hi,
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 input_dft='nox+pw+hse+vdw' 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, -- Jos? C. Conesa Instituto de Cat?lisis y Petroleoqu?mica, CSIC Marie Curie 2, Cantoblanco, 28049 Madrid, Spain Telef. +34-915854766 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110212/1e879e8d/attachment.htm
