ELPH SELFEN CARRIER PER CELL

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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 for 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).

For example, ELPH_SELFEN_CARRIER_PER_CELL = 0.001 0.01 0.1 means that the number of electrons per cell NELECT = 18 will be increased by the specified values which will produce the following table in the Chemical potential calculation section in the OUTCAR file

                  Number of electrons per cell
                  ----------------------------
T=      0.00000000    18.00100000    18.01000000    18.10000000
T=    100.00000000    18.00100000    18.01000000    18.10000000
T=    200.00000000    18.00100000    18.01000000    18.10000000
T=    300.00000000    18.00100000    18.01000000    18.10000000
T=    400.00000000    18.00100000    18.01000000    18.10000000
T=    500.00000000    18.00100000    18.01000000    18.10000000
                  ----------------------------
                      Chemical potential
                  ----------------------------
T=      0.00000000     3.94721622     4.38382135     4.91829386
T=    100.00000000     3.94656996     4.38304274     4.91799255
T=    200.00000000     3.94463398     4.38100398     4.91688588
T=    300.00000000     3.94140548     4.37778815     4.91488514
T=    400.00000000     3.93688727     4.37341919     4.91204101
T=    500.00000000     3.93108216     4.36792102     4.90841405
                  ----------------------------

The number of elements in ELPH_SELFEN_CARRIER_PER_CELL will determine the number of columns in the tables above, while ELPH_SELFEN_TEMPS the number of rows.

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_PER_CELL tag. Alternatively, one can specify the chemical potential and determine the carrier concentration using ELPH_SELFEN_MU.