[Wien] StructGen

Dr. Igor Chaplygin Igor.Chaplygin at chemie.tu-dresden.de
Wed Jul 2 13:20:42 CEST 2008


Dear Dr. Maftei,

I followed your advise ("create an empty file  ... by issuing a command "touch 
TiC.struct") and surprisingly it did help. Thank you very much! 

What is known about the "unknown reason"?

Best regards.
Igor Chaplygin 

On Wednesday 02 July 2008 11:30, Dan Maftei wrote:
> Dear Dr. Chaplygin,
>
> For an unknown reason, in some cases w2web StructGen(TM) doesn't
> generate a template structure as requested. I haven't notice that so far.
>
> As a workaround, you may create an empty file in your working directory
> (namely TiC) by issuing a command "touch TiC.struct" (either in terminal
> or in the w2web provided "command line"). You'll end up with an empty
> structure which can be edited further using StructGen (use "edit  STRUCT
> file").
>
> Regards,
> Dan Maftei.
>
> Dr. Igor Chaplygin wrote:
> > Dear Wien2k users,
> >
> > I am just starting using Wien2k and have immediately after installation
> > of the program encountered a problem. Namely StructGen does not work.
> > After execution of the corresponding w2web menu item a message:
> >
> > "StructGenTM
> > You do not have a TiC.struct file yet.
> >
> > You can create it using STRUCTGEN. Please specify the number of
> > independent atoms of your initial structure!"
> >
> > appears. After pressing "Generate template" nothing happens. No error
> > message appears as well. I would appreciate any hint.
> >
> > Best regards
> > Igor
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien


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