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v. 3.2.0
Minor features
Updates to the screening defaults. Should still be fast, but closer
to convergence
Broadening approximation for XAS is no longer the default (column 2) in
outputs. The unbroadened spectrum (column 3) was already recommmended.
Updates to the Pseudo-Dojo potentials to add in f channels to the
following elements: Ba, Bi, I, Pb, Po, Rb, Rn, S, Te, Tl, and Xe. This is
in line with the v0.5 updates. They've been applied to LDA and PBEsol as
well as PBE.
v. 3.1.3
Bug fixes
Crashing bug in RIXS of 2p when the underlying DFT calc had spin=1
Fixed for ABINIT compatibility
Small fixes for GW corrections
v. 3.1.2
Minor features
Reduction in the memory required for screening calculations. Could be a
substantial improvement for large systems.
Bug fixes
Small, odd number k-point grids might have had slightly incorrect x-ray
spectra due to an error in how the k-point sampling was unfolded into a
supercell.
Gamma-point selection for screening calculations was not being triggered.