Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe3O3
XC: PBE
Energy:
-131.859617 Ha
(-3,588.08 eV, -82,743.2 kcal/mol)
Enthalpy:
-131.839726 Ha
(-3,587.54 eV, -82,730.7 kcal/mol)
ฮ(H โ E):
0.019891 Ha
(0.54 eV, 12.5 kcal/mol)
Entropy: 50.06 cal molโปยน Kโปยน
Charge: 0
Multiplicity: 5
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) |