Tram Bui
>
> M.S. Materials Science & Engineering
> trambui at u.boisestate.edu
>
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>
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-- 
Tram Bui

M.S. Materials Science & Engineering
trambui at u.boisestate.edu
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