From d0f794154ea1f466179fc9534091137ab9fab23a Mon Sep 17 00:00:00 2001 From: Daniel Wortmann Date: Thu, 7 Jun 2018 12:10:55 +0200 Subject: [PATCH] Bugfix in cdninf=t mode in noco case --- cdn/pwden.F90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/cdn/pwden.F90 b/cdn/pwden.F90 index 4e3c74c7..1d81c4ed 100644 --- a/cdn/pwden.F90 +++ b/cdn/pwden.F90 @@ -493,7 +493,7 @@ CONTAINS CMPLX(psi1r(stars%igq_fft(ik)),psi1i(stars%igq_fft(ik))) ENDDO DO istr = 1,stars%ng3_fft - CALL pwint(stars,atoms,sym, oneD,cell,stars%kv3(1,istr),x) + CALL pwint(stars,atoms,sym, oneD,cell,istr,x) dos%qis(nu,ikpt,1) = dos%qis(nu,ikpt,1) + REAL(cwk(istr)*x)/cell%omtil/REAL(ifftq3) ENDDO @@ -503,7 +503,7 @@ CONTAINS CMPLX(psi2r(stars%igq_fft(ik)),psi2i(stars%igq_fft(ik))) ENDDO DO istr = 1,stars%ng3_fft - CALL pwint(stars,atoms,sym, oneD,cell, stars%kv3(1,istr), x) + CALL pwint(stars,atoms,sym, oneD,cell, istr, x) dos%qis(nu,ikpt,input%jspins) = dos%qis(nu,ikpt,input%jspins) + REAL(cwk(istr)*x)/cell%omtil/REAL(ifftq3) ENDDO ENDIF -- GitLab