Dear Nakib,
I hope this message finds you well.
I am using elphbolt to calculate the phonon drag of 2D materials.When I set polar = .true. and twod = .true., I encounter the error: "Large negative phonon energy found! Stopping!" The code works fine if I turn the polar flag off.
I noticed the source code uses 3d_q functions (such as spectral_head_polarizability_3d_q). Does elphbolt support 2D-specific polar correction yet? If not, are there any other methods to resolve this numerical instability?
Thanks for your help!
Best regards,
Lee
Dear Nakib,
I hope this message finds you well.
I am using elphbolt to calculate the phonon drag of 2D materials.When I set polar = .true. and twod = .true., I encounter the error: "Large negative phonon energy found! Stopping!" The code works fine if I turn the polar flag off.
I noticed the source code uses 3d_q functions (such as spectral_head_polarizability_3d_q). Does elphbolt support 2D-specific polar correction yet? If not, are there any other methods to resolve this numerical instability?
Thanks for your help!
Best regards,
Lee