Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Fe24H24O48
XC: PBE
Energy:
-1454.357782 Ha
(-39,575.09 eV, -912,623.3 kcal/mol)
Enthalpy:
-1453.822599 Ha
(-39,560.53 eV, -912,287.5 kcal/mol)
ฮ(H โ E):
0.535183 Ha
(14.56 eV, 335.8 kcal/mol)
Entropy: 303.03 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) |