[Pw_forum] structural relaxation with constraints

[Nichols A. Romero]

Hi,

I looked in Doc/INPUT_PW file to see what type of optimizations with
constraints are available in PWSCF.

It looks like the only option is to the keep distances between atoms
fixed. Has anyone coded up other constraints, e.g. keeping the cell
shape fixed (i.e. fcc, bcc, etc.) but varying the volume?

Thanks,
--
Nichols A. Romero, PhD.
1613 Denise Dr. Apt. D
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