Hmm, thats weird. There are some checks in 1.1 with energies, I am not sure if that interferes with this. Its been too long since I really used 1.1. (I would suggest you update to a later SVN version)
2014-04-10 1:14 GMT+00:00 Behnaz Bagheri <[email protected]>: > Thank you Nick, but I have tried that. Didn't work. > > > On Wed, Apr 9, 2014 at 9:09 PM, Nick Papior Andersen <[email protected] > > wrote: > >> 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 >> > > -- Kind regards Nick
