Dear Prof. Blaha and developers. I am using Wien2k 14.1 version. I need to calculate the optical absorption spectrum of a SPIN POLARIZED (sp) system with spin orbital (SO) coupling and hubbard-U. I finished a SCF calculation with sp,SO, and hubbard U.Now I want to calculate the absorption spectrum. I followed the userguide and continued with the given steps (pg 173). But it gave me errors. When I go trough the forum, I noticed some steps are changed. But I couldn't catch the correct way. I tried several suggestions, but all failed. Could you please let me know the correct way to follow for absorption spectrum for a system with SP, SO and Hubbard-U added. ? Thank you in advance. Chami
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
