Hi all <br>       I am doing phonon life time calculation for Silicon on a 2*2*2 supercell using Quantum Espresso.In phonon calculation at gamma point my Calculation is showing some error.<br><br>My Scf calculation input file is <br>


&control<br>    calculation='scf'<br>    restart_mode='from_scratch',<br>    !pseudo_dir='directory where ps<br>    !outdir='directory where large files are written/'<br>    pseudo_dir='./',<br>


    outdir='./',<br>    prefix='PH',<br>    !ldisp=.true.<br>/<br> &system<br>    ibrav=0,<br>    celldm(1)=20.40,<br>    nat=64, ntyp=1,<br>    ecutwfc =24.0<br> /<br> &electrons<br>    conv_thr =  1.0d-8<br>


    mixing_beta = 0.7<br>/<br> CELL_PARAMETERS<br>      1.00  0.00  0.00<br>l<br>    calculation='scf'<br>    restart_mode='from_scratch',<br>    !pseudo_dir='directory where ps<br>    !outdir='directory where large files are written/'<br>


    pseudo_dir='./',<br>    outdir='./',<br>    prefix='PH',<br>    !ldisp=.true.<br>/<br> &system<br>    ibrav=0,<br>    celldm(1)=20.40,<br>    nat=64, ntyp=1,<br>    ecutwfc =24.0<br> /<br>

 &electrons<br>
    conv_thr =  1.0d-8<br>    mixing_beta = 0.7<br>/<br> CELL_PARAMETERS<br>"<a href="http://si.scf.in" target="_blank">si.scf.in</a>" [converted] 94L, 1711C                            1,1           Top<br><br>

      0.00  1.00  0.00<br>
      0.00  0.00  1.00<br>ATOMIC_SPECIES<br> Si  28.0855  Si.vbc.UPF<br>ATOMIC_POSITIONS<br>Si      0.25    0       0.25<br>Si      0.75    0       0.25<br>Si      0.25    0.5     0.25<br>Si      0.75    0.5     0.25<br>

Si      0.25    0       0.75<br>
Si      0.75    0       0.75<br>Si      0.25    0.5     0.75<br>Si      0.75    0.5     0.75<br>Si      0       0.25    0.25<br>Si      0.5     0.25    0.25<br>Si      0       0.75    0.25<br>Si      0.5     0.75    0.25<br>


Si      0       0.25    0.75<br>Si      0.5     0.25    0.75<br>Si      0       0.75    0.75<br>Si      0.5     0.75    0.75<br>Si      0.125   0.125   0.125<br>Si      0.625   0.125   0.125<br>Si      0.125   0.625   0.125<br>


Si      0.625   0.625   0.125<br>Si      0.125   0.125   0.625<br>Si      0.625   0.125   0.625<br>Si      0.125   0.625   0.625<br>Si      0.625   0.625   0.625<br>Si      0.125   0.375   0.375<br>Si      0.625   0.375   0.375<br>


Si      0.125   0.875   0.375<br>Si      0.625   0.875   0.375<br>Si      0.125   0.375   0.875<br>Si      0.625   0.375   0.875<br>Si      0.125   0.875   0.875<br>Si      0.625   0.875   0.875<br>Si      0.375   0.375   0.125<br>


Si      0.875   0.375   0.125<br>Si      0.375   0.875   0.125<br>Si      0.875   0.875   0.125<br>Si      0.375   0.375   0.625<br>Si      0.875   0.375   0.625<br>Si      0.375   0.875   0.625<br>Si      0.875   0.875   0.625<br>


Si      0.375   0.125   0.375<br>Si      0.875   0.125   0.375<br>Si      0.375   0.625   0.375<br>Si      0.875   0.625   0.375<br>Si      0.375   0.125   0.875<br>Si      0.875   0.125   0.875<br>Si      0.375   0.625   0.875<br>


Si      0.875   0.625   0.875<br>Si      0       0       0<br>Si      0.5     0       0<br>Si      0       0.5     0<br>Si      0.5     0.5     0<br>Si      0       0       0.5<br>Si      0.5     0       0.5<br>Si      0       0.5     0.5<br>


Si      0.5     0.5     0.5<br>Si      0.25    0.25    0<br>Si      0.75    0.25    0<br>Si      0.25    0.75    0<br>Si      0.75    0.75    0<br>Si      0.25    0.25    0.5<br>Si      0.75    0.25    0.5<br>Si      0.25    0.75    0.5<br>


Si      0.75    0.75    0.5<br>K_POINTS {automatic}<br>2 2 2 0 0 0<br><br><br><br><br><br>My <a href="http://si.phG.in" target="_blank">si.phG.in</a> File is<br>phonons of Si at Gamma<br> &inputph<br>  tr2_ph=1.0d-12,<br>

  prefix='PH',<br>
  epsil=.false.,<br>  trans=.true.,<br>  zue=.false.,<br>amass(1)=28.0855<br>amass(2)=28.0855<br>amass(3)=28.0855<br>amass(4)=28.0855<br>amass(5)=28.0855<br>amass(6)=28.0855<br>amass(7)=28.0855<br>amass(8)=28.0855<br>amass(9)=28.0855<br>


amass(10)=28.0855<br>amass(11)=28.0855<br>amass(12)=28.0855<br>amass(13)=28.0855<br>amass(14)=28.0855<br>amass(15)=28.0855<br>amass(16)=28.0855<br>amass(17)=28.0855<br>amass(18)=28.0855<br>amass(19)=28.0855<br>amass(20)=28.0855<br>


amass(21)=28.0855<br>amass(22)=28.0855<br>amass(23)=28.0855<br>amass(24)=28.0855<br>amass(25)=28.0855<br>amass(26)=28.0855<br>amass(27)=28.0855<br>amass(28)=28.0855<br>amass(29)=28.0855<br>amass(30)=28.0855<br>amass(31)=28.0855<br>


amass(32)=28.0855<br>amass(33)=28.0855<br>amass(34)=28.0855<br>amass(35)=28.0855<br>amass(36)=28.0855<br>amass(37)=28.0855<br>amass(38)=28.0855<br>amass(39)=28.0855<br>amass(40)=28.0855<br>amass(41)=28.0855<br>amass(42)=28.0855<br>


amass(43)=28.0855<br>amass(44)=28.0855<br>amass(45)=28.0855<br>amass(46)=28.0855<br>amass(47)=28.0855<br>amass(48)=28.0855<br>amass(49)=28.0855<br>amass(50)=28.0855<br>amass(51)=28.0855<br>amass(52)=28.0855<br>amass(53)=28.0855<br>


amass(54)=28.0855<br>amass(55)=28.0855<br>amass(56)=28.0855<br>amass(57)=28.0855<br>amass(58)=28.0855<br>amass(59)=28.0855<br>amass(60)=28.0855<br>amass(61)=28.0855<br>amass(62)=28.0855<br>amass(63)=28.0855<br>amass(64)=28.0855<br>


  outdir='./',<br>  fildyn='si.dyn_G',<br> fildrho='si.drho_G',<br> /<br>0.0 0.0 0.0<br>           <br><br>And the error is<br>reading inputph namelist<br>     from phq_readin : error #        19<br>


     reading inputph namelist<br>     from phq_readin : error #        19<br><br><br clear="all">I am a new user to quatum espresso .<br><i><b>Can anyone help me in this matter?<br><br>Thanks a lot<br><br></b></i>with regards <br>
Tribhuwan<br>