How I can specify number of bands (occupied and empty) to be calculated in the Elk input file?
Thank you in advance
I'm not sure, but maybe you are looking for the option
(see manual for details)
For example, I want to calculate 5 valence and 5 next empty bands.
if you want to limit the calculation to a specific number of valence states you might want to look into the species files and change the core and valence states as well as the free states, but I do not think that this makes sense. What exactly do you want to calculate?
Infact, I'm trying Elk on carbon nanotubes. I've ploted the band structure but number of bands are a lot and hence more RAM usage is inevitable.
So the plotting of bands needs to much RAM? Not the calculation?
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