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quantum-espresso
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bug fix, or most likely compiler bug workaround, 

for IBM xlf 8.1.0.3


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@234 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
cavazzon 2003-06-12 21:32:44 +00:00
parent 19d6d59207
commit 7ab84cd1a0
2 changed files with 3 additions and 2 deletions
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2
PW/cdiaghg.f90
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@ -119,7 +119,7 @@ subroutine cdiaghg (n, m, h, s, ldh, e, v)
!
call ZCOPY (ldh * n, h, 1, hdum, 1)
call ZHEGVX (1, 'V', 'I', 'U', n, hdum, ldh, sdum, ldh, &
0.0D0, 0.0D0, 1, m, 0.d0, mm, e, v, ldh, work, lwork, rwork, &
0.0D0, 0.0D0, 1, m, 0.d0, mm, e(1), v, ldh, work, lwork, rwork, &
iwork, ifail, info)
#endif
endif

3
PW/cinitcgg.f90
View File

@ -71,7 +71,8 @@ subroutine cinitcgg (npwx, npw, nstart, nbnd, psi, evc, e)
!
call cdiaghg (nstart, nbnd, hc, sc, nstart, en, hc (1, 1, 2))
!
e (:) = en(1:nbnd)
! print *,' nbnd, nstart ', nbnd, nstart
e (1:nbnd) = en(1:nbnd) ! qui era e(:) = en(1:nbnd) ed incasinava l'sp4
!
! update the basis set
!