[DFTB-Plus-User] printing cell vectors in MD runs

Morteza Chehelamirani morteza.amirani at gmail.com
Fri Aug 18 20:29:04 CEST 2023


Hello

I need to save the cell vectors at each time step of an MD simulation of a
crystal structure using DFTB+. Apparently the cell vectors are not printed
in the output and only atom coordinates are printed. Just wondering if
there is a keyword to do it or I need to modify the source to print them

Sincerely,
Morteza Chehel Amirani, PhD
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