[FPLO] how to set minimum basis

Klaus Koepernik K.Koepernik at ifw-dresden.de
Tue Mar 30 15:16:21 CEST 2010


On Tue, Mar 23, 2010 at 04:12:38PM +0800, luxiaohua_525 wrote:
> Hi , my dear fplo-users. 
> I am sorry to  bother you. when I repeat other papers.
> I meet two problems when I use fplo-9.00.
> 1. It is how to set atom minimum-basis within full-potential local-orbital minimum-basis scheme

FPLO9 has a fixed default basis set, which is not minimum basis but double-valence+polarization.

> 2. how to get atom occupation states from fedit platform after atom minimum-basis is setted.

No clue what that question means!


> 
> Looking forward to reply.
> sincerely yours!

> 
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-- 

----------------------------------------------------
Dr. Klaus Koepernik
Inst. for Theoretical Solid State Physics
Leibniz Institute for Solid State and 
Materials Research Dresden
P.O. Box 270016
D-01171 Dresden, Germany
email: k.koepernik at ifw-dresden.de
Tel:   Germany (0)351 4659360


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