| 11:48:12 AM PDT - Sun, Jun 16th 2013 |
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Has anyone had difficulties using LC-BLYP for TD-DFT? I have been using LC-BLYP for an anionic dimer of C70, which converges easily for ground state DFT. However, it does not converge for TD-DFT. The same system converges quickly for TD-DFT if I use the B3LYP or PBE0 functionals, so it seems that there is something it doesn't like about LC-BLYP for the time-dependent calculations.
I am new to this and not sure where to start with figuring this out. Has anyone had similar difficulties?
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