[Wien] question

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.ac.be
Mon Sep 13 08:00:53 CEST 2004


>     I want to calculte the DOS of HgS with cinnabar structure. I set
> the case.int as follows:
>  Title
>  -1.50 0.002 0.500 0.003   EMIN, DE, EMAX, Gauss-broadening(>;de)
>     23                     NUMBER OF DOS-CASES specified below

>  When I run the x tetra, the system told me" mg too small". What the
> meaning of the message,and How can I solve it?

Don't know whether this will solve your problem, but to start with 
tetra can calculate at most 21 cases. You have 23. If you want more 
than 21 cases, save the case.dos1/2/3/* to different names and run 
tetra again with the remaining 2 cases.

Stefaan




More information about the Wien mailing list