On Jun 25, 2011, at 15:49 , tian kong wrote: > > what i need is A?B=C. i don't know if i can choose ibrav=6 or 7, > and should i need to change the atoms position after i choose > ibrav=6 or 7 ?
set ibrav=0, provide the lattice vectors via the CELL_PARAMETERS card --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
