[Pw_forum] B3LYP+D

[Bahadır salmankurt]

Dear Anna
For any information about exchange-correlation functionals which can be
used with Espresso, please read Modules/funct.f90 in espresso file.
Bests

2016-05-10 19:44 GMT+03:00 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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-- 

Bahadır SALMANKURT
Ph.D. Candidate
Sakarya University, TURKEY
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