emasses

Full name: ase2sprkkr.asr.emasses

Module class hierarchy

Inheritance diagram of ase2sprkkr.asr.emasses.Result

Description

Effective masses.

Functions

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])

Classes

Result()

Exceptions

NoGapError