<div dir="ltr">respected  sir ,<br><br>i calculating phonon for Na2S, in parallel process, the input files are <br><span style="color: rgb(51, 51, 255);"><a href="http://na2s.scf.in/" target="_blank">na2s.scf.in</a> </span><br style="color: rgb(51, 51, 255);">
<br><br> &CONTROL<br>               calculation = 'scf' ,<br>
              restart_mode = 'from_scratch' ,<br>                    outdir = './OUT',<br>                pseudo_dir = '/root/bipul/espresso-4.0.1/<div dir="ltr">pseudo/Na2S',<br>                     prefix = 'Na2S',<br>

             etot_conv_thr = 1.0d-5 ,<br>             forc_conv_thr = 1.0d-4 ,<br>                   tstress = .true. ,<br>                   tprnfor = .true. ,<br>                        dt = 80<br> /<br> &SYSTEM<br>

                     ibrav = 2,<br>                 celldm(1) =  12.41600,<br>                       nat = 3,<br>                      ntyp = 2 ,<br>                   ecutwfc = 28,<br>                   ecutrho = 600,<br>

                  occupations = 'smearing' , smearing = 'methfessel-paxton',<br>                   degauss = 0.01<br> /<br> &ELECTRONS<br>               mixing_beta = 0.5 ,<br>            conv_thr =  1.0d-8<br>

           diagonalization = 'david' ,<br> /<br> &IONS<br> /<br>ATOMIC_SPECIES<br> S  32.066  S.pw91-van_ak.UPF<br> Na 22.988  Na.pw91-sp-van_ak.UPF<br>ATOMIC_POSITIONS (crystal)<br>S  0.0 0.0 0.0<br>Na 0.25 0.25 0.25<br>

Na 0.75 0.75 0.75<br>K_POINTS automatic<br>  8 8 8 1 1 1<br><br clear="all"><span style="color: rgb(204, 0, 0);">and <a href="http://na2s.ph.in/" target="_blank">na2S.ph.in</a></span><br><br> phonons of Na2S<br> &inputph<br>
   tr2_ph=1.0d-12,<br>
   alpha_mix(1)=0.7,<br>    prefix='Na2S',<br>!  fildvscf='na2sdv',<br>  amass(1)=32.066,<br>  amass(2)=22.988,<br>  outdir='./OUT',<br>  fildyn='na2s.dyn',<br>! elph=.true.,<br>!  trans=.true.,<br>

  ldisp=.true.<br>  nq1=4, nq2=4, nq3=4<br> /<br><br>first ,i run mpd & command then we run <a href="http://na2s.scf.in/" target="_blank">na2s.scf.in</a> file with mpirun -np 2 /root/bipul/parallel/esspresso-cvs/bin/pw.x command<br>
this file will be run<br>
but when i  run <a href="http://na2s.ph.in/" target="_blank">na2s.ph.in</a> file with this command , it show error <br> <span style="color: rgb(255, 0, 0);">from  read_namelists  : error #         1</span><br style="color: rgb(255, 0, 0);">

<span style="color: rgb(255, 0, 0);">      reading namelist control</span> <br style="color: rgb(255, 0, 0);"><br>sir , i check all things but, i can not find where is mistake <br>any one suggest me where is mistake  <br>
<br>thank you sir</div><br clear="all"><br>-- <br>Premlata Pandit<br>Ph.d. student,<br>Barkatullah university,<br>Bhopal 462026,<br>MP, India <br>
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