[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20250328/d4069ddb/attachment.html>
More information about the users
mailing list