DFTD3

Message

icymist · #1 Post by **icymist** » Mon May 21, 2012 3:52 pm

Are there any idea to implement DFTD3 in VASP? If so, when can one expect such an implementation.

In the meanwhile, has anyone else implemented DFTD3 corrections into VASP? If so, can they please help me with their code/implementation. I would be very glad to acknowledge them in any results that are published as an outcome of their help.

Regards,
Chaitanya

PS: Sorry for cross-posting. Didn't exactly know where this would fit in.

#2 Post by **admin** » Wed May 23, 2012 9:47 am

DFT-D3 is not implemented. An implementation exists in Grimme's group.