| 8:01:33 AM PDT - Tue, Sep 25th 2012 |
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Hello,
I am wondering if there is a way to solve more roots in a TCE calculation without needing to resolve for the ones already computed. So for example if a set NROOTS 5 , and after the calculation is finished i was not able to locate my excited state of interest, and need to run another calculation and solve for 5 additional roots. Can we read the first 5 solved roots from the previous calculation and just solve for the additional 5, or all the roots will have to be resolved.
This is particularly valuable for coupled clusters calculations. Thanks in advance.
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