[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,

    Dr. Lingyun Zhu
    School of Chemistry and Biochemistry
    Georgia Institute of Technology

More information about the DFTB-Plus-User mailing list