mirror of https://gitlab.com/QEF/q-e.git
Phonon glitches after recent changes
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8071 c92efa57-630b-4861-b058-cf58834340f0
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@ -41,7 +41,6 @@ SUBROUTINE check_initial_status(auxdyn)
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USE save_ph, ONLY : tmp_dir_save
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USE ph_restart, ONLY : ph_readfile, check_status_run, init_status_run, &
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ph_writefile
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USE start_k, ONLY : nks_start
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USE save_ph, ONLY : save_ph_input_variables
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USE io_rho_xml, ONLY : write_rho
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USE mp_global, ONLY : nimage, my_image_id, intra_image_comm
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@ -203,8 +202,6 @@ SUBROUTINE check_initial_status(auxdyn)
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!
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auxdyn = fildyn
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!
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IF (nks_start==0) CALL errore('check_initial_status','wrong starting k',1)
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!
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RETURN
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END SUBROUTINE check_initial_status
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@ -71,8 +71,6 @@ SUBROUTINE run_pwscf(do_band)
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CALL punch( 'all' )
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done_bands=.TRUE.
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ENDIF
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!
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CALL seqopn( 4, 'restart', 'UNFORMATTED', exst )
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CLOSE( UNIT = 4, STATUS = 'DELETE' )
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@ -118,13 +118,11 @@ SUBROUTINE setup_nscf ( newgrid, xq )
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!
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call s_axis_to_cart ()
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IF (okpaw) CALL d_matrix(d1,d2,d3)
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!
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! ... Input k-points are assumed to be given in the IBZ of the Bravais
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! ... lattice, with the full point symmetry of the lattice.
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!
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if( .NOT. newgrid ) then
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if( nks_start > 0 .AND. .NOT. newgrid ) then
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!
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! In this case I keep the same points of the Charge density
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! calculations
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@ -136,9 +134,7 @@ SUBROUTINE setup_nscf ( newgrid, xq )
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!
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! In this case I generate a new set of k-points
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!
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nks_start=nk1*nk2*nk3
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CALL kpoint_grid ( nrot, time_reversal, s, t_rev, bg, nks_start, &
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CALL kpoint_grid ( nrot, time_reversal, s, t_rev, bg, nk1*nk2*nk3, &
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k1,k2,k3, nk1,nk2,nk3, nkstot, xk, wk)
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endif
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