Good Evening All,
I'm trying to obtain the Absorbance spectra of a gold dimer. Specifically I'm trying to use the long range corrected version of wPBE using the input values from the NwChem documentation
I'm getting the following error when I try to run it.
xc_input: invalid format 0
Here is the input
SCRATCH_DIR ./scratch
PERMANENT_DIR ./restart
echo
start gold_dimer_spectra
title "Gold lanl2dz LC-wPBE Spectra"
geometry units angstroms
symmetry c1
Au 0.00000000 0.00000000 -1.30000000
Au 0.00000000 0.00000000 1.3000000
end
basis
Au library "lanl2dz ecp"
end
ecp
Au library "lanl2dz ecp"
end
DFT
xc xwpbe 1.00 cpbe96 1.0 hfexch 1.00
cam 0.3 cam_alpha 0.00 cam_beta 1.00
END
TDDFT
NROOTS 10
FREEZE atomic
END
TASK TDDFT FREQUENCIES
Any suggestions are appreciated.
Sincerely,
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