def dos_map(args, newsystem, bfrange, enrange, cmap=None):
if args.nmax is not None and args.angle is not None:
if cmap is None:
cmap = DEFAULT_CMAP
if args.allden is not None and args.nos is not None:
den_slices = make_slices(args.allden, args.nos)
elif args.loadden is not None:
den_slices = read_den_from_csv(args.loadden)
else:
sys.stderr.write(
'The arguments -nmax and -angle and -allden and -nos are needed\n'
)
ax = make_canvas()
# data storage
y_databdl = []
y_tot = []
for den_slice in tqdm(den_slices):
newsystem.set_all_density(den_slice)
tot_den = newsystem.tot_density()
y_tot.append(tot_den)
# disable the band with zero density or below
idx_disabled = []
# if any band has a density <=0 then disable it
for idx, den in enumerate(den_slice):
if den <= 0:
newsystem.get_band(idx).disable()
idx_disabled.append(idx)
# calculate the chemical potential for the new system
mus = [
newsystem.mu(enrange, B, args.nmax, args.angle, [
SIGMA_COND if band.get('is_cond') else SIGMA_VAL
for band in newsystem.get_band('a')
], args.parity) for B in bfrange
]
# calculate the dos for each band at each chemical potential along the B field axis
to_append = [
sum([(1 if band.get('is_cond') else -1) * band.cal_dos(
mu_at_B, B, args.nmax, args.angle, SIGMA_COND
if band.get('is_cond') else SIGMA_VAL, args.parity)
for band in newsystem.get_band('a')])
for B, mu_at_B in zip(bfrange, mus)
]
y_databdl.append(to_append)
newsystem.databdl_write_csv(args.fnm, bfrange, to_append, 'dosm')
# enable the disabled band again for next loop
if idx_disabled:
for idx in idx_disabled:
newsystem.get_band(idx).enable()
make_2d_dos_map(bfrange, y_tot, y_databdl, cmap, ax=ax)
system_stamp_csv(args)
super_save(args.fnm, args.dir)
else:
sys.stderr.write('The arguments -nmax and -angle are needed\n')
def dos_at_mu(args, newsystem, bfrange, enrange, colors=None):
if args.nmax is not None and args.angle is not None:
if colors is None:
colors = make_n_colors(len(newsystem.get_band('a')), DEFAULT_CMAP,
DEFAULT_CMAP_VMIN, DEFAULT_CMAP_VMAX)
y_databdl = newsystem.ydata_gen(args.nmax, args.angle, bfrange,
enrange, 'dos', SIGMA_COND, SIGMA_VAL,
args.parity)
make_1d_dos_B_plot(bfrange, y_databdl, colors)
newsystem.databdl_write_csv(args.fnm, bfrange, y_databdl, 'dos')
system_stamp_csv(args)
super_save(args.fnm, args.dir)
else:
sys.stderr.write('The arguments -nmax and -angle are needed\n')
def denplot(args, newsystem, bfrange, enrange, colors=None):
if args.nmax is not None and args.angle is not None:
# bundle data from each Landau level originating from each band
y_databdl = newsystem.ydata_gen(args.nmax, args.angle, bfrange,
enrange, 'denplot', SIGMA_COND,
SIGMA_VAL, args.parity)
if colors is None:
colors = make_n_colors(len(newsystem.get_band('a')), DEFAULT_CMAP,
DEFAULT_CMAP_VMIN, DEFAULT_CMAP_VMAX)
tot_den = newsystem.tot_density()
make_1d_den_B_plots(bfrange, y_databdl, colors, tot_den)
newsystem.databdl_write_csv(args.fnm, bfrange, y_databdl, 'denplot')
system_stamp_csv(args)
super_save(args.fnm, args.dir)
else:
sys.stderr.write('The arguments -nmax and -angle are needed\n')
def enplot(args, newsystem, bfrange, enrange, colors=None):
if args.nmax is not None and args.angle is not None:
y_databdl = newsystem.ydata_gen(args.nmax, args.angle, bfrange,
enrange, 'enplot', SIGMA_COND,
SIGMA_VAL, args.parity)
if colors is None:
colors = make_n_colors(len(newsystem.get_band('a')), DEFAULT_CMAP,
DEFAULT_CMAP_VMIN, DEFAULT_CMAP_VMAX)
mu_pos = [
newsystem.mu(enrange, B, args.nmax, args.angle, [
SIGMA_COND if band.get('is_cond') else SIGMA_VAL
for band in newsystem.get_band('a')
], args.parity) for B in bfrange
]
ax = make_1d_E_B_plots(bfrange, y_databdl, colors, mu_pos)
newsystem.databdl_write_csv(args.fnm, bfrange, y_databdl, 'enplot')
super_save(args.fnm, args.dir)
system_stamp_csv(args)
else:
sys.stderr.write("The arguments -nmax and -angle are needed\n")
def draw(args, newsystem):
draw_band(newsystem)
super_save(args.fnm + '_bandsketch', os.path.join(DEFAULT_PATH, args.fnm))
def simu(args, newsystem, bfrange, enrange, colors=None):
if args.nmax is not None and args.angle is not None:
if args.allden is not None and args.nos is not None:
den_slices = make_slices(args.allden, args.nos)
elif args.loadden is not None:
den_slices = read_den_from_csv(args.loadden)
else:
sys.stderr.write(
'The arguments -nmax and -angle and -allden and -nos are needed\n'
)
tot_den_list = [sum(den_slice) for den_slice in den_slices]
tot_den_int = np.mean([
abs(tot_den_list[i] - tot_den_list[i + 1])
for i in range(len(tot_den_list) - 1)
])
ax = make_canvas()
if colors is None:
colors = make_n_colors(len(newsystem.get_band('a')), DEFAULT_CMAP,
DEFAULT_CMAP_VMIN, DEFAULT_CMAP_VMAX)
for den_slice in tqdm(den_slices):
# colors_p = color will only generate a new pointer to the same list
colors_p = [color for color in colors]
newsystem.set_all_density(den_slice)
tot_den = newsystem.tot_density()
IDOS = [
newsystem.dos_gen(enrange, B, args.nmax, args.angle, [
SIGMA_COND if band.get('is_cond') else SIGMA_VAL
for band in newsystem.get_band('a')
], args.parity) for B in bfrange
]
# disable the band with zero density
idx_disabled = []
# if any band has a density <=0 then disable it
for idx, den in enumerate(den_slice):
if den <= 0:
newsystem.get_band(idx).disable()
idx_disabled.append(idx)
colors_p[idx] = None
colors_p = [color for color in colors_p if color is not None]
y_databdl = [[[
np.interp(x=x, xp=enrange, fp=IDOS[index])
for index, x in enumerate(
band.cal_energy(bfrange, args.nmax, args.angle)
[f'#{N}'].tolist())
] for N in range(args.nmax)] for band in newsystem.get_band('a')]
plotrange = [
tot_den - 0.5 * tot_den_int, tot_den + 0.5 * tot_den_int
]
ax = make_1d_den_B_plots(bfrange,
y_databdl,
colors_p,
ax=ax,
plotrange=plotrange,
legend=False)
newsystem.databdl_write_csv(args.fnm,
bfrange,
y_databdl,
'simu',
plotrange=plotrange)
# enable the disabled band again for next loop
if idx_disabled:
for idx in idx_disabled:
newsystem.get_band(idx).enable()
system_stamp_csv(args)
super_save(args.fnm, args.dir)
else:
sys.stderr.write('The arguments -nmax and -angle are needed\n')