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?
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- Sun Aug 29, 2021 4:25 pm
- Forum: Bader
- Topic: Ordering of charges in acf.dat
- Replies: 1
- Views: 16245