[DFTB-Plus-User] About DFTB+ Band Structure Calculation Output File

Zhu, Junmian zhujunmi at grinnell.edu
Tue Jun 18 23:36:08 CEST 2019


Dear DFTB+ Community,

Is there an explanation of the file band.out file generated by the DFTB+ band structure calculation? I did not find that on the DFTB+ 18.2 Manual. If possible, please update the manual about this information.

Thank you very much,

Junmian Zhu


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