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 / [email protected] / 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
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