Dear Antoine, You could do it by using an external geometry optimizer. I suppose you could use ASE, and set up the QE calculator in ASE in such a way that the charge density isn't reused. Best regards, Michal Krompiec Merck KGaA
On Mon, 3 Aug 2020 at 11:49, Antoine Jay <a...@laas.fr> 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 users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users
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