[Pw_forum] Fw: Calculation of celldom1and celldom3 of TaB2

[Konrad Gruszka]

Hello,

Please attach your input file. Did you convert celldm's to Bohrs? The 
normal way is to do the 'relax' calculation before SCF.

Regards,
K. Gruszka /PhD Czestochowa University of Technology.


W dniu 07.04.2015 o 13:44, tomy tunde pisze:
>
>
> On Tuesday, March 17, 2015 7:55 AM, tomy tunde <rskadeniji at yahoo.com> 
> wrote:
>
>
> Sir,
> I calculated celldom1 and celldom3 of TaB2 this does not converge 
> please sir I need your assistance sir
> Thanks
> Adeniji Rasaki
> Funaab Abeokuta
> Sent from Yahoo Mail on Android 
> <https://overview.mail.yahoo.com/mobile/?.src=Android>
>
>
>
>
>
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-- 
dr inż. Konrad Gruszka
Politechnika Częstochowska
Instytut Fizyki

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