[Pw_forum] PAW for vdw-DF2
florenceliu86 at gmail.com
Mon Sep 3 04:16:45 CEST 2012
I remenber that, it has been mentioned recently, that ld1.x is not able to
generate PAW/PP's for vdw-DFs. I am trying to perform a calculation with
vdw-DF2 which is made up as NOX-PW-RW86-VDW2. I thought that it might be
reasonable to use a PAW which is generated for a functional based on RW86,
is that right? I would try the setting dft='NOX-PW-PW96-(anything else?)'.
Does anybody can tell whether is settings is reasonable?
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