Wien2k manual

04.01.2006 You should read the whole WIEN2k manual. The sections I refer to are all listed in the table of contents in chapters 5 through 8 of the case.klist_band for band structure calculation having R-3c Using the -in1ef switch for phonon calculations Curie temperature How to set the occupation number in Wien2k? Weitere Ergebnisse von zeus.theochem.tuwien.ac.at fileslib. At USTEM the Wien2k code based on the density functional theory is used for [. Modellrechnungen der auf Dichte-Funktional Theorie basierende Code Wien2k 05.09.2022 WIEN2k Computer Algebra for HPC For documentation, please consult the PLUMED Home page, where the PLUMED manuals are also available.
18.07.2013 Try to execute this same command manually (prior to exiting xcrysden, as exit deletes the /home/wien2k/xcrys_tmp/xc_24560/ directory) .
05.07.2022 WIEN2k: An Augmented Plane Wave plus Local Orbitals Program for Calculating Crystal Properties. Article CRYSTAL98--User's Manual.