Hello, I am using NWChem 6.6 to calculate the Raman activity of large molecules that have very large Raman intensities. When the intensities grow to large they no longer output numbers, and only output asterisk instead of the value (Example below). Is this fixed in version 6.8, or where might I extend the length of the space granted to output the value?
-Thank you
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normal Raman Scattering Plot
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Excitation wavelength 514.50 nm
Convolution lineshape is lorentzian
FWHM 20.00 1/cm
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# of frequencies : 150
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# freq [ 1/cm] S [Ang**4/amu]
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1 15.60**************
2 23.50**************
3 23.66**************
4 32.21**************
5 32.38**************
6 41.45**************
7 41.72**************
8 51.39**************
9 51.55**************
10 62.08**************
11 62.31**************
12 73.58**************
13 73.66**************
14 76.83**************
15 86.07**************
16 86.15**************
17 99.29**************
18 99.35**************
19 113.48**************
20 113.74**************
21 128.72**************
22 128.86**************
23 144.77**************
24 145.08**************
25 151.93**************
26 161.80**************
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