Re: [SIESTA-L] visualize HOMO and LUMO

One way to do it is that on your FDF file you need to specify the direction in which you want band energies to be calculated using the command BandLines. This will generate a file named filename.bands which contains the band energies. I use a utility called gnubands that converts this file into a

Re: [SIESTA-L] problem writting Transiesta TSHS file as NetCDF format

Dear Nick, I have installed sisl manually by "$> python setup.py install" as you said. But the mentioned error appeared again in the terminal. I attach the installation log file. Best Regards, On Sun, May 28, 2017 at 12:41 AM, Nick Papior wrote: > It seems like you