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  • Theory and usage
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  • Index

Index

A | C | E | G | H | I | L | M | N | P | S | T | V | X

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

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