<div class="gmail_quote">Dear all,<br> I have an input like shown below:   <br><br><br> &control<br>    calculation='relax',<br>    pseudo_dir = '',<br>    outdir='',<br>    tstress = .true.<br>

    tprnfor = .true.<br>    prefix=''<br>
    wf_collect= .true. , <br>/<br> &system<br>    ibrav=0,<br>    nat= 95,<br>    ntyp=3,<br>    ecutwfc = 30.0,<br>    ecutrho = 180.0,<br>    occupations='smearing',<br>    smearing='methfessel-paxton',<br>


    degauss=0.003,<br>    nbnd=400,<br> /<br> &electrons<br>    conv_thr = 1.0e-6,<br>    mixing_beta = 0.1,<br> /<br> &ions<br> /<br>ATOMIC_SPECIES<br>Pt 195.09   Ptrel.RRKJ3.UPF<br>Ce 140.116  Ce_lda_sc.UPF<br>

O  16.00    O.pz-rrkjus.UPF<br>
<br>CELL_PARAMETERS<br>  20.4500    0.0000    0.0000<br>  0.00000   20.4500    0.0000<br>  0.00000    0.0000   20.4500<br><br>ATOMIC_POSITIONS (crystal)<br>Ce      0.10000     0.05000     0.02000<br>Ce      0.25500     0.21000     0.02000<br>


...<br>...<br>...<br>...<br>...<br>...<br>...<br>...<br>...<br>...<br>...<br>...<br>...<br>...<br>...<br>...<br>...<br>
O       0.37500     0.61500     0.37500<br>O       0.62500     0.37500     0.39500<br>O       0.37500     0.32500     0.37500<br><br>K_POINTS {automatic}<br>4  4  4  0  0  0<br><br><br><span style="font-family: arial,helvetica,sans-serif;"> </span><br>


But its showing error which says "<b style="font-family: arial,helvetica,sans-serif;">US j -average not yet implemented</b>". What does it mean?? does it has something to do with the pseudo file of Pt (Ptrel.RRKJ3.UPF)?? <br>


<br><br>thanks in advance<br>A K S<br>
</div>