[Pw_forum] l, m pdos
Paolo Giannozzi
giannozz at nest.sns.it
Tue May 15 19:21:01 CEST 2007
On May 15, 2007, at 18:11 , Aritz Leonardo Liceranzu wrote:
> I am drawing the some projected states and I would like somebody to
> confirm the following about the output:
>
> l=1 m=1 --> factor*(z/r)
> l=1 m=2 --> factor*(x/r)
> l=1 m=3 --> factor*(y/r)
>
> l=2 m=1 --> factor*(-1+z2/r2)
> l=2 m=2 --> factor*(xz/r2)
> l=2 m=3 --> factor*(yz/r2)
this doesn't sound new to me: in fact it is even in the FAQ
http://www.quantum-espresso.org/wiki/index.php/
Frequently_Asked_Questions
towards the end
P.
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Paolo Giannozzi, Democritos and University of Udine, Italy
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