[Wien] Stoner Parameter from calculation done by wien2k

[Gerhard Fecher]

Depends what you mean with "find"?
(1) No:    You will not find the Stoner parameter in one of the output files.
(2) YES:   You may write some own subroutine to calculate the Stoner parameter from a Wien calculation.
Some methods to calculate it are given in the textbook:
J. Kübler, Theory of itinerant electron magnetism, Oxford Science Publications 
(should be available as paperback).


Ciao
Gerhard

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "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

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