[Wien] (Problems of dstart (empty case.clmsum)

Mehmood, Faisal faisal at phys.ksu.edu
Fri Feb 3 15:59:18 CET 2006


> Could it be that you have the lattice parameters in Ang 
> instead of bohr in your case.struct file ?
That is not the problem, that was infact the last thing I tried to
change lattice parameters to Ang by hand but It did no solve the problem
ofcourse.
The actual papmetrs should be studies as
---------------------------
copd111
P   LATTICE,NONEQUIV.ATOMS: 33
MODE OF CALC=RELA unit=ang
 15.881971 10.587981 43.225250 90.000000 90.000000120.000000
---------------------
Can you please try with this and give some idea that what could be wrong
in dstart?
Thank you very much for replying.
Faisal 


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