xtb4stda

Description

An extended tight-binding semi-empirical program package

More information

• Homepage: https://www.chemie.uni-bonn.de/pctc/mulliken-center/grimme/software/xtb

Availability

Module	NIC5	Hercules2	Dragon2	Lemaitre3	Dragon1
xtb4stda/1.0-intel-2021a				✓
xtb4stda/20210112-intel-2020b-64		✓
xtb4stda/20220519-intel-2021a-64		✓