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. K?bler, 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
