[Pw_forum] Regarding unit cell volume value in pw.x output file for noncubic

Bramha Pandey pandey.bramha at gmail.com
Fri Nov 30 15:38:36 CET 2012


Thank you Dear Prof. Paolo, i got where i was confused..:)

On Fri, Nov 30, 2012 at 5:20 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:

> On Fri, 2012-11-30 at 15:12 +0530, Bramha Pandey wrote:
>
> > Here i am still wondered if the actual volume is a^2*c for the bct,
>
> look at the three primitive lattice vectors (they are documented in
> INPUT_PW.* and reprinted on output), calculate the volume of the
> unit cell
>
> P.
> --
> Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
>
>
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-- 
Thanks and Regards
Bramha Prasad Pandey
Indian School of Mines(ISM)
Dhanbad, INDIA.
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