Error in Syntax for SAXIS

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Error in Syntax for SAXIS

Postby dscullion12 » 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
dscullion12
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