[QE-users] Symmetry Errors of Phonon calculations appear

[Jibiao Li]

Dear QE community,
I am performing phonon calculations using the QE 6.4.1, but the calculations stopped with the error below. Please help me remove this error.
... ...
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     task #         0
     from d_matrix : error #         2
     D_S (l=3) for this symmetry operation is not orthogonal
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%



Dr. Jibiao Li, Lecturer
Department of Material Science and Engineering
Yangtze Normal University
Juxian Dadao 16#, Fuling, Chongqing, China
Email: jibiaoli at foxmail.com, jibiao.li at hotmail.com
Homepage: https://www.researchgate.net/profile/Jibiao_Li
 

 
Sb_dm.scf.inp
 &CONTROL
                 calculation = 'scf' ,
                restart_mode = 'from_scratch' ,
                      outdir = './' ,
                  pseudo_dir = '/home/jibiaoli/pseudo/' ,
                      prefix = 'Sb_dm' ,
                   verbosity = 'high',
               forc_conv_thr = 1.0D-5,
               etot_conv_thr = 1.0D-5
                     tstress = .true.,
                     tprnfor = .true.,
 /
 &SYSTEM
                       ibrav = 0,
                   celldm(1) = 8.42227118,
                         nat = 4,
                        ntyp = 1,
                     ecutwfc = 41 ,
                     ecutrho = 410 ,
                 occupations = 'smearing' ,
                     degauss = 0.05D0 ,
                    smearing = 'gauss' ,
             assume_isolated = '2D' ,
                    vdw_corr = 'grimme-d2' ,
 /
 &ELECTRONS
                    conv_thr = 1d-11 ,
            electron_maxstep = 299,
                 mixing_beta = 0.3D0 ,
             diagonalization = 'david' ,
 /
CELL_PARAMETERS alat 
   0.898776379   0.000000248   0.000000000
   0.000000322   1.462587168   0.000000000
   0.000000000   0.000000000   6.100000000
ATOMIC_SPECIES
   Sb  121.75000  Sb.pbe-n-kjpaw_psl.1.0.0.UPF 
ATOMIC_POSITIONS angstrom 
Sb       0.000000722   2.950212061   0.000000000    0   1   0
Sb       0.000000000   0.000000000   0.000000000    0   0   0
Sb       2.002864550   3.259277146   2.008585632
Sb       2.002866497   6.209516437   2.008579946
K_POINTS automatic 
  12 12 1   0 0 0 


Sb_dm.ph.disp.inp 

Phonon dispersions for Sb_dm
 &inputph
  tr2_ph=1.0d-14,
  prefix='Sb_dm',
  outdir='./',
  alpha_mix(1)=0.7,
  fildyn='Sb_dm.disp.dyn',
  ldisp=.true.,
  nq1=6, nq2=6, nq3=1,
 /
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