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Work around numerical instability of the mio N example
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vanderhe committed Nov 19, 2024
1 parent d3a1484 commit 1a62f7d
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions examples/mio/skdef.hsd
Original file line number Diff line number Diff line change
Expand Up @@ -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
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