[SIESTA-L] Fermi Energy

Dear Siesta Developers and Users, 1. In the output files of spin-polarized calculations, I always got the following: -- siesta: Fermi energy = 0.00 eV siesta: Program's energy decomposition (eV): siesta:-Eions = -2

[SIESTA-L] reverse engineer the ATOM .inp from .psf

Hi, Is there a way to reverse engineering the ATOM .inp file from the actual pseudopotential .psf file? In particular, when pseudo-core corrections are used. The other values are easy to get but I don't know how to figure out what value of r_pc was used for the pseudopotential. Bests, -- Nichols