Sorry, noticed some misprints in my previous message.
==================================================
as far as I understand what is needed is to search to search through a 3D LDOS
dataset
and find the value of z, for each x and y, which corresponds to the given value
of the LDOS.
There are many codes doing this, including mine lev00 (the Tersoff-Hamann
method):
http://www.mth.kcl.ac.uk/~lev/codes/lev00/index.html
It interpolates between the closest z-entries for the given (x,y), plots the
result and is rather user-friendly.
It does many more things for DFT users, I believe it is worth looking at the
above webpage.
you can currently use only vasp generated data, however, if there is demand
than adding siesta
and cp2k generated datasets would be a simple thing to do, just let me know if
this is required.
Cheers,
Lev
On 09 May 2014, at 22:13, Scott Webster
<[email protected]<mailto:[email protected]>> wrote:
I believe that for each X/Y grid point, the tip is moved through a series of Z
position heights. At each height a measurement is made (e.g. current).
I think what Jose wants is the following. For each X/Y grid point, find the Z
height corresponding to a certain current (or first Z height for which current
is above/below a threshold). Now you have a "normal" dataset with a certain Z
height for each X/Y point and can display as desired.
On Fri, May 9, 2014 at 1:58 PM, David Nečas (Yeti)
<[email protected]<mailto:[email protected]>> wrote:
On Fri, May 09, 2014 at 08:27:53PM +0000, José Coutinho wrote:
> Not sure if you understood it right. I meant the maximum z-coordinate
> that corresponds to a user-defined (constant) LDOS(E+dE,x,y,z).
> Basically, in STM the tip hoovers over a landscape with approximately
> constant LDOS.
I admit that, being the kind of physicist preferring pencil and paper to
fickle real-world samples, I have only some basic understanding of STM.
Anyway, for me the full STM description would have 4 abscissa axes (the
fourth being voltage, electron energy, or something similar), whether we
talk about current, density of states, or anything. So please dumb it
down for me by saying explicitly what are the axes for the N1×N2×N3 grid
and what is the value (ordinate) because I am still missing one axis
somewhere.
Thanks,
Yeti
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====================================
Prof. Lev Kantorovich
Department of Physics
School of Natural and Mathematical Sciences
King' s College London
The Strand, London
WC2R 2LS
U.K.
[email protected]<mailto:[email protected]>
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