<br clear="all">Dear Gabriele and Dear  Paolo<br><br>Thank you for previous comments.<br><br>I used your hints and I run small cluster with only 3 atoms but the previous problem has remained.<br><br>Input file<br><br>&amp;control
<br>    calculation=&#39;relax&#39;
<br>    title=&#39;Au3Cluster&#39;
<br>    restart_mode=&#39;from_scratch&#39;
<br>    outdir=&#39;./tmp&#39;
<br>    prefix=&#39;Au3&#39;
<br>    etot_conv_thr=1.0D-4
<br>    pseudo_dir = &#39;./&#39;
<br>    wf_collect=.true.
<br> /
<br>&amp;system
<br>    ibrav=  2, celldm(1) =  26,nat=  3, ntyp= 1, 
<br>    ecutwfc =72.0, ecutrho=560.0, 
<br>    occupations=&#39;smearing&#39;, smearing=&#39;fd&#39;, degauss=0.01
<br>    nspin=1,
<br> /
<br>&amp;electrons
<br>   electron_maxstep=100,
<br>   diagonalization=&#39;cg&#39;, 
<br>   conv_thr=1.0D-6,
<br>   mixing_beta=0.1,
<br> /
<br>&amp;ions
<br>   ion_dynamics=&#39;bfgs&#39;
<br>/
<br>&amp;cell
<br>/
<br> <br>ATOMIC_SPECIES
<br> Au  196.97  Au.pbe-nd-rrkjus.UPF
<br>ATOMIC_POSITIONS {angstrom}
<br> <br>Au    0.000    0.000    0.000
<br>Au    4.110    0.000    0.000
<br>Au      0.000   4.110    0.000
<br> <br>K_POINTS {automatic}
<br>2 2 2  1 1 1<br><br>....<br><br>and <br><br>The Error :<br><br>forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>Image              PC                Routine            Line        Source             <br>
pw.x               000000000052089C  addusdens_                 27  addusdens.f90<br>pw.x               00000000004DCB76  sum_band_                 153  sum_band.f90<br>pw.x               000000000044B7D7  electrons_                287  electrons.f90<br>
pw.x               000000000040BA6E  MAIN__                     92  pwscf.f90<br>pw.x               000000000040B8DC  Unknown               Unknown  Unknown<br>libc.so.6          00002AE29DCF2ABD  Unknown               Unknown  Unknown<br>
pw.x               000000000040B7D9  Unknown               Unknown  Unknown<br><br><br>Question : Is it possible that the source of error is related to be semiconducting while I identified metal in input file with smearing keyword ? <br>
<br><br><br>Best Regards,<br>Reza.Shidpour<br>SUT<br>