Example #1
0
 def test_Vasprunxml(self):
     vxml = Vasprunxml("vasprun-energy.xml")
     vxml.parse_calculation()
     vxml.parse_eigenvalues()
     print "Forces:"
     print vxml.get_forces()
     print "Stress:"
     print vxml.get_stress()
     print "Lattice:"
     print vxml.get_lattice()
     print "Atomic points:"
     print vxml.get_points()
     print "Energy:"
     print vxml.get_energies()
     print "Eigenvalues:"
     print vxml.get_eigenvalues()
     print "Kpoints:"
     print vxml.get_kpoints()
     print "Occupancies:"
     print vxml.get_occupancies()
     print "Born charges"
     print vxml.get_born_charges()
     print "Epsilon"
     print vxml.get_epsilon()