[Pw_forum] can pwscf compute elastic constant?

[bamidele ibrahim]

Dear Sanjeev,
  I understand the theoretical aspect of this concept, but i don't know how to do the calculation with pwscf. This is the reason why i repeated the question on the forum if anybody can give me the description of how the input file will look like. And if you cab help with the description, i will appreciate it.

Thanks,
Ibrahim

Adetunji Bamidele Ibrahim

Department of physics,University of Agriculture,

Abeokuta, Ogun State,Nigeria.

--- On Tue, 7/5/11, Sanjeev Gupta <physics.skgupta at gmail.com> wrote:

From: Sanjeev Gupta <physics.skgupta at gmail.com>
Subject: Re: [Pw_forum] can pwscf compute elastic constant?
To: "PWSCF Forum" <pw_forum at pwscf.org>
Date: Tuesday, July 5, 2011, 12:07 AM

i do not understand, why u asked same question, while your answer was given in old post.Please see and dont make separate.
Best Sanjeev



On Tue, Jul 5, 2011 at 11:17 AM, bamidele ibrahim <bamideleibrahim at yahoo.com> wrote:

Dear All,
  I want to know if the pwscf code can compute the elastic constant. If this is possible, can anybody with an idea give a description of how the input file for the calculation would look like. I will be delighted to read some lines from the forum.


Ciao 

Adetunji Bamidele Ibrahim

Department of physics,University of Agriculture,

Abeokuta, Ogun State,Nigeria.
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-- 
Dr. Sanjeev Kumar Gupta
Post Doctoral Fellow,
Department of Physics,

Bhavnagar University, Bhavnagar-364 022
Gujarat, India




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