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。
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。
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