[Wien] maximum number of inequivalent k-points in case.outputkgen

Martin Kroeker martin at ruby.chemie.uni-freiburg.de
Tue Dec 20 23:27:21 CET 2016


If you want to correct the display of the table you quoted, you need to
look for a FORMAT that also contains the parentheses around the
fractional coordinates in your example - I think a hot candidate is the
6010    FORMAT(1H ,I4,'(',3F10.6,')',I4,' (',3F10.6,')') 
in arbmsh.f - indeed this has I4 in both places that get filled with
stars as you go above 9999 k-points...
Hope this helps
Martin
-- 
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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