Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe8O7
XC: PBE
Energy:
-335.824700 Ha
(-9,138.26 eV, -210,733.2 kcal/mol)
Enthalpy:
-335.774785 Ha
(-9,136.90 eV, -210,701.9 kcal/mol)
ฮ(H โ E):
0.049915 Ha
(1.36 eV, 31.3 kcal/mol)
Entropy: 96.84 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) |