[DFTB-Plus-User] mode problem

xhzha at mail.ustc.edu.cn xhzha at mail.ustc.edu.cn
Mon Oct 10 15:26:35 CEST 2011


Dear all, 
      I am trying to calculate phonon mode of my system.  I could't find the MODE  program on the www.dftb-plus.info website although the mode mannual and input file example was found. To my knowledge, the density functional pertubation theory (DFPT) and frozen phonon approach were generally applied in most computational software. what's the principle of the MODE program in DFTB+? Could you tell me where to obtain the MODE program and its principle? Thank you very much!






Best regards to you!


Zha
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20111010/c776b6cd/attachment.htm>


More information about the DFTB-Plus-User mailing list