[Pw_forum] rVV10 Functional

Ibrahim Yahaya Muhammad ibrahimyahayamuhammad at gmail.com
Tue Oct 24 13:27:48 CEST 2017

Dear all,
I want to run scf calculation for MoS2 using rVV10 vdw functional. For the
pseudopotential I want an ultrasoft pseudo that contain rvv10 functional. I
used pslibrary.1.0.0 to generate the pseudo and if I used
"sla+pw+rw86+pbc+vv10" = rVV10 according to Modules/funct.f90 of QE6.1, I
couldn't generate the pseudo. But if i used "sla+pw+rw86+pbc'' the pseudo
generated. Is this pseudopotential correct.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20171024/b2a28e39/attachment.html>

More information about the users mailing list