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<pre>dear users<br />I'm trying to run a calculation antiferromagnetic and the following error appears.</pre>
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<pre><br />Some could help me.</pre>
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<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 /></p>
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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
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