[Pw_forum] Fixed volume in high pressure calculations

Wilfredo Ibarra Hernández wibarrah at gmail.com
Fri Jan 28 18:10:24 CET 2011


Dear all

I'm relativity new using QE, I'm working with system under pressure, and I
want to know if it's possible relax the cell parameters but with fixed
volume.

I mean, I want relax the lattice parameters and the atomic positions, but
for a given volume value.

Thanks to all

Ibarra Hernàndez Wilfredo
Master student
Cinvestav, unidad Quèretaro
Quèretaro, Mèxico.
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