<div dir="ltr"><div>There is nothing visibly wrong in your input file (it works for me), but please consider that invisible or barely visible special characters, e.g. <CR><LF> characters, tabulators, non-standard windows ' and " characters, may produce errors on read <br></div><div><br></div><div>Paolo<br></div><div><br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Jun 17, 2021 at 7:42 PM Satyasiban Dash ph19d005 <<a href="mailto:ph19d005@smail.iitm.ac.in">ph19d005@smail.iitm.ac.in</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div><table cellpadding="0"><tbody><tr><td colspan="3"><table cellpadding="0"><tbody><tr><td><div id="gmail-m_-4898763840591568287gmail-:1bm"><img src="https://mail.google.com/mail/u/1/images/cleardot.gif" alt=""></div></td></tr></tbody></table></td></tr></tbody></table></div><div><div id="gmail-m_-4898763840591568287gmail-:1ds"><div id="gmail-m_-4898763840591568287gmail-:1dr"><div dir="ltr"><div>Dear members,</div><div>I
have been trying to calculate phonon spectra using qe-6.7 .Although I
am able to calculate scf , I am facing a namelist error in case of ph.x .</div><div>Please point out what's going wrong</div><div>scf file</div><div><br></div><div>&CONTROL<br> calculation = 'scf'<br> etot_conv_thr = 4.0000000000d-05<br> forc_conv_thr = 1.0000000000d-04<br> outdir = './'<br> prefix = 'zn'<br> pseudo_dir = './'<br> tprnfor = .true.<br> tstress = .true.<br> verbosity = 'low'<br>/<br>&SYSTEM<br> degauss = 7.3498618000d-03<br> ecutrho = 400<br> ecutwfc = 50<br> ibrav = 0<br> nat = 4<br> nosym = .false.<br> ntyp = 2<br> occupations = 'smearing'<br> smearing = 'cold'<br><br>/<br>&ELECTRONS<br> conv_thr = 8.0000000000d-10<br> electron_maxstep = 80<br> mixing_beta = 4.0000000000d-01<br>/<br>ATOMIC_SPECIES<br>O 15.9994 O.pbe-n-kjpaw_psl.0.1.UPF<br>Zn 65.38 Zn_pbe_v1.uspp.F.UPF<br>ATOMIC_POSITIONS crystal<br>Zn 0.3333333333 0.6666666667 0.0005480000 <br>Zn 0.6666666667 0.3333333333 0.5005480000 <br>O 0.3333333333 0.6666666667 0.3797620000 <br>O 0.6666666667 0.3333333333 0.8797620000 <br>K_POINTS automatic<br>8 8 6 0 0 0<br>CELL_PARAMETERS angstrom<br> 3.2891020487 0.0000000000 0.0000000000<br> -1.6445510243 2.8484459298 0.0000000000<br> 0.0000000000 0.0000000000 5.3068210000</div><div>ph file</div><div><br></div><div>&inputph<br><br> prefix= 'zn'<br> outdir = './'<br> amass(1)= 65.38<br> amass(2)= 15.9994<br> fildyn= 'zn.dyn'<br> ldisp= .true.<br> tr2_ph= 1.0d-14<br> fildvscf ='zndv'<br> electron_phonon ='simple'<br> nq1= 4<br> nq2= 4<br> nq3= 2<br><br>/ <br></div><div><br></div><div>output <br></div><div><br></div><div>Error in routine read_namelists (1):<br> <br></div><div>bad line in namelist &inputph: "/" (error could be in the previous line)</div><div><br></div><div><br></div><div>Thank You.</div><div><br></div><div>Satyasiban Dash</div><div>Research Scholar</div><div>Dept. of Physics<br></div><div>IIT Madras<div><br><br></div></div></div></div></div></div></div>
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