Page 1 of 1

STM image plot

Posted: Sun Apr 23, 2006 6:21 pm
by bandy
Hello,

I have run a calculation for Si(001) 2x1 surface cell with
the option STM=STM = 7.276 9.900 0.052918 -80 0.30 as recommended in STM.F file in vasp source. After I ran, I got the output file "STM". The header of STM.F file says that the plot is according to the STM plot by Bardeen's approach.

Here I reproduce a part from "STM":
Scale for VASP output: 0.0129099

14.6050818 0.0000000 0.0000000
0.0000000 7.2907401 0.0000000
0.0000000 0.0000000 0.4087816
fermi-energy: -0.0668102
ispin: 2 k-points: 41 z-values: 50 G-vectors: 54 max-eigenval 1

k-point 1 bands 0 G-vectors 47
k-point 0.0000000000 0.0000000000 0.0123456790
k-point 2 bands 0 G-vectors 49
k-point 0.1111111111 0.0000000000 0.0246913580
k-point 3 bands 0 G-vectors 49
k-point 0.2222222222 0.0000000000 0.0246913580
k-point 4 bands 0 G-vectors 47
k-point 0.3333333333 0.0000000000 0.0246913580
k-point 5 bands 0 G-vectors 48
k-point 0.4444444444 0.0000000000 0.0246913580
k-point 6 bands 1 G-vectors 49
k-point 0.0000000000 0.1111111111 0.0246913580
eigenenergy -0.0663796323 occupancy 0.0108196301
G-vector: 0 0
( 0.42107E-03, 0.11497E-02)
-----
-----
-----
G-vector: -1 -1
( -0.48015E-03, 0.17519E-03)
( -0.36514E-03, 0.39514E-04)
--------
--------

My question is: How I can get the STM plot from the output file "STM" without using p4vasp. I need some explanations/hints.

Thank you
bandy

STM image plot

Posted: Wed Apr 26, 2006 10:48 am
by admin
you can use the STRender utility developed by Dr. Daniel Spisak
http://cms.mpi.univie.ac.at/spisak/
please inform him if you decide to use his software package.