system = System([], mode="standard",
name='zz_chain_{}_{}_pz'.format(n, length))
system.atoms = []
for j in range(length):
for i in range(n):
dx = j * sqrt(3) * a
dy = 3. * a * i
dr = array([dx, dy, 0.])
system.atoms += [
Atom('C', dr + array([0., 0., 0.])),
Atom('C', dr + array([a * sqrt(3) / 2., a / 2., 0.])),
Atom('C', dr + array([a * sqrt(3) / 2., 3 * a / 2., 0.])),
Atom('C', dr + array([0., 2 * a, 0.])),
]
system.spin_multiplier = 1
system.k_mesh = [array([0., 0., 0.]), ]
system.parameters = {
'C': {
'ep': 0.,
},
'CC': {
'Vppp': -3.26,
}
}
for i in xrange(len(system.atoms)):
system.atoms[i].orbitals = ['pz'] # ,'dxy', 'dyz', 'dxz', 'dx2-y2', 'dz2']
system.just_do_main_magic()
