Dear QE users,<br>                        I am trying to do the example 2(phonon dispersion relation) but I am getting some error. I am pasting my input and output file below. Please tell me where I am going wrong.<br>Thanks a lot in advance.<br>
MOHNISH<br><br><b>INPUT FOR SCF CALCULATION</b><br><br>&control<br>    calculation='scf',<br>    restart_mode='restart',<br>    prefix='si'<br>    pseudo_dir = '/home/rajpala/Desktop/phonon',<br>
    outdir='/home/rajpala/Desktop/phonon'<br> /<br> &system<br>    ibrav = 2, celldm(1) =10.20, nat=  2, ntyp= 1,<br>    ecutwfc = 30.0<br> /<br> &electrons<br>    mixing_beta = 0.7<br>    conv_thr =  1.0d-8<br>
 /<br>ATOMIC_SPECIES<br> Si  28.086  SiPBE-rrkj.UPF<br>ATOMIC_POSITIONS<br> Si 0.00 0.00 0.00<br> Si 0.25 0.25 0.25<br>K_POINTS (automatic)<br>  6 6 6 0 0 0<br><br><b>INPUT FOR PH.X </b><br><br>&INPUTPH<br>  amass(1)=28.086<br>
  outdir='/home/rajpala/Desktop/phonon'<br>  prefix='si'<br>  tr2_ph=1.0d-14<br>  fildyn='si.dynG<br>  epsil=.true.<br> /<br>0.0 0.0 0.0<br><br><b>OUTPUT</b><br><br>Program PHONON    v.4.1.1  starts ...<br>
     Today is 29Mar2010 at 11:24:23 <br><br>     Parallel version (MPI)<br><br>     Number of processors in use:       1<br><br>     Ultrasoft (Vanderbilt) Pseudopotentials<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
     from phq_readin : error #         1<br>     reading inputph namelist<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br>     stopping ...<br>p0_16851:  p4_error: : 0<br clear="all">
<br>-- <br>Mohnish Pandey<br>Y6927262,4th Year dual degree student,<br>Department of Chemical Engineering,<br>IIT KANPUR<br>09235721300<br>