EPWpy.plotting.plot_wannier_matplotlib#

Functions

plot_isosurfaces_matplotlib(Data[, view])

Plot two isosurfaces (positive at +pos_iso_frac*max, and negative at -neg_iso_frac*max) plus atoms and connections, using matplotlib 3D.
EPWpy.plotting.plot_wannier_matplotlib.plot_isosurfaces_matplotlib(Data, view={'atom_size_factor': 200.0, 'grid': False, 'neg_alpha': 0.6, 'neg_color': (0.2, 0.45, 0.95), 'neg_iso_frac': 0.1, 'pos_alpha': 0.8, 'pos_color': (1.0, 0.6, 0.0), 'pos_iso_frac': 0.1, 'show': True})[source]#

Plot two isosurfaces (positive at +pos_iso_frac*max, and negative at -neg_iso_frac*max) plus atoms and connections, using matplotlib 3D.

Return type:

Tuple[Figure, Axes]

Data expected keys:

  • scalar_data : 3D numpy array shape (nx,ny,nz)

  • grid_shape : tuple/list (nx,ny,nz)

  • spacing : (sx,sy,sz) (not strictly required if axis vectors given)

  • origin : 3-list

  • axis_x, axis_y, axis_z : 3-lists (vectors multiplied by grid indices)

  • atomic_positions : iterable of [Z, charge, x, y, z] (Z int)

  • connections : optional list/ndarray

  • optional 'verbosity' etc.

Returns (fig, ax)