The crystallographic structure and lattice phonon frequencies of neutr
al bis(ethylendithio)tetrathiafulvalene (BEDT-TTF) as a function of te
mperature have been computed within a quasi-harmonic lattice dynamics
framework. The results are compared with the known crystal structure a
nd with the phonon frequencies obtained from polarized Raman spectra o
n single crystals. (C) 1997 Published by Elsevier Science B.V.