triqs_dft_tools.converters.elk.ElkConverter.convert_contours_input

ElkConverter.convert_contours_input(kgrid=None, ngrid=None)

Reads the appropriate files and stores the data for the cont_subgrp in the hdf5 archive.

Parameters:

kgridsize (4,3) double numpy array, optional

Numpy array defining the reciprocal lattice vertices used in the Elk Fermi surface calculation. Each row has the following meaning: grid3d[0,:] - origin lattice vertex grid3d[1,:] - b1 lattice vertex grid3d[2,:] - b2 lattice vertex grid3d[3,:] - b3 lattice vertex

ngridsize (3) integer numpy array, optional

Numpy array for the number of points along each (b1,b2,b3) lattice vertices

Note that these inputs relate to the plot3d input of Elk.