Thanks very much for this! Great help! ________________________________________ From: wien-boun...@zeus.theochem.tuwien.ac.at <wien-boun...@zeus.theochem.tuwien.ac.at> on behalf of Peter Blaha <pbl...@theochem.tuwien.ac.at> Sent: 19 January 2016 16:51 To: A Mailing list for WIEN2k users Subject: Re: [Wien] Input Files
There is nothing you need to download. See UG 3.12 how to setup a case without w2web. basically: mkdir case cd case makestruct_lapw cp init.struct case.struct init_lapw run_lapw If you need input files for certain properties (DOS,...) themplates are in $WIENROOT/SRC_templates/case.in... On 01/19/2016 05:39 PM, Kirsty Whinnery wrote: > Hi all, > > > I am new to Wien and am trying to get used to the code. > > > In the manual there are references to a few examples (TiC etc) but I > cant find anywhere to download the required files. Could anyone point me > towards these files (or any generic input files for that matter)? It > would be greatly appreciated. > > > I don't currently have access to the w2web interface so will be > submitting jobs via command line, and as it stands I'm not entirely sure > of what input files are necessary. > > > Thanks in advance for your help, > > Kirsty > > > > _______________________________________________ > 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 > -- 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 WIEN2k: http://www.wien2k.at WWW: http://www.imc.tuwien.ac.at/staff/tc_group_e.php -------------------------------------------------------------------------- _______________________________________________ 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
