[Pw_forum] Characters table for R-3c

[Dal Corso Andrea]

On Tue, 2008-09-09 at 11:53 +0200, Marino Vetuschi Zuccolini wrote:
> Hello to users,
> 
> I'm working on a carbonate with R-3c (hexagonal axes) structure and  
> the char table is reported as below in the output file:
> [...]
>       point group S_6 (-3)
>       there are  6 classes
>       the character table:
> 
>         E     C3    C3^2  i     S6^5  S6
> A_g    1.00  1.00  1.00  1.00  1.00  1.00
> E_g    1.00 -0.50 -0.50  1.00 -0.50 -0.50
> E_g*   1.00 -0.50 -0.50  1.00 -0.50 -0.50
> A_u    1.00  1.00  1.00 -1.00 -1.00 -1.00
> E_u    1.00 -0.50 -0.50 -1.00  0.50  0.50
> E_u*   1.00 -0.50 -0.50 -1.00  0.50  0.50
>       imaginary part
> A_g    0.00  0.00  0.00  0.00  0.00  0.00
> E_g    0.00  0.87 -0.87  0.00  0.87 -0.87
> E_g*   0.00 -0.87  0.87  0.00 -0.87  0.87
> A_u    0.00  0.00  0.00  0.00  0.00  0.00
> E_u    0.00  0.87 -0.87  0.00 -0.87  0.87
> E_u*   0.00 -0.87  0.87  0.00  0.87 -0.87
> 
>       the symmetry operations in each class:
>       E        1
>       C3       2
>       C3^2     3
>       i        4
>       S6^5     5
>  >>     S6^5     6 <<
> [...]

Please, provide the input file. You have probably found a bug.

Andrea


> 
> The class it seems to be recognized correctly but the count of the sym  
> op are not. Is it correct?
> 
> note: I'm using serial espresso 4.0 cvs 2 on macosx.
> 
> thanks to all
> 
> marino
> 
> 
> 
> *******************************************************
> Marino Vetuschi Zuccolini
> zucco at dipteris.unige.it
> Researcher / Geochemist
> Laboratory of Geochemistry
> 
> DIPartimento per lo studio della TErra e delle sue RISorse -  
> Università  di Genova
> Tel. ++39 010 3538136 Fax. ++39 010 352169
> Corso Europa 26, 16132 - Genova - Italy
> 
> 
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-- 
Andrea Dal Corso                    Tel. 0039-040-3787428
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