Hi Peter under Tasks DOS is a new field OPTIONS in Edit case.in1 it does not recognize a complex case it searches for in1 and not for in1c the result for a complex case is
System Error Can't read file //home/someone/Wien2k/case/case.in1. Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: "I think the problem, to be quite honest with you, is that you have never actually known what the question is." ==================================== Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz ________________________________________ Von: wien-boun...@zeus.theochem.tuwien.ac.at [wien-boun...@zeus.theochem.tuwien.ac.at]" im Auftrag von "Peter Blaha [pbl...@theochem.tuwien.ac.at] Gesendet: Montag, 8. September 2014 15:12 An: A Mailing list for WIEN2k users Betreff: [Wien] WIEN2k_14 Dear wien2k users, After quite some struggle a new version, WIEN2k_14.1, has been released. It contains among others: - new versions of lapwso mpi-version, bug fixes), lapw0 (major changes and fixes, new XC-specification) lapw5 (new STM-mode) nmr w2web interface (batch-initialization as default, updated scf-switches, more optional steps in various "tasks". and many others -new packages: wien2wannier, BerryPI, IRelast -many new options and features: run(sp)_lapw -dftd3 -min save_lapw (saves now by default also input files) init_mbj (varios parametrizations), better scf-convergence of mBJ For a more detailed list of changes see: http://www.wien2k.at/reg_user/updates/ I strongly recommend to update. Please report any problems via the mailing list and I'll update quickly if I can confirm the problem. -- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: bl...@theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ -------------------------------------------------------------------------- _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html