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[CASTEP/Dmol3/MS] 优化构建的金属团簇时CASTEP报错,求解决

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Warning: There are no empty bands for at least one kpoint and spin; this may
          slow the convergence and/or lead to an inaccurate groundstate.
          If this warning persists, you should consider increasing nextra_bands
          and/or reducing smearing_width in the param file.
          Recommend using nextra_bands of 30 to 37.



Nanocluster.castep

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Nanocluster.cell

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Nanocluster.param

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Nanocluster.xsd

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