IERR=0 Error reading item 'MAGMOM'

Problems running VASP: crashes, internal errors, "wrong" results.


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bth20
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IERR=0 Error reading item 'MAGMOM'

#1 Post by bth20 » Tue Sep 13, 2005 12:11 pm

Hi there,

A noncollinear calculation halted almost immediately with the message:

Error reading item 'MAGMOM' from file INCAR.
Error code was IERR=0 ... . Found N= 49 data.

There are 19 ions in the POSCAR file and it reads that fine. The MAGMOM line is:

MAGMOM = 0.05 -0.05 4.0 0.02 -0.07 4.0 -0.03 -0.04 4.0 0.06 0.01 4.0 0.00 -0.05 4.0 0.00 0.08 4.0 -0.05 0.03 4.0 -0.05 -0.04 4.0 0.06 -0.02 4.0 0.02 -0.04 4.0 -0.07 -0.01 4.0 -0.00 0.05 4.0 -0.03 0.06 4.0 -0.03 -0.04 4.0 0.06 0.01 4.0 0.00 -0.05 4.0 0.00 0.08 4.0 -0.05 0.03 4.0 -0.05 -0.04 4.0

which is 19 sets of 3-vectors in the form which I thought was correct for a noncollinear calculation.

Can anyone see what's wrong?

Thanks

Ben
Last edited by bth20 on Tue Sep 13, 2005 12:11 pm, edited 1 time in total.

graeme
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IERR=0 Error reading item 'MAGMOM'

#2 Post by graeme » Tue Sep 13, 2005 11:06 pm

It could be the line length. Vasp has a maximum line length of 255 char when reading variables from the INCAR, and the MAGMOM line has 294. This can be changed in the drdatab.F file in the vasp library.
Last edited by graeme on Tue Sep 13, 2005 11:06 pm, edited 1 time in total.

Veronika
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IERR=0 Error reading item 'MAGMOM'

#3 Post by Veronika » Wed Sep 14, 2005 6:26 am

Exactly. Set in the drdatab.F file (vasp.4.lib) #define LONGCHAR (at the beginning, bevor #ifdef LONGCHAR) and recompile the lib.
Last edited by Veronika on Wed Sep 14, 2005 6:26 am, edited 1 time in total.

leonabdalla

IERR=0 Error reading item 'MAGMOM'

#4 Post by leonabdalla » Wed Mar 14, 2012 11:28 pm

I am having a similar problem but now i have 181 x 3(vector), variable in the magnon line, what should i change in the drdatab.F file?
Last edited by leonabdalla on Wed Mar 14, 2012 11:28 pm, edited 1 time in total.

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