[Wien] Elastic constant calculation for tetragonal system

Muhammad Sajjad sajjadpu at gmail.com
Thu Dec 17 12:15:58 CET 2015


Thank you Tomas. I read this paper. My concern is
for cubic I used
instgen_lapw
init_elast
elast_setup
./eos.job
./rhomb.job
./tetra.job
What should be the steps for tetragonal system?

On Thu, Dec 17, 2015 at 1:29 PM, Tomas Kana <kana at seznam.cz> wrote:

> Dear Muhammad, try this link:
>
> http://www.electrochemsci.org/papers/vol8/81112252.pdf
>
> Best regards
>
> Tomas
>
>
> ---------- Původní zpráva ----------
> Od: Muhammad Sajjad <sajjadpu at gmail.com>
> Komu: wien <wien at zeus.theochem.tuwien.ac.at>
> Datum: 16. 12. 2015 15:49:50
> Předmět: [Wien] Elastic constant calculation for tetragonal system
>
> Dear all
> Can we use same method to calculate elastic constant for tetragonal system
> as we do for cubic system?
>
>
>
> --
> Kind Regards
> Muhammad Sajjad
> Post Doctoral Fellow
> KAUST, KSA.
>
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-- 
Kind Regards
Muhammad Sajjad
Post Doctoral Fellow
KAUST, KSA.
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