[Pw_forum] Characters table for R-3c

[Marino Vetuschi Zuccolini]

Dear Andrea,
this is the input file that originates the char table in the output.

m.

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On 09/set/08, at 13:56, Dal Corso Andrea wrote:

> 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 -
>> Universit?  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
> SISSA, Via Beirut 2/4               Fax. 0039-040-3787528
> 34014 Trieste (Italy)               e-mail: dalcorso at sissa.it
>
>
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*******************************************************
Marino Vetuschi Zuccolini
zucco at dipteris.unige.it
Researcher / Geochemist
Laboratory of Geochemistry

DIPartimento per lo studio della TErra e delle sue RISorse -  
Universit?  di Genova
Tel. ++39 010 3538136 Fax. ++39 010 352169
Corso Europa 26, 16132 - Genova - Italy