[Wien] case.klist not generated
Lyudmila Dobysheva
lyu at otf.pti.udm.ru
Tue May 24 07:33:17 CEST 2005
On Monday 23 May 2005 22:39, priya at physics.iitm.ac.in wrote:
> I attach the case.struct file and case.inst file for the system that I am
> studying. There is no warning and we find that the case.klist file is not
> being generated. Could someone help us and tell us where we are going
> wrong?
Make 100atomfix in the directory where your calculation is to be done. Your
struct file is in an old format. 100atomfix shoud make it correct.
Best wishes
Lyudmila Dobysheva
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