@Ankita,
Please learn the concept of a "slab": Adding vacuum in the third
direction (and you can use the [surface] dipole correction if the two
surfaces/sides do not have the same asymptotic potential).
@Brahma,
Please provide your afficialtion too. ;)
Greetings from the Aeroport of Zurich,
apsi
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
Ari Paavo Seitsonen / [email protected] / http://www.iki.fi/~apsi/
Ecole Normale Supérieure (ENS), Département de Chimie, Paris
Mobile (F) : +33 789 37 24 25 (CH) : +41 79 71 90 935
On Sun, 10 Sep 2017, Bramha Pandey wrote:
Dear Ankita, You may use virtual nanolab(vnl) which is the part of Quantum
wise. It is free for academic
community.
Bdw kindly provide your affiliation for future communication on this forum.
On Sep 10, 2017 11:36 AM, "ankita jangir" <[email protected]> wrote:
Dear qe users
I want to run scf for graphene but dont have idea about how to form
structure of a 2D
material in QE. I run many 3D crystalline materials on QE.
Please suggest.
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