mirror of https://gitlab.com/QEF/q-e.git
Additional check on existence of atomic wavefunctions
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11605 c92efa57-630b-4861-b058-cf58834340f0
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@ -22,11 +22,12 @@ PROGRAM do_projwfc
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USE klist, ONLY : degauss, ngauss, lgauss
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USE io_files, ONLY : nd_nmbr, prefix, tmp_dir
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USE noncollin_module, ONLY : noncolin
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USE mp, ONLY : mp_bcast
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USE mp_world, ONLY : world_comm
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USE mp_global, ONLY : mp_startup, nproc_ortho
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USE environment, ONLY : environment_start, environment_end
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USE wvfct, ONLY: et, nbnd
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USE mp, ONLY : mp_bcast
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USE mp_world, ONLY : world_comm
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USE mp_global, ONLY : mp_startup, nproc_ortho
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USE environment,ONLY : environment_start, environment_end
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USE wvfct, ONLY : et, nbnd
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USE basis, ONLY : natomwfc
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!
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IMPLICIT NONE
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!
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@ -150,6 +151,8 @@ PROGRAM do_projwfc
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IF ( tdosinboxes ) THEN
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CALL projwave_boxes (filpdos, filproj, n_proj_boxes, irmin, irmax, plotboxes)
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ELSE
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IF ( natomwfc <= 0 ) CALL errore &
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('do_projwfc', 'Cannot project on zero atomic wavefunctions!', 1)
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IF (noncolin) THEN
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CALL projwave_nc(filproj, lsym, lwrite_overlaps, lbinary_data )
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ELSE
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