How does VASP determine the frequency range for GW dielectric calculations
Posted: Mon Jun 24, 2024 5:46 pm
Basically what the title says...
I'm doing GW calculations to determine the frequency dependent dielectric constant of a bulk semiconductor, and I was wondering how VASP picks the frequency range?
For my output, the highest unoccupied orbital has an energy of of ~80eV, however, the output has dielectric constant values for all the way up until 412eV. This doesn't really make sense to me.
I'm doing GW calculations to determine the frequency dependent dielectric constant of a bulk semiconductor, and I was wondering how VASP picks the frequency range?
For my output, the highest unoccupied orbital has an energy of of ~80eV, however, the output has dielectric constant values for all the way up until 412eV. This doesn't really make sense to me.