Dear Wannier90 Users,
I am currently working on where I have to apply the smr_fixed_en_width
parameter for a given smr_type in Wannier90 (postw90).
Would it be acceptable to use the same smearing method as the SCF
calculation and the same degauss value for the smr_fixed_en_width in
postw90?
(the selection of smearing type and degauss parameters in QE were done
based on SCF total energy convergence calculations, specifically the
K-point grid, smearing method, and degauss.)
Additionally, is there a way to cross-validate that the smearing type
used is appropriate for a given system? For example, can we compare the
DOS plots from Wannier90 and the DOS from QE to ensure consistency?
Your insights and suggestions would be greatly appreciated.
--
Thank You
Wenusara Satheekshana
University of Moratuwa, Sri Lanka
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