[Wien] Fwd: Error in lapwdm in GGA+U approach‏

[mitra narimani]

Subject: Error in lapwdm in GGA+U approach‏
To: ‫wien at zeus.theochem.tuwien.ac.at‬



 Dear Gavin abo
Thank you for your reply
I run my calculations with  version 13.1 of wien2k and RmtKmax= 8.5,
Gmax=12.5, k-point=350. Please guid me about any change in files. My case.
inso is:

WFFIL

4 0 0 llmax,ipr,kpot

-10 1.5 Emin, Emax

0 0 1 h,k,l (direction of magnetization)

0 number of atoms with RLO

0 0 number of atoms without SO, atom numbers

please help about this problem. Thank you very much
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