[Pw_forum] Elastic Constant.

[Huiqun Zhou]

Stefano,

The straightforward approach is tedious for orthorgonal, monolinic, trilinic
systems. Should the lost implementation gain in these respects?

Huiqun Zhou
@Earth Sciences, Nanjing University, China

----- Original Message ----- 
From: "Stefano Baroni" <baroni at sissa.it>
To: "PWSCF Forum" <pw_forum at pwscf.org>
Sent: Sunday, June 14, 2009 6:01 PM
Subject: Re: [Pw_forum] Elastic Constant.


> Dear Bipul,
> 
> long ago there used to be an implementation of the linear-response  
> approach to elastic constants by SB, Giannozzi, and Testa:
> % Copyright (C) 2009 The American Physical Society
> % Please report any problems to prola at aps.org
> 
> @Article{PhysRevLett.59.2662,
>   title = {Elastic Constants of Crystals from Linear-Response Theory},
>   author = {Baroni, Stefano  and Giannozzi, Paolo  and Testa, Andrea },
>   journal = {Phys. Rev. Lett.},
>   volume = {59},
>   number = {23},
>   pages = {2662--2665},
>   numpages = {3},
>   year = {1987},
>   month = {Dec},
>   doi = {10.1103/PhysRevLett.59.2662},
>   publisher = {American Physical Society}
> }
> This is no longer available, partly because of the programmers'  
> lazyness, partly because there is not much to be gained with respect  
> to the straightforward approach you are following.
> 
> Stefano B
> 
> 
> On Jun 13, 2009, at 10:00 PM, Bipul Rakshit wrote:
> 
>> Dear Pwscf user,
>> I want to calculate the elastic constants for cubic structure for
>> LaSb, which is having NaCl structure. Although I have written a small
>> script for doing that. But if anybody develop any code, do he/she like
>> to share, so that I can compare my results.
>> Thanks
>> -- 
>> Bipul Rakshit
>> PhD Student,
>> Barkatullah University,
>> Bhopal 462026,
>> MP, India
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
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> 
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