[Pw_forum] error information

Zhenyu Li zyli at sina.com
Sat Aug 30 04:32:38 CEST 2003


Dear All

	Thank you for you help, I find that I have really made a 
mistake in my coordinates.

	And, I am sorry to Prof. Stefano de Gironcoli for 
the mistake.

Zhenyu LI 

	

======= 2003-08-29 18:17:00 您在来信中写道:=======

>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
>
>-- 
>Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
>Scuola Normale Superiore    Phone:   +39/050509412
>Piazza dei Cavalieri 7      Fax:     +39/050509417, 050563513     
>I-56126 Pisa, Italy         Office:  Lab. NEST, Via della Faggiola 19
>
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>
>.

= = = = = = = = = = = = = = = = = = = =
			

        致
礼!
 
				 
        Zhenyu Li
        zyli at sina.com
          2003-08-30

=================================================
   Zhenyu LI
   Ph.D. Candidate
   Open Laboratory of Bond Selective Chemistry,
   University of Science and Technology of China,
   Hefei, Anhui, 230026,
   People's Republic of China
   Tel.: 86-551-3603748,3603418
   Fax.: 86-551-3602969
   http://www.bsc.ustc.edu.cn/~zyli/whoami/
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