On Sep 25, 2011, at 20:07 , henry odhiambo wrote: > from read_rho_xml : error # 1 > dimensions do not match
the FFT dimensions in scf and non-scf calculations must be the same. This implies that you should use the same cutoff(s) with the same cell. Note that different FFT libraries have different restrictions on allowed FFT dimensions. If you want to perform the non-scf calculation from scf data produced by a different machine, you may need to explicitly set the FFT dimensions in input 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
