[ase-users] TDDFT with voltage bias

[Mikkel Strange]

Dear Alessandro,

I'm afraid that ASE can't do that, but perhaps you could try to ask on the gpaw-users mailing list?

Best wishes
Mikkel
________________________________
From: ase-users-bounces at listserv.fysik.dtu.dk [ase-users-bounces at listserv.fysik.dtu.dk] on behalf of Alessandro Pirrotta via ase-users [ase-users at listserv.fysik.dtu.dk]
Sent: Tuesday, June 20, 2017 4:47 PM
To: ase-users
Subject: [ase-users] TDDFT with voltage bias

Dear ASE community,

Is it possible to carry out a linear response TDDFT calculation on a nano junction where a voltage bias is applied?

Cheers,
Alessandro
——
Alessandro Pirrotta
PhD student



Faculty of Science
Department of Chemistry &
Nano-Science Center
University of Copenhagen
Universitetsparken 5, C321
2100 Copenhagen Ø
Denmark

DIR +45 21 18 11 90
MOB +45 52 81 23 41

alessandro.pirrotta at chem.ku.dk<mailto:alessandro.pirrotta at chem.ku.dk>
http://nano.ku.dk/english/research/nanochemistry/solomon_group/
www.ki.ku.dk<http://www.ki.ku.dk/>

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