DFT+vdWsurf implementation

[agtonner]

I have seen some references to the DFT+vdWsurf being implemented in VASP e.g. doi:10.1021/jp309943k.

I could not find any referece in the manual though, so is it implemented in the official version?

I would be thankful for any clarification.

Best regards.
JNL

[agtonner]

By looking in the source code I found the option LTSSURF=True to be used with IVDW=2.

We want to publish results generated with this functional. Can someone verify that this is the right way to use it in VASP?

Thank you
JNL

[admin]

Yes, by switching on LTSSURF=.TRUE. and IVDW=2/20 surface parameters are used for transition metals
(according to Ruiz et al., PRB 93(2016)035118).
Parameters of other elements remain the same as in standard TS method.