SAXIS Error when attemping SOC calculations
Posted: Thu Mar 11, 2010 1:28 am
My error when executing:
POSCAR found : 4 types and 24 ions
Error reading item 'SAXIS' from file INCAR.
Error code was IERR=0 ... . Found N= 2 data
INCAR:
LSORBIT = .TRUE.
ISPIN = 2 # switch on the spin polarized calc
MAGMOM = 12*0 1.2 1.2 -1.4 1.2 1.2 -1.4 6*0 48*0
SAXIS=0 0 1
LORBMOM = .TRUE.
GGA_COMPAT = .FALSE.
ICHARG = 2
My problem:
I set up the MAGMOM line properly, ie 3 coords per atom. So I am very confused with my problem reading SAXIS!?!?!? I have recompiled vasp to run SOC calcs, ie no -hDwZG errors. If any one has any suggestions, they will be greatly appreciated.
POSCAR found : 4 types and 24 ions
Error reading item 'SAXIS' from file INCAR.
Error code was IERR=0 ... . Found N= 2 data
INCAR:
LSORBIT = .TRUE.
ISPIN = 2 # switch on the spin polarized calc
MAGMOM = 12*0 1.2 1.2 -1.4 1.2 1.2 -1.4 6*0 48*0
SAXIS=0 0 1
LORBMOM = .TRUE.
GGA_COMPAT = .FALSE.
ICHARG = 2
My problem:
I set up the MAGMOM line properly, ie 3 coords per atom. So I am very confused with my problem reading SAXIS!?!?!? I have recompiled vasp to run SOC calcs, ie no -hDwZG errors. If any one has any suggestions, they will be greatly appreciated.