Did you apply the source code fix to symmetso's clmchange.f of WIEN2k
14.2 and accept the new structure generated by symmetso during initso [
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12523.html
]?
There is clmchange.f at:
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12361.html
or you might be interested in using clmchange.patch instead at:
https://github.com/gsabo/WIEN2k-Patches/tree/master/14.2
(click "WIEN2k-Patches" link, then "Download ZIP" button)
On 7/6/2015 4:05 AM, rahn...@hsu.ac.ir wrote:
Dear Wien2k users,
I tried to run GGA+U calculation with structure of EuFe4Sb12. I am having
problem at the lapwdm step when both -so and -orb are turned on(Error in
LAPW2DM). Also,There is not any errors if I run with only the -orb option (no
spin-orbit coupling)or visa versa.
Your guidance to solve this problem will be greatly appreciated.
Yours,
Hossein
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