Dear all,<br>i have been looking through the file Modules/funct.f90 and i have found something which confuses me a little. <br>according to the file the vdw-df2 functional is "defined" as "sla+pw+rpb+vdw2". however the corresponding reference (Lee et al., Phys. Rev. B 82, 081101 (2010)) mentions that the the revPBE exchange is replaced by the PW86 exchange. Doesn't that mean that the vdw-df2 should rather be "nox+pw+rw86+vdw2" ? or am i totally wrong?<br>
<br>best wishes, <br><br>florence <br><br>TU Munich<br><br><br>