[QE-users] vdw_corr

Sabike Ghasemi s.ghasemi at du.ac.ir
Tue Jan 1 10:49:16 CET 2019

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 
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