On Mon, Jan 20, 2020 at 8:54 AM Christoph Wolf <[email protected]> wrote:
did something change in the new version of PWSCF? > a lot of things changed, but nothing related to the self-consistency threshold. Note that if you are running a structural optimization, the effective threshold is reduced, by default up to a factor 100, as the structural optimization approaches the minimum, in order to prevent the self-consistency error on forces to become too large wrt forces Paolo -- 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
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