External electric field

Run-time issues concerning Yambo that are not covered in the above forums.

Moderators: Daniele Varsano, andrea marini, Conor Hogan, myrta gruning

External electric field

Postby young » Wed Apr 17, 2019 4:36 pm

Dear developers,

I want to focus on an external electric field effect on the GW band structure and BSE. Firstly, I apply the finite electric field in my calculation through the modern theory of the polarization in QE Code. My question is how can I do next ? Can I perform the GW calculation using the wavefunction from QE ? What parameter can I set in YAMBO ? Thanks in advance!

With Regards
Ke
young
 
Posts: 10
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Re: External electric field

Postby Daniele Varsano » Wed Apr 17, 2019 4:42 pm

Dear Ke,
please add your affiliation in your signature. This ia a rule of the forum and you can do once for all in the user profile panel.
I think that if you have included the electric filed in the ground state, next you can perform perturbation theory on top of that, ie using KS eigenvalues and eigenfunction obtained under the effect of the electric field without any particular attention on the Yambo side. I do not know if in this way there is something missing, maybe other users can comment on that.

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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Re: External electric field

Postby young » Wed Apr 17, 2019 4:54 pm

Dear Daniele,

Thank you for your reply quickly. I will perform the calculation based on what you said.

Best
Ke

Ke Yang
PHD student
Rensselaer polytechnic instituteļ¼Œ Troy, NY, US
Hunan university, changsha, Hunan, China
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Posts: 10
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