Hi, The QM/MM version is not distributed with siesta right now. Maybe it will be in the future, but I don't know. I've never used it, so I can't comment on it.
Regards, Eduardo On 14/04/2008, at 10:32, 跃斌 张 wrote:
Dear Siesta Users,
how to mix the hybird QM/MM calculation with SIESTA
code
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