[CPMD-list] how to calculate the H monovalent cation

[Rongjian Sa]

Dear CPMD list,

 I want to calculate some properties of H monovalent cation. But all my attempt was failed. However, when I changed the charge from 1 to 0, the calculation was succeed. Would you please tell me what I should do to get my calculation succeed?
Sincerely yours,
Rongjian
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