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