Is extraction of dipole moments from real-time TDDFT a Python command?


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Quote:Xiongyan21 May 17th 7:11 pm
Thanks a lot for your explanation.
The permission of " ./nw_rtparse.py -xdipole -px -tkick_x h2o_abs.nwo > x.dat " is denied
in the bash although the directory of contrib/parsers is entered.
This issue is beyond the scope of NWChem.

You must study how to set Linux file permissions or flags, and the different ways of invoking python scripts.

-drh