[Wien] w2web
Travis Sefzik
tsefzik at chemistry.ohio-state.edu
Fri Jan 28 23:56:15 CET 2005
Hello WIEN mailing list,
I have solved my problem, we can close the case on this one.
Thank you much Dr. Cottenier (also, my apologies for misspelling your
name in the last email)
Thanks,
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
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