Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe10O9
XC: PBE
Energy:
-423.844671 Ha
(-11,533.40 eV, -265,966.5 kcal/mol)
Enthalpy:
-423.780959 Ha
(-11,531.67 eV, -265,926.6 kcal/mol)
ฮ(H โ E):
0.063712 Ha
(1.73 eV, 40.0 kcal/mol)
Entropy: 122.15 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) |