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quantum-espresso
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Commented out very verbose debug code. 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4413 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
paulatto 2007-11-09 12:46:18 +00:00
parent e8706afc54
commit 9cf058b67c
1 changed files with 10 additions and 10 deletions
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20
atomic/atomic_paw.f90
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@ -777,7 +777,7 @@ CONTAINS
INTEGER :: is, ns, ns1, l
REAL(dp) :: aux(ndmx), dd
REAL(DP), EXTERNAL :: int_0_inf_dr
REAL(dp):: dddd(nwfsx,nwfsx,3)
!REAL(dp):: dddd(nwfsx,nwfsx,3)
!
! D^ = Int Q*v~
@ -792,7 +792,7 @@ CONTAINS
pawset_%augfun(1:pawset_%grid%mesh,ns,ns1,0) * &
veffps_(1:pawset_%grid%mesh,is)
dd = int_0_inf_dr(aux,pawset_%grid,pawset_%irc,(pawset_%l(ns)+1)*2)
dddd(ns,ns1,1) = int_0_inf_dr(aux,pawset_%grid,pawset_%irc,(pawset_%l(ns)+1)*2)
!dddd(ns,ns1,1) = int_0_inf_dr(aux,pawset_%grid,pawset_%irc,(pawset_%l(ns)+1)*2)
! Int[ae*v1*ae]
aux(1:pawset_%grid%mesh) = &
pawset_%aewfc(1:pawset_%grid%mesh,ns ) * &
@ -800,7 +800,7 @@ CONTAINS
veff1_(1:pawset_%grid%mesh,is)
dd = dd + &
int_0_inf_dr(aux,pawset_%grid,pawset_%irc,(pawset_%l(ns)+1)*2)
dddd(ns,ns1,2) = int_0_inf_dr(aux,pawset_%grid,pawset_%irc,(pawset_%l(ns)+1)*2)
!dddd(ns,ns1,2) = int_0_inf_dr(aux,pawset_%grid,pawset_%irc,(pawset_%l(ns)+1)*2)
! Int[ps*v1~*ps + aufun*v1~]
aux(1:pawset_%grid%mesh) = &
( pawset_%pswfc(1:pawset_%grid%mesh,ns ) * &
@ -809,7 +809,7 @@ CONTAINS
veff1ps_(1:pawset_%grid%mesh,is)
dd = dd - &
int_0_inf_dr(aux,pawset_%grid,pawset_%irc,(pawset_%l(ns)+1)*2)
dddd(ns,ns1,3) = int_0_inf_dr(aux,pawset_%grid,pawset_%irc,(pawset_%l(ns)+1)*2)
!dddd(ns,ns1,3) = int_0_inf_dr(aux,pawset_%grid,pawset_%irc,(pawset_%l(ns)+1)*2)
! collect
ddd_(ns,ns1,is) = pawset_%kdiff(ns,ns1) + dd
ddd_(ns1,ns,is) = ddd_(ns,ns1,is)
@ -817,12 +817,12 @@ CONTAINS
END DO
END DO
END DO
write(*,*) 'deeq'
write(*,'(4f13.8)') dddd(1:4,1:4,1)
write(*,*) 'ddd ae'
write(*,'(4f13.8)') dddd(1:4,1:4,2)
write(*,*) 'ddd ps'
write(*,'(4f13.8)') dddd(1:4,1:4,3)
! write(*,*) 'deeq'
! write(*,'(4f13.8)') dddd(1:4,1:4,1)
! write(*,*) 'ddd ae'
! write(*,'(4f13.8)') dddd(1:4,1:4,2)
! write(*,*) 'ddd ps'
! write(*,'(4f13.8)') dddd(1:4,1:4,3)
END SUBROUTINE compute_nonlocal_coeff
!