| 4:20:07 AM PDT - Wed, May 22nd 2013 |
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In the manual of nwchem I found a good tutorial for using rt_tddft. But in order to do the necessary Fourier transform of the dipole spectra on first a script in python, nw_rtparse.py which is ok. Then for the transformation you use a FFT utility, ffttd, which seems to come from the fft directory in the source tree. What is the procedure to activate and use these utilities.
jean-louis
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