[Wien] Query regarding elastic constants of SnSe2

[shamik chakrabarti]

Dear Sir,

           Thanks for your mail regarding the reference. I have downloaded
it & will go through it.

with regards,

On Sat, 10 Aug 2024 at 20:48, Fecher, Gerhard <fecher at uni-mainz.de> wrote:

> I strongly recomment to read and understand the original thesis of
> Rostam Golesorkhtabar (Leoben, April 2013) also published in CPC 184
> (2013) 1861
> from the group of Claudia Ambrosch–Draxl
> that explains for the ElastiC code in much detail about the parameters,
> symmetry, and the effect of the size of the distortion as well as the order
> of the polynomial fits.
>
> Ciao
> Gerhard
>
> DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
> "I think the problem, to be quite honest with you,
> is that you have never actually known what the question is."
>
> ====================================
> Dr. Gerhard H. Fecher
> Institut of Physics
> Johannes Gutenberg - University
> 55099 Mainz
> ________________________________________
> Von: Wien [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von
> morteza jamal via Wien [wien at zeus.theochem.tuwien.ac.at]
> Gesendet: Samstag, 10. August 2024 13:43
> An: shamik15041981 at gmail.com; wien at zeus.theochem.tuwien.ac.at
> Cc: morteza jamal
> Betreff: Re: [Wien] Query regarding elastic constants of SnSe2
>
> When the sensitivity of elastic constant calculations ignores with respect
> to the order of fit.
>
> However from view point of theory, when the strain is small ( very small)
> , the optimized value for order of fit is 2.
>
> IRelast package checks sensitivity of elastic constants calculations  to
> the order of fit and prints them.
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-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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