[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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