Color spins:
Magnetic Graph
Click Graph (network) or Matrix (pairwise view)
Formula: F10Fe4H8O4
XC: PBE
Energy:
-423.118320 Ha
(-11,513.64 eV, -265,510.8 kcal/mol)
Enthalpy:
-422.958428 Ha
(-11,509.29 eV, -265,410.4 kcal/mol)
ฮ(H โ E):
0.159892 Ha
(4.35 eV, 100.3 kcal/mol)
Entropy: 85.83 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) |