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  • About
  • Releases
  • Documentation
  • Hands-on: Try EPWpy
  • Training and Workshops
    • Acknowledgements
    • Contact
    • Phonon-limited carrier mobility in semiconductors
    • Calculation of polarons
    • UV/Vis optical absorption spectrum of semiconductors
    • Calculation of electron-phonon matrix elements including quadrupoles from first principle
    • Temperature-dependent properties using the ZG method
    • Calculation of anisotropic superconductivity
    • Calculation of isotropic superconductivity
    • Anhramonic lattice Dynamics
    • Phase diagram from first principle calculation
    • Download and Install
    • GitLab
    • EPWpy
  • About
  • Releases
  • Documentation
  • Hands-on: Try EPWpy
  • Training and Workshops
  • Acknowledgements
  • Contact
  • Phonon-limited carrier mobility in semiconductors
  • Calculation of polarons
  • UV/Vis optical absorption spectrum of semiconductors
  • Calculation of electron-phonon matrix elements including quadrupoles from first principle
  • Temperature-dependent properties using the ZG method
  • Calculation of anisotropic superconductivity
  • Calculation of isotropic superconductivity
  • Anhramonic lattice Dynamics
  • Phase diagram from first principle calculation
  • Download and Install
  • GitLab
  • EPWpy

Table of Contents

PROJECT

  • About
  • Releases
  • Documentation
  • Hands-on: Try EPWpy
  • Training and Workshops
  • Acknowledgements
  • Contact

NOTEBOOKS:

  • Phonon-limited carrier mobility in semiconductors
  • Calculation of polarons
  • UV/Vis optical absorption spectrum of semiconductors
  • Calculation of electron-phonon matrix elements including quadrupoles from first principle
  • Temperature-dependent properties using the ZG method
  • Calculation of anisotropic superconductivity
  • Calculation of isotropic superconductivity
  • Anhramonic lattice Dynamics
  • Phase diagram from first principle calculation

SOURCE CODE

  • Download and Install
  • GitLab
  • EPWpy
    • EPWpy
      • EPWpy.Abinit
      • EPWpy.BGW
      • EPWpy.EPWpy
      • EPWpy.EPWpy_analysis
      • EPWpy.EPWpy_prepare
      • EPWpy.EPWpy_run
      • EPWpy.Logo
      • EPWpy.QE
        • EPWpy.QE.EPWpy_QE
        • EPWpy.QE.PH_util
        • EPWpy.QE.PW_util
        • EPWpy.QE.auto_wannier
          • auto_wann()
          • obj_func()
          • prepare_wann()
          • read_wann()
        • EPWpy.QE.band_util
        • EPWpy.QE.set_QE
        • EPWpy.QE.write_QE
      • EPWpy.default
      • EPWpy.error_handling
      • EPWpy.flow
      • EPWpy.plotting
      • EPWpy.structure
      • EPWpy.utilities

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  • EPWpy
  • EPWpy
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  • EPWpy.QE.auto_wannier

EPWpy.QE.auto_wannier#

Functions

auto_wann(file)

obj_func(x, band)

prepare_wann(x)

read_wann(file, num_wann)

EPWpy.QE.auto_wannier.auto_wann(file)[source]#
EPWpy.QE.auto_wannier.obj_func(x, band)[source]#
EPWpy.QE.auto_wannier.prepare_wann(x)[source]#
EPWpy.QE.auto_wannier.read_wann(file, num_wann)[source]#

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  • auto_wann()
  • obj_func()
  • prepare_wann()
  • read_wann()
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