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ASAP User Manual
2026.1
Contents
About this manual
What’s New in Version 2026.1
Introduction
Getting started with ASAP
Quick Start Guide
Advanced Configuration and Remote Execution
ASAP basics
ASAP Workflows
Overview of ASAP Workflows
Single-point calculation
Molecular Dynamics
Geometry Optimization
Equation Of State (EOS)
Nudged Elastic Band (NEB)
Phonons
Vibrations
Optical response
Interaction energy
Interfacial energy tool (IET)
Convergence Tools: mesh cutoff
Convergence Tools: Brillouin Zone sampling
Local density of states (LDOS)
Transport
The atomic structure builder
Parameters
Calculators
The run widget
Analysis
Batch jobs
Release Notes
Legal information
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