mirror of https://gitlab.com/QEF/q-e.git
Add a new input variable that controls the nb of
conduction carriers in the Ziman's conductivity formula.
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@ -29,7 +29,7 @@
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USE phcom, ONLY : nmodes
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USE cell_base, ONLY : omega
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USE epwcom, ONLY : degaussq, delta_qsmear, nqsmear, nqstep, nsmear, eps_acustic, &
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delta_smear, degaussw, fsthick
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delta_smear, degaussw, fsthick, nc
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USE elph2, ONLY : nqtotf, wf, wqf, lambda_all, lambda_v_all
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USE constants_epw, ONLY : ryd2mev, ryd2ev, kelvin2eV, two, zero, kelvin2Ry, pi
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USE mp, ONLY : mp_barrier, mp_sum
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@ -214,7 +214,7 @@
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! Usually this means "the number of electrons that contribute to the mobility" and so it is typically 8 (full shell)
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! but not always. You might want to check this.
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!
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n = 8.0 / omega
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n = nc / omega
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!print*,'omega ',omega
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WRITE (iures, '(a)') '# Temperature [K] Resistivity [micro Ohm cm] for different Phonon smearing (meV) '
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WRITE (iures, '("# ", 15f12.7)') ( (degaussq+(ismear-1)*delta_qsmear)*ryd2mev,ismear=1,nqsmear )
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@ -51,7 +51,7 @@
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cumulant, bnd_cum, proj, write_wfn, iswitch, ntempxx, &
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liso, lacon, lpade, etf_mem, epbwrite, &
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nsiter, conv_thr_racon, specfun_el, specfun_ph, &
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pwc, nswc, nswfc, nswi, &
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pwc, nswc, nswfc, nswi, nc, &
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nbndsub, nbndskip, system_2d, delta_approx, &
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title, int_mob, scissor, iterative_bte, scattering, &
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ncarrier, carrier, scattering_serta, restart, restart_freq, &
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@ -113,7 +113,7 @@
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wannierize, dis_win_max, dis_win_min, dis_froz_min, dis_froz_max, &
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num_iter, proj, bands_skipped, wdata, iprint, write_wfn, &
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wmin, wmax, nw, eps_acustic, a2f, nest_fn, plselfen, &
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elecselfen, phonselfen, use_ws, &
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elecselfen, phonselfen, use_ws, nc, &
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rand_q, rand_nq, rand_k, rand_nk, specfun_pl, &
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nqf1, nqf2, nqf3, nkf1, nkf2, nkf3, &
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mp_mesh_k, mp_mesh_q, filqf, filkf, ephwrite, &
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@ -290,6 +290,7 @@
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! use_ws : If .true., use the Wannier-center to create the Wigner-Seitz cell.
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! epmatkqread : If .true., restart an IBTE calculation from scattering written to files.
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! selecqread : If .true., restart from the selecq.fmt file
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! nc : Number of carrier for the Ziman resistivity formula (can be fractional)
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!
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! Added by Manos Kioupakis
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! omegamin : Photon energy minimum
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@ -488,6 +489,7 @@
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use_ws = .false.
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epmatkqread = .false.
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selecqread = .false.
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nc = 4.0d0
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!
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! reading the namelist inputepw
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!
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@ -148,6 +148,8 @@
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!! Value of the scissor shift in eV.
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REAL (KIND=DP) :: ncarrier
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!! Amount of carrier concentration in cm^-3 when doping a semiconductors
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REAL (KIND=DP) :: nc
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!! Number of carrier per unit cell that participate to the conduction in the Ziman resistivity formula
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!
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! Plasmon
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REAL (KIND=DP) :: nel
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