The new version of QE 6.4 and EPW 5.1 have been released. You can find information on how to install it at http://epw.org.uk/Main/DownloadAndInstall
New development in EPW 5.1 includes:
* Support for USPP
* Improvements to the cumulant spectral functions (computed with both convolution and FFT)
* New Wigner-Seitz cell construction
* Speed and memory optimizations for mobility calculations
* k-point symmetry support for homogeneous BTE
* Linear mixing with BTE
* Introduction of a "qwindow" to reduce the required number of q-points to be calculated
* Load balancing on active k-points among cores.
* Indirect absorption corrections while reading external eigenvalues
* Optimizations in the case of ultra-dense grids
* Exact velocity calculations with vme (read .bvec from new w90)
* Various modularization of the code.
* Removed input variables:
* New input variables:
- vme variable now working
Important notice: the examples in EPW/examples/ refer to the examples for the tutorials (see EPW website). Those examples are not always up to date as they are not tested automatically.
Therefore I strongly recommand to use the examples provide in the QE/test-suite/epw_*
Those examples are automatically tested and should therefore always be working with the current version and a benchmark reference is provided.
Known issue: There is a problem with the EPW/bin/pp.py to convert the dyn files from text to .xml.
Therefore if you make a phonon calculation with SOC, make sure to put .xml in the input of the phonon code like:
fildyn = 'si.dyn.xml',
This will force the phonon code to produce .xml files.
Happy EPWing !