[Wien] how to find Stoner parameter using wien2k

2011-07-07 Thread Shamik Chakrabarti
Dear wien2k users, According to the Stoner band theory of magnetism, one can able to predict the magnetic ground state of the material as it is paramagnetic or ferromagnetic using product of the non magnetic density of states around the Fermi level (N(E)) and the Stoner parameter (I). As given in

[Wien] how to find Stoner parameter using wien2k

2011-07-07 Thread David Tompsett
Hi Shamik, Sayed's advice is good. There are also some procedures based on Fixed spin moment calculations. You will have to think carefully about whether your system is metallic or locaised type. The links in the appendix to this paper should help: Ylvisaker and Pickett, PHYSICAL REVIEW B 79,

[Wien] how to find Stoner parameter using wien2k

2011-07-06 Thread Seyed Javad Hashemifar
I have no experience on calculation of stoner parameter and interesting to learn it. However, by doing a simple spin polarized calculations with nonzero and parallel initial moments on your system, you may easily find whether your system prefers ferromagnetism or not. The initial magnetic moments