I'm interested in calculating density of states (DOS) and band structures for metals in which the electrons have a finite temperature (up to ~ 3 eV).(adsbygoogle = window.adsbygoogle || []).push({});

I've read several papers indicating that the DOS shifts with electron temperature, and that DFT can be used to calculate finite-temperature electronic structures by including entropy effects (i.e., minimizing the free energy).

My question is, which (if any) of the "standard" DFT codes performs such finite-temperature modeling.

Specifically, does either VASP or ABINIT have this capability?

Thanks

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# A DFT Code for Finite-Temperature Calculations

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