[Wien] case.insp limit

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Tue Apr 12 19:57:38 CEST 2005


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/
--------------------------------------------------------------------------




More information about the Wien mailing list