<div>Dear QE community,</div><div>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.</div><div>... ...</div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> task # 0<br> from d_matrix : error # 2<br> D_S (l=3) for this symmetry operation is not orthogonal<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br></div><div><div style="font-size:14px;font-family:Verdana;color:#000;"><div><i><font color="#0000ff" face="Times New Roman" size="2"><b><br></b></font></i></div><div><i><font color="#0000ff" face="Times New Roman" size="2"><b>Dr. Jibiao Li, Lecturer</b></font></i></div><div><i><font color="#0000ff" face="Times New Roman" size="2"><b>Department of Material Science and Engineering</b></font></i></div><div><i><font color="#0000ff" face="Times New Roman" size="2"><b>Yangtze Normal University</b></font></i></div><div><i><font face="Times New Roman"><font size="2"><font color="#0000ff"><b><span style="text-align: left; text-transform: none; line-height: 21px; text-indent: 0px; letter-spacing: normal; font-variant: normal; text-decoration: none; word-spacing: 0px; display: inline !important; white-space: normal; orphans: 2; float: none; -webkit-text-stroke-width: 0px; background-color: transparent;">Juxian Dadao 16#,</span> Fuling, Chongqing, China</b></font></font></font></i></div><div><i><font color="#0000ff" face="Times New Roman" size="2"><b>Email: jibiaoli@foxmail.com, jibiao.li@hotmail.com</b></font></i></div><div><i><font color="#0000ff" face="Times New Roman" size="2"><b>Homepage: https://www.researchgate.net/profile/Jibiao_Li</b></font></i></div>
</div></div><div> </div><div>Sb_dm.scf.inp</div><div> &CONTROL<br> calculation = 'scf' ,<br> restart_mode = 'from_scratch' ,<br> outdir = './' ,<br> pseudo_dir = '/home/jibiaoli/pseudo/' ,<br> prefix = 'Sb_dm' ,<br> verbosity = 'high',<br> forc_conv_thr = 1.0D-5,<br> etot_conv_thr = 1.0D-5<br> tstress = .true.,<br> tprnfor = .true.,<br> /<br> &SYSTEM<br> ibrav = 0,<br> celldm(1) = 8.42227118,<br> nat = 4,<br> ntyp = 1,<br> ecutwfc = 41 ,<br> ecutrho = 410 ,<br> occupations = 'smearing' ,<br> degauss = 0.05D0 ,<br> smearing = 'gauss' ,<br> assume_isolated = '2D' ,<br> vdw_corr = 'grimme-d2' ,<br> /<br> &ELECTRONS<br> conv_thr = 1d-11 ,<br> electron_maxstep = 299,<br> mixing_beta = 0.3D0 ,<br> diagonalization = 'david' ,<br> /<br>CELL_PARAMETERS alat <br> 0.898776379 0.000000248 0.000000000<br> 0.000000322 1.462587168 0.000000000<br> 0.000000000 0.000000000 6.100000000<br>ATOMIC_SPECIES<br> Sb 121.75000 Sb.pbe-n-kjpaw_psl.1.0.0.UPF <br>ATOMIC_POSITIONS angstrom <br>Sb 0.000000722 2.950212061 0.000000000 0 1 0<br>Sb 0.000000000 0.000000000 0.000000000 0 0 0<br>Sb 2.002864550 3.259277146 2.008585632<br>Sb 2.002866497 6.209516437 2.008579946<br>K_POINTS automatic <br> 12 12 1 0 0 0 <br><br></div><div>Sb_dm.ph.disp.inp <br></div><div>Phonon dispersions for Sb_dm<br> &inputph<br> tr2_ph=1.0d-14,<br> prefix='Sb_dm',<br> outdir='./',<br> alpha_mix(1)=0.7,<br> fildyn='Sb_dm.disp.dyn',<br> ldisp=.true.,<br> nq1=6, nq2=6, nq3=1,<br> /<br><br></div><div><br></div>