Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe5O8
XC: PBE
Energy:
-267.686998 Ha
(-7,284.13 eV, -167,976.1 kcal/mol)
Enthalpy:
-267.641585 Ha
(-7,282.90 eV, -167,947.6 kcal/mol)
ฮ(H โ E):
0.045413 Ha
(1.24 eV, 28.5 kcal/mol)
Entropy: 81.52 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) |