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AbiPy Book - Home AbiPy Book - Home
  • Introduction

Basic AbiPy Objects

  • Structure object
  • AbinitInput object
  • Factory functions

Output Files

  • The GSR file (Ground-State)
  • The HIST.nc file (relaxation/MD)
  • The FATBANDS.nc file
  • The DDB file (DFPT)
  • The SIGRES file (GW)
  • The MDF file (Bethe-Salpeter)
  • The ABIWAN file (wannier90)
  • Lobster output files

AbiPy Workflows

  • Tasks, Workflows and Flow

AbiPy Lessons

  • Base1 lesson (H2 molecule)
  • Base3 lesson (silicon)
  • Phonons and Born effective charges
  • Elastic and piezoelectric properties with Abinit and AbiPy
  • \(G_0W_0\) band structure with star-function interpolation
  • Bethe-Salpeter calculations with AbiPy
  • Isotropic superconductivity

Miscellaneous

  • Useful links
  • Binder logo Binder
  • Repository
  • Suggest edit
  • Open issue
  • .ipynb
  • .md

Useful links

Contents

  • ABINIT
  • Python programming
  • Ipython Notebooks
  • Useful Python distributions/packages/tools
  • Miscellaneous
  • Interesting notebooks
  • Articles

Useful links#

ABINIT#

  • ABINIT Tutorials

  • ABINIT Forum

  • PseudoDojo: Tables of pseudopotentials

Python programming#

  • Python for Beginners

  • The Python tutorial

  • DiveIntoPython3

Ipython Notebooks#

  • Introducing IPython Notebook

  • Shortcuts and helpful tips for working in IPython

  • Introduction to Python Programming

Useful Python distributions/packages/tools#

  • Anaconda Free Python distribution for large-scale data processing, predictive analytics, and scientific computing

  • IPython Powerful interactive shells and much more…

  • Numpy Fundamental package for scientific computing (arrays, linear algebra, Fourier transform, and random number capabilities)

  • Scipy Software for mathematics, science, and engineering

  • Pandas Easy-to-use data structures and data analysis tools

  • Sympy Python library for symbolic mathematics

  • Matplotlib python plotting library

Miscellaneous#

  • Design Patterns

Interesting notebooks#

  • A gallery of interesting Jupyter Notebooks

  • Scientific-Computing-with-Python

  • matplotlib - 2D and 3D plotting in Python

  • Introducing IPython

  • Pandas cookbook: Chapter 1 Reading from CVS

Articles#

  • Interactive notebooks: Sharing the code

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Isotropic superconductivity

Contents
  • ABINIT
  • Python programming
  • Ipython Notebooks
  • Useful Python distributions/packages/tools
  • Miscellaneous
  • Interesting notebooks
  • Articles

By M. Giantomassi and the AbiPy group

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