You are absolutely correct, also the magnetic field breaks periodic
symmetry. In addition, it is even much MORE complicated than an electric
field, because it is gauge-dependent, (origin)
The magnetic field acts an both, the spins (via Vxc up/dn, and this is
included correctly), and on th
Sorry, my mistake. I thought you are using an electric field.
As was said before, you need bigger fields
Am 10.07.2013 19:12, schrieb majid yazdani:
Dears Prof. Blaha and Martin Pieper
Thanks for your reply
I use the unit cell for my calculations. Is this similar to the electric field?
W
Dear Majid Yazdani.
As for the unit cell: I never did the Ce example, but you should
consider how the field you applied fits into local symmetries.
As for the electronic structure changes: Apply a field B0 large enough
to have g*mu_B*B0 >> E_convergence of your SCF. When you calculate the
fi
Dears Prof. Blaha and Martin Pieper
Thanks for your reply
I use the unit cell for my calculations. Is this similar to the electric
field?
When I grep the MMTOT see that it changes. But I want to see the electronic
structure changes.
When I use this method for other cases in both FM and AFM phas
And: did you use a supercell ???
The field is of zig-zag shape to have periodic boundary conditions.
On 07/10/2013 05:06 PM, pieper wrote:
Dear Majid Yazdani,
since you indicate that you are looking for effects of the magnetic
field in the DOS, or maybe in a spaghetti band structure plot, my
Dear Majid Yazdani,
since you indicate that you are looking for effects of the magnetic
field in the DOS, or maybe in a spaghetti band structure plot, my guess
is that you are looking in the wrong place. The energy differences are
VERY small (calculate the energy of a moment of 1 Bohr magneton
Dear WIEN2k authors and users
I’m trying to calculate the effect of the external magnetic filed on the
electronic structure of my case.
I follow section 7.2 of the users guide and apply the 60 T external
magnetic field on the gamma-Ce as test with these input files for the orb
program:
[yazdani@
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