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