Commit 240e4def authored by degironc's avatar degironc

call to ccgdiagg was not updated to the new argument list.



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13670 c92efa57-630b-4861-b058-cf58834340f0
parent 5c32736c
......@@ -41,6 +41,10 @@ subroutine hdiag( npw, max_iter, avg_iter, et_ )
! type of band: valence (1) or conduction (0)
REAl(DP), ALLOCATABLE :: h_prec(:)
! preconditioning matrix (diagonal)
! CG diagonalization uses these external routines on a single band
external h_1psi, s_1psi
! subroutine h_1psi(npwx,npw,psi,hpsi,spsi) computes H*psi and S*psi
! subroutine s_1psi(npwx,npw,psi,spsi) computes S*psi (if needed)
call start_clock ('hdiag')
......@@ -63,7 +67,8 @@ subroutine hdiag( npw, max_iter, avg_iter, et_ )
( npwx, npw, nbnd, gstart, nbnd, evc, npol, okvan, evc, et_ )
avg_iter = avg_iter + 1.d0
endif
call ccgdiagg (npwx, npw, nbnd, npol, evc, et_, btype, h_prec, eth_ns, &
CALL ccgdiagg( h_1psi, s_1psi, &
npwx, npw, nbnd, npol, evc, et_, btype, h_prec, eth_ns, &
max_iter, .true., notconv, cg_iter)
avg_iter = avg_iter + cg_iter
ntry = ntry + 1
......
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