The calculated values are affected by lattice constant, selection of pseudopotential and selection of exchange-correlation energy.
晶格参数的优化、赝势的选取和交换关联项的选择都对计算结果有较大影响。
单词 | Lattice constants |
释义 |
Lattice constants
英语例句库
The calculated values are affected by lattice constant, selection of pseudopotential and selection of exchange-correlation energy. 晶格参数的优化、赝势的选取和交换关联项的选择都对计算结果有较大影响。
中文百科
晶格常数 Lattice constant(重定向自Lattice constants)
![]() 晶格常数(英语:lattice constant),或称晶格参数(英语:lattice parameter),是指晶格中晶胞的物理尺寸。三维空间中的晶格一般有 3 个晶格常数,分别用 a, b 和 c 来表示。但在立方晶体结构这一特殊情形下,这 3 个常数都相等,故仅用 a 来表示。类似的情形还有六方晶系结构,其中 a 和 b 这两个常数相等,因此我们只用 a 和 c。一族晶格常数也可合称为晶格参数 (lattice parameter)。但实际上,完整的晶格参数应当由 3 个晶格常数和 3 个夹角来描述。
英语百科
Lattice constant 晶格常数(重定向自Lattice constants)
![]() ![]() ![]() ![]() The lattice constant, or lattice parameter, refers to the physical dimension of unit cells in a crystal lattice. Lattices in three dimensions generally have three lattice constants, referred to as a, b, and c. However, in the special case of cubic crystal structures, all of the constants are equal and we only refer to a. Similarly, in crystal structures, the a and b constants are equal, and we only refer to the a and c constants. A group of lattice constants could be referred to as lattice parameters. However, the full set of lattice parameters consist of the three lattice constants and the three angles between them. |
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