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PBE_atomization_energies.txt
Mar 9, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK
Plain Text - 136.1 KB - MD5: 3366615757465ca5df7f43e7f637cf5e
PBE_dipole_moments.txt
Mar 9, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK
Plain Text - 128.5 KB - MD5: c20ba5a870db66b393107a5b7c69d434
PBE_molecular_energies.txt
Mar 9, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK
Plain Text - 144.1 KB - MD5: 88a0c12e8d86f87a954e173318d38291
LDA_atomic_energies.txt
Feb 27, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK
Plain Text - 9.7 KB - MD5: e32872dfc21707e26ca366c071850ea2
PBE0_atomic_energies.txt
Feb 27, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK
Plain Text - 12.0 KB - MD5: d49fc8d12be53ee51fa824624f6d3c83
PBE0_atomization_energies.txt
Feb 27, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK
Plain Text - 101.9 KB - MD5: 698bafb3107d7335f27038ab83c56f21
PBE0_dipole_moments.txt
Feb 27, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK
Plain Text - 97.4 KB - MD5: 4a54a550a42edd8831482d20147e9674
PBE0_molecular_energies.txt
Feb 27, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK
Plain Text - 104.0 KB - MD5: 5ec63f3158546083e19d6e3f97810c5e
geometries.txt
Feb 15, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK
Plain Text - 80.9 KB - MD5: b0929027cd007efca9f4b3652763f6a9
README.txt
Feb 15, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK
Plain Text - 987 B - MD5: 7676279a9bd51bf9b23b53aba15afb8c
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