The calculated values are affected by lattice constant, selection of pseudopotential and selection of exchange-correlation energy.
晶格参数
优化、赝势
取和交换关联
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.
晶格参数优化、赝势取和交换关联择都对计算结果有较大影响。
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