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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