mirror of https://gitlab.com/QEF/q-e.git
39 lines
1.2 KiB
Fortran
39 lines
1.2 KiB
Fortran
!
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! Copyright (C) 2001 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 write_ramtns (iudyn, ramtns)
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!-----------------------------------------------------------------------
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USE kinds, ONLY : DP
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USE constants, ONLY : fpi
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USE cell_base, ONLY : omega
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USE ions_base, ONLY : nat
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!
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implicit none
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integer, intent(in) :: iudyn ! unit
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real(DP), intent(in) :: ramtns(3, 3, 3, nat) ! raman tensor
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! local variables
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integer :: na, ic, jc, kc
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! counters
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real (DP), parameter :: convfact = 0.529177**2
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! conversion factor from au^2 to A^2
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!
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! write raman tensor (D chi/d tau in A^2) to iudyn
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!
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write(iudyn,'(/5x,"Raman tensor (A^2)",/)')
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do na = 1, nat
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do kc = 1, 3
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write (iudyn,'(5x,"atom # ",i4," pol.",i3)') na, kc
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write (iudyn, '(3e24.12)') ( (ramtns(ic, jc, kc, na) * &
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omega/fpi*convfact, ic = 1, 3), jc = 1, 3)
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enddo
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enddo
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return
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end subroutine write_ramtns
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