Dear Blaha in our implementation between Wien2k and wannier90 we have a question .
there are several ways for calculate the Alm(k) and Blm(k) those are the coefficient of the Apw wave function . one way is the method of the singh book page 45 and another is the method of the computational method in solid state physics of Nemoshkalenko page 202 and other way is in the steffen paper page 28 that there is in wien2k site .those ways are different!. which ways do you use in your code? thank you. -- -- ====================================== Mohammad Reza Rasoulian Computational Condensed Matter Research Lab Physics Department, Isfahan University of Technology, Iran Tel lab: +98 311 391 3731 Fax Office: +98311 391 3746 ------------------------------ -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20091006/f83717ed/attachment.htm>
