On Nov 15, 2012, at 20:56 , pari shok wrote: > I use pp.x to get the difference of the charge densities [...] > However, it does not work for the supercells of Si/SiO2 with > and without one additional electron. It keeps giving me > "incompatible celldm" error; the supercell dimensions are > identical, though.
somebody posted the same question (to which I answered) a few days ago > 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
