[DFTB-Plus-User] Van der Waals interaction
Mat Toliday
djlets2004 at yahoo.co.uk
Wed Feb 26 15:23:04 CET 2020
Hello,Dispersion interactions can be included. See 2.4.10 in the manual for more details. A version of the D3 method (arguably the standard method for DFT calculations) is available but you need to download and build it alongside DFTB. The deatils of how to do this are in the INSTALL.rst file.Yours,Mat
On Wednesday, 26 February 2020, 15:06:10 CET, khalfoun hafid via DFTB-Plus-User <dftb-plus-user at mailman.zfn.uni-bremen.de> wrote:
DearĀ UsersIs Van der Waals interaction implemented within DFTB+ ?
Hafid
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