Ipa and tdbse
Posted: Thu Feb 06, 2025 10:42 am
Dear Sir,
the attached 2 spectrum are of IPA and TDBSE (no GW) approach on a material.
Sir why am I getting this high peak in TDBSE? is it due to the high excitonic effects of the material?
I have attached both inputs, please suggest any changes if required.
NLbands were 8-11(2valance and 2conduction) , total bands 200 with 16x16x1 k grid
the attached 2 spectrum are of IPA and TDBSE (no GW) approach on a material.
Sir why am I getting this high peak in TDBSE? is it due to the high excitonic effects of the material?
I have attached both inputs, please suggest any changes if required.
NLbands were 8-11(2valance and 2conduction) , total bands 200 with 16x16x1 k grid