How to fix this error "Error reading item 'MAGMOM' from file INCAR. Error code was IERR=0 ... . Found N= 32 data." in VASP?

29 September 2022 1 8K Report

Hello everyone, I am getting this error while running a non-collinear calculation in VASP. My MAGMOM tag does not exceed 255 characters. I have a total of 16 atoms (4+8+4) in my POSCAR file. Here is a part of my INCAR file -

I_CONSTRAINED_M = 1

M_CONSTR = 12*0.0 1 0 0 1 0 0 1 0 0 1 0 0 1 0 0 1 0 0 1 0 0 1 0 0 12*0.0

MAGMOM = 12*0.0 $M1x $M1y $M1z $M2x $M2y $M2z $M3x $M3y $M3z $M4x $M4y $M4z $M5x $M5y $M5z $M6x $M6y $M6z $M7x $M7y $M7z $M8x $M8y $M8z 12*0.0

Please help me solve the issue. Thank you.

Peter Klaver

Hi Bhargab,

It might be a parsing error, where either the variables or the 12*0.0 is not being processed properly. As a very simple first try I would put in the 48 actual numbers on the MAGMOM line, and see if VASP will accept those.

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