liuyuhang599/Battery-cathode-material-DFT-calculation-toolkit
Create POSCARs to calculate the energy barrier of the "layered to spinel transformation" in doped cathode materials, e.g. LiCoO2, LiNiO2.
Create POSCARs to calculate the energy barrier of the "layered to spinel transformation" in doped cathode materials, e.g. LiCoO2, LiNiO2.