ELPH SELFEN CARRIER DEN

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ELPH_SELFEN_CARRIER_PER_CELL = [real array]
Default: ELPH_SELFEN_CARRIER_PER_CELL = 0.0

Description: list of additional number of carriers at which to compute the electron-phonon self-energy and transport coefficients.

Each number of carriers specified in the array is added to the value of NELECT and the chemical potential computed for the list of temperatures specified by ELPH_SELFEN_TEMPS. A positive number adds electrons (electron doping), while a negative one removes (hole doping).

Instead of specifying the number of carriers, it is possible to specify an additional carrier density in units of ${m^{-3}}$ by using the ELPH_SELFEN_CARRIER_DEN tag. Alternatively, one can specify the chemical potential and determine the carrier concentration using ELPH_SELFEN_MU.

The information related to the chemical potential calculation can be found under the Chemical potential calculation section in the OUTCAR.