Have you set nosym=.true. in your &system input block. try it.<br><br><div class="gmail_quote">On Mon, Oct 22, 2012 at 10:55 AM, N H Joshi <span dir="ltr"><<a href="mailto:niharikaj@students.iiserpune.ac.in" target="_blank">niharikaj@students.iiserpune.ac.in</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hello,<br>
<br>
Yes, the code stops with the error message...<br>
<br>
> &control<br>
>      calculation = 'relax'<br>
>      prefix='Ni',<br>
>     tprnfor = .true.<br>
>     pseudo_dir = '.',<br>
>      outdir='.'<br>
>     wf_collect=.true.<br>
>    /<br>
>   &system<br>
>      ibrav= 0,<br>
>      nat= 6, ntyp= 1,<br>
>      ecutwfc =35<br>
>      ecutrho =360,<br>
>      occupations='smearing',<br>
>      smearing='mv',<br>
>     degauss=0.01,<br>
>      nspin=2<br></blockquote><div>nosym=.true. <br></div><blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
>      starting_magnetization(1)=1.0<br>
>     /<br>
>   &electrons<br>
>     conv_thr =  1.0d-8<br>
>     mixing_beta = 0.2<br>
>     mixing_mode='local-TF'<br>
> /<br>
> &IONS<br>
> /<br>
> ATOMIC_SPECIES<br>
>   Ni  58.6931 Ni.pbe-nd-rrkjus.UPF<br>
> ATOMIC_POSITIONS (angstrom)<br>
> Ni       0.000000000   0.000000000   0.000000000    0   0   0<br>
> Ni       2.779543930  -0.744776550   2.034767380    0   0   0<br>
> Ni       1.389771960  -0.372388280   4.069534750    0   0   0<br>
> Ni       0.000000000   0.000000000   6.045464932<br>
> Ni       2.779543930  -0.744776550   8.022097250<br>
> Ni       1.389771889  -0.372388192   9.991374018<br>
> K_POINTS {automatic}<br>
> 12 12 1 1 1 1<br>
> CELL_PARAMETERS {hexagonal}<br>
> 3.330000000   -3.330000000  0.00000000<br>
> 4.54886459   1.218864589  0.00000000<br>
> 0.0000000000    0.0000000000   44.0<br>
><br>
><br>
><br>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
>       Error in routine multable (2):<br>
>        Not a group<br>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
><br>
<span class="HOEnZb"><font color="#888888">--<br>
Niharika Joshi<br>
Project student,<br>
IISER,Pune<br>
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</font></span></blockquote></div><br><br clear="all"><br>-- <br>Thanks and Regards<br>Bramha Prasad Pandey<br>Ph.D Student Indian School of Mines(ISM)<br>Dhanbad, INDIA.<br><br>