[Wien] .struct file syntax

[Travis Sefzik]

Ahhhh!

Thanks Joachim - that was driving me crazy.


-Travis



On Jun 18, 2005, at 3:54 PM, buero at luitz.at wrote:

> On Sat, 18 Jun 2005, Travis Sefzik wrote:
>
>
>>
>> R   LATTICE,NONEQUIV.ATOMS:   2167_R-3c
>>
>> What I am interested in is what the "2" that proceeds my space  
>> group number means.
>>
>
> You have 2 inequivalent atoms in your structure ,-) The struct file  
> is a formated file to fortran, which means that the position of the  
> numers matter. Ugly, but that's fortran.
>
>
> Best
>   Joachim
>
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