[Wien] bug in spacegroup.f

[Gavin Abo]

Please check, but I think one of the angles (alpha, beta, or gamma) 
should not equal 90 for spacegroup 15.

On 11/12/2012 10:32 AM, Ronald Cohen wrote:
> On Mon, Nov 12, 2012 at 12:32 PM, Ron Cohen <rcohen at ciw.edu> wrote:
>> I am getting the following error by cif2struct for a CIF file
>> generated by findsym:
>>
>>   Error - cell parameters are not consistent with space group
>>           try another space group or change cell parameters
>> wrong Grupa: C2/c
>>
>> The cell parameters though are not inconsistent with C2/c. They are:
>>
>> data_findsym-output
>>
>> _symmetry_space_group_name_H-M "C2/c"
>> _symmetry_Int_Tables_number 15
>>
>> _cell_length_a       2.83215
>> _cell_length_b       5.02400
>> _cell_length_c       4.90069
>> _cell_angle_alpha   90.00000
>> _cell_angle_beta   90.00000
>> _cell_angle_gamma    90.0
>>
>> Exchanging b and c doesn't help, nor does changing the 90 degrees for
>> beta or gamma. I have looked at spacegroup.f but it is rather opaque
>> in PitSym and it is not clear what it is looking for.
>>
>> Sincerely,
>>
>> Ron
>>
>>
>> --
>> Ronald Cohen
>> Geophysical Laboratory
>> Carnegie Institution of Washington
>> 5251 Broad Branch Rd., N.W.
>> Washington, D.C. 20015
>> cohen at gl.ciw.edu
>
>