[Wien] QTL-B error
priya
priya at bose.res.in
Sat Aug 13 13:47:03 CEST 2005
Hi!
I get the QTL-B error in the first iteration. From the help* files I
identified the error as coming from the Mn d levels being found at -2.99 Ry. I
don't know what I should do as the Mn d levels are close to the fermi level in
the *.in1
file.
I attach the inst file and the struct file. Could someone help me out?
Thanks,
Priya
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