[QE-users] vdw_corr

[Ari P Seitsonen]

Dear Sabike,

   What do you mean with "result does not change"? What do you try to 
calculate? Can you provide your input file on this forum?

     Greetings & Happy 2019 from Paris,

        apsi

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   Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
     Ecole Normale Supérieure (ENS), Département de Chimie, Paris
     Mobile (F) : +33 789 37 24 25    (CH) : +41 79 71 90 935


On Tue, 1 Jan 2019, Sabike Ghasemi wrote:

> hi all,
> i want to apply van der waals correction to bulk water. i use  vdw_corr = "Grimme-D3", dftd3_version =
> 3, dftd3_threebody = .TRUE. in &system.
> 
> but result don't change with and without vanderwals.
> do everybody help me?
> 
> 
> 
> 
> best regards,
> sabike ghasemi
> phd student, damghan university, Iran
> 
>