[Pw_forum] Another question about building a spinel structure

[Clark Lee]

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
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