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Re: FATAL: TOO MANY ITERATIONS IN CPKS!...In TDDFT

Alex Granovsky
gran@classic.chem.msu.su


On Wed Aug 12 '15 6:39am, Siddheshwar Chopra wrote
--------------------------------------------------
>Dear Users,
>I was running a TDDFT job and encountered this error:

> FATAL: TOO MANY ITERATIONS IN CPKS!

>And the program terminated abnormally. Please help.

>Regards,

Dear Siddheshwar,

the solution is to increase thrdii in $tddft group to 1000 or so.

Kind regards,
Alex Granovsky





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