[Wien] Converged solution with PRATT

[shamik chakrabarti]

Dear Wien2k users & experts,

                              In the case of structural optimization
(volume or c/a etc) of some structures, I have encountered an error viz.,
"error in mixer". However, if I switched the scheme MSR1a in case.inm to
PRATT, it converges smoothly. Now my queries are;

(1) Is it proper to get a converged solution with PRATT i.e. it is not
leading to a local minimum?
(2) Should I always need to obtain the converged solution with MSR1a
instead of PRATT?..

Looking forward to your advice in this regard.

with regards,

-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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