mirror of https://gitlab.com/QEF/q-e.git
49 lines
1.3 KiB
Fortran
49 lines
1.3 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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SUBROUTINE clean_pw_ph(iq)
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!-----------------------------------------------------------------------
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!
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! This routine deallocate all the variables of pwscf and of the
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! phonon code, and reset the same variables as after reading input in
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! phq_readin, so that it is possible to start a calculation at
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! a new q.
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!
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USE kinds, ONLY : DP
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USE control_flags, ONLY : twfcollect
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USE modes, ONLY : nirr
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USE partial, ONLY : done_irr
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USE disp, ONLY : done_iq
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USE control_ph, ONLY : done_bands, rec_code_read
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USE save_ph, ONLY : restore_ph_input_variables
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!
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IMPLICIT NONE
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!
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INTEGER, INTENT(IN) :: iq
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!
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INTEGER :: irr
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!
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done_bands=.FALSE.
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done_iq(iq)=1
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DO irr=1,nirr
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IF (done_irr(irr)==0) done_iq(iq)=0
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ENDDO
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twfcollect=.FALSE.
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CALL clean_pw( .FALSE. )
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CALL deallocate_phq()
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rec_code_read=-1000
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!
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! ... Close the files
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!
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CALL close_phq( .TRUE. )
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!
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CALL restore_ph_input_variables()
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!
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RETURN
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END SUBROUTINE clean_pw_ph
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