Thank you, pot_extrapolation='none' combined with wfc_extrapolation='none' does the trick.
Antoine Jay LAAS-CNRS Toulouse, France Le Lundi, Août 03, 2020 13:06 CEST, Paolo Giannozzi <[email protected]> a écrit: Try pot_extrapolation='none' Paolo On Mon, Aug 3, 2020 at 12:49 PM Antoine Jay <[email protected]> wrote:Dear all, Is it possible to perform a relaxation calculation without using the charge density of the previous geometry? startingpot and startingwfc have no influence on the second optimized geometry... Best regards, Antoine Jay LAAS-CNRS Toulouse, France _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) 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 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
