On Jan 23, 2011, at 12:54 , xirainbow wrote: > The three translational modes are about 70cm^-1 in paramagnetic > bulk material. > How can I reduce them below 10cm^-1?
apply acoustic sum rule to the calculated dynamical matrices. It is almost impossible to obtain from the linear response calculation acoustic modes at q=0 with frequencies close to zero. P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
