Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe6O6
XC: PBE
Energy:
-263.818029 Ha
(-7,178.85 eV, -165,548.3 kcal/mol)
Enthalpy:
-263.777878 Ha
(-7,177.76 eV, -165,523.1 kcal/mol)
ฮ(H โ E):
0.040151 Ha
(1.09 eV, 25.2 kcal/mol)
Entropy: 77.25 cal molโปยน Kโปยน
Charge: 0
Multiplicity: 11
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) |