Any way to get the 3D band structure?
Posted: Wed Dec 04, 2013 9:53 pm
Currently, my process for getting the bands is to set up nbands and the k-point circuit (negative kptopt), taking the EIG file that is generated, and then putting it through comp_bands_abinit2abinit.py. But this only gives a one-dimensional band structure along the circuit (i.e. a 2D plot).
Id like to get a 3D band plot. I suppose I could use a denser Monkhorst-Pack grid and then rearrange the points, but comp_bands doesn't leave information about the original k point in the dat file.
Is there any way to easily get a 3D band plot?
Id like to get a 3D band plot. I suppose I could use a denser Monkhorst-Pack grid and then rearrange the points, but comp_bands doesn't leave information about the original k point in the dat file.
Is there any way to easily get a 3D band plot?