Error in Syntax for SAXIS
Posted: Wed Apr 27, 2016 3:53 pm
Dear VASP users,
While trying to carry out spin orbit coupling calculations using VASP I came across an error in the Syntax for the flag SAXIS.
In the manual: http://cms.mpi.univie.ac.at/wiki/index.php/SAXIS
It states the default value is
Default: SAXIS = (0+, 0, 1)
However, this is not allowed and an error of
Error reading item 'SAXIS' from file INCAR.
Error code was IERR=5 ... . Found N= 0 data.
is returned which is most likely due to a syntax error.
The correct format is
SAXIS = 0 0 1
as the + sign is not allowed either.
This is more for anyone who has came across a similar problem with these calculations.
Kind Regards,
Declan
While trying to carry out spin orbit coupling calculations using VASP I came across an error in the Syntax for the flag SAXIS.
In the manual: http://cms.mpi.univie.ac.at/wiki/index.php/SAXIS
It states the default value is
Default: SAXIS = (0+, 0, 1)
However, this is not allowed and an error of
Error reading item 'SAXIS' from file INCAR.
Error code was IERR=5 ... . Found N= 0 data.
is returned which is most likely due to a syntax error.
The correct format is
SAXIS = 0 0 1
as the + sign is not allowed either.
This is more for anyone who has came across a similar problem with these calculations.
Kind Regards,
Declan