Dear Siesta users,
I have a problem regarding EigneChannels. I am trying to redo this tutorial
:
http://dipc.ehu.es/frederiksen/tstutorial/index.php/1D_Si_chain
I want to visualize Isosurfaces. Using EigenChannels, I can get the *.macu
files. Unfortunately I was not able to install the old version of
Molekel(molekel4.3) on my computer to load *.macu files. So I tried to
generate *.cube file using EigenChannels -g CUBE then I could use VMD. It
didn't give me any error but didn't generate *.cube files. I am using
Inelastica1.1 and EigenChannel -h gives me this:
Options:
-h, --help show this help message and exit
Options for Eigenchannels:
-n NUMCHAN, --NumChan=NUMCHAN
Number of eigenchannels [4]
-B, --BothSides Calculate eigenchannels from both sides [No]
-r RES, --Res=RES Resolution [0.4 Ang]
-g CUBE, --cube=CUBE
Real space file format 'macu' or 'cube'
-N NUMPHCURR, --NumPhCurr=NUMPHCURR
Max number of changes in bond currents from
inelastic
scattering [10]
Options for Eigenchannels and Inelastica:
-e EF, --Ef=EF Fermi energy [0.0 eV]
-f FDFFILE, --fdf=FDFFILE
fdf file used for transiesta calculation [./RUN.fdf]
-p PHONONNETCDF, --PhononNetCDF=PHONONNETCDF
Electron-phonon coupling NetCDF [none]
-s ISPIN, --iSpin=ISPIN
Spin channel [1]
-k KPOINT, --kPoint=KPOINT
2D k-point in range [0,1] given as string!
default='[0.0,0.0]'
I would be thankful if anybody can help me.
With kind regards,
Behnaz
