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<div class="moz-cite-prefix">does the code stop with that error or
it is a warning and the code continues disabling the symmetry?<br>
stefano <br>
<br>
On 10/20/2012 12:14 PM, N H Joshi wrote:<br>
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<blockquote
cite="mid:CAG5+nDBizaoXqjtGbuigUaEWCtKqkk6KY5KDGx48r5X8nZxarQ@mail.gmail.com"
type="cite">
<pre wrap="">Hello,
Sorry about the last mail..
Here is the correct input file and the the error message I get with version
5.0.1...
&control
calculation = 'relax'
prefix='Ni',
tprnfor = .true.
pseudo_dir = '.',
outdir='.'
wf_collect=.true.
/
&system
ibrav= 0,
nat= 6, ntyp= 1,
ecutwfc =35
ecutrho =360,
occupations='smearing',
smearing='mv',
degauss=0.01,
nspin=2
starting_magnetization(1)=1.0
/
&electrons
conv_thr = 1.0d-8
mixing_beta = 0.2
mixing_mode='local-TF'
/
&IONS
/
ATOMIC_SPECIES
Ni 58.6931 Ni.pbe-nd-rrkjus.UPF
ATOMIC_POSITIONS (angstrom)
Ni 0.000000000 0.000000000 0.000000000 0 0 0
Ni 2.779543930 -0.744776550 2.034767380 0 0 0
Ni 1.389771960 -0.372388280 4.069534750 0 0 0
Ni 0.000000000 0.000000000 6.045464932
Ni 2.779543930 -0.744776550 8.022097250
Ni 1.389771889 -0.372388192 9.991374018
K_POINTS {automatic}
12 12 1 1 1 1
CELL_PARAMETERS {hexagonal}
3.330000000 -3.330000000 0.00000000
4.54886459 1.218864589 0.00000000
0.0000000000 0.0000000000 44.0
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine multable (2):
Not a group
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-Niharika Joshi
Project student,
Indian Institute of Science Education and Research, Pune.
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