[Wien] E(TOP)= -200.000

[Peter Blaha]

>  I want to calculate some properties of compounds which contain 
> lanthanide atom but I find E(TOP)= -200.000 in the E(2) for the Ce. 

It means that it cannot find an E(TOP) energy in a reasonable energy 
interval. Since it is for a valence state, it does not matter at all.

About E(TOP) and E(bottom) see the UG or
http://www.wien2k.at/events/ws2008/talks/Blaha.pdf



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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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