This a Scaling function definition Image cutoff ratio for H = 3 -This is a Scaling function definition Image cutoff ratio for H = 3

This a Scaling function definition Image cutoff ratio for H = 3 -This is a Scaling function definition Image cutoff ratio for H = 3

VASP计算POTCAR赝势文件 主要用于分子结构计算模拟(POTCAR of oxygen The projector augmented wave (PAW) potentials was employed and the energy cutoff of 400 eV was used. The generalized gradient approximation (GGA) with the Perdew-Burke-Ernzerhof (PBE) function was adopte