.. _kpath: K Path =============== PyProcar provides a data class to manage the kpath information when performing band structure calculations, known as the KPath class. This class takes knames, kticks, special_kpoints, and ngrids as arguments Accessing Kpath Information +++++++++++++++++++++++++++++++++++++ The KPath object (referred to as "kpath") can be accessed through the main io.Parser class or the ElectronicBandStructure: .. code-block:: python import pyprocar parser = pyprocar.io.Parser(code = 'vasp', dir=path_to_calculation) kpath = parser.kpath ebs = parser.ebs kpath = ebs.kpath Using the kapth object, you can access various information related to the kpath: .. code-block:: python kpath.nsegments # The number of kpath segments # 6 kpath.knames # The knames # [['$GAMMA$', '$H$'], ['$H$', '$N$'], ['$N$', '$GAMMA$'], ['$GAMMA$', '$P$'], ['$P$', '$H$'], ['$P$', '$N$']] kpath.tick_positions # The ticks which the knames belong to # [0, 49, 99, 149, 199, 249, 299] kpath.tick_names # The knames # ['$GAMMA$', '$H$', '$N$', '$GAMMA$', '$P$', '$H$|$P$', '$N$'] kpath.kdistances # The distances along the kpath # [0.8660254 0.70710678 0.5 0.4330127 0.8291562 0.4330127 ]