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小木虫: 金币+0.5, 给个红包，谢谢回帖
hustren008: 金币+5, Thanks！ 2012-12-10 20:03:17
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Pseudopotentials requiring high cutoff energies are said to be hard, while more computationally efficient pseudopotentials with low cutoff energies are soft. The most widely used method of defining pseudopotentials is based on work by Vanderbilt; these are the ultrasoft pseudopotentials (USPPs). As their name suggests, these pseudopotentials require substantially lower cutoff energies than alternative approaches. |
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