On Jun 28, 2011, at 11:15 , GAO Zhe wrote: > Normally, ecutrho = ecutwfc * 4 is as the default setting of PWscf. > However, it is suggested that ecutrho be in the range of 8~12 times > of ecutwfc.
only for ultrasoft pseudopotentials 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
