[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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