Quantum Espresso 6.1 and EPW 4.2

General discussion around the EPW software

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Quantum Espresso 6.1 and EPW 4.2

Post by sponce »

Dear all,

The new version of Quantum Espresso 6.1 and EPW 4.2 have been released.

You can find download and install instruction at http://epw.org.uk/Main/DownloadAndInstall.

New in QE 6.1 version:

* Hybrid functionals: Band parallelization over pair of bands, contributed
by Taylor Barnes et al, http://dx.doi.org/10.1016/j.cpc.2017.01.008
* Hybrid functionals: ACE is now the default
* Hybrid functionals with PAW now work
* Optimized tetrahedron method, contributed by Mitsuaki Kawamura, U. Tokyo

An extended list of changes specific to EPW is given at the bottom of http://epw.org.uk/Main/About.
Please note that some input variables have been removed (see the full list there).

Note that due to a change in the order of the symmetry matrix in PW, there is a small bug in the distributed version of EPW inside QE 6.1.
A patch is provided in the download page of EPW http://epw.org.uk/Main/DownloadAndInstall.

In addition, some of you might be interested in a new review on electron-phonon: http://journals.aps.org/rmp/abstract/10 ... .89.015003


Dr. Samuel Poncé
Institute of Materials
École Polytechnique Fédérale de Lausanne (EPFL)
Web: https://www.samuelponce.com

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