On Jan 31, 2008, at 16:09 , Hashem Al-Yamani wrote: > > The oxygen input file was : > [...] > ibrav=1, > celldm(1)=14.0, > [...] > And the whole system input file was : > [...] > ibrav = 6, > celldm(1) = 8.6714, > celldm(3) = 6.923880978
you cannot plot differences between charge densities calculated for different unit cells Paolo --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
