[Pw_forum] ph.x problem

[Maedeh Zahedifar]

Dear all,

I want to calculate phonon with soc, but when I start to calculate ph.x,
the program gives me an error:

task #         1
     from checkallsym : error #         1
     some of the original symmetry operations not satisfied


this is my input file:
 &control
        calculation = 'scf'
        prefix='$PREFIX'
        pseudo_dir = '/home-fs4/hp0273/si/pseudo/'
        outdir='$TMP_DIR/'
        verbosity = 'high'
        wf_collect=.true.
 /
 &system
        ibrav=  4
        celldm(1) = 6.7460000000
        celldm(3) = 5.4150607768
        ecutwfc = 36
        ecutrho =550
        nat = 4
        ntyp = 1
        occupations = 'smearing', smearing = 'mp', degauss = 0.02D0
        lspinorb = .true.
        noncolin = .true.
 /
 &electrons
        electron_maxstep = 200
        mixing_beta = 0.2
        mixing_mode = "local-TF"
        conv_thr    = 1.0d-7
 /
ATOMIC_SPECIES
Pb  207.1900   Pb.rel-pbe-dn-rrkjus_psl.0.2.2.UPF
ATOMIC_POSITIONS {crystal}
 Pb    0.00000000    0.00000000    0.27374760
 Pb   -0.33333000    0.33333000    0.42458253
 Pb    0.33333000   -0.33333000    0.57541747
 Pb    0.00000000    0.00000000    0.72625240
K_POINTS automatic
 16 16 1   0 0 0


 for phonon:
Phononen
&inputph
        prefix = '$PREFIX'
        outdir = '$TMP_DIR/'
        tr2_ph = 1.0d-14
        alpha_mix(1) = 0.3
        alpha_mix(10) = 0.2
        niter_ph = 100
        recover = .false.
        ldisp = .true.
        nq1 = 6, nq2 = 6, nq3 = 1
        amass(1) = 207.19,
        fildyn = '$PREFIX.dyn'
        reduce_io = .true.
/
would you please tell me what is the problem?

Best,
Maedeh Zahedifar
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20151028/eaa7c809/attachment.html>