ganymede
ganymede1314520@gmail.com
I have some confusion about the analytic gradient techniques in FireFly. As far as I know, in the SCF energy calculation, FireFly can use g function gaussian basis and H projectors ECP, what about the analytic gradient calculation (like DFT and MCSCF calculations)? Is it as same as the SCF energy calculation?
Any comments? Thank you very much!