TURBOMOLE Modules > ccsdf12

CCSD single and doubles amplitudes

(1/1)

prasanta13:
How can I obtain the CCSD singles and doubles amplitudes? I need them to create a 2particle density matrix.

christof.haettig:
The file with the singles amplitudes can be read and converged to ASCII with the ricctools program. But there is no such option yet for the doubles amplitudes.

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