[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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