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4.7 Other tools

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.

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

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



Paolo Giannozzi 2017-10-23