[DFTB-Plus-User] DFTB+ Geometry Relaxation external socket
James A Charles
charlesj at purdue.edu
Tue Apr 17 03:24:24 CEST 2018
Hello,
I have been trying to relax ice crystals with DFTB+ and have tried the drivers included in DFTB+ without much luck. I was reading through the documentation and noticed Socket{} as a driver. What is the purpose of this? and is there an example of which external tools this works with?
Thanks,
James
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