To use postg, you will need the parameters for the damping function, which depend on the exchange-correlation functional you are using and also on the basis set (if it is far from complete). A list of parameters is shipped with the postg distribution (a file called xdm.param) and can...
Jana got approval for the software, but it wasn't able to give them the numbers they needed to calculate a reliable CLV for the business. It turns out calculating CLV wasn’t a priority when the business started and there were limited resources to update systems to collect this information....