From 5f8ed5cadb98028642291e1e6084ddfedb7ceaf1 Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Thu, 14 May 2020 14:22:34 -0500 Subject: [PATCH] fixed incorrect index --- src/ao_one_e_ints/ao_overlap.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/ao_one_e_ints/ao_overlap.irp.f b/src/ao_one_e_ints/ao_overlap.irp.f index 9877f882..d972b869 100644 --- a/src/ao_one_e_ints/ao_overlap.irp.f +++ b/src/ao_one_e_ints/ao_overlap.irp.f @@ -481,7 +481,7 @@ BEGIN_PROVIDER [ complex*16, S_half_kpts, (ao_num_per_kpt,ao_num_per_kpt,kpt_num allocate(U(ao_num_per_kpt,ao_num_per_kpt),Vt(ao_num_per_kpt,ao_num_per_kpt),D(ao_num_per_kpt)) do kk=1,kpt_num - call svd_complex(ao_overlap_kpts(1,1,k),size(ao_overlap_kpts,1),U,size(U,1),D,Vt,size(Vt,1),ao_num_per_kpt,ao_num_per_kpt) + call svd_complex(ao_overlap_kpts(1,1,kk),size(ao_overlap_kpts,1),U,size(U,1),D,Vt,size(Vt,1),ao_num_per_kpt,ao_num_per_kpt) do i=1,ao_num_per_kpt D(i) = dsqrt(D(i))