[Pw_forum] Error while parsing atomic positions

[Kajal Jindal]

Hi,

I am trying to do the scf calculation on unit cell GaAs. But i am
continously observing an error "Error while parsing atomic positions" while
running it. I have checked the program several times but still not able to
troubleshoot. I am attaching my input and output file result along.

*input file*

&control
    calculation='scf'
    restart_mode='from_scratch'
    prefix='GaAs'
    wf_collect=.true.,
    pseudo_dir = '/root/pseudo',
    outdir='/root/poonamGaAs/temp',

 /
 &system
    ibrav=2, nat=10, ntyp= 2,celldm(1) = 10.20,
    ecutwfc = 25.0,ecutrho=300, occupations ='fixed',

 /
 &electrons
    mixing_beta = 0.1
    mixing_mode = 'plain'
    conv_thr =  1.0e-5
    diagonalization = 'david'
 /

ATOMIC_SPECIES
Ga  69.72  Ga.pbe-n-van.UPF
As  74.92  As.pbe-n-van.UPF
ATOMIC_POSITIONS {crystal}
Ga 0.O  0.0  1.0
Ga 1.0  0.0  0.0
Ga 0.5  0.0  0.5
As 0.75 0.25 0.75
As 0.25 0.25 0.25
Ga 0.5  0.5  1.0
Ga 1.0  0.5  0.5
As 0.25 0.75 0.75
As 0.75 0.75 0.25
Ga 0.0  1.0  0.0


K_POINTS {automatic}
4 4 2 0 0 0

*Output file is
*[eval_infix.c] A parsing error occurred
helper string:
0.O

error code:
Error: invalid token: O


     Program PWSCF v.4.3.1      starts on 25Sep2012 at 15:39:46

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details
at
     http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3
     Waiting for input...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from card_atomic_positions : error #         1
     Error while parsing atomic position
card.

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

I have tried running this file with all the versions of quantum espresso
but error is same..
I will be highly thankful if somebody can give some suggestion.

Thanks and Regards,
Kajal Jindal
University of Delhi
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