GGA_COMPAT
Posted: Tue Mar 15, 2011 11:23 pm
Even though the manual says, on the page on LSORBIT,
"If you have read the previous lines, you will realize that it is recommended to set GGA_COMPAT=.FALSE. for non collinear calculations in VASP.4.6, since this improves the numerical precision of GGA calculations. "
I could not find any information on this key word anywhere. Could someone explain what GGA_COMPAT does?
"If you have read the previous lines, you will realize that it is recommended to set GGA_COMPAT=.FALSE. for non collinear calculations in VASP.4.6, since this improves the numerical precision of GGA calculations. "
I could not find any information on this key word anywhere. Could someone explain what GGA_COMPAT does?