[QE-users] Calculation of Elastic constants

殷顺高 yinshungao at gmail.com
Tue Mar 13 14:37:13 CET 2018


Dear Megha Goyal,
thermo_pw package in Quantum Espresso suite may do what you want.

Best wishes,


2018-03-13 19:01 GMT+08:00 MEGHA GOYAL <megha3294 at gmail.com>:

> Dear Sam,
>
> Thanks a lot for your help
>
> ------------------------------------------------------------
> --------------------
> Megha Goyal
> Research Scholar
> Department of Physics
> Sant Longowal Inst. of Engg. & Tech.
> (Deemed University, Under MHRD, Govt. of India)
> Longowal, Sangrur -148106 (Punjab), India
> ------------------------------------------------------------
> ---------------------
>
> On Tue, Mar 13, 2018 at 4:17 PM, Azadi, Sam <s.azadi at imperial.ac.uk>
> wrote:
>
>> This may help:
>> http://iopscience.iop.org/article/10.1088/0953-8984/28/7/075401/meta
>>
>> Best,
>> Sam
>> ----------------------------------
>> Imperial College London
>>
>> On 13 Mar 2018, at 10:42, MEGHA GOYAL <megha3294 at gmail.com> wrote:
>>
>> Dear Experts,
>> I want to calculate elastic constants.
>> Can anyone guide me for that.
>>
>>
>> Thanks,
>> ------------------------------------------------------------
>> --------------------
>> Megha Goyal
>> Research Scholar
>> Department of Physics
>> Sant Longowal Inst. of Engg. & Tech.
>> (Deemed University, Under MHRD, Govt. of India)
>> Longowal, Sangrur -148106 (Punjab), India
>> ------------------------------------------------------------
>> ---------------------
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-- 
-------------------------------------
Dr. Shungao  Yin
Email: yinshungao at gmail.com <sgyin at semi.ac.cn>
College of Chemistry and Chemical Engineering,
Jiangxi Normal University,
Nanchang 330004, P.R.China
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