CCL RE: DFT functionals with varying amounts of HF exchange



Hello Heidi,
 Try this:
 IOp(3/76=0800002000)
 This will add 20% exact exchange.
 IOp(3/76=0750002500)
 This will add 25% exact exchange.
 Etc.
 Best regards, Gabor I. Csonka
 > -----Original Message-----
 >
 > I am trying to do some DFT calculations with the BLYP functional,
 > varying the amount of HF exchange using the Gaussian IOps.
 > According to the Gaussian 03 Users Reference, the the IOps 3/76, 3/77
 > and 3/78 are used for this. To quote the relevant section fron the Users
 > References:
 >