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Continuation Run with Wannier90

Posted: Wed Apr 20, 2022 12:40 am
by james_boulton
Is it possible to continue a self-consistent run that has the tag "lwannier90=true" to write the files for a wannier90 run?
If not, how should the self-consistent run prior to the Wannier90 calculation be formulated if it must be done in multiple steps?

Re: Continuation Run with Wannier90

Posted: Wed Apr 20, 2022 2:07 pm
by merzuk.kaltak
Dear James,

as far as I know, one needs the "mmn" and "amn" matrices. They are writen if your INCAR contains a line with LWRITE_MMN_AMN=.TRUE..