Hi,
I am doing calculations with the LAECHG flag.
I am wondering what is the difference between the CHGCAR file
and the file AECCAR2?
Thanks for your answers.
LAECHG and CHGCAR
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Franky
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LAECHG and CHGCAR
Last edited by Franky on Wed Apr 22, 2009 5:17 pm, edited 1 time in total.
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Franky
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- Joined: Mon Apr 10, 2006 1:05 pm
- License Nr.: Research Group E. Pehlke
LAECHG and CHGCAR
I cant tell from the source code a 100%
but are the CHGCAR and AECCAR2 related
by equation (3) from Kresse, Joubert, PRB 59, 1758 (1999) ?
but are the CHGCAR and AECCAR2 related
by equation (3) from Kresse, Joubert, PRB 59, 1758 (1999) ?
Last edited by Franky on Thu Apr 23, 2009 10:25 am, edited 1 time in total.