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ElectronPhononCoupling
======================
ElectronPhononCoupling (EPC) is a python module
to analyze electron-phonon related quantities computed with Abinit.
Istallation
-----------
Issue
>$ python setup.py install
Requires
* numpy >= 1.8.1
* mpi4py >= 2.0.0
* netCDF4 >= 1.2.1
Building the netCDF4 dependency is sometimes delicate. On certain systems,
it might be necessary to set the CC environment variable to the same compiler
that was used to build python. E.g. CC=gcc
Usage
-----
Example:
import ElectronPhononCoupling as epc
epc.compute(
renormalization=True,
broadening=True,
self_energy=True,
spectral_function=True,
temperature=True,
...
You can run such python script in parallel with, e.g.:
mpirun -n 4 python myscript.py
Documentation
-------------
* For how to use this module, see the Examples directory.
* For the theory pertaining the electronic self-energy
due to electron-phonon coupling, and temperature dependence
of electronic structure, see [PRB 92, 085137 (2015)].
* For the advanced user and developer, see the Doc directory.
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