Search found 1 match
- Tue Nov 13, 2012 4:02 am
- Forum: Bader
- Topic: what's the difference between AECCAR2 and CHGCAR?
- Replies: 1
- Views: 12542
what's the difference between AECCAR2 and CHGCAR?
I want to konw the distribution about total charge (include core and valence electrons) on FFT-grid NGXF, NGYF, NGZF, similar the CHGCAR (the valence distribution on FFT-grid). Can I use the sum of AECCAR0 and AECCAR2, ie does CHGCAR_sum represents the distribution of total charge on FFT-grid ? I wo...