mirror of https://gitlab.com/QEF/q-e.git
106 lines
3.2 KiB
Fortran
106 lines
3.2 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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!-----------------------------------------------------------------------
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subroutine phq_recover
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!-----------------------------------------------------------------------
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!
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! This subroutine tests if a recover file exists for the phonon run
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! and writes the appropriate messages if the run starts from
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! a given iteration of a given irreducible representation
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!
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#include "f_defs.h"
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!
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USE ions_base, ONLY : nat
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USE io_global, ONLY : stdout
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use pwcom
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USE kinds, ONLY : DP
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use phcom
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USE control_flags, ONLY : modenum
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implicit none
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integer :: ifat0 (nat), comp_irr0 (3 * nat), irr, na
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! dummy variable to read
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! dummy variable to read
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! counter on representations
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! counter on atoms
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iunrec = 99
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call seqopn (iunrec, 'recover', 'unformatted', recover)
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irr0 = 0
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iter0 = 0
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zstarue0 (:,:) = (0.d0, 0.d0)
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if (recover) then
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if (okvan) read (iunrec) int1, int2
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read (iunrec) dyn, dyn00, epsilon, zstareu, zstarue, zstareu0, &
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zstarue0
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read (iunrec) irr0, iter0, convt, done_irr, comp_irr0, ifat0
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if (iter0 == 0 .and. modenum .ne. 0) then
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call errore ('recover', 'recover not possible', 1)
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dyn = dyn00
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do irr = 1, nirr
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done_irr (irr) = 0
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enddo
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endif
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if (iter0 /= 0) then
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!
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! If iter0.ne.0 we must recover also the irreducible representations
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! to do and atoms
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!
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do irr = 1, nirr
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comp_irr (irr) = comp_irr0 (irr)
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enddo
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nat_todo = 0
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do na = 1, nat
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ifat (na) = ifat0 (na)
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if (ifat (na) == 1) then
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nat_todo = nat_todo + 1
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atomo (nat_todo) = na
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endif
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enddo
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all_comp = ( nat_todo == nat )
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endif
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if (irr0 == - 1) then
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WRITE( stdout, '(/,4x," Reading only int1 and int2" )')
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close (unit = iunrec, status = 'keep')
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elseif (irr0 == - 2) then
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WRITE( stdout, '(/,4x," Restart from Iteration #",i5, &
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& " of Elect. Field")') iter0 + 1
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elseif (irr0 > 0) then
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if (iter0 /= 0) then
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WRITE( stdout, '(/,4x," Restart from Iteration #",i5, &
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& " of Representation #",i5)') iter0 + 1, irr0
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else
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if (irr0 == nirr) then
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WRITE( stdout, '(/,4x," From recover: Dynamical ", &
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& " Matrix calculation ")')
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else
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do irr = 1, nirr
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if ( (comp_irr (irr) == 1) .and. (done_irr (irr) == 0) ) then
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WRITE( stdout, '(/,4x," Restart from first iteration", &
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& " of Representation # ",i5)') irr
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goto 1000
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endif
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enddo
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1000 continue
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endif
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close (unit = iunrec, status = 'keep')
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endif
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else
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call errore ('phq_recover', 'wrong irr0', 1)
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endif
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else
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close (unit = iunrec, status = 'delete')
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endif
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return
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end subroutine phq_recover
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