From 601930f423658b7ea958618c15877976a7851242 Mon Sep 17 00:00:00 2001 From: Tammo van der Heide Date: Thu, 8 Aug 2024 16:49:13 +0200 Subject: [PATCH] Work around numerical instability of the mio N example --- examples/mio/skdef.hsd | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/examples/mio/skdef.hsd b/examples/mio/skdef.hsd index ab2d3e66..1596fd75 100644 --- a/examples/mio/skdef.hsd +++ b/examples/mio/skdef.hsd @@ -314,8 +314,8 @@ OnecenterParameters { $StandardDeltaFilling Calculator = SlaterAtom { Exponents { - S = 0.5 1.2 2.9 7.0 - P = 0.5 1.2 2.9 7.0 + S = 0.5 1.21 2.9 7.0 + P = 0.5 1.21 2.9 7.0 } MaxPowers { S = 3