mirror of https://gitlab.com/QEF/q-e.git
67 lines
1.6 KiB
Fortran
67 lines
1.6 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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#include "f_defs.h"
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!
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!-----------------------------------------------------------------------
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subroutine psymd0rho (nper, irr, dvtosym)
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!-----------------------------------------------------------------------
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! p-symmetrize the charge density.
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!
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#ifdef __PARA
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USE kinds, ONLY : DP
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USE ions_base, ONLY : nat
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USE pwcom
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USE phcom
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USE d3com
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USE mp_global, ONLY : me_pool
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USE pfft, ONLY : npp, ncplane
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IMPLICIT NONE
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integer :: nper, irr
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! the number of perturbations
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! the representation under consideration
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complex (kind = dp) :: dvtosym (nrxx, nper)
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! the potential to symmetrize
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! local variables
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integer :: i, iper, npp0
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complex (kind = dp),pointer :: ddvtosym (:,:)
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! the potential to symmetrize
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! if (nsymq.eq.1.and. (.not.minus_q) ) return
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call start_clock ('psymd0rho')
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allocate ( ddvtosym( nrx1 * nrx2 * nrx3, nper))
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npp0 = 0
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do i = 1, me_pool
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npp0 = npp0 + npp (i)
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enddo
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npp0 = npp0 * ncplane+1
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do iper = 1, nper
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call cgather_sym (dvtosym (1, iper), ddvtosym (1, iper) )
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enddo
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call symd0rho (max_irr_dim, nper, irr, ddvtosym, s, ftau, nsymg0, irgq, tg0, &
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nat, nr1, nr2, nr3, nrx1, nrx2, nrx3)
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do iper = 1, nper
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call ZCOPY (npp (me_pool+1) * ncplane, ddvtosym (npp0, iper), 1, dvtosym &
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(1, iper), 1)
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enddo
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deallocate(ddvtosym)
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call stop_clock ('psymd0rho')
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#endif
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return
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end subroutine psymd0rho
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