Error in Syntax for SAXIS
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Error in Syntax for SAXIS
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
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- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: Error in Syntax for SAXIS
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP