[QE-users] Calculation of Elastic constants
殷顺高
yinshungao at gmail.com
Wed Mar 14 08:56:35 CET 2018
Dear Megha Goyal,
You can google “thermo_pw”, you will find the online manual, and examples
are included in the package.
Best wishes
Shungao
MEGHA GOYAL <megha3294 at gmail.com>于2018年3月14日 周三15:37写道:
> Dear Sir,
> Can you tell me where I can get tutorials of this package.
>
> Thank you
>
>
> --------------------------------------------------------------------------------
> 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 7:07 PM, 殷顺高 <yinshungao at gmail.com> wrote:
>
>> 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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--
-------------------------------------
殷顺高 博士
Dr. Shungao Yin
Tel:(+86)0158-7903-5569
Email: yinshungao at gmail.com <sgyin at semi.ac.cn>
江西师范大学化学化工学院
College of Chemistry and Chemical Engineering,
Jiangxi Normal University,
Nanchang 330004, P.R.China
-------------------------------------
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