How to calculate dielectric constant in different directions, x and y

Deals with issues related to computation of optical spectra in reciprocal space: RPA, TDDFT, local field effects.

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Harshita
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Joined: Thu May 25, 2023 12:02 pm

How to calculate dielectric constant in different directions, x and y

Post by Harshita » Fri May 26, 2023 12:25 pm

I am using Yambo code for optical properties using GW+BSE, I am able to calculate the imaginary part of the dielectric constant following https://www.yambo-code.eu/wiki/index.ph ... al_systems
Can anyone tell how to calculate dielectric constant in different directions, x and y?
Harshita, Research Scholar, INST

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Daniele Varsano
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Joined: Tue Mar 17, 2009 2:23 pm
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Re: How to calculate dielectric constant in different directions, x and y

Post by Daniele Varsano » Sun May 28, 2023 8:49 pm

Dear arashita,

please follow the rule of the forum:
1. Choose the appropriate subforum. The question you posted is not appropriate for the Job offers and Announcements subforum. It is important that questions and answers are searchable for all the users.

2. Sign your post with your name and affiliation, you can do once for all by filling the signature in your user profile.

The polarization is indicated in input by the variable:

Code: Select all

BLongDir
1 | 0 | 0

and

0 |1 | 0

provides respectively the x and y direction.

It can be useful to have a look at the Yambo cheatsheet for the meaning of variables.

Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

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