[Pw_forum] Scf calculation help

[Tribhuwan Pandey]

Hi all ,

          I am doing scf calculation for silicon on 2*2*2 supercell,but
pw.x code showing me following error

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     task #         0
     from check_atoms : error #         1
     atoms #   1 and #   4 overlap!
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

Am generating supercell in crystal maker.I have tried different combination
of supercell but each time i am getting the same error.
for the error quoted above my atomic position are as follows

ATOMIC_POSITIONS
Si     0.000000     0.000000     0.000000
Si     0.500000     0.000000     0.000000
Si     0.000000     0.500000     0.000000
Si     0.500000     0.500000     0.000000
Si     0.000000     0.000000     0.500000
Si     0.500000     0.000000     0.500000
Si     0.000000     0.500000     0.500000
Si     0.500000     0.500000     0.500000
Si     0.125000     0.125000     0.125000
Si     0.625000     0.125000     0.125000
Si     0.125000     0.625000     0.125000
Si     0.625000     0.625000     0.125000
Si     0.125000     0.125000     0.625000
Si     0.625000     0.125000     0.625000
Si     0.125000     0.625000     0.625000
Si     0.625000     0.625000     0.625000
K_POINTS {automatic}
4 4 4 0 0 0


I am  newbie to quantum espresso .i have no idea how to fix it .
Can any one help me in this regard.

thanking you


Warm Regards
Tribhuwan pandey

IISc Bangalore

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