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TDDFT related error....

Siddheshwar Chopra
sidhusai@gmail.com


Dear Sir,
I am getting the following error in a TDDFT calculation.. Please tell me what has to be done.

MAXIMUM RESPONSE VECTOR ERROR= 2.846758E+45
MAXIMUM RESPONSE VECTOR ERROR= 2.812912E+46
MAXIMUM RESPONSE VECTOR ERROR= 2.779468E+47
MAXIMUM RESPONSE VECTOR ERROR= 2.746422E+48
MAXIMUM RESPONSE VECTOR ERROR= 2.713767E+49
MAXIMUM RESPONSE VECTOR ERROR= 2.681501E+50
.....   50 ITERATIONS CARRIED OUT    .....

FATAL: TOO MANY ITERATIONS IN CPHF!



Kind Regards,


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