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[ÇóÖú] CATEPËãÀ­ÂüÆ×ʱ£¬ÕÒ²»µ½Ï¡ÍÁÀë×ÓµÄNorm-conservingØÍÊÆ

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Cannot run CASTEP for the given scope (disordered crystal).
The following features are not supported:
Polarisability
CASTEP does not yet support the current settings for linear response calculations.
In order to use linear response method required for calculation of polarizability:
Please choose a norm-conserving, not ultrasoft, pseudopotential for the following elements:
Yb.
ÎÒÔÚÊÆÄÜÑ¡ÔñÖÐYbÀë×ÓϱßÖ»ÓÐÈýÖÖØÍÊÆ£ºYb_00.usp, Yb_00PBE.usp, Yb_otfg.ÈýÖÖØÍÊÆ£¬Ã»ÓÐÄ£ÊØºãµÄ°¡£¬¸ÃÔõô°ì£¿
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