Sorry, ibrav=1 On 11/10/06, Clark Lee <jibiaoli at gmail.com> wrote: > > Since the number of atomc specified is 14 for spinel structure, I supposethe > case of ibrav= 2 > could probably remove your trouble. > > Institute of Metal Research, Chinese Academy of Sciences--IMR > Wenhua Road, 72 > 110016, Shenyang, Liaoning (China) > Clark > > On 11/9/06, Chaohao Hu <chaohao2002 at 163.com> wrote: > > > > I am sorry for my careless mistake. "ATOMIC_POSITIONS" should be set to > > "crystal" > > option. Now this structure is OK. However, for the case of "ibrav= 0", I > > still > > can not solve it. > > > > > > -- > Standing on the shoulders of Newton
-- Standing on the shoulders of Newton -------------- next part -------------- An HTML attachment was scrubbed... URL: /pipermail/attachments/20061110/2ffe53cf/attachment.htm
