[Pw_forum] Elastic Constant.

[Stefano Baroni]

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
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