[Wien] Elastic constant calculation for tetragonal system

Muhammad Sajjad sajjadpu at gmail.com
Thu Dec 17 12:57:14 CET 2015


Please ignore previous email, I found the way.

On Thu, Dec 17, 2015 at 2:15 PM, Muhammad Sajjad <sajjadpu at gmail.com> wrote:

> 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.
>



-- 
Kind Regards
Muhammad Sajjad
Post Doctoral Fellow
KAUST, KSA.
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