Index

A

AMS driver, [1]

Atomic charges Atoms

B

Bond orders

C

Charge

Coordinates

E

Elastic tensor, [1]

G

GCMC (Grand Canonical Monte Carlo)

Geometry Geometry Optimization

H

Hessian

I

IRC (Intrinsic Reaction Coordinate)

Isotopes

L

Lattice Vectors

Linear Transit

M

Molecular Dynamics

Molecules detection

N

NEB (Nudged Elastic Band)

Nuclear Gradients / Forces

P

PES PES point character

PESScan (Potential Energy Surface Scan) Phonons Potential Energy Surface

S

Single Point

Stress tensor

T

Task	Thermodynamic properties Transition State Search

V

Vibrational Analysis

X

xyz