Dear Andrea thanks for your answers, they were helpful for me.<br>I faced with a new question, can any one help me, please?:<br>I run a PW.X with this input file <br> &control<br>    calculation = 'scf'<br>    restart_mode='from_scratch',<br>
    prefix='silicon',<br>    tstress = .true.<br>    tprnfor = .true.<br>    pseudo_dir = '/home/nano/Desktop/esp/psudo'<br>    outdir='/home/nano/Desktop/esp/out/si'<br> /<br> &system    <br>    ibrav=  2, celldm(1) =10.20, nat=  2, ntyp= 1,<br>
    ecutwfc =70.0, <br> /<br> &electrons<br>    mixing_mode = 'plain'<br>    mixing_beta = 0.7 <br>    conv_thr =  1.0d-8<br> /<br>ATOMIC_SPECIES<br> Si  28.086  Si.pz-vbc.UPF<br>ATOMIC_POSITIONS<br> Si 0.00 0.00 0.00 <br>
 Si 0.25 0.25 0.25 <br>K_POINTS<br>   10<br>    0.1250000  0.1250000  0.1250000   1.00<br>    0.1250000  0.1250000  0.3750000   3.00<br>    0.1250000  0.1250000  0.6250000   3.00<br>    0.1250000  0.1250000  0.8750000   3.00<br>
    0.1250000  0.3750000  0.3750000   3.00<br>    0.1250000  0.3750000  0.6250000   6.00<br>    0.1250000  0.3750000  0.8750000   6.00<br>    0.1250000  0.6250000  0.6250000   3.00<br>    0.3750000  0.3750000  0.3750000   1.00<br>
    0.3750000  0.3750000  0.6250000   3.00<br>Every things done well, But when i run epsilon.x with this input file:<br>&inputpp<br>    outdir= '/home/nano/Desktop/esp/out/si'<br>   prefix='silicon',<br>
   calculation= 'eps',<br> /<br> &energy_grid<br>    smeartype='gauss'<br>    intersmear=0.1<br>    intrasmear=0.1<br>    wmax=30.0d0<br>    wmin=0.0d0<br>    nw=100<br>    shift=0.0d0<br> /<br><br>I get this eror:<br>
  Program POST-PROC v.4.1.2  starts ...<br>     Today is 24May2010 at 15:22:14 <br><br>     Parallel version (MPI)<br><br>     Number of processors in use:       1<br><br><br>     Reading input file...<br>     Broadcasting variables...<br>
     Reading PW restart file...<br><br>     Planes per process (thick) : nr3 = 40 npp =  40 ncplane = 1600<br><br>     Proc/  planes cols     G    planes cols    G      columns  G<br>     Pool       (dense grid)       (smooth grid)      (wavefct grid)<br>
        1    40   1003    20875   40   1003    20875    295     3215<br><br><br><br>     Fermi energy [eV] is:  5.93574<br>     The system is a dielectric...<br><br>     Performing eps calculation...<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
     from epsilon : error #         1<br>     bad band number<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br>     stopping ...<br><br>and in the command prompt it print: "application called MPI_Abort(MPI_COMM_WORLD, 0) - process 0"<br>
Where is the problem?<br>Thanks for your reply.<br>Mohsen Modaresi<br> <br>