[Wien] ERROR IN OPENING NN.DEF

[Stefaan Cottenier]

You should really spend more time reading the usersguide carefully  
before turning to the mailing list... As a beginner, give yourself a  
couple of weeks (!) time to study the manuals.

About your nn problem: your *.struct file should always have the name  
of the directory (the usersguide told you that). You have a file  
TiC.struct but you work in the directory Wien2k. Either you should  
rename TiC.struct to Wien2k.struct, or you should make a directory TiC  
where you put TiC.struct. Or you make a directory with any name  
('first-exercise') and copy TiC.struct there and rename it  
('first-exercise.struct').

About w2web and internet connection: I never tried to use w2web on a  
computer not connected to the internet (would be hard to find). Either  
this is not foreseen, or it should be possible to fake an internet  
connection (all information is locally available anyway). Perhaps  
somebody else will clarify this point.

Stefaan



Quoting vinit sharma <vinits31 at rediffmail.com>:

>  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



-- 
Stefaan Cottenier
Instituut voor Kern- en Stralingsfysica
K.U.Leuven
Celestijnenlaan 200 D
B-3001 Leuven (Belgium)

tel: + 32 16 32 71 45
fax: + 32 16 32 79 85
e-mail: stefaan.cottenier at fys.kuleuven.be


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