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

[Paolo Giannozzi]

On Fri, 2012-11-30 at 14:20 +0530, Bramha Pandey wrote:

> I was trying to obtain the total energy of 'LiInTe2' in chalcopyrite
> structure with  bravais-lattice index= 7 [...] i calculated the volume
> of this system (v=sqrt3/2*a^2*c for hexagonal)

ibrav=7 is body-centered tetragonal, not hexagonal

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy