Search found 2 matches
- Tue Jan 06, 2009 6:00 pm
- Forum: Bader
- Topic: Core charge
- Replies: 31
- Views: 358142
Re: Core charge
Yes. PAW potentials were used in the calculations.
- Tue Jan 06, 2009 4:12 pm
- Forum: Bader
- Topic: Core charge
- Replies: 31
- Views: 358142
Re: Core charge
I've used LAECHG = .TRUE. to generate charge density for a large system. However, only AECCAR0 and AECCAR1 files were generated and there was no AECCAR2.
Have you encountered similar problem before? Can I use CHGCAR to replace AECCAR2 for valence charge density?
Many thanks!
JD
Have you encountered similar problem before? Can I use CHGCAR to replace AECCAR2 for valence charge density?
Many thanks!
JD