'Vpds': 0.0724,
'Vpdp': 0.0772,
'Vdds': 0.1849,
'Vddp': 0.0429,
'Vddd': - 0.0333,
},
'MoMo': {
'Vsss': - 0.0575,
'Vsps': 0.0057,
'Vpps': 0.0296,
'Vppp': 0.0946,
'Vsds': - 0.1082,
'Vpds': 0.0212,
'Vpdp': - 0.0448,
'Vdds': - 0.0216,
'Vddp': - 0.0285,
'Vddd': 0.0432,
}
}
system.with_eigenvectors = True
system.num_of_bands = 8
for i in xrange(len(system.atoms)):
system.atoms[i].orbitals = ['s', 'px', 'py', 'pz', 'dxy', 'dyz', 'dxz',
'dx2-y2', 'dz2']
system.just_do_main_magic()
plt = Plotter(system.name)
plt.plot_energy_bands_from_file()
