While running a 2x2x2 bulk system of VPt8, I am encountering this error...
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| Error reading item MAGMOM from file INCAR. |
| Error code was IERR= 5 ... . |
Can anyone shed some light as to why I am facing this error?
Error while running VPt8
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fabien_tran1
- Global Moderator
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Re: Error while running VPt8
As indicated on the forum posting guidelines (forum/viewtopic.php?f=4&t=17928), you need to provide the input files. Otherwise, it is impossible to figure out what you did wrong.
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subhomoy_gupta
- Newbie
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Setting MAGMOM
When I set MAGMOM for ferromagnetic materials, I usually write
MAGMOM = (no. of atomic species 1 in the POSCAR file)*(1.5*no. of unpaired electrons of atom1) (no. of atomic species 2 in the POSCAR file)*(1.5*no. of unpaired electrons of atom2)
My question is, ow do you set MAGMOM for a non-magnetic material?
MAGMOM = (no. of atomic species 1 in the POSCAR file)*(1.5*no. of unpaired electrons of atom1) (no. of atomic species 2 in the POSCAR file)*(1.5*no. of unpaired electrons of atom2)
My question is, ow do you set MAGMOM for a non-magnetic material?
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fabien_tran1
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Re: Error while running VPt8
The usage of MAGMOM is explained here: https://www.vasp.at/wiki/index.php/MAGMOM
Non-magnetic means no magnetization and the magnetic moment are zero, i.e., "MAGMOM=NIONS*0.0" (for the noncollinear case), where NIONS is the number of atoms in the cell.
Non-magnetic means no magnetization and the magnetic moment are zero, i.e., "MAGMOM=NIONS*0.0" (for the noncollinear case), where NIONS is the number of atoms in the cell.