Add a new input variable that controls the nb of

conduction carriers in the Ziman's conductivity formula.
This commit is contained in:
Samuel Ponce 2019-08-01 16:13:37 +01:00
parent b8fbb75bf7
commit ba7f43b489
3 changed files with 8 additions and 4 deletions

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@ -29,7 +29,7 @@
USE phcom, ONLY : nmodes
USE cell_base, ONLY : omega
USE epwcom, ONLY : degaussq, delta_qsmear, nqsmear, nqstep, nsmear, eps_acustic, &
delta_smear, degaussw, fsthick
delta_smear, degaussw, fsthick, nc
USE elph2, ONLY : nqtotf, wf, wqf, lambda_all, lambda_v_all
USE constants_epw, ONLY : ryd2mev, ryd2ev, kelvin2eV, two, zero, kelvin2Ry, pi
USE mp, ONLY : mp_barrier, mp_sum
@ -214,7 +214,7 @@
! Usually this means "the number of electrons that contribute to the mobility" and so it is typically 8 (full shell)
! but not always. You might want to check this.
!
n = 8.0 / omega
n = nc / omega
!print*,'omega ',omega
WRITE (iures, '(a)') '# Temperature [K] Resistivity [micro Ohm cm] for different Phonon smearing (meV) '
WRITE (iures, '("# ", 15f12.7)') ( (degaussq+(ismear-1)*delta_qsmear)*ryd2mev,ismear=1,nqsmear )

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@ -51,7 +51,7 @@
cumulant, bnd_cum, proj, write_wfn, iswitch, ntempxx, &
liso, lacon, lpade, etf_mem, epbwrite, &
nsiter, conv_thr_racon, specfun_el, specfun_ph, &
pwc, nswc, nswfc, nswi, &
pwc, nswc, nswfc, nswi, nc, &
nbndsub, nbndskip, system_2d, delta_approx, &
title, int_mob, scissor, iterative_bte, scattering, &
ncarrier, carrier, scattering_serta, restart, restart_freq, &
@ -113,7 +113,7 @@
wannierize, dis_win_max, dis_win_min, dis_froz_min, dis_froz_max, &
num_iter, proj, bands_skipped, wdata, iprint, write_wfn, &
wmin, wmax, nw, eps_acustic, a2f, nest_fn, plselfen, &
elecselfen, phonselfen, use_ws, &
elecselfen, phonselfen, use_ws, nc, &
rand_q, rand_nq, rand_k, rand_nk, specfun_pl, &
nqf1, nqf2, nqf3, nkf1, nkf2, nkf3, &
mp_mesh_k, mp_mesh_q, filqf, filkf, ephwrite, &
@ -290,6 +290,7 @@
! use_ws : If .true., use the Wannier-center to create the Wigner-Seitz cell.
! epmatkqread : If .true., restart an IBTE calculation from scattering written to files.
! selecqread : If .true., restart from the selecq.fmt file
! nc : Number of carrier for the Ziman resistivity formula (can be fractional)
!
! Added by Manos Kioupakis
! omegamin : Photon energy minimum
@ -488,6 +489,7 @@
use_ws = .false.
epmatkqread = .false.
selecqread = .false.
nc = 4.0d0
!
! reading the namelist inputepw
!

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@ -148,6 +148,8 @@
!! Value of the scissor shift in eV.
REAL (KIND=DP) :: ncarrier
!! Amount of carrier concentration in cm^-3 when doping a semiconductors
REAL (KIND=DP) :: nc
!! Number of carrier per unit cell that participate to the conduction in the Ziman resistivity formula
!
! Plasmon
REAL (KIND=DP) :: nel