[Wien] Stoner Parameter from calculation done by wien2k

[shamik chakrabarti]

Dear wien2k users,

 Whether a system favors magnetism or not, can be decided by
comparing the total energy of the unit cell for nonmagnetic and spin
polarize calculation. But if we do a nonmagnetic calculation of a system
which actually favors magnetism and then see the DOS at Fermi energy for
that system then also from stoner criteria we can conclude whether the
system favors magnetism or not. Our problem is not to find whether a system
will favor magnetism or not rather we want to extract Stoner Parameter (I)
from our calculation. It will be helpful for us for different reasons. Now
our query is

Is it possible to find Stoner Parameter from calculation done by
wien2k?If yes then how?

Any response in this regard will be very helpful for us.

with regards,

-- 
Shamik Chakrabarti
Research Scholar
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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[Wien] vacuum states in graphene slab calculations

[katrusiat]

Dear Wien2k community,

I perform slab calculations for the graphene single layers separated by ~ 10 A 
of vacuum.
In the bandstructure that comes out one sees a dense bunch of bands ~ 3 eV 
above the Fermi level which have parabolic behavior at the Gamma point.
Supposedly, these bands are the plane-wave states which describe the vast 
interstitial region.

My question is the following: If this interpretation of the dense bands above 
the Fermi level as plane-wave states is correct,
then these bands should be considered as artifacts of the Wien2k basis set. Can 
one get rid of them somehow?

Thanks!
Kateryna Foyevtsova