From 790bf3ad6e47d9a3f2ebee595414870d60208013 Mon Sep 17 00:00:00 2001
From: Rudolf Zeller <ru.zeller@fz-juelich.de>
Date: Thu, 5 Aug 2021 11:28:18 +0200
Subject: [PATCH] Corrected error in caling spinorbit_ham
---
source/KKRhost/rhovalnew.F90 | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/source/KKRhost/rhovalnew.F90 b/source/KKRhost/rhovalnew.F90
index c905ee550..8688a8472 100644
--- a/source/KKRhost/rhovalnew.F90
+++ b/source/KKRhost/rhovalnew.F90
@@ -556,7 +556,7 @@ contains
! read/recalc wavefunctions left contruct the TRANSPOSE spin-orbit coupling hamiltonian and add to potential
if ( .not. decouple_spin_cheby) then
call spinorbit_ham(lmax, lmmax0d, vins, rnew, eryd, zat, cvlight, socscale, nspin, lmpotd, theta, phi, ipan_intervall, rpan_intervall, npan_tot, ncheb, irmdnew, nrmaxd, &
- vnspll0, vnspll1(:,:,:,ith), 'rll')
+ vnspll0, vnspll1(:,:,:,ith), 'transpose')
else
vnspll1(:,:,:,ith) = vnspll0(:,:,:)
end if
--
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