Question about calculating deformation potential constant

Dear developers:

I am a little bit confused about how to get volume deformation potential. I have read your paper, it says:
“To account for shifts in the average electrostatic potential between deformed cells, we align the eigenvalues to the energy level of the deepest core state.”
I also checked the paper you cited (ref. 58), it says:
“we calculate the deformation potential of the transition between the VBM and the averaged cation and anion 1s core levels”.
Still, I don’t understand quite well about these words. Could you explain more about how to align the eigenvalues to the energy level of the deepest core state? What should I calculate?
By the way, I noticed the volume deformation potential given by you and ref. 58 at VBM and CBM have obvious difference, Could you explain it?

Best regards,

Dear Tao,

Apologies for the delay responding to your message. We have just released a new version of AMSET with a tool to assist with the calculation of the deformation potentials. More information is available in the documentation:

Any differences in calculated deformation potentials could result from different calculation settings (k-point mesh, DFT functional, energy cut-off etc).

Please let me know if you have any further questions.