Resources

Software	Links
Libra	Website (Code and Installation)	Website (general description, tutorials, old installation)	Tutorials
DFTB+	Official website	Official manual (v20.2)	DFTB parameters	CompChem CyberTraining examples
CP2k	Official website	Input manual	CompChem CyberTraining examples
Quantum Espresso (QE)	Official website	Input parameters, PW.x	Pseudopotentials	CompChem CyberTraining examples
ErgoSCF	Official website	CompChem CyberTraining examples

Instructors, co-instructors, and credits

Name	Affiliation	Role and Software
Dr. Alexey Akimov	University at Buffalo (UB), USA	Workshop coordinator, Instructor for Libra, DFTB+, ErgoSCF, CP2k, etc.
Mr. Mohammad Shakiba	University at Buffalo (UB), USA	Workshop co-instructor for Libra/DFTB+, Libra/CP2k, Libra/xTB, etc.