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Add support for electron-phonon calculations #828

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Add support for electron-phonon calculations #828

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Commits on Apr 15, 2023

  1. Add support for electron-phonon calculations 

    Make several changes in the plugins for `ph.x`, `q2r.x` and `matdyn.x` to provide
support for electron-phonon calculations:

* Adapt the `prepare_for_submission` scripts to allow remote copying of
the `elph_dir` for both plugins in case `la2F` is set to true.
* Add support to the `MatDynCalculation` plugin for setting `dos` to
true, and in this case converting the `kpoints` input to the `nkX`
tags instead of providing them as a list.
* For `matdyn.x` calculations where `dos` is true, parse the phonon DOS
instead of the phonon bands, and provide this as an output.
* For the `MatdynCalculation` plugin, providing the `parent_folder` input
currently only makes sense for electron-phonon calculations, so a
validator is added to check this. The remote copy/symlink list is also
overriden by the `elph_dir` to avoid adding it to the default `out`
directory of the `NamelistsCalculation`, which is typically no longer
required for the `matdyn.x` step.
    @mbercx
    mbercx committed Apr 15, 2023
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  2. Validate that INPUT namelist is in parameters

    @mbercx
    mbercx committed Apr 15, 2023
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