[Q-e-developers] write out electron-phonon matrix elements when NOT using wanner functions

Vigil-Fowler, Derek Derek.Vigil-Fowler at nrel.gov
Tue Oct 6 21:49:28 CEST 2015

Hi QE developers,
      My name is Derek Vigil-Fowler, a post-doc at the National Renewable Energy Laboratory (NREL) in the US and a former student in the group of Steven Louie at Berkeley.

       I am trying to do some validation of matrix elements output by the EPW code, so I would like to be able to write out the el-phonon matrix elements from QE. However, I would like to do so without using wannier functions. It seems one can only write out the electron-phonon matrix elements in QE if one is using wannier functions. It seems like it would be easy to write out the matrix elements when not using wannier functions at the end of elphel (write the elements of el_ph_mat). Can this option be properly implemented? Obviously, I can hack to code to do this, but I prefer a proper implementation. I think this is a feature many would like since wannier functions can take a while to generate in complex systems.

         Please let me know if such a development is possible.



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