[Pw_forum] Re: (瑞星提示-此邮件可能是垃圾邮件)Re: [Pw_forum] Another question about building a spinel structure

[Chaohao Hu]

Sorry, The set of "ibrav=1" can not visualize this structure rightly. The conventional cell for this spinel structure should contain 56 atoms. The choice of "ibrav=2" and "ATOMIC_POSITIONS {crystal}" should be rational.
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 suppose the case of ibrav=  2
could probably remove your trouble.
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