[Wien] Error in LAPW2DM
rahnama at hsu.ac.ir
rahnama at hsu.ac.ir
Mon Jul 6 12:05:45 CEST 2015
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150706/ef882f49/attachment.html>
More information about the Wien
mailing list