Dear users
I know i can extract Alm , Blm , U and Udot coefficients of the APW basis wave function for basis atom in each k point from Case.almblm and Case.radwf files. now I have a question about wave function. How can i extract the wave function of other atoms in unit cell ? should i multiply the coefficient to a phase factor ? thanks for your guide . best wishes. Mohammad -- -- ====================================== 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/20090817/1d9ce8f5/attachment.htm>