From NWChem
You are viewing a single post from the thread title above
|
Just Got Here
Threads 1
Posts 1
|
|
5:25:59 AM PDT - Thu, Oct 11th 2012 |
|
Hello there,
I have calculated CD spectra in NWchem 6.1 using
TDDFT
CIS
NROOTS 100
MAXVECS 1000
SINGLET
TARGET 1
THRESH 1e-4
MAXITER 100
CDSPECTRUM
END
My question is what software can plot the obtained CD spectrum?
Thanks in advance
|
Edited On 8:46:39 AM PDT - Fri, Oct 12th 2012 by FloresA
|
|
|
AWC's:
2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC