From e17a983d7fef1a28542d538054e0f32eecbae101 Mon Sep 17 00:00:00 2001 From: giannozz Date: Thu, 28 Apr 2016 08:43:46 +0000 Subject: [PATCH] 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 --- PP/src/wannier_ham.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/PP/src/wannier_ham.f90 b/PP/src/wannier_ham.f90 index bf1923ac7..99e25176d 100644 --- a/PP/src/wannier_ham.f90 +++ b/PP/src/wannier_ham.f90 @@ -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. )