#!/usr/bin/env python3 import math from qpms.argproc import ArgParser ap = ArgParser(['rectlattice2d', 'single_particle', 'single_lMax', 'single_omega']) ap.add_argument("-k", '--kx-lim', nargs=2, type=float, required=True, help='k vector', metavar=('KX_MIN', 'KX_MAX')) # ap.add_argument("--kpi", action='store_true', help="Indicates that the k vector is given in natural units instead of SI, i.e. the arguments given by -k shall be automatically multiplied by pi / period (given by -p argument)") ap.add_argument("-o", "--output", type=str, required=False, help='output path (if not provided, will be generated automatically)') ap.add_argument("-N", type=int, default="151", help="Number of angles") ap.add_argument("-O", "--plot-out", type=str, required=False, help="path to plot output (optional)") ap.add_argument("-P", "--plot", action='store_true', help="if -p not given, plot to a default path") #ap.add_argument("-g", "--save-gradually", action='store_true', help="saves the partial result after computing each irrep") a=ap.parse_args() import logging logging.basicConfig(format='%(asctime)s %(message)s', level=logging.INFO) px, py = a.period particlestr = ("sph" if a.height is None else "cyl") + ("_r%gnm" % (a.radius*1e9)) if a.height is not None: particlestr += "_h%gnm" % (a.height * 1e9) defaultprefix = "%s_p%gnmx%gnm_m%s_n%g_angles(%g_%g)_Ey_f%geV_L%d_cn%d" % ( particlestr, px*1e9, py*1e9, str(a.material), a.refractive_index, a.kx_lim[0], a.kx_lim[1], a.eV, a.lMax, a.N) logging.info("Default file prefix: %s" % defaultprefix) import numpy as np import qpms import warnings from qpms.cybspec import BaseSpec from qpms.cytmatrices import CTMatrix, TMatrixGenerator from qpms.qpms_c import Particle, pgsl_ignore_error from qpms.cymaterials import EpsMu, EpsMuGenerator, LorentzDrudeModel, lorentz_drude from qpms.cycommon import DebugFlags, dbgmsg_enable from qpms import FinitePointGroup, ScatteringSystem, BesselType, eV, hbar eh = eV/hbar dbgmsg_enable(DebugFlags.INTEGRATION) a1 = ap.direct_basis[0] a2 = ap.direct_basis[1] #Particle positions orig_x = [0] orig_y = [0] orig_xy = np.stack(np.meshgrid(orig_x,orig_y),axis=-1) omega = ap.omega bspec = BaseSpec(lMax = a.lMax) # The parameters here should probably be changed (needs a better qpms_c.Particle implementation) pp = Particle(orig_xy[0][0], ap.tmgen, bspec=bspec) par = [pp] ss, ssw = ScatteringSystem.create(par, ap.background_emg, omega, latticebasis = ap.direct_basis) if ssw.wavenumber.imag != 0: warnings.warn("The background medium wavenumber has non-zero imaginary part. Don't expect meaningful results for cross sections.") wavenumber = ssw.wavenumber.real sinalpha_list = np.linspace(a.kx_lim[0],a.kx_lim[1],a.N) # Plane wave data E_cart_list = np.empty((a.N,3), dtype=complex) E_cart_list[:,:] = np.array((0,1,0))[None,:] k_cart_list = np.empty((a.N,3), dtype=float) k_cart_list[:,0] = sinalpha_list k_cart_list[:,1] = 0 k_cart_list[:,2] = np.sqrt(1-sinalpha_list**2) k_cart_list *= wavenumber σ_ext_list = np.empty((a.N,), dtype=float) σ_scat_list = np.empty((a.N,), dtype=float) with pgsl_ignore_error(15): # avoid gsl crashing on underflow for j in range(a.N): k_cart = k_cart_list[j] blochvector = (k_cart[0], k_cart[1], 0) # the following two could be calculated only once, but probably not a big deal LU = ssw.scatter_solver(k=blochvector) ã = ss.planewave_full(k_cart=k_cart, E_cart=E_cart_list[j]) Tã = ssw.apply_Tmatrices_full(ã) f = LU(Tã) σ_ext_list[j] = -np.vdot(ã, f).real/wavenumber**2 translation_matrix = ssw.translation_matrix_full(blochvector=blochvector) + np.eye(ss.fecv_size) σ_scat_list[j] = np.vdot(f,np.dot(translation_matrix, f)).real/wavenumber**2 σ_abs_list = σ_ext_list - σ_scat_list outfile = defaultprefix + ".npz" if a.output is None else a.output np.savez(outfile, meta=vars(a), sinalpha=sinalpha_list, k_cart = k_cart_list, E_cart=E_cart_list, σ_ext=σ_ext_list,σ_abs=σ_abs_list,σ_scat=σ_scat_list, omega=omega, wavenumber=wavenumber, unitcell_area=ss.unitcell_volume ) logging.info("Saved to %s" % outfile) if a.plot or (a.plot_out is not None): import matplotlib matplotlib.use('pdf') from matplotlib import pyplot as plt fig = plt.figure() ax = fig.add_subplot(111) ax.plot(sinalpha_list, σ_ext_list*1e12,label='$\sigma_\mathrm{ext}$') ax.plot(sinalpha_list, σ_scat_list*1e12, label='$\sigma_\mathrm{scat}$') ax.plot(sinalpha_list, σ_abs_list*1e12, label='$\sigma_\mathrm{abs}$') ax.legend() ax.set_xlabel('$\sin\\alpha$') ax.set_ylabel('$\sigma/\mathrm{\mu m^2}$') plotfile = defaultprefix + ".pdf" if a.plot_out is None else a.plot_out fig.savefig(plotfile) exit(0)