static dielectric tensor ionic contribution and epsilon_o
Posted: Thu Jan 08, 2015 6:21 pm
Dear all VASP users,
I'm using VASP to calculate the dielectric constant (both high frequency epsilon_inf and static epsilon_o) with LEPSILON=.TRUE. and IBRION = 8. I want to compare the results with the experiments. I know that the value of dielectric constant printed after "MACROSCOPIC STATIC DIELECTRIC TENSOR (including local field effects in DFT)" can be compared with epsilon_inf from experiment, but what about the value printed after MACROSCOPIC STATIC DIELECTRIC TENSOR IONIC CONTRIBUTION ? Can I compare it directly with epsilon_o from experiment?
Thank you in advance for your help.
Best,
Seiha.
I'm using VASP to calculate the dielectric constant (both high frequency epsilon_inf and static epsilon_o) with LEPSILON=.TRUE. and IBRION = 8. I want to compare the results with the experiments. I know that the value of dielectric constant printed after "MACROSCOPIC STATIC DIELECTRIC TENSOR (including local field effects in DFT)" can be compared with epsilon_inf from experiment, but what about the value printed after MACROSCOPIC STATIC DIELECTRIC TENSOR IONIC CONTRIBUTION ? Can I compare it directly with epsilon_o from experiment?
Thank you in advance for your help.
Best,
Seiha.