mirror of https://gitlab.com/QEF/q-e.git
143 lines
4.3 KiB
Fortran
143 lines
4.3 KiB
Fortran
!
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! Copyright (C) 2001-2018 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 close_phq( flag )
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!----------------------------------------------------------------------------
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!! Close all files.
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!! Called at the end of the run with \(\text{flag}\)=TRUE (removes 'recover')
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!! or during execution with \(\text{flag}\)=FALSE (does not remove 'recover').
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!
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USE mp_pools, ONLY : me_pool, root_pool
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USE paw_variables, ONLY : okpaw
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USE io_global, ONLY : ionode, stdout
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USE io_files, ONLY : iunhub, iunhub_noS
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USE buffers, ONLY : close_buffer
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USE uspp, ONLY : okvan
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USE units_ph, ONLY : iubar, iudrhous, iuebar, iudrho, &
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iudvscf, iucom, iudvkb3, iuint3paw, iudyn, &
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iundnsscf, iudvpsi, iugauge
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USE units_lr, ONLY : iuwfc, iuatwfc, iuatswfc, iudwf
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USE control_ph, ONLY : zue, epsil, only_wfc
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USE recover_mod, ONLY : clean_recover
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USE output, ONLY : fildrho, fildvscf
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USE ramanm, ONLY : lraman, elop, iuchf, iud2w, iuba2
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USE el_phon, ONLY : elph_mat,iunwfcwann
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USE ldaU, ONLY : lda_plus_u
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USE control_lr, ONLY : lgamma
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USE dvscf_interpolate, ONLY : ldvscf_interpolate, dvscf_interpol_close
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USE ahc, ONLY : elph_ahc
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USE control_flags, ONLY : io_level
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!
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IMPLICIT NONE
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!
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LOGICAL :: flag
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LOGICAL :: exst, opnd
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!
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IF (only_wfc) RETURN
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!
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IF (io_level > 0) THEN
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CALL close_buffer(iuwfc,'keep')
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ELSE
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CALL close_buffer(iuwfc,'delete')
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ENDIF
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!
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IF (flag) THEN
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CALL close_buffer(iudwf,'delete')
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CALL close_buffer(iubar,'delete')
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!
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IF ( okvan ) CALL close_buffer(iudrhous,'delete')
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!
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IF ( epsil .OR. zue ) THEN
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CALL close_buffer(iuebar,'delete')
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IF (okvan) THEN
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CALL close_buffer(iucom,'delete')
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INQUIRE( UNIT=iudvkb3, OPENED=opnd )
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IF (opnd) CLOSE( UNIT = iudvkb3, STATUS = 'DELETE' )
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ENDIF
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ENDIF
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ELSE
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CALL close_buffer(iudwf,'keep')
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CALL close_buffer(iubar,'keep')
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!
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IF ( okvan ) CALL close_buffer(iudrhous,'keep')
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!
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IF ( epsil .OR. zue ) THEN
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CALL close_buffer(iuebar,'keep')
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IF (okvan) THEN
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CALL close_buffer(iucom,'keep')
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INQUIRE( UNIT=iudvkb3, OPENED=opnd )
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IF (opnd) CLOSE( UNIT = iudvkb3, STATUS = 'KEEP' )
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ENDIF
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ENDIF
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ENDIF
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!
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IF ( ionode .AND. fildrho /= ' ') THEN
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INQUIRE( UNIT=iudrho, OPENED=opnd )
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IF (opnd) CLOSE( UNIT = iudrho, STATUS = 'KEEP' )
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ENDIF
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!
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IF ( flag ) CALL clean_recover()
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!
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IF ( fildvscf /= ' ' .AND. ionode ) THEN
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INQUIRE( UNIT=iudvscf, OPENED=opnd )
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IF (opnd) CLOSE( UNIT = iudvscf, STATUS = 'KEEP' )
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IF (okpaw) THEN
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INQUIRE( UNIT=iuint3paw, OPENED=opnd )
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IF (opnd) CLOSE( UNIT = iuint3paw, STATUS = 'KEEP' )
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ENDIF
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ENDIF
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!
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IF (lraman .OR.elop) THEN
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INQUIRE( UNIT=iuchf, OPENED=opnd )
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IF (opnd) CLOSE ( UNIT=iuchf, STATUS = 'KEEP' )
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INQUIRE( UNIT=iud2w, OPENED=opnd )
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IF (opnd) CLOSE ( UNIT=iud2w, STATUS = 'KEEP' )
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INQUIRE( UNIT=iuba2, OPENED=opnd )
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IF (opnd) CLOSE ( UNIT=iuba2, STATUS = 'KEEP' )
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ENDIF
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!
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IF (elph_mat) THEN
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INQUIRE( UNIT=iunwfcwann, OPENED=opnd )
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IF (opnd) CLOSE( UNIT = iunwfcwann, STATUS = 'KEEP' )
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ENDIF
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IF (ionode) THEN
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INQUIRE( UNIT=iudyn, OPENED=opnd )
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IF (opnd) CLOSE( UNIT = iudyn, STATUS = 'KEEP' )
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END IF
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!
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! DFPT+U
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IF (lda_plus_u) THEN
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CALL close_buffer(iuatwfc, 'delete')
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CALL close_buffer(iuatswfc, 'delete')
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CLOSE( UNIT = iundnsscf, STATUS = 'KEEP' )
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IF (lgamma) THEN
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CALL close_buffer(iunhub, 'delete')
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CALL close_buffer(iunhub_noS, 'delete')
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ENDIF
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ENDIF
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!
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! dVscf Fourier interpolation
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!
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IF (flag .AND. ldvscf_interpolate) THEN
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CALL dvscf_interpol_close()
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ENDIF
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!
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! AHC e-ph
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!
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IF (elph_ahc) THEN
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CALL close_buffer(iudvpsi, 'DELETE')
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IF (me_pool == root_pool) THEN
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CLOSE(UNIT=iugauge, STATUS='KEEP')
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ENDIF
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ENDIF
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!
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RETURN
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!
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END SUBROUTINE close_phq
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