TURBOMOLE Users Forum
TURBOMOLE Modules => Escf and Egrad => Topic started by: luyj on June 12, 2020, 06:22:55 PM
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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?