On Mon, 2013-05-13 at 15:06 -0600, Yong Xue wrote: > I have calculated the scf, however, in the second step, for the > calculation of phonons, effective charges, and Raman coefficients at > wavevector q=(0,0,0), I always get empty dyn file though I can obtain > the output file normally. I used H_blyp-van_ak.UPF , > C_blyp-van_ak.UPF and O_blyp-van_ak.UPF pseudopotential files.
Calculation of Raman coefficients with ultrasoft PP is not implemented, I think P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
