[Wien] wien problem

[Gavin Abo]

Is TlCl.in1c in your TlCl directory? If so, try removing it and 
unchecking complex calc again.

On 5/5/2013 6:53 AM, Rishi Singh wrote:
> Dear sir i am using wien_12.1. yes sir when i open the session i 
> changed the information and unchecked "complex calculation (no 
> inversion) and then i saved changes. but when again i open w2web and 
> select again the same even though it automatically selected with x dstart.
>
> sincerely yours
> rishi
>
> On Sun, May 5, 2013 at 6:15 PM, Gavin Abo <gsabo at crimson.ua.edu 
> <mailto:gsabo at crimson.ua.edu>> wrote:
>
>     What Wien2k version are your using? When you open the session, did
>     you click "Change session information", uncheck "complex
>     calculation (no inversion), then click "save changes"?
>
>
>     On 5/5/2013 6:25 AM, Rishi Singh wrote:
>
>         Dear WEIN users,
>
>          When I am doing the calculations for known compounds using
>         w2web first time for particular case of a session then i dont
>         select "complex calculations" option  from session management.
>         But when i again open it then it is automatically selected due
>         to which my previous calculations become effected and an error :
>
>          'DSTART' - can't open unit: 15
>
>          'DSTART' -        filename: TlCl.in2c
>          'DSTART' -          status: old          form: formatted
>
>         please tell the permanent solution of it.
>
>         kind regard
>         rishi
>

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