[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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