Package xtb

Semiempirical Extended Tight-Binding Program Package

https://github.com/grimme-lab/xtb/

The xtb program package developed by the Grimme group in Bonn.

Version: 6.4.1

General Commands

xtb performs semiempirical quantummechanical calculations, for version 6.0 and newer

Miscellanea

xcontrol instruction file for `xtb(1)` version 6.0 and newer