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Transport in 2D system

Posted: Fri Oct 12, 2018 3:01 pm
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

Re: Transport in 2D system

Posted: Mon Oct 15, 2018 1:45 pm
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