Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe6O10
XC: PBE
Energy:
-327.620612 Ha
(-8,915.01 eV, -205,585.0 kcal/mol)
Enthalpy:
-327.563524 Ha
(-8,913.46 eV, -205,549.2 kcal/mol)
ฮ(H โ E):
0.057088 Ha
(1.55 eV, 35.8 kcal/mol)
Entropy: 93.69 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) |