static dielectric tensor ionic contribution and epsilon_o

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Locked
Message
Author
Sokseiha
Newbie
Newbie
Posts: 1
Joined: Sat Jan 03, 2015 1:35 am
License Nr.: 5-1803

static dielectric tensor ionic contribution and epsilon_o

#1 Post by Sokseiha » 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.

support_vasp
Global Moderator
Global Moderator
Posts: 1817
Joined: Mon Nov 18, 2019 11:00 am

Re: static dielectric tensor ionic contribution and epsilon_o

#2 Post by support_vasp » Thu Sep 12, 2024 7:44 am

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


Locked