[Wannier] Determining the dis_win_min, dis_win_max, dis_froz_min and dis_froz_max settings

DWI NUGRAHENI R wiwikfis at mail.ugm.ac.id
Tue Aug 30 10:38:38 CEST 2022


Dear wannier90 users,



I want to calculate the thermoelectric properties of graphene supercell
using the wannier90.


What is the basis for determining the dis_win_min, dis_win_max,
dis_froz_min and dis_froz_max settings? and how to determine them?



When doping is added to graphene supercell, how to determine the
dis_win_min, dis_win_max, dis_froz_min and dis_froz_max settings?


Thank you very much.

Best regards,

Dwi Nugraheni R

Department of Physics

Universitas Gadjah Mada

Indonesia
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20220830/685af1a7/attachment.html>


More information about the Wannier mailing list