[Pw_forum] Problems starting pw.x

[Aloysius Soon Sze Lok]

Dear all,
As a newbie with this code, I have attached my raw input file. There must be 
something quite wrong with it as I could not get it started. Advice needed.

Many thanks.



-- 
Aloysius Soon SL
Postgraduate Student
Structural & Computational Chemistry
Chemistry Department
The University Of Auckland, New Zealand
Phone: +64 9 373 7599 ext 88291
Email: a.soon at auckland.ac.nz
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 &control
    calculation='scf'
    restart_mode='from_scratch'
    title='uranium_dioxide_3_layered_slab'
    pseudo_dir='/DATA/programs/PWscf/pseudo'
    prefix='uo2'
    tstress = .true.
    tprnfor = .true.
    disk_io='high'
 /
 &system
    ibrav=14
    a=3.8666, b=3.8666, c=18.9424, cosab=0.0, cosac=0.0, cosbc=-0.5
    nat= 9
    ntyp= 2
    ecutwfc = 25.0
    ecutrho = 150.0
    occupations='fixed'
 /
 &electrons
    diagonalization='cg'
    diago_cg_maxiter=100
    conv_thr = 1.0e-6
    mixing_beta = 0.7
 /
ATOMIC_SPECIES
 U 238.0 U_MT_PBE.UPF
 O 16.00 O_US_PBE.UPF
ATOMIC_POSITIONS angstrom
U     0.0000     0.0000     0.0000 
U     0.0000     2.2324    15.7853
U     1.9333     1.1162     3.1571
O     0.0000     0.0000    16.5746 
O     0.0000     2.2324     3.9476 
O     0.0000     2.2324    18.1525  
O     0.0000     0.0000     2.3678 
O     1.9333     1.1162    14.9948 
O     1.9333     1.1162     0.7899 
K_POINTS (automatic)
 2 2 2 0 0 0