when the angle alpha gets close to 120 degree, the z coordinate of the third primitive vector gets vanishingly small. Eventually np.sqrt(sina**2 - ((cosa-cosa**2) / sina)**2)here is trying to compute the square-root of a negative value.
Edited:
Similar problem with for_triclinic_lattice
Should raise a ValueError when the quantity within sqrt is less than 0
when the angle
alphagets close to 120 degree, the z coordinate of the third primitive vector gets vanishingly small. Eventuallynp.sqrt(sina**2 - ((cosa-cosa**2) / sina)**2)here is trying to compute the square-root of a negative value.Edited: Similar problem with
for_triclinic_latticeShould raise a ValueError when the quantity within sqrt is less than 0