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ebylaska 2022-04-02 12:22:39 -07:00
parent 6b04392210
commit f7cc9eb0fb
1 changed files with 3 additions and 3 deletions
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6
src/nwpw/libraryps/paw_default/Yb
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@ -11,7 +11,7 @@ Comment:
<atom_charge> 70.0
<orbitals>
13 1 4
13 2 3
1 0 2.00
2 0 2.00
2 1 6.00
@ -25,9 +25,9 @@ Comment:
5 0 2.00
5 1 6.00
6 0 2.00
6 1 0.00
5 2 0.00
5 3 0.00 1.00
6 1 0.00 1.00
6 2 0.00 1.00
7 0 0.00 1.00
@ -47,7 +47,7 @@ pauli
5 1 1.571
5 2 2.400
5 3 2.400
6 0 1.800
6 0 2.400
6 1 2.400
<ref_potential_matching_radius> 1.2