Hi, Since, I at least get something over 500 bands for that run, you need to change the parameter maxb in the gnubands.f to a number bigger than the number of bands in carbon_nanoscroll.bands. Recompile gnubands after that and it should work.
About the bandstructure itself I don't know if you get something meaningful, it is quite a big cell so you get a lot of band folding hence very hard to interpret. Regards Henrik 2010/5/28 Prathibha Ramaprasad <[email protected]> > Hi All, > When I ran the carbon nanoscroll in the "siesta-3.0-b/Tests" folder, I > was unable to plot the bandstructure. I got the error that the number > of bands in the output is more than the max set in gnubands.f. When I > tried to work around it, I just got meaningless bandstructure plots. > > Do any of you have an example bandstructure from this example that you > can post it here? > > Thanks, > > Prat >
