Local hybrid exchange–correlation with contracted plane wave basis functions

Local hybrid exchange–correlation (LH XC) functionals incorporate position-dependent exact exchange but are often limited by computational cost and self-consistent field (SCF) convergence challenges. In this study, we examine the performance of a testbed LH XC functional within the contracted plane wave basis function framework, which enables the evaluation of the exact exchange energy density with minimal additional overhead. Calculations on diamond supercells show that SCF convergence is robust and that the cost of forming the non-local contributions is approximately twice that of analogous global hybrid calculations. When combined within a practical SCF optimization protocol, the results indicate that calculations using LH XC functionals incur only a modest increase in total cost relative to those using global hybrid functionals, demonstrating that this approach is computationally viable.