[QE-users] not orthogonal operation

[XI Wenlong]

Dear QE users:

When I did the calculation, I ran into this problem:
     task #         0
     from checkallsym : error #         2
     not orthogonal operation

Here is my input file:
&CONTROL
  calculation = 'vc-relax'
  etot_conv_thr =   2.5000000000d-04
  forc_conv_thr =   1.0000000000d-04
  outdir = './out/'
  prefix = 'Na1.000MoS2-1T'
  pseudo_dir = './pseudo/'
  tprnfor = .true.
  tstress = .true.
  verbosity = 'high'
/
&SYSTEM
  degauss =   0.01
  ecutrho =   2.4000000000d+02
  ecutwfc =   3.0000000000d+01
  ibrav = 0
  nat = 32
  nosym = .false.
  nspin = 2
  ntyp = 3
  occupations = 'smearing'
  smearing = 'gaussian'
  starting_magnetization(1) =  0.1
  starting_magnetization(2) =  0.1
  starting_magnetization(3) =  0.1
  vdw_corr='grimme-d2'
  tot_charge=0
/
&ELECTRONS
  conv_thr =   1.D-6
  electron_maxstep = 80
  mixing_beta =   4.0000000000d-01
/
 &ions
    ion_dynamics='bfgs'
/
 &cell
    cell_dynamics='bfgs',
    press=0.0,
    press_conv_thr=0.5,
/
ATOMIC_SPECIES
Mo     95.96 Mo.pbe-spn-rrkjus_psl.0.2.UPF
Na     22.98977 Na.pbe-spn-rrkjus_psl.0.2.UPF
S      32.065 S.pbe-van_bm.UPF
ATOMIC_POSITIONS angstrom
Mo    0.000000    0.000000    3.246761
Mo    0.000000    0.000000    9.740283
Mo   -1.599703    2.770765    3.246761
Mo   -1.599703    2.770765    9.740283
Mo    3.199404    0.000000    3.246761
Mo    3.199404    0.000000    9.740283
Mo    1.599702    2.770765    3.246761
Mo    1.599702    2.770765    9.740283
 S    0.000003    1.847175    1.660640
 S    0.000003    1.847175    8.154162
 S   -1.599700    4.617940    1.660640
 S   -1.599700    4.617940    8.154162
 S    3.199407    1.847175    1.660640
 S    3.199407    1.847175    8.154162
 S    1.599705    4.617940    1.660640
 S    1.599705    4.617940    8.154162
 S    1.599699    0.923590    4.832882
 S    1.599699    0.923590   11.326404
 S   -0.000004    3.694356    4.832882
 S   -0.000004    3.694356   11.326404
 S    4.799103    0.923590    4.832882
 S    4.799103    0.923590   11.326404
 S    3.199401    3.694356    4.832882
 S    3.199401    3.694356   11.326404
Na    2.399553    1.385383    6.493522
Na    2.399553    1.385383    0.000000
Na    0.799851    4.156148    6.493522
Na    0.799851    4.156148    0.000000
Na   -0.799851    1.385383    6.493522
Na   -0.799851    1.385383    0.000000
Na   -2.399554    4.156148    6.493522
Na   -2.399554    4.156148    0.000000
K_POINTS automatic
6 6 3 0 0 0
CELL_PARAMETERS angstrom
      6.3988100000       0.0000000000       0.0000000000
     -3.1994050000       5.5415310000       0.0000000000
      0.0000000000       0.0000000000      12.9870440000

I want to know how to solve this problem, thanks a lot for your help!

Regards,
Wenlong
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