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:

kgrid : size (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

ngrid : size (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. :