mirror of https://gitlab.com/QEF/q-e.git
48 lines
1.4 KiB
Fortran
48 lines
1.4 KiB
Fortran
!
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! Copyright (C) 2001-2012 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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!---------------------------------------------------------------------
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subroutine set_irr_nosym_new (u, npert, nirr)
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!---------------------------------------------------------------------
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!
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! This routine substitutes set_irr when there are no symmetries.
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! The irreducible representations are all one dimensional and
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! we set them to the displacement of a single atom in one direction
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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 : num_rap_mode, name_rap_mode
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USE control_ph, ONLY : search_sym
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IMPLICIT NONE
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!
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INTEGER, INTENT(OUT) :: npert (3 * nat), nirr
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! output: the dimension of each representation
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! output: the number of representation
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COMPLEX(DP), INTENT(OUT) :: u( 3 * nat, 3 * nat )
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!
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integer :: imode, irr
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! counter on modes
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! counter on representations
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!
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!
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nirr = 3 * nat
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npert = 1
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u = (0.d0, 0.d0)
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do imode = 1, 3 * nat
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u (imode, imode) = (1.d0, 0.d0)
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enddo
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IF (search_sym) THEN
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DO imode = 1, 3 * nat
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num_rap_mode(imode)=1
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name_rap_mode(imode)='A'
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END DO
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ENDIF
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return
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end subroutine set_irr_nosym_new
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