[Wien] maximum number of inequivalent k-points in case.outputkgen
Martin Kroeker
martin at ruby.chemie.uni-freiburg.de
Tue Dec 27 19:03:06 CET 2016
To get around the error in xcrysden, you need to increase the NKP
parameter in the param.inc file that comes with the parts of SRC_spaghetti
included with xcrysden (xcrysden-1.5.60/F/SRC_spaghetti/param.inc) and
rebuild wn_readbands
--
Dr. Martin Kroeker martin at ruby.chemie.uni-freiburg.de
c/o Prof.Dr. Caroline Roehr
Institut fuer Anorganische und Analytische Chemie der Universitaet Freiburg
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