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README.md

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TDEP tutorials

Tutorials for the Temperature Dependent Effective Potentials code and method.

Contents

  • Preparations, file parsing, potentials energy surfaces for testing: here
  • Basic handling of the TDEP binaries: here
  • Self-consistent sampling with sTDEP: here
  • Phonon thermodynamics: here
  • Thermal conductivity: here
  • Spectral functions: here
  • Infrared spectroscopy: here
  • Raman spectroscopy: here