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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
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>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
Sun Aug 16 '15 9:14pm
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