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- 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 ...