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- Sat Feb 13, 2021 11:01 pm
- Forum: Bader
- Topic: CASTEP Core Charge + Grid Convergence
- Replies: 0
- Views: 5649
Dear all, I'm using CASTEP to get the charge density in .den_fmt format, and then using the den2vasp tool to produce a CHGCAR file that I then give to bader. I'm using ultrasoft pseudopotentials in CASTEP. This whole process seems to work well, at least in the sense that no errors are produced and t...