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I find your hands-on tutorial very helpful. Thank you for making it available to the public!
I'm more of a VASP user and plots with SUMO code previously, so when I use Quantum Espresso (to which SUMO is not compatible) your notebooks/scripts help me a lot!
I would like to ask if you may have a script/notebook available for projected band structure for two orbitals or two different elements in a compound.
I think they would be similar to the one you have in your website for k-resolved DOS:
but since the 'zipdata' and 'data' (line 9-10) there were extracted from the total pdos, I wasn't quite sure how to modify the script to also project several different orbitals or different elements.
would you share your plotting script for drawing such projected bandstructure plots, please?
The text was updated successfully, but these errors were encountered:
Hi @alpinnovianus, I will think about an example calculation, but cannot confirm when I can do it.
Thank you.
I'm looking forward to it.
A short expansion of the above notebook to plot separately the projection to s and p orbitals of silicon, or a simple binary compound to show each of the two elemental projections will be lovely, if I may suggest.
Dear Pranab Das,
I find your hands-on tutorial very helpful. Thank you for making it available to the public!
I'm more of a VASP user and plots with SUMO code previously, so when I use Quantum Espresso (to which SUMO is not compatible) your notebooks/scripts help me a lot!
I would like to ask if you may have a script/notebook available for projected band structure for two orbitals or two different elements in a compound.
I think they would be similar to the one you have in your website for k-resolved DOS:
but since the 'zipdata' and 'data' (line 9-10) there were extracted from the total pdos, I wasn't quite sure how to modify the script to also project several different orbitals or different elements.
would you share your plotting script for drawing such projected bandstructure plots, please?
The text was updated successfully, but these errors were encountered: