From 1a62f7df4e1c7a6ebec59c4292067d1a243395ee 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 2624d05d..08ac7980 100644 --- a/examples/mio/skdef.hsd +++ b/examples/mio/skdef.hsd @@ -308,8 +308,8 @@ 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