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[Andrey Chibisov <andreichibisov@yandex.ru>]

Hello, Dear colleagues!
I'm calculation of the cubic BaTiO3 with 2x2x2 cell. But log file write:
chkinp: ERROR -
  Atoms number   1 and  16 are located at the same point of the unit cell
  (periodic images are taken into account).
  Action: change the coordinate of one of these atoms in the input file. 

Can you help me?
My input file:

#BaTiO3 2x2x2

# opcell  1
# ionmov  3
# dilatmx 1.05
  ecutsm  0.5

 acell   3*15.000943
# rprim   1 0 0 0 1 0 0 0 1 
 nsym 1

 diemac 12.0d0
 diemix 1.0d0
 ecut 25
 enunit 1  
# intxc 1

#k-point
nkpt  4
kpt  0.0 0.0 0.0
     0.5 0.0 0.0
     0.5 0.5 0.0
     0.5 0.5 0.5
wtk  1/8 3/8 3/8 1/8
 ngkpt 1 1 1 

 natom  40
 nband 98
# ntime 500
 nstep 500
 # nsym 1
 ntypat  3
 occopt  1
 nsppol  2  
       
#Here is the object
xred   .00000000000000D+00   .00000000000000D+00   .00000000000000D+00
          .50000000000000D+00   .50000000000000D+00   .50000000000000D+00
          .50000000000000D+00   .50000000000000D+00   .00000000000000D+00
          .50000000000000D+00   .00000000000000D+00   .50000000000000D+00
          .00000000000000D+00   .50000000000000D+00   .50000000000000D+00
   
 natrd 5  # 5 coordinates to be read
 nobj 1   # Just one object
 objan 5  # 5 atoms in this object
 objaat 1 2 3 4 5 # Here are the ID numbers of the atoms of the object
 objarf 2 2 2 # Repeated 8 times
 objatr  0.0000000000  0.0000000000  0.0000000000    #No initial translation
         7.5004715000  0.0000000000  0.0000000000    #Translation of the 
first repetition factor
         0.0000000000  7.5004715000  0.0000000000    #Translation of the 
second repetition factor
         0.0000000000  0.0000000000  7.5004715000     #Translation of the 
third repetition factor

 toldfe 1.0d-6 
 typat  1 2 3 3 3
  znucl 56  22  8 

-- 
Andrey Chibisov.
Structural Ceramics Laboratory
Institute of Geology and Nature Management 
Far Eastern Branch of Russian Academy of Sciences