« previous next »
Pages: [1]

Author Topic: TDDFT with B97-3c  (Read 2770 times)

luyj

  • Jr. Member
  • **
  • Posts: 11
  • Karma: +0/-0
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?
Logged
Pages: [1]
« previous next »