[QE-users] Constrained calculation
Mahmoud Payami Shabestari
mpayami at aeoi.org.ir
Thu Dec 30 11:00:08 CET 2021
Hi Everybody.
Is it possible I define my own constraint and thereby the relevant penalty
functional for the pwscf calculations or constraints are limited to the ones
listed in DOC?
Any comment is highly appreciated.
Mahmoud
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Mahmoud Payami
NSTRI, AEOI, Tehran, Iran
Email: mpayami at aeoi.org.ir
Phone: +98 (0)21 82066504
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