Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe32O48
XC: PBE
Energy:
-1664.043351 Ha
(-45,280.93 eV, -1,044,203.0 kcal/mol)
Enthalpy:
-1663.756907 Ha
(-45,273.13 eV, -1,044,023.2 kcal/mol)
ฮ(H โ E):
0.286444 Ha
(7.79 eV, 179.7 kcal/mol)
Entropy: 359.65 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) |