[Wien] ghostbands for fcc Ni

[Javad Hashemifar]

> I am trying to perform the calculation for fcc Ni presented in the UG.
> I get the magnetic moment presented in page 138 of the UG, but if a take a 
> look at the scf file I can see that at any iteration the following message 
> appears
> 
> QTL-B VALUE .EQ.    2.46913   !!!!!!
Hello Dr. Sergio
I think this value is quite low and does not indicate for any ghostband. It
seems that (based on UG) some values around a few 10.00 can be an indication
for the ghostbands.
Please look at the page 157,158 of UG for more explanation.
Regards,
Javad Hashemifar






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Javad Hashemifar                                      phone : ++49-30-8413 4804
Permanent : Physics Department, Isfahan University of Technology, Isfahan, Iran
Current : Fritz-Haber-Institut der MPG, Faradayweg 4-6, D-14195 Berlin, Germany
e-mails:  hashemi at fhi-berlin.mpg.de          &          hashemifar at ph.iut.ac.ir
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