• SCF calculation
• DOS calculation
• Bandsctructure calculation
• HSE SCF calculation
• HSE bandsctructure calculation
• Crystal Structure Optimization (only relax atomic position)
• Crystal Structure Optimization (both atomic position and cell shape)
• HSE Relaxation calculation
• Charge system relaxation calculation
• Ab Initio Molecular Dynamics
• Spin-polarized calculation
• Spin-orbit coupling bandstructure calculation without magnetic moment
• Spin-orbit coupling with noncollinear magnetization calculation
• DFT+U Calculation
• Transition dipole moment calculation exclude local field
• Transition dipole moment calculation include local field
• NEB (nudged elastic band) calculation
• NEB (nudged elastic band) calculation
• NEB (nudged elastic band) calculation
• NEB (nudged elastic band) calculation
• Dimer method to calculate saddle point

• Simple examples

Linear model

• Bulk SiC system

Neural Network model

• Molecure Ethylene carbonate system

Deep Potential model

• Bulk Cu system
• Bulk Si system (Active Leanring)