You may have a look at some lecture notes at www.wien2k.at (mainly Blaha_WIEN2k-getting_started.pdf)
Am 27.08.2012 15:03, schrieb yedu kondalu: > Dear all, > > So far, we are dealing with bulk material (crystalline solids) properties > such as electronic structure and optical properties using wien2k. > Now, we are trying to calculate same properties for thin films. As a first > step, we need to generate case.struct for the thin film. > > For this, we have searched in wien2k forum to do these kind of calculations, > we didn't find any tutorial type input for thin film structure file. > As a beginners, We need some basic guidelines to build the thin film > structure file. So, We are requesting some one to provide the preliminary > > details to do so. What are all the changes in structure file from bulk to > thin films ???/ > / > Thanks in advance > > Regards > KONDAL > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > -- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ --------------------------------------------------------------------------
