Hole mobility and hole scattering rate
Posted: Thu Jun 16, 2022 10:15 am
Dear developers,
I don't konw how to determine the "parameter of ncarrier" when calculating the hole carrier mobility in epw.in file, the default value is set as -1E13, the value applicable to all materials? or it be determined according to the specific material. For example, if a structure have 3 atoms in cell, along with 18 electrons in total, the value of ncarrier is equal to 18 electrons divide in area or volume? Besides that, I have set the parameters for calculating the scattering rate in the epw.in file, but there seems no relevent data in the epw.out file that can draw the image in the attachment. I want to know how to solve the problem, and the key parameters in the calculation are as follows.
scattering = .true.
scattering_serta = .true.
int_mob = .false.
carrier = .true.
ncarrier = -1E13
iterative_bte = .true.
epmatkqread = .false.
mob_maxiter = 300
wannierize = .false.
elecselfen = .false.
phonselfen = .false.
a2f = .false.
I don't konw how to determine the "parameter of ncarrier" when calculating the hole carrier mobility in epw.in file, the default value is set as -1E13, the value applicable to all materials? or it be determined according to the specific material. For example, if a structure have 3 atoms in cell, along with 18 electrons in total, the value of ncarrier is equal to 18 electrons divide in area or volume? Besides that, I have set the parameters for calculating the scattering rate in the epw.in file, but there seems no relevent data in the epw.out file that can draw the image in the attachment. I want to know how to solve the problem, and the key parameters in the calculation are as follows.
scattering = .true.
scattering_serta = .true.
int_mob = .false.
carrier = .true.
ncarrier = -1E13
iterative_bte = .true.
epmatkqread = .false.
mob_maxiter = 300
wannierize = .false.
elecselfen = .false.
phonselfen = .false.
a2f = .false.