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Fix finiterectlat-modes.py obvious errors. 

Former-commit-id: a538ed6c3c84cebffccd41272994027039e46b57
This commit is contained in:
Marek Nečada 2020-01-30 02:03:43 +02:00
parent b4381bd13d
commit acc08f8863
1 changed files with 10 additions and 3 deletions
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13
misc/finiterectlat-modes.py
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@ -20,7 +20,7 @@ ap.add_argument("--ai", type=float, default=0.05, help="Contour imaginary half-a
ap.add_argument("--ar", type=float, default=0.05, help="Contour real half-axis in eV") ap.add_argument("--ar", type=float, default=0.05, help="Contour real half-axis in eV")
ap.add_argument("-N", type=int, default="150", help="Integration contour discretisation size") ap.add_argument("-N", type=int, default="150", help="Integration contour discretisation size")
ap.add_argument("--irrep", type=str, nargs=1, default="none", help="Irrep subspace (irrep index from 0 to 7, irrep label, or 'none' for no irrep decomposition") ap.add_argument("--irrep", type=str, default="none", help="Irrep subspace (irrep index from 0 to 7, irrep label, or 'none' for no irrep decomposition")
a=ap.parse_args() a=ap.parse_args()
@ -37,6 +37,13 @@ defaultprefix = "%s_p%gnmx%gnm_%dx%d_m%s_n%g_L%d_c(%s±%g±%gj)eV_cn%d" % (
str(a.centre), a.ai, a.ar, a.N) str(a.centre), a.ai, a.ar, a.N)
logging.info("Default file prefix: %s" % defaultprefix) logging.info("Default file prefix: %s" % defaultprefix)
def inside_ellipse(point_xy, centre_xy, halfaxes_xy):
x = point_xy[0] - centre_xy[0]
y = point_xy[1] - centre_xy[1]
ax = halfaxes_xy[0]
ay = halfaxes_xy[1]
return ((x/ax)**2 + (y/ay)**2) <= 1
import numpy as np import numpy as np
import qpms import qpms
@ -75,7 +82,7 @@ else:
iri = int(a.irrep) iri = int(a.irrep)
except ValueError: except ValueError:
iri = ss.irrep_names.index(a.irrep) iri = ss.irrep_names.index(a.irrep)
irname = ss.irrep_names(iri) irname = ss.irrep_names[iri]
logging.info("Using irrep subspace %s (iri = %d) of dimension %d." % (irname, iri, ss.saecv_sizes[iri])) logging.info("Using irrep subspace %s (iri = %d) of dimension %d." % (irname, iri, ss.saecv_sizes[iri]))
outfile_tmp = defaultprefix + ".tmp" if a.output is None else a.output + ".tmp" outfile_tmp = defaultprefix + ".tmp" if a.output is None else a.output + ".tmp"
@ -83,7 +90,7 @@ outfile_tmp = defaultprefix + ".tmp" if a.output is None else a.output + ".tmp"
logging.info("Starting Beyn's algorithm") logging.info("Starting Beyn's algorithm")
results = ss.find_modes(iri=iri, omega_centre = a.centre*eh, omega_rr=a.ar*eh, omega_ri=a.ai*eh, contour_points=a.N, results = ss.find_modes(iri=iri, omega_centre = a.centre*eh, omega_rr=a.ar*eh, omega_ri=a.ai*eh, contour_points=a.N,
rank_tol=a.rank_tolerance, rank_min_sel=a.min_candidates, res_tol=a.residual_tolerance) rank_tol=a.rank_tolerance, rank_min_sel=a.min_candidates, res_tol=a.residual_tolerance)
results['inside_contour'] = inside_ellipse((results['eigval'].real, results['eigval'].imag) results['inside_contour'] = inside_ellipse((results['eigval'].real, results['eigval'].imag),
(a.centre.real*eh, a.centre.imag*eh), (a.ar*eh, a.ai*eh)) (a.centre.real*eh, a.centre.imag*eh), (a.ar*eh, a.ai*eh))
results['refractive_index_internal'] = [medium(om).n for om in results['eigval']] results['refractive_index_internal'] = [medium(om).n for om in results['eigval']]