[DFTB-Plus-User] print eigvals, eigvecs and overlap at each MD step

[Sharma SRK Chaitanya Yamijala]

Dear all,

Is there any way to print and store eigenvalues, eigenvectors, and overlap
at each MD step during an NVE run?

Thanking you,
Sincerely,
Sharma.




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Sharma
http://www.chem.rochester.edu/groups/huo/people/
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