由于零模参数受大地电阻率等因素影响,能量平衡保护采用了较为稳定的空间模量计算能量。
Owing to the influences of such factors as the earth resistivity on the zero module parameter, the stable space module is adopted to calculate energy for energy balance protection.
对于平衡晶格常数、体模量、结合能和能带结构的计算结果与从头算赝势方法较接近;
The calculation results for the lattice constant, bulk modulus, cohesive and electronic band structure agree with that results of ah initio pseudpotential method.
对于平衡晶格常数、体模量、结合能和能带结构的计算结果与从头算赝势方法较接近;
The calculation results for the lattice constant, bulk modulus, cohesive and electronic band structure agree with that results of ah initio pseudpotential method.
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