TypeError: float() argument must be a string or a real number, not ‘Atom’

Hello Sir Alex/team developers,
I am facing this error ( TypeError: float() argument must be a string or a real number, not
‘Atom’) in interpolation section with latest version (v0.4.20) of amset. I ran task with previous version (v0.4.15) which is installed with my colleague that give me this error (numpy.linalg.LinAlgError: SVD did not converge). I followed these replies (What is the high_frequency_dielectric - #2 by alex
and Error in POP calculation using AMSET - #2 by alex) and then showed this error ( ValueError: Could not calculate Fermi level position.Try a denser
k-point mesh), But I used doping concentration (-1E17). My calculations are not going forward. Please help me in this regard.
Best,
Safdar

amset.log (6.6 KB)
amset(1).log (6.5 KB)
amset.log (15.6 KB)

Hi Safdar,

It seems like that this problem came from the compatibility issue between spglib and amset.
After testing I found that if you degrading the spglib from the latest version to v2.10.0 you can solve this problem.

Dear Zane,
Thank you very much, I have solved this error with your suggestions. Now it’s working properly.

Best Regards,
Safdar

This has been fixed in v0.4.21.