diff --git a/EPW/src/a2f.f90 b/EPW/src/a2f.f90 index a12600198..d986e4e7b 100644 --- a/EPW/src/a2f.f90 +++ b/EPW/src/a2f.f90 @@ -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 ) diff --git a/EPW/src/epw_readin.f90 b/EPW/src/epw_readin.f90 index 40c360c71..f38a1f69b 100644 --- a/EPW/src/epw_readin.f90 +++ b/EPW/src/epw_readin.f90 @@ -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 ! diff --git a/EPW/src/epwcom.f90 b/EPW/src/epwcom.f90 index 45afac876..82e78e9db 100644 --- a/EPW/src/epwcom.f90 +++ b/EPW/src/epwcom.f90 @@ -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