[Wien] no energy limits found for l=0

Saba Sabeti raskolnikof6028 at yahoo.com
Wed Jun 26 20:05:05 CEST 2013


Dear all users,
Greetings,
I would be so thankful if you guide me in solving my problem.

I have encountered to this error : FORTRAN STOP L2main- QTL-B, while running scf of a topological supercell considering SO coupling
I could remove it by reducing mixing factor from 0.2 to 0.1, while running the scf again, this time I encountered another error in cycle 4 that shows this one:
no energy limits found for l=0
Although this error also is removable via reducing RKmax from 9 to 8, since I need it to be 9, let me now if there is any other way to remove this error?
best regards
--Saba
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