[Wien] Input Files

[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...



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
>
>
>
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-- 

                                       P.Blaha
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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
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