On Feb 3, 2012, at 6:49 , mohnish pandey wrote: > a =15.95 A? b =15.95 A? > c =19.53 A? > alpha=144.73 ? beta =90 ? > gamma =90 ? > With this cell you can use the option ibrav = 5 ( celldm4 = cos > (alpha) ).
ibrav=5 is trigonal; this looks like monoclinic P (ibrav=12 or -12, detailed description in file INPUT_PW.*) 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
