mirror of https://gitlab.com/QEF/q-e.git
61 lines
2.2 KiB
Fortran
61 lines
2.2 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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!-----------------------------------------------------------------------
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subroutine write_aux (isw)
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!-----------------------------------------------------------------------
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!
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! Writes on files partial computation of d3dyn
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!
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#include "machine.h"
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use pwcom
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use phcom
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use d3com
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!
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implicit none
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integer :: isw
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!
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if (isw.eq.1) then
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call setv (54 * nat * nat * nat, 0.d0, d3dyn_aux1, 1)
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call setv (54 * nat * nat * nat, 0.d0, d3dyn_aux2, 1)
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call setv (54 * nat * nat * nat, 0.d0, d3dyn_aux3, 1)
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call setv (54 * nat * nat * nat, 0.d0, d3dyn_aux4, 1)
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call setv (54 * nat * nat * nat, 0.d0, d3dyn_aux5, 1)
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call setv (54 * nat * nat * nat, 0.d0, d3dyn_aux6, 1)
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call setv (54 * nat * nat * nat, 0.d0, d3dyn_aux7, 1)
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call setv (54 * nat * nat * nat, 0.d0, d3dyn_aux8, 1)
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call setv (54 * nat * nat * nat, 0.d0, d3dyn_aux9, 1)
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elseif (isw.eq.2) then
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call ZCOPY (27 * nat * nat * nat, d3dyn, 1, d3dyn_aux4, 1)
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call DAXPY (2 * 27 * nat * nat * nat, - 1.d0, d3dyn_aux5, 1, &
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d3dyn_aux4, 1)
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call DAXPY (2 * 27 * nat * nat * nat, - 1.d0, d3dyn_aux6, 1, &
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d3dyn_aux4, 1)
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call DAXPY (2 * 27 * nat * nat * nat, - 1.d0, d3dyn_aux7, 1, &
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d3dyn_aux4, 1)
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call DAXPY (2 * 27 * nat * nat * nat, - 1.d0, d3dyn_aux8, 1, &
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d3dyn_aux4, 1)
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call DAXPY (2 * 27 * nat * nat * nat, - 1.d0, d3dyn_aux9, 1, &
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d3dyn_aux4, 1)
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call DAXPY (2 * 27 * nat * nat * nat, - 1.d0, d3dyn_aux1, 1, &
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d3dyn_aux4, 1)
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call writed3dyn_5 (d3dyn_aux1, 'd3mat.1', - 1)
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call writed3dyn_5 (d3dyn_aux4, 'd3mat.4', - 1)
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call writed3dyn_5 (d3dyn_aux5, 'd3mat.5', - 1)
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call writed3dyn_5 (d3dyn_aux6, 'd3mat.6', - 1)
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call writed3dyn_5 (d3dyn_aux7, 'd3mat.7', - 1)
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call writed3dyn_5 (d3dyn_aux8, 'd3mat.8', - 1)
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call writed3dyn_5 (d3dyn_aux9, 'd3mat.9', - 1)
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call writed3dyn_5 (d3dyn, 'd3mat.ns', - 1)
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elseif (isw.eq.3) then
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call writed3dyn_5 (d3dyn, 'd3mat.sy', 1)
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endif
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return
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end subroutine write_aux
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