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srDFT_SC/calcs/extensivity
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Emmanuel Giner 6b9ed78ede added some more stuffs for extensivity
2019-10-13 23:22:30 +08:00
..
f2.DFT.out
working on dissociations
2019-10-13 19:01:42 +08:00
f2.xyz
working on dissociations
2019-10-13 19:01:42 +08:00
f2He.DFT.out
working on dissociations
2019-10-13 19:01:42 +08:00
He.DFT.out
working on dissociations
2019-10-13 19:01:42 +08:00
He.xyz
working on dissociations
2019-10-13 19:01:42 +08:00
n2.ezfio.casci.out
added some more stuffs for extensivity
2019-10-13 23:22:30 +08:00
n2.ezfio.DFT.out
added some more stuffs for extensivity
2019-10-13 23:22:30 +08:00
n2.xyz
added some more stuffs for extensivity
2019-10-13 23:22:30 +08:00
n.ezfio.DFT.out
added some more stuffs for extensivity
2019-10-13 23:22:30 +08:00
n.xyz
added some more stuffs for extensivity
2019-10-13 23:22:30 +08:00
scf_energies
added some more stuffs for extensivity
2019-10-13 23:22:30 +08:00
super.xyz
working on dissociations
2019-10-13 19:01:42 +08:00