[Wien] 'symmetry' in 12.1

[Gavin Abo]

> gamma not equal 90

Not a problem.  In this case, the lattice angle gamma = alpha(3) = 
162.864562 degrees (monoclinic: alpha = 90, beta = 90, gamma not equal 90).

 > alpha(3) .gt. 91.0; reset to 90.1

This informs that "x symmetry" changes the value of gamma from the 
162.864562 to 90.1 for its internal calculations 
(SRC_symmetry/rstruc.f).  Someone else would have to comment on why 
symmetry uses 90.1 for this lattice type.

On 9/20/2012 4:05 PM, Zhu, Jianxin wrote:
> After I run "x patchsymm" and rename test.struct_new to test.struct, and
> then run "x symmetry", I get the following
>
>> x symmetry
>   gamma not equal 90
>   alpha(3) .gt. 91.0; reset to 90.1
> 0.002u 0.005s 0:00.02 0.0%      0+0k 0+1io 0pf+0w
>
>
> What does the above info mean?
>
> The original (copied/pasted out of the Stefan's message) and the one
> renamed from test.struct_new are attached here.