Tutorial
Warning
This page is under construction
Convergence study with respect to the plane-wave cutoff and supercell size, and structural optimization
Convergence study with respect to the plane-wave cutoff and number of k-points, and cell optimization
Convergence study with respect to the number of k-points with smearing and tetrahedron methods for a metallic system
Optimization of a crystal with two or more lattice parameters
Calculation of a spin polarized molecule
Calculation of a spin polarized molecule and atom (for atomization energy)
Calculation of molecular orbitals
Calculation of molecular orbital / wave function densities
Vibrational mode analysis
Nudged elastic band calculation
Calculations of band structure and density of states
Calculation of band structure and density of states for a magnetic system
Calculation of band structure and density of states for a magnetic system
Carbon monoxide on platinum (111) surface
Crystal orbital overlap population analysis of an adsorption system
Monolayer molybdenum disulfied
Optimization of the lattice constant of a layered material with internal degree of freedom
Aluminum adsorbed silicon (111) surface
Calculation of an electrified surface with the effective screening medium method