Commit c9772d83 authored by Gregor Michalicek's avatar Gregor Michalicek

Correct order of states for electron configuration

parent a1da0c07
......@@ -31,21 +31,21 @@
CHARACTER(7),DIMENSION(29),PARAMETER :: coreStateList_const=(/
+ '(1s1/2)','(2s1/2)','(2p1/2)','(2p3/2)','(3s1/2)',
+ '(3p1/2)','(3p3/2)','(3d3/2)','(3d5/2)','(4s1/2)',
+ '(3p1/2)','(3p3/2)','(4s1/2)','(3d3/2)','(3d5/2)',
+ '(4p1/2)','(4p3/2)','(5s1/2)','(4d3/2)','(4d5/2)',
+ '(5p1/2)','(5p3/2)','(6s1/2)','(4f5/2)','(4f7/2)',
+ '(5d3/2)','(5d5/2)','(6p1/2)','(6p3/2)','(7s1/2)',
+ '(5f5/2)','(5f7/2)','(6d3/2)','(6d5/2)' /)
INTEGER,DIMENSION(29),PARAMETER :: coreStateNumElecsList_const=(/ ! This is the number of electrons per spin
+ 1, 1, 1, 2, 1, 1, 2, 2, 3, 1, 1, 2, 1, 2,
+ 1, 1, 1, 2, 1, 1, 2, 1, 2, 3, 1, 2, 1, 2,
+ 3, 1, 2, 1, 3, 4, 2, 3, 1, 2, 1, 3, 4, 2, 3/)
INTEGER,DIMENSION(29),PARAMETER :: coreStateNprncList_const=(/
+ 1, 2, 2, 2, 3, 3, 3, 3, 3, 4, 4, 4, 5, 4, 4,
+ 1, 2, 2, 2, 3, 3, 3, 4, 3, 3, 4, 4, 5, 4, 4,
+ 5, 5, 6, 4, 4, 5, 5, 6, 6, 7, 5, 5, 6, 6/)
INTEGER,DIMENSION(29),PARAMETER :: coreStateKappaList_const=(/
+ -1,-1, 1,-2,-1, 1,-2, 2,-3,-1, 1,-2,-1, 2,-3,
+ -1,-1, 1,-2,-1, 1,-2,-1, 2,-3, 1,-2,-1, 2,-3,
+ 1,-2,-1, 3,-4, 2,-3, 1,-2,-1, 3,-4, 2,-3/)
CHARACTER(4),DIMENSION(6),PARAMETER :: nobleGasConfigList_const=(/
......
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