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ao_num=30 in H2 example

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Anthony Scemama 2023-05-02 14:24:30 +02:00
parent 7bec8b7984
commit 252baa4721
1 changed files with 1 additions and 1 deletions
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org/qmckl_ao.org
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@ -185,7 +185,7 @@ D 1
type = 'G' type = 'G'
shell_num = 12 shell_num = 12
prim_num = 20 prim_num = 20
ao_num = 38 ao_num = 30
nucleus_index = [0 , 6] nucleus_index = [0 , 6]