[Wannier] Initial guesses in projection block of .win file to generate Maximally localized wannier functions(MLWF)?

Soumyadeep soumyadeep at rrcat.gov.in
Mon Mar 4 05:45:52 CET 2019


Dear All,

    Is there any thumb rule to take initial guesses for defining 
projection block of wannier-90 input file which generates MLWF's? How 
could I ensure that generated WF's are maximally localized from *.wout 
file?

with best 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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