[QE-users] restarting the calculation

[Aleksandra Oranskaia]

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/

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