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PyProcar 6.2.1 documentation

Site Navigation

  • Getting started
  • User Guide
  • DFT Prep
  • Examples
  • API Reference
  • GitHub
  • Contributing
  • The Paper

Site Navigation

  • Getting started
  • User Guide
  • DFT Prep
  • Examples
  • API Reference
  • GitHub
  • Contributing
  • The Paper

Section Navigation

  • Band Structure
    • Autobands plotting
    • Comparing band structures
    • Plotting Atomic Levels
    • Plotting non colinear band structures in VASP
    • Plotting non colinear band structures in Quantum Espresso
    • Plotting Inverse participation ratio
    • Unfolding Band Structure
    • Plotting spin polarized band structures
    • Plotting band structure
    • Plotting with Configurations in pyprocar
    • Plotting 2D band structure
  • Density of States
    • Plotting non colinear dos in VASP
    • Plotting non colinear dos in Quantum Espresso
    • Plotting with Configurations in pyprocar
    • Plotting density of states
    • Plotting spin-polarized density of states
  • Bands and Dos plot
    • Plotting bandsdosplot
    • Plotting bandsdosplot
  • Fermi 2D
    • Plotting fermi2d noncolinear
    • Plotting fermi2d
    • Plotting with Configurations in pyprocar
    • Plotting rashba spin splitting
  • Fermi 3D
    • Plotting fermi3d spin_texture
    • Plotting fermi3d plain
    • Plotting fermi3d isoslider
    • Plotting fermi3d isovalue_gif
    • Plotting fermi3d spin-polarized
    • Showing how to get van alphen fequencies from the fermi surface
    • Plotting with Configurations in pyprocar
    • Plotting fermi3d cross_section
  • Other
    • Example of finding the bandgap
    • Example of kmesh_generator
    • Example of kpath_generator
    • Example of finding the bandgap
  • PyPoscar
    • Visualizing Clusters in Bi2Se3 Slab
    • Finding defects in a POSCAR file
    • Analyzing Radial Distribution Functions (RDF)
    • Substituting Atoms in a POSCAR File
    • Modifying a POSCAR File: Scaling, Supercells, and Defects
  • Examples
  • PyPoscar

PyPoscar#

These examples demonstrate the PyPoscar module

Visualizing Clusters in Bi2Se3 Slab

Visualizing Clusters in Bi2Se3 Slab

Finding defects in a POSCAR file

Finding defects in a POSCAR file

Analyzing Radial Distribution Functions (RDF)

Analyzing Radial Distribution Functions (RDF)

Substituting Atoms in a POSCAR File

Substituting Atoms in a POSCAR File

Modifying a POSCAR File: Scaling, Supercells, and Defects

Modifying a POSCAR File: Scaling, Supercells, and Defects

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Example of finding the bandgap

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Visualizing Clusters in Bi2Se3 Slab

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