[DFTB-Plus-User] (no subject)
Zhu, Lingyun
lzhu34 at mail.gatech.edu
Wed Aug 27 19:55:13 CEST 2008
Dear Balint,
I want to calculate the vibration spectrum for charge-transfer complexes. Is
it available for the current DFTB+ version? From the home websit of DFTB+ I
see that it will be added vibration calulations in version 1.1 . When will
this new version be released?
Thank you very much and best regards,
Lingyun
--
Dr. Lingyun Zhu
School of Chemistry and Biochemistry
Georgia Institute of Technology
Atlanta,Georgia,30332-0400
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