| 6:53:50 AM PST - Tue, Jan 31st 2017 |
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I was unable to reproduce the error your describe, even after making the modification to the source code that you said you made, i.e. my results were consistent between runs.
Were you getting consistent results if you repeated the same calculation before you modified the source code?
Also, please note that RT-TDDFT is implemented within the Gaussian basis set part of NWChem and not within the plane wave part of NWChem. This means that the code is ignoring the NWPW block of your input file, and your system is not being treated with periodic boundary conditions.
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