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

Paolo Giannozzi giannozz at democritos.it
Fri Nov 30 12:50:46 CET 2012


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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