[Pw_forum] combining vdW-DF and hybrids?
CONESA CEGARRA, JOSE CARLOS
jcconesa at icp.csic.es
Sat Feb 12 13:46:26 CET 2011
I am doing some tests with the cvs version of Q-E. I wonder, could one combine the HSE06 functional (that refers only to exchange) with the vdw-DF correlation? I tried a line such as
but got a message of incompatibility of functionals.
Also, some question to the developers:
a) is there work for allowing soon the use of hybrid functionals with USPP or PAW potentials?
b) will the vdW-DF2 functional be available (with both ions and cell relaxation, if possible) in the 4.3 version?
All the best,
José C. Conesa
Instituto de Catálisis y Petroleoquímica, CSIC
Marie Curie 2, Cantoblanco, 28049 Madrid, Spain
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