[Pw_forum] Density functional for Van der Walls interactions

[Lorenzo Paulatto]

In data 16 settembre 2009 alle ore 15:22:36, Devis Di Tommaso  
<ditommas at googlemail.com> ha scritto:
> If yes, where can I get more information on how to use this functional
> in the CP and PWSCF codes.

Dear Devis,
as far as I know for pw.x it is as easy as setting the following variables  
in the &system namelist:
        london      = .true.
        london_s6   = 0.75    ! this is the default
        london_rcut = 200.00  ! this is the default
the meaning of s6 and rcut should be accordingly to V. Barone et al. J.  
Comp. Chem., 30, 934 (2009).

I don't know if it is implemented in cp.x too.

best regards


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Lorenzo Paulatto
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