[Wien] isolated atomic calculation

[Javad Hashemifar]

Dear Wien users,
To calculate the isolated atomic energy of an element, in Wien2k homepage it
has been mentioned that a large fcc unitcell with one kpoint should be used.
But for Si it seems that with one kpoint the system can not be converged so I
have used a 2x2x2 mesh to can converge the system and the obtained cohesive
energy agree very well with experiment. Does it physically possible to use more
than one kpoint for isolated atomic calculation?
Also for Cobalt I can not converge the system of isolated atom even by
increasing the number of kpoints to a mesh of 6x6x6. I will appreciate if any
body give me some advise for calculating the isolated atomic energy of cobalt.

Best 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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