Dataset for "The Mott transition in the 5d1 compound Ba2NaOsO6: A DFT+DMFT study with PAW spinor projectors"
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资源简介：
The dataset contains input/output files for the 1. DFT calculation with Spin-Orbit Coupling (SOC) and PAW spinor projectors (VASP)2. DFT+DMFT with CTHYB without SOC and with non-collinear (TRIQS) 3. DFT+DMFT with CTHYB with SOC (TRIQS) 4. MaxEnt results for analytic continuation (TRIQS)
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Zenodo创建时间：
2026-06-02
