On Nov 27, 2011, at 6:07 , Tribhuwan Pandey wrote: > amass(1)=28.0855 > [...] > amass(64)=28.0855
amass should specified for each type of atoms. There is just one type of atoms, not 64, in your input > I am a new user to quastum espresso . new users need to read the documentation more than old users 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
