calculate_bs_along_emass_vecs(masses_dict, ...)
|
|
check_soc(spin_band_dict)
|
|
convert_key_to_tuple(key)
|
|
create_columns_fnames(row)
|
|
custom_table(values_dict, title)
|
|
em(kpts_kv, eps_k[, bandtype, ndim])
|
TODO: Do me. |
embands(gpw, soc, bandtype[, delta])
|
Effective masses for bands within delta of extrema. |
evalmodel(kpts_kv, c_p[, thirdorder])
|
|
fit(kpts_kv, eps_k[, thirdorder])
|
|
get_2nd_order_extremum(c[, ndim])
|
|
get_3rd_order_extremum(xm, ym, zm, c, ...[, ...])
|
|
get_bt_ks(bandtype, k1_c, k2_c)
|
|
get_emass_dict_from_row(row)
|
|
get_extremum_type(dxx, dyy, dzz, dxy, dxz, dyz)
|
|
get_gapskn(gpw[, fallback, soc])
|
|
get_name(soc, bt)
|
|
get_range(mass, _erange)
|
|
get_vb_cb_indices(e_skn, efermi, delta)
|
Find CB and VB within a distance of delta of the CB and VB extrema. |
kptsinsphere(cell_cv[, npoints, erange, m, ...])
|
|
make_the_plots(row, *args)
|
|
model(kpts_kv)
|
Calculate simple third order model. |
nonsc_sphere([gpw, fallback, soc, bandtype, ...])
|
Non sc calculation for kpts in a sphere around the VBM/CBM. |
preliminary_refine([gpw, soc, bandtype, ...])
|
|
set_default(settings)
|
|
unpack_masses(masses, soc, bt, results_dict)
|
|
webpanel(result, row, key_descriptions)
|
|
wideMAE(masses, bt, cell_cv[, erange])
|
|
