[Pw_forum] Using martyna-tuckerman with VdW functionals
ustc.scgyer at gmail.com
Tue Apr 1 17:23:00 CEST 2014
I have no experience of using assumu_isolate=martyna-tuckerman in the scf
calculation, but I am afraid that MT is not straightforward with a
non-local functional. Being not confident to use it blindly, I would like
to ask if anyone can give some comments, may I use MT with VdW as in the
case of LDA?
I appreciate your help very much.
Dr. Xiaochuan Ge (Giovanni)
Center for Functional Nanomaterials
Brookhaven national laboratory
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