Dear Wannier90 Users,
I am writing to seek clarification on a couple of aspects regarding the
usage and assessment of Wannier functions in the Wannier90.
1.Disentanglement Convergence Criteria:
When the convergence criterion, (Delta (frac.)), is satisfied, does it
generally imply that the final gauge-invariant result is of good (or it
is to start next step; wannierization)?
2.Assessment of Wannierization Quality (in the iteration step):
In the process of wannierization, is it acceptable practice to assess
the quality of the obtained Wannier functions by examining the Delta
values of diagonal , off-diagonal and total spread terms terms?
Your insights and expertise on these matters would be immensely valuable
to me.
--
Thank You
Wenusara Satheekshana
University of Moratuwa, Sri Lanka
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