[Pw_forum] Units in dynamical matrix files

[Paolo Giannozzi]

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.
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222