[Wien] w2web

[Travis Sefzik]

Stefann,

First, I want to thank you for your response - it seems that in 
previous attempts this question was avoided like the plague (probably 
due to my lack of specificity in the email).

I ran userconfig and have checked - both my .bashrc and .login have the 
appropriate aliases and variables included.
at the command line x nn does in fact work properly, as do all of the 
other wien keywords.

One other thought - when compiling was finished, i did have clear 
errors (which i always assumed i could neglect)

Any other thoughts?


Thank you so much,
Travis




On Jan 28, 2005, at 4:15 PM, Stefaan Cottenier wrote:

>
>> When I build my unit cell, i select a space group, put in unit cell 
>> parameters, and put in fractional coordinates.  When I save it does 
>> not produce the equivalent positions for me.  Also, when I try to use 
>> the interface to initialize/run calculations, it tells me that it 
>> cannot find the commands (specifically: " sh: line 12: x: command not 
>> found ").
>
> Did you run the userconfig script after installation of wien2k 
> (section 11.2.3 of the usersguide)?
>
> Can you run without problem from the command line? (test for instance 
> 'x nn', does it find x? If it does, your problem is in w2web. If it 
> doesn't, your problem is in the underlying installation of wien2k 
> itself, most likely the path etc. as set by the userconfig script)
>
> Stefaan
>
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---
Travis Sefzik
Grandinetti Group
Chemistry Department
The Ohio State University
100 W. 18th Ave.
Columbus, OH 43210

phone: (614) 292-8064
fax: (614) 292-0559
email: tsefzik at chemistry.ohio-state.edu