Temperature-dependent band structure + density of states

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Temperature-dependent band structure + density of states

Postby ashipley » Tue May 28, 2019 12:32 pm


I want to study the temperature-dependence of the electronic structure of various (metallic) systems. I have followed the tutorial on this topic (https://docs.abinit.org/tutorial/tdepes/) and have successfully run convergence tests modified for my own systems (using the post-processing python scripts method described in the tutorial). Ultimately, I want to calculate of the eigenenergy corrections along high-symmetry lines (I am happy doing this given the information and examples in the tutorial) and would also like to plot the temperature dependence of the electronic density of states (I am interested in high-Tc superconductivity, so this would be a very useful thing to have).

So my question is - is there a way to output/print/plot the temperature-dependent electronic DOS using Abinit (or its post-processing tools)? I'd like to be able to look at the DOS around the Fermi energy with and without ZPR and also at finite temperature. If I am not able to do this in Abinit, is there a way I can achieve the same thing using the outputs I have?

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