[Wien] Fermi surface

Dear all I don't know if WIEN2k can give the Fermi surface? Thanks XW _ MSNMSN? http://im.live.cn/emoticons/?ID=6 -- next part -- An HTML attachment was scrubbed... URL:

[Wien] Run AFM as LSDA+U

I haven't run any AFM calculations, but for LDA+U you need both case.inorb and case.indm files (the same orbitals should be chosen in both files). So, either copy .indm (or .indmc) file from Src_templates and setup for your needs. Or you can do it via w2web. When you select LDA+U tick in the

[Wien] LO and lo in the WaveFunctions

Dear Prof. Blaha; According to the result of running for Silicon I've doubted in the correctness of some issues : I've extracted the radial wave functions and almblm from l2main.F as the following commands: !..for momentum program IF(MODUS.EQ.'ALM ') then ! WRITE(24,*)