[Wien] Orbital polarization error

[Peter Blaha]

This looks highly suspicious!
These files have the same time stamp. Usually you create vectorup, then 
vectordn, and later on vectorsoup/dn.
Furthermore the size of vectorup/dn is 8 Mb (huge), but the so vectors 
are very small. It may happen when your E-window in case.in1 is 
extremely large, but in case.inso it is very small, but here it looks as 
if you have 40 times more eigenvalues in vectorup than in vectorsoup.

> [l_iglesias at pc6096 k8000]$ ls -l k8000.outputso
> -rw-rw-r--  1 l_iglesias l_iglesias 159785 Oct 13 11:33 k8000.outputso
> [l_iglesias at pc6096 k8000]$ ls -l k8000.vector*
> -rw-rw-r--  1 l_iglesias l_iglesias 8063858 Oct 13 11:33 k8000.vectordn
> -rw-rw-r--  1 l_iglesias l_iglesias  363840 Oct 13 11:33 k8000.vectorsodn
> -rw-rw-r--  1 l_iglesias l_iglesias  363840 Oct 13 11:33 k8000.vectorsoup
> -rw-rw-r--  1 l_iglesias l_iglesias 8106542 Oct 13 11:33 k8000.vectorup


                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: 
http://info.tuwien.ac.at/theochem/
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