[DFTB-Plus-User] Eigenvector file output

Gautam Jha gautam.jha at mailbox.tu-dresden.de
Thu Jun 1 15:57:16 CEST 2023


Dear DFTB+ community,


I have a doubt regarding printing the eigenvectors of a DFTB+ calculation. My systems have 5000 atoms and printing eigenvectors of all the bands is quite computationally expensive. Is there any way to print the eigenvectors of some specific bands rather than all bands?


Kind regards,

Gautam Jha

TU Dresden
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