[QE-users] ?==?utf-8?q? Do not reuse previous rho during relaxations

[Antoine Jay]

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 <p.giannozzi at gmail.com> a écrit:
 Try pot_extrapolation='none' Paolo On Mon, Aug 3, 2020 at 12:49 PM Antoine Jay <ajay at 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 _______________________________________________
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