[Pw_forum] B3LYP+D

[Paolo Giannozzi]

... B3LYP plus Grimme semiempirical dispersions? just guessing.

Paolo

2016-05-10 18:44 GMT+02:00 Giuseppe Mattioli <giuseppe.mattioli at ism.cnr.it>:

>
> Dear Anna
> What is B3LYP+D?
> Best
> Giuseppe
>
> Anna Maria Ferrari <anna.ferrari at unito.it> ha scritto:
>
> > dear all
> > i need to calculate TiO2 with B3lYP+D
> > where it is possible to find and example of input for this or any system?
> >
> > thanks in advance
> > anna
> >
> > <
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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