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Band_Analysis.tar
- The code Band_Analysis can symmetrize the band dispersions calculated using VASP (Vienna Ab-initio Simulation Package), and it also can calculate the projections of each orbital on each atom.
vaspview-1.05-source
- processing data of vasp
vaspgui-0.04
- for vasp code and interface of vaspe 4.5.1
POTCAR O
- 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
激子寿命
- 本程序用python计算激子寿命，处理vasp输出的后续程序(Calculations of exciton lifetime)