loos/srDFT_SC
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This commit is contained in:
Emmanuel Giner 2020-03-25 16:27:13 +01:00
parent 1574785967
commit 47e666e832
1 changed files with 1 additions and 1 deletions
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new/data_on_top/data
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@ -2,7 +2,7 @@
N2 N2
CAS CAS-extrap CIPSI CIPSI-extrap CAS CAS-extrap CIPSI CIPSI-extrap
avdz avdz
N2 0.58771 0.32983 0.51397 N2 0.58771 0.32983 0.51397 0.29114
N 0.17232 0.09811 0.12742 0.07343 N 0.17232 0.09811 0.12742 0.07343
------------- ---------- ------------------------- ------------- ---------- -------------------------
avtz avtz