I have a problem with running DDEC6 when I used Palladium (Pd) cluster, the main issue was that there were no
DDEC6_even_templered_net_atomic_charges.xyz files came out at all. I noticed that the summed density is a negative value, which should be zero instead. I think it is probably an error from Pd metal because I have already tried it with another metal, and it's working.
I have been trying to change the parameters in INCAR when I ran the single-point calculation from VASP to get CHGCAR and AECCAR2, but it has not worked still (for instance, changing ALGO, ISPIN, or ADDGRID).
I would greatly appreciate it if you could give me any suggestions for solving this problem.