How do I specify the use of wB97X, wB97X-V, and wB97M functionals in NWChem?

[Tommy 77]

In general, I would appreciate if the developers would consider adding more examples about specifying many other functionals in addition to those already in the manual. And I see that an interface to use the libxc library was added in 2021, but where can I see how to specify it in the input file? My quick search on NWChem's manual page for "libxc" only turns up the article about how to install NWChem with libxc.

[Edoardo Aprà]

Here is the documentation section for the libxc input syntax

https://nwchemgit.github.io/Density-Functional-Theory-for-Molecules.html#libxc-interface-new-in-nwchem-720

This is the second entry from a libxc search at https://nwchemgit.github.io/Interfaces-with-External-Software.html?h=libxc#libxc

Only wb97x  (and wb97x-d3) is available from the NWChem built-in XC functionals.

Neither  wb97x-v nor wb97m-v can be used in NWChem (either from the built-in list or from the libxc interface) since a required component (vv10) has not been implemented yet.