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by montywang
Fri Oct 08, 2010 7:53 am
Forum: Bader
Topic: core charge of actinide strange
Replies: 0
Views: 11655

core charge of actinide strange

Dear users: recently i am interested in actinide oxide calculation by VASP. Using the core calculation, the core charge and valence charge are obtained. However, the core charge is ridiculously large for actinide elements but in a reasonable range for O element. i am wondering if the core in strong ...