Error in POP calculation using AMSET

Your static dielectric tensor is smaller than the high-frequency dielectric tensor. This is impossible since static dielectric = high-frequency dielectric + ionic contributions. Please see this answer for more details: What is the high_frequency_dielectric - #2 by alex

Once you have the right dielectric constants your calculation should work fine. Although I have a couple of other notes on your calculation:

  • You don’t need to include “PIE” scattering in the calculation as your piezoelectric coefficient is basically zero.
  • Because you are at a relatively large carrier concentration, I can recommend that you set free_carrier_screening: true in your settings file. You can read more about this option here: Settings - AMSET Documentation

Best,
Alex