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Update lr_apply_liouvillian_eels.f90 to fix the performance issue with ultrasoft pseudopotentials

This commit is contained in:
Oleksandr Motornyi 2019-02-04 10:43:30 +00:00
parent 2721be2eb0
commit 6fa063902e
1 changed files with 1 additions and 1 deletions
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2
TDDFPT/src/lr_apply_liouvillian_eels.f90
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@ -120,6 +120,7 @@ SUBROUTINE lr_apply_liouvillian_eels ( evc1, evc1_new, interaction )
! from the response charge density.
!
CALL dv_of_drho (dvrsc, .false.)
IF (okvan) CALL newdq(dvrsc, 1)
!
! Interpolation of the HXC potential from the thick mesh
! to a smoother mesh (if doublegrid=.true.)
@ -234,7 +235,6 @@ SUBROUTINE lr_apply_liouvillian_eels ( evc1, evc1_new, interaction )
! Output: int3 = \int V_HXC(r) * Q_nm(r) dr
! See Eq.(B22) in Ref. A. Dal Corso, PRB 64, 235118 (2001)
!
CALL newdq(dvrsc, 1)
!
CALL adddvscf(1, ik)
!