[QE-users] restarting the calculation

[Aleksandra Oranskaia]

Dear Lorenzo,

When I asked this question I thought about restarting the calculation from
the one with forced occupations = 'from_input' letting the system choose
its desired spin multiplicity with occupations = 'smearing'. Will play
around with this.

Thank you a lot for the help!
-- 
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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