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
Quantas
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Index
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Index
Symbols
|
B
|
E
|
H
|
I
|
M
|
P
|
Q
Symbols
--prefix
B
Basic classes
E
E-V Equation of State
Elastic constant class
environment variable
--prefix
PATH
PYTHONPATH
H
Harmonic Approximation
I
Input files readers
Interfaces
M
Measurement units conversion
module
quantas.ha
quantas.IO
quantas.qha
quantascli.core
quantascli.eos.ev_eos
P
P-V Equation of State
Q
quantas.ha
module
quantas.IO
module
quantas.qha
module
quantascli.core
module
quantascli.eos.ev_eos
module
Quasi-Harmonic Approximation