[Wien] question about symmetry

[Hong Jiang]

Dear Wien2k developers and users,
I have a question about the use of the symmetry in wien2k. I am 
calculating a tetragonal lattice with the symmetry of P42/nmc. But for 
some special value of the internal lattice parameter,
the lattice symmetry becomes I4/mmm. I want to do calculations still 
with P42/nmc, but apparently using init_lapw in a standard way does not 
allow me to that.
Even though init_lapw does allow me to use original struct file after 
running "sgroup",  "symmetry"  does not, which stops with the warning 
message

   STOP: YOU MUST MOVE THE ORIGIN OF THE UNIT CELL (see  tetra.outputs )

I found one way to avoid that by
   1)   x -f tetra symmetry
   2)   init_lapw -s lstart  -f tetra

The first step is necessary because when generating *.in2, init_lapw 
requires the output from symmetry, *.in2_sy .
I am wondering  whether the way I did is legitimate. 
If the answer is yes, should "symmetry" in init_lapw also allow the user 
to choose the original struct instead of "STOP: YOU MUST MOVE THE ORIGIN 
OF THE UNIT CELL" ?
Apparently the inquiry after 'symmetry' in init_lapw
     -----> continue with lstart or edit the tetra.struct_st file (c/e/x)
is not working in the way as it is supposed to do.  
Thank you very much in advance.

Best regards,
   Hong




 >   sgroup      (11:26:15) 0.000u 0.000s 0:00.01 0.0%   0+0k 0+0io 0pf+0w
  Names of point group: 4/mmm   4/m 2/m 2/m    D4h
  Names of point group: -4m2   -4m2   D2d
Number and name of space group: 139 (I 4/m m m)
warning: !!! Bravais lattice has changed.
-----> check in  tetra.outputsgroup  for proper symmetry, compare
       with your struct file and later with  tetra.outputs
       sgroup has also produced a new struct file based on your old one.
       If you see warnings above, consider to use the newly generated
       struct file, which you can view (edit) now.
-----> continue with symmetry or edit tetra.struct_sgroup ? (c/e)
c

--- symmetry ---

 >   symmetry    (11:26:22) 0.001u 0.002s 0:00.06 0.0%   0+0k 0+0io 0pf+0w
WARNING: YOU MUST MOVE THE ORIGIN (see  tetra.outputs )
-----> check in  tetra.outputs  the symmetry operations,
       the point symmetries and compare with results from sgroup
-----> continue with lstart or edit the tetra.struct_st file (c/e/x)
c
STOP: YOU MUST MOVE THE ORIGIN OF THE UNIT CELL (see  tetra.outputs )