[Wien] Input Files

[Kirsty Whinnery]

Thanks very much for this! Great help!

________________________________________
From: wien-bounces at zeus.theochem.tuwien.ac.at <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Peter Blaha <pblaha at 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 at 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: blaha at 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 at 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