http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg02749.html

On 9/10/2015 7:33 AM, Muhammad Sajjad wrote:
Actually I downloaded structure from COD base. So you are write its space group is fd3m and structure is Title
F   LATTICE,NONEQUIV.ATOMS:  1 227_Fd-3m
MODE OF CALC=RELA unit=ang
 10.263031 10.263031 10.263031 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
ATOM  -1:X= 0.00000000 Y=0.25000000 Z=0.25000000
ATOM  -1:X= 0.25000000 Y=0.25000000 Z=0.00000000
ATOM  -1:X= 0.25000000 Y=0.00000000 Z=0.25000000
Si         NPT=  781  R0=0.00010000 RMT=    1.8000   Z: 14.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
   0      NUMBER OF SYMMETRY OPERATIONS .

But strain application ((a =5.49 , b= 5.43 , c = 5.38)) does not allow fd-3m, definitely symmetry changed. If is make it primitive, it will be ok or not?
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