Re: AFM magnetization

[Hamed Vakili]

For more clarification , it works well with the main branch. With the develop branch it only outputs the first sublattice.

On Sat, Jul 6, 2024 at 5:29 AM hamedv...@gmail.com <hamedv...@gmail.com> wrote:

Hi all,

I tried to simulate an AFM with 2 sublattices. Even though I put the initial spin direction of the two sublattices to be opposite of each other, the spin output file shows parallel orientation at time=0. What am I doing wrong?

Best,

Reza

--
You received this message because you are subscribed to the Google Groups "Vampire Users" group.
To unsubscribe from this group and stop receiving emails from it, send an email to vampire-user...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/vampire-users/d2935ceb-4a3b-4be7-a25b-ac065384fcdfn%40googlegroups.com.

[gabo...@gmail.com]

In the more recent versions of VAMPIRE, you sometimes need the unit-cell-category:

https://groups.google.com/g/vampire-users/c/QGFtYVB6Kd8/m/aJLRijgZBQAJ

It looks like the files you posted only give atoms for Material 1:

username@computername:~/Desktop/CoO$ grep unit-cell-category CoO.mat
username@computername:~/Desktop/CoO$ ~/vampire-develop/vampire-serial
...
username@computername:~/Desktop/CoO$ grep Material log
06-07-2024 [06:48:14] Material 1 Coup makes up 100 % of all atoms ( 288 atoms )
06-07-2024 [06:48:14] Material 2 Codn makes up 0 % of all atoms ( 0 atoms )

Add the unit-cell-category:

username@computername:~/Desktop/CoO$ gedit CoO.mat
username@computername:~/Desktop/CoO$ grep unit-cell-category CoO.mat
material[1]:unit-cell-category=1
material[2]:unit-cell-category=2

Also, it seems like your Material 2 atoms are missing since your system-size-z is so small:

username@computername:~/Desktop/CoO$ grep system-size-z input
dimensions:system-size-z = 0.1 !nm

I increased it just to see what would happen:

username@computername:~/Desktop/CoO$ gedit input
username@computername:~/Desktop/CoO$ grep system-size-z input
dimensions:system-size-z = 1 !nm

Then, it is showing atoms for both Material 1 and Material 2:

username@computername:~/Desktop/CoO$ ~/vampire-develop/vampire-serial
...
Simulation ended gracefully.
username@computername:~/Desktop/CoO$ grep Material log
06-07-2024 [06:52:00] Material 1 Coup makes up 60 % of all atoms ( 864 atoms )
06-07-2024 [06:52:00] Material 2 Codn makes up 40 % of all atoms ( 576 atoms )

Kind Regards,

Gavin

VAMPIRE user