[Wien] Stoner Parameter from calculation done by wien2k

2011-07-09 Thread Gerhard Fecher
: 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

[Wien] Stoner Parameter from calculation done by wien2k

2011-07-09 Thread shamik chakrabarti
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

[Wien] Stoner Parameter from calculation done by wien2k

2011-07-08 Thread 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