[Wien] zero DOS problem...

Aycan Yurtsever ay45 at cornell.edu
Tue Nov 16 20:36:01 CET 2004


hi WIEN users,
I have a problem with DOS calculation. My structure is a 64 atom unit cell 
with 63 Si and one P atom as an impurity.
SCF converges but gives the following warning message:  *WARNING** TOTAL 
ENERGY IN Ry = -37227.736296
The problem is when I plot the DOS, i get zero everywhere.
I know this kind of problem was posted before but it was not really 
answered. I will really appreciate your help.
(I attached .struct, .int and .qtl files)
thanks,aycan.
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