Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe8O9
XC: PBE
Energy:
-367.756917 Ha
(-10,007.18 eV, -230,770.9 kcal/mol)
Enthalpy:
-367.699610 Ha
(-10,005.62 eV, -230,735.0 kcal/mol)
ฮ(H โ E):
0.057307 Ha
(1.56 eV, 36.0 kcal/mol)
Entropy: 111.41 cal molโปยน Kโปยน
Charge: 0
Multiplicity: 1
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) |