Posts 1 , 2 and 3 . For this you will need to have linked gamess and nbo . Here's an example input that works: andy@carbon:~$ les...

As it turns out, while MOEDA works fine with pure and hybrid functionals, it does not appear to like PCM, giving weird results. Here's...

This is post number two in a series. Post 1 is here:  http://verahill.blogspot.com/2018/06/649-neda-in-gamess-1-recompiling-gamess.html De...