Exchange-Correlation (XC) Functionals ===================================== Local Density Approximation (LDA) XC Functionals ------------------------------------------------ Perdew-Zunger (PZ) Functional ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ .. autofunction:: functionals.PerdewZunger Perdew-Wang (PW) Functional ^^^^^^^^^^^^^^^^^^^^^^^^^^^ .. autofunction:: functionals.PerdewWang Chachiyo Functional ^^^^^^^^^^^^^^^^^^^ .. autofunction:: functionals.Chachiyo Generelized Gradient Approximation (GGA) XC Functionals ------------------------------------------------------- Perdew-Burke-Ernzerhof (PBE) Functional ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ .. autofunction:: functionals.PerdewBurkeErnzerhof