[Wien] ghostband

shekoufe khosravi shekoufe.khosravi at gmail.com
Sat Dec 6 15:44:47 CET 2008


Dear all
I am trying to perform a calculation for isolated Co atom, but even using
-in1new option, I face with "ghost band" error. To overcome this problem I
used energy parameters same as similar calculation for Fe atom for which
there is no problem, but this trick also didn't change any thing. It should
be mentioned that this "Qtl-B" error appears after about 10 cycles. the
initial in1 file was attached.
Any suggestion is appreciated.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20081206/ed09bd57/attachment.html
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Co.in1
Type: application/octet-stream
Size: 329 bytes
Desc: not available
Url : http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20081206/ed09bd57/Co.obj


More information about the Wien mailing list