[Pw_forum] pdos

[stefano de gironcoli]

it is explained in the projwfc.x input documentation

http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PROJWFC

stefano

On 07/05/2016 21:37, ashkan shekaari wrote:
> Dear experts,
>
> in quantum mechanics, the quantum number *m* is between *-l *and* l *: 
> -l<=m<=l
>
> and so m=-1, 0, +1 for l=1. but in the output of a pdos calculation, 
> values of m
>
> are seen as follows:
>
>      state #   9: atom   1 (Mo ), wfc  5 (l=2 m= 1)
>      state #  10: atom   1 (Mo ), wfc  5 (l=2 m= 2)
>      state #  11: atom   1 (Mo ), wfc  5 (l=2 m= 3)
>      state #  12: atom   1 (Mo ), wfc  5 (l=2 m= 4)
>      state #  13: atom   1 (Mo ), wfc  5 (l=2 m= 5)
>
> Is, for example,  (l=2 , m= 1) equivalent to m=-2 or
>
>      (l=2 m= 1)------>  m=-2
>      (l=2 m= 2)------>  m=-1
>       (l=2 m= 3)------>  m=0
>       (l=2 m= 4)------>  m=1
>       (l=2 m= 5)------>  m=2
>
> ?
>
> *--*
> /All the best,/
> /Ashkan Shekaari/
> /Plasma Physics Research Center, Science and Research Branch, /
> /I A U, 14778-93855 Tehran, Iran./
>
> On Sun, May 8, 2016 at 12:06 AM, ashkan shekaari <shekaari at gmail.com 
> <mailto:shekaari at gmail.com>> wrote:
>
>     Dear experts,
>
>     in quantum mechanics, the quantum number *m* is between *-l *and*l
>     *: -l<=m<=l
>
>     and so m=-1, 0, +1. but in the output of a pdos calculation,
>     values of m
>
>     are seen as follows:
>
>          state #   9: atom   1 (Mo ), wfc  5 (l=2 m= 1)
>          state #  10: atom   1 (Mo ), wfc  5 (l=2 m= 2)
>          state #  11: atom   1 (Mo ), wfc  5 (l=2 m= 3)
>          state #  12: atom   1 (Mo ), wfc  5 (l=2 m= 4)
>          state #  13: atom   1 (Mo ), wfc  5 (l=2 m= 5)
>
>     Is, for example,  (l=2 , m= 1) equivalent to m=-2 or
>
>          (l=2 m= 1)------>  m=-2
>          (l=2 m= 2)------>  m=-1
>           (l=2 m= 3)------>  m=0
>           (l=2 m= 4)------>  m=1
>           (l=2 m= 5)------>  m=2
>
>     ?
>
>     *--*
>     /All the best,/
>     /Ashkan Shekaari/
>     /Plasma Physics Research Center, Science and Research Branch, /
>     /I A U, 14778-93855 Tehran, Iran./
>
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160507/b11211c4/attachment.html>