Hi, in Doc/constraints_HOWTO.tex there is some info on how constraints are implemented and how to implement a new one. It's rather old so no warranty it is still valid
Paolo On Thu, Dec 30, 2021 at 11:05 AM Mahmoud Payami Shabestari via users < [email protected]> wrote: > 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 > > --------------------------------------- > Mahmoud Payami > NSTRI, AEOI, Tehran, Iran > > Email: [email protected] > Phone: +98 (0)21 82066504 > -------------------------------------------------------- > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 206, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
