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.
SAXIS Error when attemping SOC calculations
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SAXIS Error when attemping SOC calculations
Last edited by jlbettis on Thu Mar 11, 2010 1:28 am, edited 1 time in total.
VASP 5.2.11
Cray XE6
Cray XE6
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SAXIS Error when attemping SOC calculations
Not sure what my mistake was... I was in the process of "ftp-ing" in one program and executing in another. At some point I renamed my soc-modded vasp executable in the bin directory and my batch submit file. I restarted my ssh and ftp apps, and re-uploaded my setup files; and now everything is working fine. :?
Last edited by jlbettis on Thu Mar 11, 2010 2:32 am, edited 1 time in total.
VASP 5.2.11
Cray XE6
Cray XE6
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- Newbie
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SAXIS Error when attemping SOC calculations
try to comment ISPIN=2, maybe this tag cause the problem.
Last edited by jzzhao on Fri Apr 30, 2010 3:29 am, edited 1 time in total.