In data 13 gennaio 2011 alle ore 19:47:54, pieremanuele canepa <pc229 at kent.ac.uk> ha scritto: > I wonder if the ph.x code prints out the atomic displacements due to the > vibrational mode.
It does: they are printed at the end of the fildyn file. After the frequency of the mode you find the displacements for each atom, on a line each (they are six numbers because they are in principle complex). Keep in mind that if 2 modes are degenerate the code's choice of eigenvector is not necessarily the most human-friendly one. best regards -- Lorenzo Paulatto post-doc @ IMPMC/UPMC - Universit? Paris 6 phone: +33 (0)1 44 27 74 89 www: http://www-int.impmc.upmc.fr/~paulatto/ previously (take note of the change!): phd student @ SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 www: http://people.sissa.it/~paulatto/
