Continuation Run with Wannier90

Queries about input and output files, running specific calculations, etc.


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james_boulton
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Continuation Run with Wannier90

#1 Post by james_boulton » Wed Apr 20, 2022 12:40 am

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?

merzuk.kaltak
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Re: Continuation Run with Wannier90

#2 Post by merzuk.kaltak » Wed Apr 20, 2022 2:07 pm

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..

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