The calculated values are affected by lattice constant, selection of pseudopotential and selection of exchange-correlation energy.
晶格
优化、赝势选取和交换关联项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.
晶格优化、赝势选取和交换关联项选择都对计算结果有较大影响。
声
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内容亦不代本软件
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