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Re: TDDFT related error....

Alex Granovsky
gran@classic.chem.msu.su


Hello,

Add the following to your input file:

 $tddft THRDII=1000 $end

Kind regards,
Alex Granovsky



On Mon Aug 3 '15 6:52am, Siddheshwar Chopra wrote
-------------------------------------------------
>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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