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<div class="moz-cite-prefix">I think "case.struct_supergroup NOT
present!!!" can be ignored and is not a problem in this case,
since it looks like you specified the symmetry operation instead
as:<br>
<br>
Program input is: "1.0 0.0 0.0 0.5 0.0 1.0 0.0 0.5 0.0 0.0 1.0 0.5
" <br>
<br>
I think the problem is how you specified the input, which results
in the error "Fortran runtime error: Bad integer for item 1 in
list input". This is because you have used real numbers like
"1.0" in places where you need to use integers like "1". So the
input likely needs to be:<br>
<br>
Program input is: "1 0 0 0.5 0 1 0 0.5 0 0 1 0.5 " <br>
<br>
On 8/26/2013 1:22 PM, Antonio Vanderlei dos Santos - Fisica wrote:<br>
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<blockquote
cite="mid:d3be2eda5c7fa705e9394e1e11e90bc3@santoangelo.uri.br"
type="cite">
<p> dear users<br>
</p>
<pre>I'm trying to run a calculation antiferromagnetic and the following error appears.</pre>
<p> Some could help me.</p>
<p> Commandline: <strong>x afminput -up </strong><br>
Program input is: <strong>"1.0 0.0 0.0 0.5 0.0 1.0 0.0 0.5 0.0
0.0 1.0 0.5 "</strong> <br>
<br>
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<pre>At line 227 of file afminput.f (unit = 5, file = 'stdin')
Fortran runtime error: Bad integer for item 1 in list input
case.struct_supergroup NOT present!!!
It is strongly recommended that you copy the (nonmagnetic) supergroup
struct file to case.struct_supergroup (unless they are KLASSENGLEICH)
Otherwise:
You must specify a symmetry operation (rotation + translation vector)
which transforms the spin-up into the spin-dn atom (e.g. for AFM bcc Cr:)!
1 0 0 0.5
0 1 0 0.5
0 0 1 0.5
0.0u 0.0s 0:00.00 0.0% 0+0k 0+8io 0pf+0w
error: command /home/wien2k/afminput upafminput.def failed
</pre>
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