Error in generating 3rd and fourth force constants

Hello , everyone, I need your kind suggestions, as during creating the 3rd and 4th constants, I have been experiencing this error: “raise ValueError(‘bad spos {}’.format(sp))
ValueError: bad spos 0.9999999699999997”. Please help me to resolve this issue. Thank you.

This error sometimes occur in the ClusterSpace construction, to solve it you can try something like

ClusterSpace(prim, ...)

which usually work.

1 Like

Thank you so much for your kind suggestion.

Would you please like to tell me where should I can use this?