[QE-users] Working principle of press tag in vc relax calculation

Anupriya Nyayban anupriya_rs at phy.nits.ac.in
Fri Mar 28 15:56:31 CET 2025


Dear experts and users,

I am curious to know how exactly 'press' tag  in vc relax works to provide
the relaxed lattice parameters and angles. I have observed that 'press' tag
in vc relax do not replicate the phase transition.
It will be a great help if anyone put some light on it.

Thanks and regards

Anupriya Nyayban
PDF, IISER Kolkata
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