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- Wed Mar 25, 2020 11:11 pm
- Forum: Other tools and postprocessing in ABINIT
- Topic: Error Running AIM Utility (valence electron mismatch while using .FC file from website)
- Replies: 0
- Views: 7205
Error Running AIM Utility (valence electron mismatch while using .FC file from website)
I was trying to do a Bader analysis on several simple crystals. I am using the electron density obtained from a ground state calculation using PBE. For the Bader analysis I used the core density found in the Abinit page: https://www.abinit.org/downloads/core_electron. Unfortunately, when I run AIM f...