Author Topic: TDDFT with B97-3c  (Read 400 times)

luyj

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TDDFT with B97-3c
« on: June 12, 2020, 06:22:55 pm »
Dear users and admins,
I am trying to do a TDDFT calculation with the B97-3c functional but I get an error:
 Invalid value of nfun (                    33 ) in <gga_r2>!


Is it at the moment not possible to do TDDFT using that functional with TURBOMOLE?