[Wien] problem in initso_lapw

susanta mohanta susanta.phy at gmail.com
Fri Nov 26 13:03:57 CET 2010


Dear Prof. Blaha and wien2k users

    We have noticed a problem on the latest version (10.1) of wien2k during
initso_lapw. If we set the case.inorb file for orbital polarization (nmod=2)
and
run initso_lapw, the kgen is making struct file to zero (completely blank),
while
in the older versions, there is no problem. Again initso_lapw in not running
through
w2web.

with sincere regards
susanta
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