On Jul 8, 2009, at 18:09 , Paolo Giannozzi wrote: > All Q-E codes use atomic Rydberg units
i.e. energy in Ry, lengths in Bohr radii (or \hbar=1, e^2=2, electron mass m=1/2) > with the exception of CP that uses atomic Hartree units i.e. energy in Ha, lengths in Bohr radii (or \hbar=1, e=1, electron mass m=1) P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
