Transport in 2D system

General discussion around the EPW software

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sdwang

Transport in 2D system

Post by sdwang »

Dear all,
I dig into the module of tranport_iter.f90 and find:
inv_cell = 1.0d0/omega
! for 2d system need to divide by area (vacuum in z-direction)
IF ( system_2d ) &
inv_cell = inv_cell * at(3,3) * alat

in the last line, what the at(3,3) doea mean? And, does this means the 2D system is considered automatically if
'system_2d' is activated?

Shudong
sponce
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Posts: 616
Joined: Wed Jan 13, 2016 7:25 pm
Affiliation: EPFL

Re: Transport in 2D system

Post by sponce »

Dear Shudong,

2D system are not yet supported in EPW. This is just the start of an implementation but other things need to be fixed to make 2D materials works.

Best wishes,
Samuel
Prof. Samuel Poncé
Chercheur qualifié F.R.S.-FNRS / Professeur UCLouvain
Institute of Condensed Matter and Nanosciences
UCLouvain, Belgium
Web: https://www.samuelponce.com
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