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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20080327/7150cf39/attachment.htm>


More information about the CP2K-user mailing list