forum@abinit.org
Subject: The ABINIT Users Mailing List ( CLOSED )
List archive
- From: yshtogun@cas.usf.edu
- To: forum@abinit.org
- Subject: shiftk for 1D crystal?
- Date: Mon, 27 Mar 2006 03:04:55 +0200
Dear abinit users!
I have question about shiftk. Tutorial and manual said that When the
primitive vectors of the lattice do NOT form a FCC or a BCC lattice, the
usual (shifted) Monkhorst-Pack grids are formed by using nshiftk=1 and shiftk
0.5 0.5 0.5. I tray calculate energy for my 1D crystal, I used ngkpt 1 1 4
but I am confuse about the value of shiftk.
Is the value of shiftk the same for 1D crystal like for 3D? I mean can I
use default value for 1D calculation.
Thank you
Yaroslav!
- shiftk for 1D crystal?, yshtogun, 03/27/2006
- Re: [abinit-forum] shiftk for 1D crystal?, Michel Côté, 03/27/2006
Archive powered by MHonArc 2.6.16.