On Mon, 2012-11-12 at 08:13 +0000, Sakhrawi Taoufek wrote:
> i want to fix the volume and each time calculate the total energy to optimize the lattice parameter,
> there is any idea how to proceed.
$ grep -i volume PW/Doc/INPUT_PW.def
shape = all axis and angles, keeping the volume fixed
--
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy