Locally Thermal GGA Functional by Kozlowski, Perchak, and Burke
In ArXiv:2308.03319 Kozlowski, Perchak, and Burke introduce a locally thermal Perdew-Burke-Ernzerhof (ltPBE) GGA functional that may be easily implemented in libxc using LDA_XC_GDSMFB (id=577) and ground-state PBE [GGA_X_PBE (id=101) and GGA_C_PBE (id=130)].
Using the methodology of conditional-probability density functional theory, and several mild assumptions, we calculate the temperature-dependence of the Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA). This numerically-defined thermal GGA reduces to the local approximation in the uniform limit and PBE at zero temperature, and can be fit reasonably accurately (within 8%) assuming the temperature-dependent enhancement is independent of the gradient.