Hello dear users and developers of QE! Can please somebody advise on how to restart the calculation when you successfully finish SCF calculation but want to re-run it with higher precision starting with the previously generated wavefunctions?
I tried restarting_mode = 'restart' but as I understand it works either for structural relaxations or non-complete SCF when max_sexonds was used. What am I missing? Thank you! -- Best wishes, Alex (she/her/hers), phd candidate in chemical sciences 'I.. a universe of atoms, an atom in the universe' (Richard P. Feynman) https://cpms.kaust.edu.sa/ -- This message and its contents, including attachments are intended solely for the original recipient. If you are not the intended recipient or have received this message in error, please notify me immediately and delete this message from your computer system. Any unauthorized use or distribution is prohibited. Please consider the environment before printing this email.
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