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I changed this because I've got an 'array out of bounds' in some calculations. 

Can someone please check if my fix is ok? (D.C.)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5251 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
ceresoli 2008-10-28 18:54:51 +00:00
parent 454822a037
commit 1be9791025
1 changed files with 3 additions and 3 deletions
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6
PW/dndtau_of_k.f90
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@ -19,7 +19,7 @@ SUBROUTINE dndtau_of_k(dns,ldim,offset,proj,wfcatom,spsi,alpha,ipol,ik)
USE ions_base, ONLY : nat, ityp
USE basis, ONLY : natomwfc
USE lsda_mod, ONLY : nspin, current_spin
USE ldaU, ONLY : Hubbard_U, Hubbard_alpha
USE ldaU, ONLY : Hubbard_U, Hubbard_alpha, Hubbard_l
USE wvfct, ONLY : nbnd, npwx, npw, wg
IMPLICIT NONE
@ -53,8 +53,8 @@ SUBROUTINE dndtau_of_k(dns,ldim,offset,proj,wfcatom,spsi,alpha,ipol,ik)
DO na = 1,nat
nt = ityp(na)
IF (Hubbard_U(nt).NE.0.d0.OR.Hubbard_alpha(nt).NE.0.d0) THEN
DO m1 = 1,ldim
DO m2 = m1,ldim
DO m1 = 1, 2*Hubbard_l(nt)+1
DO m2 = m1, 2*Hubbard_l(nt)+1
DO ibnd = 1,nbnd
dns(m1,m2,current_spin,na) = dns(m1,m2,current_spin,na) + &
wg(ibnd,ik) * &