[Pw_forum] pdos

ashkan shekaari shekaari at gmail.com
Sat May 7 21:36:17 CEST 2016


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.*
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