Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe7O7
XC: PBE
Energy:
-307.799191 Ha
(-8,375.64 eV, -193,146.9 kcal/mol)
Enthalpy:
-307.752344 Ha
(-8,374.37 eV, -193,117.5 kcal/mol)
ฮ(H โ E):
0.046847 Ha
(1.27 eV, 29.4 kcal/mol)
Entropy: 91.34 cal molโปยน Kโปยน
Charge: 0
Multiplicity: 15
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) |