[Pw_forum] question on Nonlinear core correction
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.
> Nab of Superhard Materials
> Jilin Univ.
> Pw_forum mailing list
> Pw_forum at pwscf.org
Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center -
http://www.sissa.it/~baroni / [+39] 040 3787 406 (tel) -528 (fax) /
La morale est une logique de l'action comme la logique est une morale
de la pensée - Jean Piaget
Please, if possible, don't send me MS Word or PowerPoint attachments
Why? See: http://www.gnu.org/philosophy/no-word-attachments.html
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users