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Lkind check allows for irreducible exciton calculation #224

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Merged
daniele-varsano merged 3 commits into from
Apr 29, 2026
Merged

Lkind check allows for irreducible exciton calculation #224

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1fceec8
Proper Lkind check allowing for irreducible BSE calculations
Feb 19, 2026
d71faa3
Fixed issue in Lind check
Feb 19, 2026
ecd4a96
New defaults for Lkind and barrier for Lbar at q/=0
Apr 27, 2026
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6 changes: 4 additions & 2 deletions src/bse/K_driver_init.F
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Expand Up @@ -165,8 +165,10 @@ subroutine K_driver_init(what,iq,Ken,Xk)
!
! BSE_L_kind check
!==============
if (.not.STRING_match(BSE_L_kind,"bar").and..not.STRING_match(BSE_L_kind,"full")) &
& call error('set Lkind = DEFAULT or BAR or FULL')
if (.not.STRING_match(BSE_L_kind,"bar") &
& .and..not.STRING_match(BSE_L_kind,"full") &
& .and..not.STRING_match(BSE_L_kind,"tilde")) &
& call error('set Lkind = DEFAULT or BAR or FULL or TILDE')
!
BS_K_is_ALDA=l_alda_fxc
if (l_alda_fxc) then
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