[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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