Woongpyo Jeon

3 Questions 3 Answers 0 Followers

Questions related from Woongpyo Jeon

Is it possible to perform GW+BSE calculations on non-periodic cluster model using VASP?

Hello, I am currently trying to calculate the frequency-dependent dielectric function of a cluster using GW+BSE calculations. When performing GW+BSE calculations in VASP, is it possible to compute...

17 October 2024 2,304 0 View

VASP error: KILLED BY SIGNAL: 9 (Killed)?

Hello, I'm trying to set up a VASP calculation for GW+BSE to obtain the dielectric function of a metal-oxo cluster structure. During the additional DFT "virtual" orbitals (empty states)...

06 October 2024 2,166 3 View

How to calculate dielectric function around 92eV using VASP?

I would like to calculate the dielectric function in the EUV region (photon energy = 92 eV) for a cluster-type material using VASP. When I added the LOPTICS tag in the INCAR file and performed the...

26 September 2024 7,618 2 View