[Pw_forum] question on Nonlinear core correction

Stefano Baroni baroni at sissa.it
Tue Aug 19 09:16:42 CEST 2008

Dear Guoying: Google is your friend. Typing "non linear core  
correction" in google you would get you several relevant links. The  
most important one is the sixth, which points to the original paper by  
Steven Louie (never mind the title: the non linear core correction is  
important for non-magnetic materials as well)


Have a nice reading.


On Aug 19, 2008, at 8:30 AM, Guoying Gao wrote:

> Dear everyone,
>         I searched "Nonclear core correction" in pw forum and found
> that the core correction is more important for atoms with few valence
> electrons. So my question is what is "Nonlinear core correction",  why
> it is more important for atoms with few valence electrons? Any
> interapretation or suggestion will be welcomed.
> Regards!
> Guoying
> Nab of Superhard Materials
> Jilin Univ.
> P.R.China
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Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
http://www.sissa.it/~baroni / [+39] 040 3787 406 (tel) -528 (fax) /  
stefanobaroni (skype)

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