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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
  • Repository
  • Open issue

Index

By M. Giantomassi and the AbiPy group

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