static dielectric tensor ionic contribution and epsilon_o
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static dielectric tensor ionic contribution and epsilon_o
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.
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- Global Moderator
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Re: static dielectric tensor ionic contribution and epsilon_o
Hi,
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