The VASP Scripter AddOn
Introduction
The VASP Scripter AddOn
Tutorial
Version
12.8
Copyright © 2008–2012 QuantumWise A/S
Legal Notice
Table of Contents
Introduction
Configuring the VASP Scripter
Configuring the VASP Scripter
Starting the VASP Scripter
Configure the pseudopotential libraries
How to use the VASP Scripter
Overview
Setup
Selecting the task
General parameters
Onsite Coulomb interaction (Hubbard U model)
Element-specific settings
Accuracy
Electrons
Ions
Structural optimization
Molecular dynamics
Elastic bands
Properties
Generating the VASP input files
Feedback
Setting up a NEB simulation for VASP
Setting up the NEB object
Generating the VASP NEB input files
