C.1 Q-Chem Text Input Summary

C.1.16 Keyword: $plots

(May 16, 2021)

$plots
       One comment line
       Specification of the 3–D mesh of points on 3 lines:
             Nxxminxmax
             Nyyminymax
             Nzzminzmax
       A line with 4 integers indicating how many things to plot:
             NMONRhoNTransNDA
       An optional line with the integer list of MO’s to evaluate (only if NMO>0)
             MO(1)  MO(2) MO(NMO)
       An optional line with the integer list of densities to evaluate (only if NRho>0)
             Rho(1)  Rho(2) Rho(NRho)
       An optional line with the integer list of transition densities (only if NTrans>0)
             Trans(1)  Trans(2) Trans(NTrans)
       An optional line with states for detachment/attachment densities (if NDA>0)
             DA(1)  DA(2) DA(NDA)
$end