Re: [Wien] Input Files

2016-01-20 Thread Kirsty Whinnery
Thanks very much for this! Great help! From: wien-boun...@zeus.theochem.tuwien.ac.at on behalf of Peter Blaha 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

Re: [Wien] Input Files

2016-01-19 Thread Peter Blaha
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... O

Re: [Wien] Input Files

2016-01-19 Thread Laurence Marks
The init_lapw command sets things up via the command line. As a beginner the web interface is bette. On Tue, Jan 19, 2016 at 10:39 AM, 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 et

[Wien] Input Files

2016-01-19 Thread Kirsty Whinnery
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