[QE-users] STM -> Role of heightmax and heightmin tags

Summayya Kouser kouser.summayya1 at gmail.com
Wed Jul 10 21:07:55 CEST 2019


Hi,

I am trying to simulate STM images for few systems.
I was successful in reproducing exactly experimental
image. But I doubt if I understand the tag heightmax and
heightmin in INPUTPP. I am appending the input pp
description given in the code below.
I would like to understand the physical meaning of these
tags for experimental STM tip. It says that height min
should be somewhere in the bulk, does that mean the STM
tip goes deep inside the material?

=============================================================
 heightmin    ! (real) minimum value of the plane in which searching for
the isosurface
  !                   ! default value -> 0.0d0
  !      heightmax    ! (real) maximum value of the plane in which
searching for the isosurface
  !                   ! default value -> 1.0d0
  !                   ! the two parameters above are in percentage with
respect to the
  !                   ! height of the cell, i.e. between 0.0 and 1.0.
  !                   ! If heightmax < heightmin, it treats it as if it's
in the
  !                   !  upper periodically repeated slab.
  !                   ! Put heightmin somewhere in the bulk and heightmax
in the vacuum
============================================================


Summayya Kouser
Postdoctoral Researcher,
Rice University,
USA
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