Hi, Has anybody used pwscf to estimate the Stoner parameter. I want do this simple test for my system. I start with the Palladium bulk, using the fixing moment calculation, and then get the difference of the total energy and the single particle energy as a function of the fixed moment, which is supposed to be magnetic energy, 0.25*I*M^2. So, we could get the Stoner parameter. The result I got is quite not reasonable. I would ask if this way is reasonable?
Thank you, Yang -- University of Nebraska at Lincoln -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090717/83cb01d5/attachment.htm
