[Wien] Spin polarization calculation of Pauli Paramagnet

[Viktor Zano]

Dear Wien2k users
Are Spin polarization (SP) calculations recommended to Pauli Paramagnet intermetalic compounds?
I Calculate the equilibrium volume using SP and non-SP calculations of such material, and the best results (compared with the experimental results) were using SP calculations.
Thanks, Victor



____________________________
Victor Y. Zenou
PhD student
Department of Materials Engineering 
BGU‎
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120221/90eb354d/attachment.htm>