Barsha Bhattacharjee

I am trying to calculate the DDEC6 charges for my system for which I use VASP (version 6.4) as my electronic structure code but seem to fail due to the following errors: 1. If I use the older 2017 version, I get the following error " Atomic symbol not properly identified. Program will terminate." The examples work well (tried with precompiled Windows-64bit-parallel GUI). 2. If I try the new version I am unsure where to obtain the smooth_atomic_densities from. Apologies for my oversight if it is already...