[Q-e-developers] New exchange functional for vdW-DF

[Ikutaro Hamada]

Dear developers,

Please find modified subroutines (Modules/funct.f90 and flib/functionals.f90 of Quantum ESPRESSO v5.0.2) below

https://dl.dropboxusercontent.com/u/5355382/func-b86r.tar.gz

in which optB86b-vdW [Phys. Rev. B 83, 195131 (2011)] and rev-vdW-DF2 [Phys. Rev. B 89, 121103 (2014)] are newly added.

I hope the new exchange is incorporated into the distribute and used by many people.

Best regards,

Ikutaro Hamada