[DFTB-Plus-User] Compile CFTB+ with DFT-D3 library

Danyang Wang wangd10 at mymail.vcu.edu
Sun Oct 4 00:51:17 CEST 2020


Dear users,

I’m new to DFTB+ and I used DFTB+ to do some calculation with DFT-D4. However, when I want to use DFT-D3, it tells me “program had been compiled without DFTD3 support” and I didn’t find how to compile with DFT-D3 library in manual. If anyone could offer some information, or an example of an input file which can be used to calculate with DFT-D3, I’ll be very appreciated.

Danyang Wang


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