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I think this is a bug in wannier_ham: orthoatwfc needs also ngk 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12368 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2016-04-28 08:43:46 +00:00
parent 648394f860
commit e17a983d7f
1 changed files with 2 additions and 2 deletions
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PP/src/wannier_ham.f90
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@ -85,7 +85,7 @@ SUBROUTINE new_hamiltonian(form, plot_bands)
USE io_files
USE kinds, ONLY: DP
USE wannier_new, ONLY: nwan, pp, wannier_occ, wannier_energy, wan_in
USE klist, ONLY: nks, xk, wk, igk_k
USE klist, ONLY: nks, xk, wk, ngk, igk_k
USE lsda_mod, ONLY: isk, current_spin, lsda, nspin
USE wvfct, ONLY: nbnd, npwx, igk, npw, g2kin, et
USE gvecw, ONLY : gcutw
@ -130,7 +130,7 @@ SUBROUTINE new_hamiltonian(form, plot_bands)
! Generating igk for orthoatwfc()
DO ik = 1, nks
CALL gk_sort( xk(1,ik), ngm, g, gcutw, npw, igk_k(1,ik), g2kin )
CALL gk_sort( xk(1,ik), ngm, g, gcutw, ngk(ik), igk_k(1,ik), g2kin )
ENDDO
!
CALL orthoatwfc( .true. )