pyprocar.elkparser package¶

Submodules¶

Created on Fri March 2 2020 @author: Pedram Tavadze

class pyprocar.elkparser.elkparser.ElkParser(elkin='elk.in', kdirect=True)[source]¶

Bases: object

Attributes

composition: Returns the composition of the structure
fermi: Returns the fermi energy read from FERMI.OUT
high_symmetry_points: Returns the corrdinates of high symmtery points provided in elk.in
knames: Returns the names of the high symmetry points(x ticks) provided in elk.in
natom: Returns number of atoms in the structure
nhigh_sym: Returns nu,ber of high symmetry points
nkpoints: Returns total number of kpoints
nspecies: Returns number of species
reclat: Returns the reciprocal lattice read from LATTICE.OUT
spd_orb
tasks: Returns the tasks calculated by elk

property high_symmetry_points¶: Returns the corrdinates of high symmtery points provided in elk.in

property knames¶: Returns the names of the high symmetry points(x ticks) provided in elk.in