Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe6O8
XC: PBE
Energy:
-295.735065 Ha
(-8,047.36 eV, -185,576.6 kcal/mol)
Enthalpy:
-295.687012 Ha
(-8,046.05 eV, -185,546.4 kcal/mol)
ฮ(H โ E):
0.048053 Ha
(1.31 eV, 30.2 kcal/mol)
Entropy: 85.41 cal molโปยน Kโปยน
Charge: 0
Multiplicity: 11
Genome:
pspw:energy-pspw:energy-pspw:optimize-pspw:freq-pspw:wannier-pspw:wannier-pspw:wannier-pspw:pspw_dplot
Unit Cell
Pseudopotentials
Spin:
โ up
โ down
Atomic Spins:
Spin Data
| Atom |
Type |
Wannier |
DLY |
Bader |
ฮ(DโW) |
ฮ(BโW) |