Ordering of charges in acf.dat
Posted: Sun Aug 29, 2021 4:25 pm
HI there
I am a new user of the Bader code and I just wanted to know what order the charges in the acf.dat file are given. Am I correct in saying that they are ordered in the same order as the poscar/contcar?
I am a new user of the Bader code and I just wanted to know what order the charges in the acf.dat file are given. Am I correct in saying that they are ordered in the same order as the poscar/contcar?