esta.qeBag.get_kpath_bandstr
¶
get_segment_division(points, base_interval=None)
¶
given list of kpoints (total pts being nkpt), divide the segment between each pair of kpoints into equal number of pts.
Parameters: points: list of kpoints base_interval (optional): no of points as a whole for the whole kpath, default is 100
Returns: n_intervals: list of number of pts in each segment
get_kpath_bandstr(poscar_file, base_interval=None)
¶
using seekpath and esta to get kpath points with labels for the QE and vasp calculations