ELPH_SELFEN_CARRIER_DEN_RANGE
ELPH_SELFEN_CARRIER_DEN_RANGE = [real array]
Description: List of the range of carrier density (in [math]\displaystyle{ cm^{-3} }[/math]) at which to compute the phonon-mediated electron self-energy and transport coefficients.
| Mind: Available as of VASP 6.5.2 |
From each carrier density specified in the array, a positive (electron doping) or negative (hole doping) number of electrons is added to the value of NELECT and the chemical potential computed. A range of carrier densities can be defined using ELPH_SELFEN_CARRIER_DEN_RANGE = l u n, where:
- l is the lower limit of the carrier density range.
- u is the upper limit of the carrier density range.
- n is the number of steps between the two limits.
| Important: When l or u is set to positive, electrons are added, i.e., n-doping. When l or u is set to negative, electrons are removed from (holes are added to) the system, i.e., p-doping. |
For example, ELPH_SELFEN_CARRIER_DEN_RANGE = -1e20 1e20 3 would create a list of 3 points producing densities of:
elph_selfen_carrier_den= -0.100E+21 -0.100E+41 -0.100E+61
This is not correct behavior. This tag should not yet be made public.