[Wien] Convergence problem in mbj potential calculation

[shamik chakrabarti]

Dear wien2k users,

                      I am trying to simulate DOS of a semiconducting
material using mbj potential. It has run for 230 cycles now. Also, from
cycle 210 to 230 the charge & energy convergence remain stuck at a single
value. what should I do now?...should I change the mixing parameter or
should I just wait?

Any response in this regard will be helpful for us.

with regards,

-- 
Dr. Shamik Chakrabarti
Post Doctoral Research Associate
Dept. of Condensed Matter Physics and  Material Science
S N Bose National Centre for Basic Sciences
Kolkata-700098
INDIA
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