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projwfc explicitly says where the atomic states come from 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5123 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2008-08-22 08:09:10 +00:00
parent 0f004f12d3
commit 5006bef10d
1 changed files with 7 additions and 4 deletions
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11
PP/projwfc.f90
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@ -586,7 +586,8 @@ SUBROUTINE projwave( filproj, lsym )
!
! write on the standard output file
!
WRITE( stdout,'(/"Projection on atomic states:"/)')
WRITE( stdout,'(/5x,"Atomic states used for projection")')
WRITE( stdout,'( 5x,"(read from pseudopotential files):"/)')
DO nwfc = 1, natomwfc
WRITE(stdout,1000) &
nwfc, nlmchi(nwfc)%na, atm(ityp(nlmchi(nwfc)%na)), &
@ -1120,7 +1121,8 @@ SUBROUTINE projwave_nc(filproj, lsym )
!
! write on the standard output file
!
WRITE( stdout,'(/"Projection on atomic states:"/)')
WRITE( stdout,'(/5x,"Atomic states used for projection")')
WRITE( stdout,'( 5x,"(read from pseudopotential files):"/)')
IF (lspinorb) THEN
DO nwfc = 1, natomwfc
WRITE(stdout,1000) &
@ -1953,7 +1955,7 @@ SUBROUTINE pprojwave( filproj, lsym )
INTEGER, ALLOCATABLE :: ic_notcnv( : )
!
!
WRITE( stdout, '(/5x,"Calling projwave .... ")')
WRITE( stdout, '(/5x,"Calling pprojwave .... ")')
IF ( gamma_only ) THEN
WRITE( stdout, '(5x,"gamma-point specific algorithms are used")')
END IF
@ -2341,7 +2343,8 @@ SUBROUTINE pprojwave( filproj, lsym )
!
! write on the standard output file
!
WRITE( stdout,'(/"Projection on atomic states:"/)')
WRITE( stdout,'(/5x,"Atomic states used for projection")')
WRITE( stdout,'( 5x,"(read from pseudopotential files):"/)')
DO nwfc = 1, natomwfc
WRITE(stdout,1000) &
nwfc, nlmchi(nwfc)%na, atm(ityp(nlmchi(nwfc)%na)), &