GVasp
v0.1.1

Contents

  • Preparation
  • Install
  • Setting Environment
  • Generate Vasp Inputs
    • Optimization
    • Charge Density
    • Work Function
    • Density of States
    • Frequency
    • Ab-initio Molecule Dynamics
    • STM image Modeling
    • Transition State Search
      • Constrained-TS Method
      • NEB method
      • Dimer Method
  • Output Visualize
  • Visualize Trajectory
  • Plot Interface
  • Align Structures
  • Charge Related

Module

  • GVasp package
GVasp
  • »
  • Generate Vasp Inputs »
  • Transition State Search
  • Edit on GitHub

Transition State Search

GVasp provide three options to search transition state (TS), namely as Constrained-TS, NEB and Dimer methods.

Contents:

  • Constrained-TS Method
  • NEB method
  • Dimer Method
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