On May 11, 2010, at 15:17 , Bertrand SITAMTZE wrote: > Please could somebody indicates a postprocessing code > for extracting the mean square displacement(MSD) of > atoms from QE, cp.x ouput?
you might try to modify cppp.x (in CP/fpmdpp.f90, documentation in Doc/INPUT_CPPP*) to ehat you need P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
