Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe4O6
XC: PBE
Energy:
-207.999269 Ha
(-5,659.95 eV, -130,521.5 kcal/mol)
Enthalpy:
-207.962027 Ha
(-5,658.93 eV, -130,498.1 kcal/mol)
ฮ(H โ E):
0.037242 Ha
(1.01 eV, 23.4 kcal/mol)
Entropy: 42.00 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) |