Tutorials

gpumd tutorials

• Thermal Expansion
• Density of States
• Thermal Conductivity from EMD
• Thermal Transport from NEMD
• Thermal Transport from HNEMD
• Phonon Dispersion
• Phonon-Vibration-Viewer (For GPUMD)

nep tutorials

• Constructing a NEP model
• Constructing a NEP dipole model
• Constructing a NEP polarizability model

Other tutorials

• Phonon participation ratio: Calculating the phonon participation ratio in the frequency domain for prsitine and defect graphene

• Elastic constant: Elastic constant calculations from strain fluctuations