Hello,
I have calculated the dielectric tensor of a material succesfully using the optics executable and using the flag to ISYMM = 6. So I have the file EPS which contains exx eyy ezz exy eyz and exz components of the tensor.
I am trying now to convert those values to ea eb and ec meaning dielectric tensor's components as function to the lattice vectors (not cartesian).
Lattice vectors are for example
6.2 0.0 0.0
0.7 -7.7 0.0
0.6 -3.3 -14.1
as in poscar file...
I cant find a way to do this convertion so, could you please either direct me to do some reading either link to me any script you might know to do the convertion.
Excuse me if my question is trivia,
Thank you
gv
<span class='smallblacktext'>[ Edited ]</span>
Optics
Moderators: Global Moderator, Moderator
-
support_vasp
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: Optics
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