[CPMD-list] the calculation of H monovalent cation

Rongjian Sa rjsa at mail.shcnc.ac.cn
Sun Nov 18 09:33:42 CET 2001


Dear all,

  I found the cpmd can not calculate the H monovalent cation. So I wander if who can tell me how to calculate it!

Best wishes!
Sincerely yours,
Rongjian Sa
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