[DFTB-Plus-User] xTB with XlbomdFast possible?

Bernd Goldfuss goldfuss at uni-koeln.de
Wed Oct 26 15:17:57 CEST 2022


Dear DFTB+ developers,

is the xTB hamiltonian in combination
with VelocityVerlet{} and XlbomdFast
possible?

Many thanks,
Bernd








More information about the DFTB-Plus-User mailing list