[Wien] case.insp limit

[Michael Gurnett]

I have 35 atoms to choose from. Any combination (well atleast all the ones I 
tried) worked. Add one more atom to the list and I get the following error

Input/Output Error 169: Output file capacity exceeded

   In Procedure: main program
        At Line: 432

      Statement: Formatted WRITE
           Unit: Internal File
  Record Number: 1

End of diagnostics

2.114u 0.330s 0:02.58 94.5%	0+0k 0+0io 12pf+0w

I'm trying this just using the total switch, so my guess is that somewhere a 
limit is being reached.

Michael



----- Original Message ----- 
From: "Peter Blaha" <pblaha at zeus.theochem.tuwien.ac.at>
To: <wien at zeus.theochem.tuwien.ac.at>
Sent: Tuesday, April 12, 2005 7:57 PM
Subject: Re: [Wien] case.insp limit


> I'm not aware of this limit and don't think it exists.
> There is a limitation however, and this is that the "type" must be the
> same for all atoms (in other words you cannot presently add atom1 pz + px
> character).
>
>> A while ago Peter mentioned that it was possible to have a number of 
>> atoms in the Jatom list for character plotting.However, it seems to be 
>> limited to 3. I looked in the spaghetti.f file but was not able to see 
>> where this limit comes from. Is it possible that this limit be increased 
>> in the future, and also how do I change it myself
>>
>> Thanks
>> Michael
>> ----------------------------------------------------------------
>> Michael Gurnett
>> Dept. of Physics,
>> Inst. of Engineering Sciences, Physics and Mathematics,
>> Karlstad University,
>> S-651 88 Karlstad, SWEDEN
>> Tel. +46 54 700 2175, Fax. +46 54 700 1829,
>> Mobile phone +46 70 590 6495
>> E-mail: michael.gurnett at kau.se, WWW: http://www.ingvet.kau.se/fys/
>> -----------------------------------------------------------------
>>
>
>
>                                      P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at    WWW: 
> http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>