From e279eb21903eac1f9d7dccffead79e774ebf1d50 Mon Sep 17 00:00:00 2001
From: Rudolf Zeller <ru.zeller@fz-juelich.de>
Date: Fri, 8 May 2020 11:54:08 +0200
Subject: [PATCH] Removed inconsistency in the initial definition of the B
parameter
---
.../KKRnano/source/datastructures/RadialMeshData_mod.F90 | 9 +++++----
1 file changed, 5 insertions(+), 4 deletions(-)
diff --git a/source/KKRnano/source/datastructures/RadialMeshData_mod.F90 b/source/KKRnano/source/datastructures/RadialMeshData_mod.F90
index a5084c0df..355f6e5f4 100644
--- a/source/KKRnano/source/datastructures/RadialMeshData_mod.F90
+++ b/source/KKRnano/source/datastructures/RadialMeshData_mod.F90
@@ -160,17 +160,18 @@ module RadialMeshData_mod
double precision, intent(in) :: radius_mt
double precision, intent(in) :: a_log
double precision, intent(in) :: b_log
+ double precision :: b_log_local
!double precision, parameter :: A = 0.025d0
integer :: ii
self%A = a_log
- self%B = b_log
- !self%B = radius_mt / (exp(a_log * (imt - 1)) - 1.d0)
+ b_log_local = radius_mt / (exp(a_log * (imt - 1)) - 1.d0)
+ self%B = b_log_local
do ii = 1, imt
- self%r(ii) = b_log * (exp(a_log * (ii - 1)) - 1.d0)
- self%drdi(ii) = a_log * b_log * exp(a_log * (ii - 1))
+ self%r(ii) = b_log_local * (exp(a_log * (ii - 1)) - 1.d0)
+ self%drdi(ii) = a_log * b_log_local * exp(a_log * (ii - 1))
enddo ! ii
self%rmt = radius_MT
--
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