a question
chaishuo
chai... at dicp.ac.cn
Thu Mar 27 12:32:41 UTC 2008
Dear all,
I am a new user of the cp2k and I can't get the detailed manual of this program package. Now I use it to perform molecular dynamics simulations, I would like to know whether MD in the excited state is available. Namely whether it could perform MD using TDDFT module. I have tried to edit an input file like this but there are always errors to implement.Can somebody provide me with a sample input section for that?
Thanks.
Sara
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