[Wien] AFM calculation of superlattice

mes and the result remains the same. Any suggestion will be ok ! ljqian -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20091009/de27ff86/attachment.htm>

[Wien] Eigenvectors

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:

[Wien] AFM calculation of superlattice

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

[Wien] Eigenvectors

> 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