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LAECHG and CHGCAR

Posted: Wed Apr 22, 2009 5:17 pm
by Franky
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

Posted: Thu Apr 23, 2009 10:25 am
by Franky
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) ?