It needs to be "-g cube" (lowercase). Kind regards Nick
2014-04-09 20:29 GMT+00:00 Behnaz Bagheri <[email protected]>: > 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 > -- Kind regards Nick
