Hi everybody!
I'm an italian undergraduate student. I'm new in the field of computational
chemistry.
I found that in Dalton input plugin when I ask for excitation energy it
reports:
**DALTON INPUT
.RUN PROPERTIES
**WAVE FUNCTIONS
.HF
**PROPERTIES
.EXCITA
8
**END OF DALTON INPUT
This doesn't work for me, I think the correct sintax would be:
**DALTON INPUT
.RUN PROPERTIES
**WAVE FUNCTIONS
.HF
**PROPERTIES
.EXCITA
*EXCITA
.NEXCIT
8
**END OF DALTON INPUT
Maybe I'll try to develop a UV-Vis spectra generator from Dalton output for
my undegraduate thesis.
Do you think it could be an useful plugin to implement?
Thank you in advance for your replies.
--
Paolo Posocco
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