mirror of https://gitlab.com/QEF/q-e.git
38 lines
1.3 KiB
Fortran
38 lines
1.3 KiB
Fortran
!
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! Copyright (C) 2001-2016 PWSCF group
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! This file is distributed under the terms of the
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! GNU General Public License. See the file `License'
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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!--------------------------------------------------------------------
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subroutine dnonloccorr(rho, drho, xq, dvaux )
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! ===================
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!--------------------------------------------------------------------
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!
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USE kinds, ONLY : DP
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USE noncollin_module, ONLY : nspin_lsda, nspin_mag, nspin_gga
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USE fft_base, ONLY: dfftp
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USE funct, ONLY : dft_is_gradient, dft_is_nonlocc, get_inlc
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USE ph_vdW_DF, ONLY : dv_drho_vdwdf
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USE ph_rVV10, ONLY : dv_drho_rvv10
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implicit none
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!
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real(DP), INTENT(IN) :: rho (dfftp%nnr, nspin_mag), xq(3)
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complex(DP), INTENT(IN) :: drho (dfftp%nnr, nspin_mag)
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complex(DP), INTENT(INOUT) :: dvaux (dfftp%nnr, nspin_mag)
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complex(DP), ALLOCATABLE :: dvnonloc(:,:)
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integer :: inlc
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allocate(dvnonloc(dfftp%nnr,nspin_mag))
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dvnonloc(:,:)= (0.d0,0.d0)
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if (get_inlc()==1 .or. get_inlc()==2) CALL dv_drho_vdwdf(rho, drho, nspin_mag, xq, dvnonloc)
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if (get_inlc()==3) CALL dv_drho_rvv10(rho, drho, nspin_mag, xq, dvnonloc)
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dvaux = dvaux + dvnonloc
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deallocate(dvnonloc)
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return
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end subroutine dnonloccorr
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