mirror of https://gitlab.com/QEF/q-e.git
45 lines
1.6 KiB
Fortran
45 lines
1.6 KiB
Fortran
!
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! Copyright (C) 2012 Quantum ESPRESSO 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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SUBROUTINE write_modes_out(irr, imode0)
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!
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! This routine writes the displacements on the representation irr that
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! starts at mode imode0
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!
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USE kinds, ONLY : DP
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USE ions_base, ONLY : nat
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USE modes, ONLY : u, npert
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USE io_global, ONLY : stdout
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IMPLICIT NONE
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INTEGER, INTENT(IN) :: imode0, irr
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INTEGER :: mu, nu
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WRITE( stdout, '(5x,"Irreps are as follows:",/)')
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IF (npert (irr) .eq.1) THEN
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WRITE( stdout, '(20x," mode #",i4)') imode0 + 1
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WRITE( stdout, '(20x," (",2f10.5," ) ")') ( (u (mu, nu) ,&
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&nu = imode0 + 1, imode0 + npert (irr) ) , mu = 1, 3 * nat)
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ELSEIF (npert (irr) .eq.2) THEN
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WRITE( stdout, '(2(10x," mode #",i4,16x))') imode0 + 1, &
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imode0 + 2
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WRITE( stdout, '(2(10x," (",2f10.5," ) "))') ( (u (mu, nu) , nu &
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&= imode0 + 1, imode0 + npert (irr) ) , mu = 1, 3 * nat)
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ELSEIF (npert (irr) .eq.3) THEN
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WRITE( stdout, '(4x,3(" mode #",i4,13x))') imode0 + 1, imode0 &
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+ 2, imode0 + 3
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WRITE( stdout, '((5x,3("(",2f10.5," ) ")))') ( (u (mu, nu) , &
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nu = imode0 + 1, imode0 + npert (irr) ) , mu = 1, 3 * nat)
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ELSE
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WRITE( stdout, '(4x,4(" mode #",i4,13x))') imode0 + 1, imode0 &
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+ 2, imode0 + 4
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WRITE( stdout, '((5x,4("(",2f10.5," ) ")))') ( (u (mu, nu) , &
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nu = imode0 + 1, imode0 + npert (irr) ) , mu = 1, 3 * nat)
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ENDIF
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RETURN
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END SUBROUTINE write_modes_out
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