Page 1 of 1

DFTD3

Posted: Mon May 21, 2012 3:52 pm
by icymist
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.

DFTD3

Posted: Wed May 23, 2012 9:47 am
by admin
DFT-D3 is not implemented. An implementation exists in Grimme's group.