m_n_supercell_new.py

[cty07]

By XueFei Liu
The lattice constant for structure a:3.273
The lattice constant for structure b:2.556
The possible new constants

Sqrt(lat_a): [5.0001, 9.9999, 9.9999, 7.9999, 13.0001, 20.0, 18.0001]
Sqrt(lat_b): [8.0001, 17.0001, 18.0, 13.0, 20.0001, 31.9999, 31.9999]

Produce m n groups for structure a...
Traceback (most recent call last):
File "m_n_supercell_new.py", line 112, in
theta=(30/360)np.pi2)
File "m_n_supercell_new.py", line 33, in m_n
c_1=round(ab2b1/(b1_v*ab2_v),4)
ZeroDivisionError: float division by zero

[123bxb]

I have the same problem. Have you solved it yet?