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6b9ed78ede
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
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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