[Pw_forum] error information

Paolo Giannozzi giannozz at nest.sns.it
Fri Aug 29 18:17:20 CEST 2003


On Friday 29 August 2003 16:52, Zhenyu Li wrote:
> Dear Paolo

??? you mean "Dear Stefano" ...

> It's really the case. The experimental cell parameters are
> a=2.84 A and c=10.811 A.

funny structure. Anyway: my distance checker yields
for your job the following nearest-neighbor distances:
O-Co 1.29A; Na-Na, O-O, Co-Co : 1.42A; Na-O 1.91 A.
It doesn't look right to me: they are way too small.

Paolo

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Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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