[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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