# read structure
if os.path.exists(fstruct):
struct = mg.read_structure(fstruct)
else:
print("File %s does not exist" % fstruct)
exit(1)
# symmetry information
struct_sym = SymmetryFinder(struct)
print("lattice type : {0}".format(struct_sym.get_lattice_type()))
print("space group : {0} ({1})".format(struct_sym.get_spacegroup_symbol(),
struct_sym.get_spacegroup_number()))
# Compute first brillouin zone
ibz = HighSymmKpath(struct)
ibz.get_kpath_plot(savefig="path.png")
print("ibz type : {0}".format(ibz.name))
# print specific kpoints in the first brillouin zone
for key, val in ibz.kpath["kpoints"].items():
print("%8s %s" % (key, str(val)))
# suggested path for the band structure
print("paths in first brillouin zone :")
for path in ibz.kpath["path"]:
print(path)
# write the KPOINTS file
Kpoints.automatic_linemode(ndiv, ibz).write_file("KPOINTS")
