Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: Co2Fe2O5S1
XC: PBE
Energy:
-216.103095 Ha
(-5,880.46 eV, -135,606.7 kcal/mol)
Enthalpy:
-216.065582 Ha
(-5,879.44 eV, -135,583.2 kcal/mol)
ฮ(H โ E):
0.037513 Ha
(1.02 eV, 23.5 kcal/mol)
Entropy: 40.64 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) |