mes and the result remains the same.
Any suggestion will be ok !
ljqian
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I have some short questions:
I am looking for the eigenvalues and eigenvectors at the high symmetry points.
using WFPRI in case.in1 produces an ASCII case.vec file in addition to the
binary case.vector
that contains the eigenvalues and eigenvectors. How are the eigenvectors
organized ?
(Note:
I do not know about this particular system.
However, one cannot always force any arbitrary magnetic configuration,
in particular not for metallic systems.
While I cannot say if your result is correct, in principle it could be
ok. On interfaces quite different magnetic order may occur than in the
> I am looking for the eigenvalues and eigenvectors at the high symmetry points.
>
> using WFPRI in case.in1 produces an ASCII case.vec file in addition to the
> binary case.vector
> that contains the eigenvalues and eigenvectors. How are the eigenvectors
> organized ?
> (Note: the manual tells
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