Did you also do point 1+2 of the faq page ?
Did you check the "Another possibility" of that page.
Did you see any changes. Is the error again in the 8th iteration ?
grep :DIS case.scf
Very often with the new mixer versions, ghostbands appear due to
"user-errors" or due to a special case where the energy parameters need
hand-tuning.
Buth without details, nobody can help.
On 06/28/2013 05:45 PM, ben amara imen wrote:
i'm working on ternary compound with spinel symmetry. When I do
runsp_lapw, the SCF failsafter 8 iterations wiith the following error:
*"L2main-QTL-B.GT.15 Ghostbands check scf files "*
**I read something about this error such as : The scf cycle fails after
a few iterations which gives some suggestions for this error :
http://www.wien2k.at/reg_user/faq/scf.html
I chose the suggestion number 4 : reduce the mixing parameter from 0.2
to 0.1 then restart the cycle with runsp_lapw but the error still !!!!!
can some help me please
best regards
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