definition

Full name: ase2sprkkr.output_files.definitions.dij.definition

ase2sprkkr.output_files.definitions.dij.definition = <OUTPUT FILE JXC>

V(‘NP’, int), V(‘COMMENT’, Prefixed(‘#’), name_in_grammar=False), V(‘RAW_DATA’, NumpyArray(written_shape=(-1,8)), name_in_grammar=False), GV(‘MODE’, lambda c,k=None: ‘energy’ if c.NE() > 1 else ‘kx_ky’), *switch(‘MODE’, {

‘energy’: [

NV(‘THETA’, ‘RAW_DATA’, i(0), (‘NE’, ‘NT’)), NV(‘ENERGY’, ‘RAW_DATA’, i(1), (‘NE’, ‘NT’)), NV(‘K’, ‘RAW_DATA’, i(6), (‘NE’, ‘NT’), info=’K_parallel (pi/A)’),

], ‘kx_ky’: [

NV(‘KX’, ‘RAW_DATA’, i(0), (‘NP’, ‘NT’), info=’k_x coordinate (1/Å)’), NV(‘KY’, ‘RAW_DATA’, i(1), (‘NP’, ‘NT’), info=’k_y coordinate (1/Å)’),

]

}), NV(‘TOTAL’, ‘RAW_DATA’, ii(2), info=’Total intensity’, plot=change_default_kwargs(plot,title=r’Total intensity’,colormap=’gray’)), NV(‘UP’, ‘RAW_DATA’, ii(3), info=’Spin up’, plot=change_default_kwargs(plot,title=r’Spin up’,colormap=’gray’)), NV(‘DOWN’, ‘RAW_DATA’, ii(4), info=’Spin down’, plot=change_default_kwargs(plot, title=r’Spin down’, colormap=’gray’)), NV(‘POLARIZATION’, ‘RAW_DATA’, ii(5), info=’Spin polarization’,

plot=change_default_kwargs(plot, colormap=’bwr’, title=r’Spin polarization’)

),

NV(‘DETERMINANT’, ‘RAW_DATA’, determinant),