It's in SRC_lapw0, the reanXX subroutines. fatemeh.mirjani schrieb: > Dear Prof. Blaha; > > Would you please guide me that can I find a subroutine for 3D Frourier > transform of the step functions in the source of Wien2k? > If yes, Where? > > I'm anxiously looking forward your reply. > With my best regards, > Fatemeh >
-- ----------------------------------------- Peter Blaha Inst. Materials Chemistry, TU Vienna Getreidemarkt 9, A-1060 Vienna, Austria Tel: +43-1-5880115671 Fax: +43-1-5880115698 email: pblaha at theochem.tuwien.ac.at -----------------------------------------
