4.8 Other tools

4.8.0.1 Exchange-correlation

Code ppacf.x computes the coupling constant dependency of the exchange correlation potential E_{xc, λ}, λ∈[0 : 1] and the spatial distribution of the exchange-correlation energy density and kinetic correlation energy density according to: Y. Jiao, E. Schröder, and P. Hyldgaard, Phys. Rev. B 97, 085115 (2018). See PP/Doc/INPUT_PPACF.html.

4.8.0.2 Wavefunction conversion

Code wfck2r.x converts Kohn-Sham orbitals from reciprocal to real space. It is a useful starting point if you need to access wavefunctions and perform postprocessing operations that are not implemented in QUANTUM ESPRESSO.

4.8.0.3 Dielectric function

Code epsilon.x calculates RPA frequency-dependent complex dielectric function. Documentation is in file Doc/eps_man.tex.

4.8.0.4 Core-level shifts

Code initial_state.x calculates the initial state contribution to the Core-level shift. See CLS_IS_example/ for an example, and CLS_FS_example/ for the corresponding final state calculation of Core-level shifts.