Questions tagged [anti-ferromagnetic]
For questions involving materials showing anti-ferromagnetism, or anti-ferromagnetic coupling of electrons.
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Ferro and Antiferro magnetic
The number of all the spin up and spin down atoms must be equal in the antiferromagnetic configuration? If I have a structure including 9 atoms what should I do?
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Anti ferromagnetism of the Entropy Stabilized Oxide (ESO)
I want to do a simple SCF calculation for an entropy stabilised oxide using VASP (DFT code). The chemical formula is (CuCoMgNiZn)O (Rock salt structure) and it is anti-ferromagnetic in nature. I am ...
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How to find magnetic materials in terms of magnetic point groups?
Are there any methods to find materials in terms of the assigned magnetic point group?
For example, I know the magnetic point groups $6'mm'$ and $6'22'$, and I want to find the corresponding ...
- 14.7k
6
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How to define ferrimagnetism in Quantum ESPRESSO [closed]
I would like to pick this problem from my previous post See link.
I am clear about how to define antiferromagnetism in QE.
Here I am with another issue.
I am ...
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8
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2
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Magnetic Transition Pymatgen Error
I am trying to simulate the change in magnetic moments during a ferromagnetic to antiferromagnetic transition.
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Predicting the magnetic behaviour of Mn doped SmFeO3 [closed]
I am trying to predict the magnetic order transformations in Mn doped SmFeO3 using the MagneticStructureEnumerator class of pymatgen.
Attached is the error message:
...
- 129
11
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Charge density convergence within VASP using spin polarized DFT+U
I am noticing a possible convergence problem in a magnetic $U$ system I am studying. In the OSZICAR file I often see the rms(c) value go to about ...
- 10.6k
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Is it possible to calculate the Curie temperature for magnetic systems?
Using DFT calculations we can know the electronic and magnetic property of the system at 0 K. I am wondering if there is any computational method to know the curie temperature of magnetic materials? ...
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How can I assign spins to an non-planar Anti-Ferro Magnetic system (CoO in this case)?
I have been working with an anti-ferromagnetic material Cobalt Oxide. And in the image given below the blue spheres are Co ions. The blue spheres form a tetrahedron shape.
And I've assigned the spin ...
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