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Some confusion about the analytic gradient techniques in FireFly?,

ganymede
ganymede1314520@gmail.com


Dear ALl,

 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!


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