[Pw_forum] pseudopotential

Paolo Giannozzi giannozz at democritos.it
Wed Jul 25 19:15:32 CEST 2012


On Jul 25, 2012, at 18:32 , Emine Kucukbenli wrote:

> for input_dft="vdW-DF2" use a revised-PW86 (the last commit on this
> was some 5h ago so i would use w caution.)

no need to be so cautious: today's commit was a correction to a comment

> And follow the modifications to Modules/funct.f90 file with care for
> addition of new vdW flavors :)

here:
http://qe-forge.org/scm/viewvc.php/trunk/espresso/Modules/funct.f90? 
root=q-e&view=log

P.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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