Quantas
latest
Installation
Prerequisites
Installation
Release notes
Theoretical background
(Quasi-)Harmonic Approximation
Equation of State (EoS) fit
Analysis of elastic moduli
Analysis of the acoustic wave propagation in crystalline solids
Getting started
Command Line Interface (CLI)
Harmonic Approximation calculations
Options for Quasi-Harmonic Approximation calculations
Options for Equation of State fitting
Options for Second-order elastic constants analysis
Input files
Quantas input generator
Input for (Quasi-)Harmonic Approximation calculations
Input for Equation of State (EoS) fitting
Input for Second-Order Elastic Constants Analysis
Tutorials
(Quasi-)Harmonic Approximation tutorial
Equation of State (EoS) fitting tutorial
Second-Order Elastic Moduli Analysis tutorial
Seismic wave analysis tutorial
Quantas package
Modules
Basic classes
Harmonic Approximation
Quasi-Harmonic Approximation
Equation of State
Equation of State fitting class
P-V
EoS formulations
Elastic constants analysis
Volume-integrated Equation of State
Input files readers
Interfaces to
ab initio
codes
Measurement units conversion
Quantas
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Modules
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Equation of State
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Equation of State
¶
Equation of State fitting class
¶
P-V
EoS formulations
¶