Seems not to be even close to the latest Version of Wien2k or did I miss an anouncement of Peter
More funny: "What is the question ?" Ciao Gerhard ==================================== Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz ________________________________________ Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Hajari Nejatii [hajar.nejatipoor at yahoo.com] Gesendet: Sonntag, 7. Februar 2010 07:30 An: Wien at zeus.theochem.tuwien.ac.at Betreff: [Wien] (no subject) I am running wien version 95 of wien2k. The purpose of my calculations is to get quantity lattice parameter 0f pyrite CH2(u-0.15). I am running this case (pyrite.struct) using this input :RKmax=6.5 , Gmax=26.0(in initialize) because with greater RKmax,I should have Gmax greater than 26.0 . I read usersguide and FAQ page, but I couldent solve my problem.
