[QE-users] vdw_corr

[Sabike Ghasemi]

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 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190101/5b804e9b/attachment.html>