: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at
zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;shamik chakrabarti
[shamikphy at gmail.com]
Gesendet: Freitag, 8. Juli 2011 17:08
Bis: A Mailing list for WIEN2k users
Betreff: [Wien] Stoner Parameter from calculation done by wien2k
chakrabarti [shamikphy at gmail.com]
Gesendet: Freitag, 8. Juli 2011 17:08
Bis: A Mailing list for WIEN2k users
Betreff: [Wien] Stoner Parameter from calculation done by wien2k
Dear wien2k users,
Whether a system favors magnetism or not, can be decided by
comparing the total energy
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
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