C.1 Q-Chem Text Input Summary C.1.16 Keyword: $svpirfC.1.18 Keyword: $localized_diabatization

C.1.17 Keyword: $plots

(February 4, 2022)

$plots
       One comment line
       Specification of the 3–D mesh of points on 3 lines:
             $N_{x}\quad x_{\mathrm{min}}\quad x_{\mathrm{max}}$
             $N_{y}\quad y_{\mathrm{min}}\quad y_{\mathrm{max}}$
             $N_{z}\quad z_{\mathrm{min}}\quad z_{\mathrm{max}}$
       A line with 4 integers indicating how many things to plot:
             $N_{\mathrm{MO}}\quad N_{\mathrm{Rho}}\quad N_{\mathrm{Trans}}\quad N_{\mathrm{% DA}}$
       An optional line with the integer list of MO’s to evaluate (only if $N_{\mathrm{MO}}>0$ )
             MO(1)  MO(2) $\ldots$ MO( $N_{\mathrm{MO}}$ )
       An optional line with the integer list of densities to evaluate (only if $N_{\mathrm{Rho}}>0$ )
             Rho(1)  Rho(2) $\ldots$ Rho( $N_{\mathrm{Rho}}$ )
       An optional line with the integer list of transition densities (only if $N_{\mathrm{Trans}}>0$ )
             Trans(1)  Trans(2) $\ldots$ Trans( $N_{\mathrm{Trans}}$ )
       An optional line with states for detachment/attachment densities (if $N_{\mathrm{DA}}>0$ )
             DA(1)  DA(2) $\ldots$ DA( $N_{\mathrm{DA}}$ )
$end

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C.1.17 Keyword: $plots