CONTCAR ELPH

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Revision as of 16:14, 27 February 2025 by Mani (talk | contribs) (Add availability notice)

The CONTCAR_ELPH file contains the structural information of the primitive cell required for electron-phonon calculations using many-body perturbation theory.

Mind: Available as of VASP 6.5.1

This file has the same format as the CONTCAR or POSCAR file. It is typically generated alongside the phelel_params.hdf5 file by setting ELPH_POT_GENERATE = True. The CONTCAR_ELPH file can be renamed and used as the POSCAR input for a subsequent electron-phonon calculation in the primitive cell.

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