[Wien] StructGen

[Dan Maftei]

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
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> Wien at zeus.theochem.tuwien.ac.at
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>
>   

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