The errors of lattice constant of compound are able to achieve 10-4, which basically meets the demand for measuring precision in displacive phase transition.
对该化合物晶格常数的测量误差可以达到10-4,基本上满足了对一般位移型相变测量要求的精度。
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 crystal lattice constant is an important parameter of the crystal and it changes extremely slightly.
晶体的点阵常数是晶体的重要参数,它的改变是极细微的。
And that is that the lattice energy as is depicted by the Madelung constant is dominant.
如晶格能中的马德隆常数,就十分重要。
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