- 追加された行はこの色です。
- 削除された行はこの色です。
[[計算コードの使い方/STATE]]
STATE Tutorial
H2 Energy (Convergence), Equilibrium atomic distance
Si Bulk Cell structure (dia), Lattice Symmetry (Space group=227), Energy (Convergence), Equilibrium cell constant, Visualization of electron density distribution
Al Bulk Cell structure (fcc), Lattice Symmetry (Space group=225), DOS, Equilibrium cell constant
Ni Bulk spin polarization, DOS, Equilibrium cell constant
C2H4 Finite temperature MD, Visualization of atomic motion, Vibration analysis
Cl on Au surface Stable adsorption site (on top, bridge, hollow), NEB, CINEB
??? Band structure
Structure and Space group
http://cst-www.nrl.navy.mil/lattice/index.html