Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
BP86 and TDDFT CODE, Fractional Atomic Coordinates
I have two questions,
1. During calculation, I found the massage "BP86 DOES NOT YET HAVE TDDFT CODE PROGRAMMED". Is it due to the older version of Firefly being used by me or this Functional is not programmed yet?
2. Can we directly use the Fractional Atomic Coordinates in firefly input?
Mon Sep 23 '13 9:53am
This message read 774 times