[Wannier] Reg. choice of kpoint grid in Wannier-90 code
Soumyadeep
soumyadeep at rrcat.gov.in
Wed Mar 20 13:09:06 CET 2019
Dear W90 experts,
How to choose kpoint grid for generating MLWF's?
In case of Quantum Espresso generally I run convergence test over a
large number of possibilities. But surprisingly that grid does not works
for Wannier-90 to generate MLWF's. Normally an equi-spaced grid like
12x12x12 is required instead of 16x16x6 QE grid for successful
compilation. How to choose these grids?
Thanks in advance.
with regards
Soumyadeep
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Soumyadeep Ghosh,
Senior Research Fellow,
Indus Synchrotrons Utilization Division,
Raja Ramanna Centre for Advanced Technology, Indore, India-452013
Mob: (+91)9424664553
User Lab: 0731244-2580
Email: soumyadeepghosh35 at gmail.com, soumyadeep at rrcat.gov.in
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