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Ldau Vasp ldau vasp. Vasp- Vagabundos Anonimos ...

00 Note that for LDAUTYPE=3 the LDAUU and LDAUJ tags specify the strength (in eV) of ... 该方法用法简单，只需在INCAR中加入开关IVDW=1（或者IVDW=10）即可。

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