Dear All, I refer to a previous topic concerning "units in dynamical matrix files".
Checking by hands the diagonalization of the dynamical matrix (after dividing by the sqrt of masses) by the normalized eigenvectors (provided in the .dyn output) I get a factor of 0.0625 (i.e. 2pi*1.D-2) between the diagonalised matrix and the eigenvalues (Ry units) provided in .dyn output (e.g. see phonon example 1 for C and Si). Could anyone kindly clarify this point? Thanking in advance. best regards, Federico Gallino Dr. Federico Gallino, Ph.D. SAES Getters S.p.A. Computational Material Scientist Advanced Computing & Software Development Viale Italia, 77 20020 Lainate - MI - ITALY Tel. +39 02 93178316 Fax +39 02 93178460 federico_gallino at saes-group.com www.saesgetters.com This message and any attachments are confidential, privileged and/or otherwise protected from disclosure to anyone other than its intended recipient(s). Any unauthorized review, use, reproduction, disclosure, modification and/or dissemination is strictly prohibited. If you are not the intended recipient, please notify the sender by replying immediately to this message. Do not disclose the contents to any other person, use it for any purpose, or store or copy the information in any medium.
