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RPAF, short for Random Phase Approximation (RPA) based Functional, is a local density approximation functional based on the uniform electron gas with an RPA-renormalized screened interaction.

RPAF is distributed under the GNU General Public License. We would appreciate it if any work using the RPAF includes the reference M. Benites, A. Rosado, and E. Manousakis, Phys. Rev. B 110, 195151 (2024).

An implementation of the RPAF for the Quantum ESPRESSO package version 7.2 can be found here. Replace these files with the ones in the XClib directory of the Quantum ESPRESSO directory and compile with make all.

To use the functional for self-consistent calculations, add the flag input_dft = 'RPAF' (or input_dft = 'XC-001I-015I') in the system namelist of the pw.x input files. For more details check the input file description.

Pseudopotentials

A ready-to-use set of pseudopotentials for the RPAF can be found below. These pseudopotentials were generated with the PSlibrary input files.