Index

A

AMS driver, [1]

Atoms

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

N

NEB (Nudged Elastic Band)

Nuclear gradients (forces)

P

PES PES point character PESScan (Potential Energy Surface Scan)

Phonons Point Charges Potential Energy Surface

S

Single Point

Stress tensor

T

Task	Thermodynamic properties Transition State Search

V

Vibrational Analysis

X

xyz