mirror of https://gitlab.com/QEF/q-e.git
70 lines
1.7 KiB
Fortran
70 lines
1.7 KiB
Fortran
!
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! Copyright (C) 2009 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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!-----------------------------------------------------------------------
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SUBROUTINE psym_dmage (dvtosym)
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!-----------------------------------------------------------------------
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!! p-symmetrize the magnetization change due to an electric field.
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!
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USE kinds, ONLY : DP
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USE lsda_mod, ONLY : nspin
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USE mp_bands, ONLY : me_bgrp
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USE fft_base, ONLY : dfftp
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USE scatter_mod, ONLY : cgather_sym
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!
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IMPLICIT NONE
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!
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COMPLEX(DP) :: dvtosym(dfftp%nnr,nspin,3)
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!! the potential to symmetrize
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!
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! ... local variables
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!
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#if defined (__MPI)
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!
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INTEGER :: i, is, iper, ir3, ioff, ioff_tg, nxyp
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COMPLEX(DP), ALLOCATABLE :: ddvtosym (:,:,:)
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! the potential to symm
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CALL start_clock ('psym_dmage')
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ALLOCATE (ddvtosym ( dfftp%nr1x * dfftp%nr2x * dfftp%nr3x, nspin, 3))
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DO iper = 1, 3
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DO is = 1, nspin
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CALL cgather_sym (dfftp,dvtosym (:, is, iper), ddvtosym (:, is, iper) )
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ENDDO
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ENDDO
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CALL sym_dmage (ddvtosym)
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nxyp = dfftp%nr1x * dfftp%my_nr2p
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DO iper = 1, 3
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DO is = 1, nspin
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DO ir3 = 1, dfftp%my_nr3p
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ioff = dfftp%nr1x * dfftp%my_nr2p * (ir3-1)
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ioff_tg = dfftp%nr1x * dfftp%nr2x * (dfftp%my_i0r3p+ir3-1) + dfftp%nr1x * dfftp%my_i0r2p
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CALL zcopy (nxyp, ddvtosym (ioff_tg+1, is, iper), 1, dvtosym (ioff+1, is, iper), 1)
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END DO
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ENDDO
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ENDDO
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DEALLOCATE (ddvtosym)
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CALL stop_clock ('psym_dmage')
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#else
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CALL sym_dmage (dvtosym)
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#endif
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RETURN
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END SUBROUTINE psym_dmage
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