[chimerax-users] Reading cube file from Quantum Espresso pp.x

[Zack Gainsforth]

Hi,

I produced some projected wavefunctions in a crystal that I'm working with using Quantum Espresso (DFT).  I output these projections to a gaussian cube file using the pp.x program (built into Quantum Espresso).  I'm able to read these into ChimeraX but I'm unable to see the atoms -- only the volumetric data.  I tried Actions - Atoms/Bonds - Show, but I still don't see the atoms. Is there another step I should take to make them visible?

I see something like this:



(very nice!)

I'm attaching a link to the cube file below -- I can't include it because it is 600 MB.

Thanks,

Zack

https://www.dropbox.com/s/ehhli8h3qr7vd4y/wfc_k001_b329wfc.cube?dl=0
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