Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe7O8
XC: PBE
Energy:
-323.829204 Ha
(-8,811.84 eV, -203,205.9 kcal/mol)
Enthalpy:
-323.778063 Ha
(-8,810.45 eV, -203,173.8 kcal/mol)
ฮ(H โ E):
0.051141 Ha
(1.39 eV, 32.1 kcal/mol)
Entropy: 93.85 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) |