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Quantum Espresso 6.1 and EPW 4.2 
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Joined: Wed Jan 13, 2016 7:25 pm
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University: Oxford
Post Quantum Espresso 6.1 and EPW 4.2
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

Cheers,

Samuel

_________________
Dr. Samuel Poncé
Department of Materials
University of Oxford
Parks Road
Oxford OX1 3PH, UK


Thu Mar 23, 2017 1:17 pm
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