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Installation

Prerequisites
Installation
Release notes
- Version 0.9.0

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

Quantas

»
Release notes
Edit on GitHub

Release notes¶

Version 0.9.0¶

28 January 2022: 0.9.0.

Initial release of Quantas (beta)

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© Copyright 2022, Gianfranco Ulian and Giovanni Valdrè. Revision 85e04797.

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