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

Tram Bui trambui at u.boisestate.edu
Fri Jan 18 22:35:57 CET 2013


Dear Everyone,
     I have a follow up question from my last post that would it be
possible to do calculation using QE codes to obtain elastic constants at
different temperature?

Regards,
Tram

On Fri, Jan 18, 2013 at 2:26 PM, Tram Bui <trambui at u.boisestate.edu> wrote:

> 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
>>
>> _______________________________________________ Pw_forum mailing list
>> Pw_forum at pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
>>
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>
>
>
> --
> Tram Bui
>
> M.S. Materials Science & Engineering
> trambui at u.boisestate.edu
>



-- 
Tram Bui

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