draw_band_fs 実行例
help出力 draw_band_fs.py --help
usage: draw_band_fs.py [-h] [--type {1dband,2dband,3dband,1dfs,2dfs,3dfs}]
[--mode {free,tb,nfe}] [--ef_fixed EF_FIXED]
[--nelec NELEC] [--spin SPIN] [--res RES]
[--ef_res EF_RES] [--v V] [--k_path_range KMIN KMAX]
[--E_range EMIN EMAX] [--E_ef_range EMIN EMAX] [--dos]
[--dos_nE DOS_NE] [--dos_sigma DOS_SIGMA]
[--kf_tol KF_TOL] [--kf_merge_tol KF_MERGE_TOL]
[--mstar] [--nx_view NX_VIEW] [--fs_band FS_BAND]
[--fs_alpha FS_ALPHA]
Toy band / DOS / EF(nelec from DOS integral) / kF / m*(k) and FS
(1dfs/2dfs/3dfs) simulator.
options:
-h, --help show this help message and exit
--type {1dband,2dband,3dband,1dfs,2dfs,3dfs}
Output type: band plots or Fermi surface plots.
--mode {free,tb,nfe} Model: free / tb / nfe (toy NFE Hamiltonian).
--ef_fixed EF_FIXED Fixed Fermi energy (EF). If set, skips DOS calculation
(nelec is ignored).
--nelec NELEC Electrons per unit cell (including spin). EF is
obtained from DOS integral (ignored if --ef_fixed is
set).
--spin SPIN Spin degeneracy factor (default 2).
--res RES Resolution for FS grids / band path segments.
--ef_res EF_RES BZ sampling resolution per axis for DOS/EF (cost grows
as ef_res^dim; ignored if --ef_fixed is set).
--v V Off-diagonal coupling strength in toy NFE Hamiltonian.
--k_path_range KMIN KMAX
kx range for 1D band/1D cut plots (internal unit).
--E_range EMIN EMAX Energy axis range for plotting (visual only).
--E_ef_range EMIN EMAX
Energy range used for DOS/EF calculation. Default:
auto from sampled energies. (ignored if --ef_fixed is
set).
--dos Also plot DOS (next to band). Requires DOS calculation
(--ef_fixed must be None).
--dos_nE DOS_NE Energy grid points for DOS.
--dos_sigma DOS_SIGMA
Gaussian broadening sigma for DOS (<=0 => histogram).
--kf_tol KF_TOL Tolerance for kF root finding.
--kf_merge_tol KF_MERGE_TOL
Merge tolerance for reduced kF lines (internal unit).
--mstar Overlay effective mass m*(k) on band plot (right
axis), clipped to [-5,5].
--nx_view NX_VIEW 2D FS periodic view range (internal unit).
--fs_band FS_BAND Band index used for FS isosurface/contour (default 0).
--fs_alpha FS_ALPHA Alpha for 3D FS surface.
生成されたデータファイル
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