[Pw_forum] atomic position problem with ibrav=1

[Elad Segev]

Dear QE users and developers,

I ran this SCF calc:

 &control
    calculation='scf'
    prefix='SnS888vc',
    pseudo_dir = '$PSEUDO_DIR/',
outdir='.'  ,
tstress = .true. ,
    tprnfor = .true. ,
    wf_collect=.true.
 /
 &system
    ibrav = 1, celldm(1) =11.075691644904, nat= 8, ntyp= 2,
    ecutwfc = 75.0
 /
 &electrons
    diagonalization='david'
    conv_thr = 1.0e-8
    mixing_beta = 0.7
 /
 &ions
    ion_dynamics= 'bfgs'
 /
 &cell
    cell_dynamics= 'bfgs'
 /
ATOMIC_SPECIES
 Sn 118.71 Sn.pbe-hgh.UPF
 S 32.066 S.pbe-hgh.UPF
ATOMIC_POSITIONS (alat)
Sn    0     0     0
Sn    1/2   1/2   0
Sn    0     1/2   1/2
Sn    1/2   0  1/2
S     1/2   1/2   1/2
S     0     0  1/2
S     1/2     0   0
S     0     1/2   0
K_POINTS (automatic)
 16 16 16 0 0 0

It crashed with the following error:

[eval_infix.c] A parsing error occurred
helper string:
          1/2
error code:
Error: invalid token:

[eval_infix.c] A parsing error occurred
helper string:
          1/2
error code:
Error: invalid token:

I don't understand what is the problem,
Thanks in advance,

Elad Segev, Ph.D candidate
IKI for nanoscale science and technology
Israel
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