[Wien] ERROR IN OPENING NN.DEF

[Martin Pieper]

Dear Vinit Sharma,

You write
>For using w2web is it necessary that your system must be connected
through internet.
>Or is there any other GUI is available to use Wien2k than w2web.

A minor extension to the comments of Stefaan, since I do have some
experience with running Wien2k on a PC not connected to the web. This
works just fine and as advertised in the manuals. At least it did so
with the now somewhat outdated version 4 of Wien2k and SuSE Linux 8.0.
The localhost loop is perfectly sufficient to run w2web locally, and I
don't expect that this has changed in later versions. Therefore I am
surprised by your statement. Maybe you misinterpeted some error message
(probably one related to the fact that you apparently did not follow the
name conventions in your Wien2k directory tree).


vinit sharma wrote:
>
> Â 
> Respected all Wien users,
> And thank you very much Prof. Uday for your kind suggestions.
>
> Sir, I had just joined the group and trying to use Wien2k_07. I am
> practicing on  TiC example. when I pressed ./nn
> Then results was
> please specify nn-bondlength factor: (usually=2)
> 2
>   ERROR IN OPENING NN.DEF !!!!
> NN.DEF
>
> And when [x nn] then
> please specify nn-bondlength factor: (usually=2)
> 2
>   ERROR IN OPENING UNIT:          20
>         FILENAME:
> Wien2k.struct
>     STATUS: old          FORM:formatted
> OPEN FAILED
> 0.000u 0.001s 0:04.28 0.0%      0+0k 0+0io 0pf+0w
> although both the TiC.struct and TiC.inst is in working directory.
> and the nn.def file which was not in the working directory, created
> and the massage in it was
> 66,'Wien2k.outputnn','unknown','formatted',0
> 67,'Wien2k.nnshells','unknown','formatted',0
> 20,'Wien2k.struct',  'old',    'formatted',0
> 21,'Wien2k.struct_nn','unknown','formatted',0
>
> Am I going right?
> my humble request is kindly provide me proper guidance.
> How to run SCF cycle and calculate other properties.
> One more query please.
> For using w2web is it necessary that your system must be connected
> through internet.
> Or is there any other GUI is available to use Wien2k than w2web.
>
> Waiting for your kind response.
>
> Vinit Sharma
>
> Compton profile lab,
> Dept. of Physics,
> M. L. Sukhadia University
> Udaipur (Raj.) INDIA
>
>
>
> canon
> <http://adworks.rediff.com/cgi-bin/AdWorks/click.cgi/www.rediff.com/signature-home.htm/1050715198@Middle5/1180343_1174311/1179447/1?PARTNER=3&OAS_QUERY=null%20target=new%20>
>
>
>------------------------------------------------------------------------
>
>_______________________________________________
>Wien mailing list
>Wien at zeus.theochem.tuwien.ac.at
>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>  


-- 
Dr. Martin Pieper
Institut f. Physik, 
Karl-Franzens Universität Graz
Universitätsplatz 5, A - 8010 Graz, AUSTRIA
Tel.: +43-316-380-8564, Fax: +43-316-380-9816,
email: martin.pieper at ifp.tuwien.ac.at