diff --git a/source/KKRnano/source/datastructures/RadialMeshData_mod.F90 b/source/KKRnano/source/datastructures/RadialMeshData_mod.F90 index a5084c0df4a380353fe83a41eb3883d2e91388da..355f6e5f4f18bddd6bdbe214fdd8e01c4553d239 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