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A complementary C code for YAMBO to compute electron-phonon coupling matrix elements with full crystal symmetries. Currently works only with Norm conserving pseudo potentials

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Please read docs/main.pdf for installing and usage. A simple example can be found in examples/qe/silicon folder

This code is currently under development. please use at your own risk.

Acknowledgments

Ludger Wirtz (Supervisor)
Fulvio Paleari (Testing and Yambopy interface)
University of Luxembourg (Funding)
HPC @ Uni.lu (Computing resources)

TODO

  1. Support XML format for dynamical matrices
  2. Work on suporting image parallelization of ph.x (preprocessor)
  3. Prepare automatic test cases
  4. Improve OPENMP
  5. Implement basic Acoustic sum rule
  6. Turn on different kernel options for the user
  7. Frohlich Interpolation
  8. DFT + U

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A complementary C code for YAMBO to compute electron-phonon coupling matrix elements with full crystal symmetries. Currently works only with Norm conserving pseudo potentials

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