On 01.04.2015 11:10, bayarr temuujin wrote:
Error in DSTART
  'ROTDEF' - no symmetry operation found.
I am attaching structure file.

I first start with nn program:
x nn
specify nn-bondlength factor: (usually=2) [and optionally dlimit, dstmax (about
  1.d-5, 20)]
2
 DSTMAX:   238.490731650000
 iix,iiy,iiz          34          34           2   243.510210000000
   243.510210000000        429.713030000000
 nnn too small
0.008u 0.008s 0:01.16 0.0%      0+0k 0+24io 0pf+0w

So, it sees an error.
(From program nn:
  PARAMETER (NNN=100000)
!     NNN     NUMBER OF NEIGHBOURS)

> In my opinion structure seems good and x
> symmetry showed no error but here it says no symmetry operation found.

x symmetry gives an output with:
 ---------- ERROR ------------------
ERROR: (multiplicity of atom 1 )*(number of pointgroup-operations)
 ERROR: is NOT = (number of spacegroup-operations)
 ERROR: MULT:           2  ISYM:           4  NSYM           4
 ERROR: Check your struct file with    x sgroup
 ---------- ERROR ------------------

x sgroup  changes struct file.

Look in your structure in xcrysden, is it what you want to have? Check distances between atoms.

Best wishes
  Lyudmila Dobysheva
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