It is currently Fri Aug 23, 2019 2:24 am

Tell a friend!


Post new topic Reply to topic  [ 2 posts ] 
Transport in 2D system 
Author Message

Joined: Mon Dec 26, 2016 10:49 am
Posts: 22
University: Inner Mongolian Univ
Post Transport in 2D system
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


Fri Oct 12, 2018 3:01 pm
Profile E-mail
Site Admin
User avatar

Joined: Wed Jan 13, 2016 7:25 pm
Posts: 573
University: Oxford
Post Re: Transport in 2D system
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

_________________
Dr. Samuel Poncé
Department of Materials
University of Oxford
Parks Road
Oxford OX1 3PH, UK


Mon Oct 15, 2018 1:45 pm
Profile E-mail
Display posts from previous:  Sort by  
Post new topic Reply to topic  [ 2 posts ] 


Who is online

Users browsing this forum: No registered users and 1 guest


You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum

Search for:
Jump to:  
cron
Powered by phpBB © phpBB Group.
Designed by Vjacheslav Trushkin

(All content on this board is governed by and is the sole responsibility of the board administrator.)


Gratis forum Free forum hosting| gratis phpbb3 forum | phpbb3 styles