Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Co2Fe30O47
XC: PBE
Energy:
-1662.114083 Ha
(-45,228.43 eV, -1,042,992.3 kcal/mol)
Enthalpy:
-1661.826556 Ha
(-45,220.60 eV, -1,042,811.9 kcal/mol)
ฮ(H โ E):
0.287527 Ha
(7.82 eV, 180.4 kcal/mol)
Entropy: 329.79 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) |