ELPH_PREPARE

From VASP Wiki

ELPH_PREPARE = [logical]
Default: ELPH_PREPARE = .FALSE. 

Description: Writes the potential, the force-constants and other information related to electron-phonon interactions to the vaspout.h5 file.


In order to calculate electron-phonon interactions, one must first perform finite-difference calculations in the supercell and generate the phelel_params.hdf5 file. To do this using phelel, it is necessary to provide additional supercell information to phelel. This is accomplished by setting ELPH_PREPARE = True in each involved supercell calculation. Afterwards, phelel can be used to calculate the required derivatives and produce the phelel_params.hdf5 file. For further information on this workflow, please consult the online documentation of phelel.

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