[Wien] case.outputd file

Torsten Andersen thor at physik.uni-kl.de
Mon Apr 26 12:43:05 CEST 2004


Dear Dr. Ucgun,

you just have to make Rmt*Kmax smaller (case.in1(c)) or Gmax larger 
(case.in2(c)). You probably did not do anything wrong...

Best regards,
Torsten Andersen.

ercan uçgun wrote:
> Dear Wien2k users. 
> 
> I am trying to work on a molecule with 29 atoms within a unit cell. During the
> first initialization in case.outputd file, gmin was bigger than gmax. UG says
> that check if gmax>gmin. What was the wrong I might be done?
> 
> Thanks in advance.
> 
> --
> Dr. Ercan UCGUN
> Dumlupinar University
> Department of Physics
> Kutahya / TURKEY
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 

-- 
Dr. Torsten Andersen                     TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University, and
Condensed Matter Theory Group, Department of Physics, Uppsala University
Web: http://www.fysik4.fysik.uu.se/         http://www.physik.uni-kl.de/ 





More information about the Wien mailing list