NiO Neel Temperature

[Andres Tellez Mora]

Dear Vampire Users.

I am trying to calculate the Neel temperature of FCC NiO. I started using the antiferromagnetic cell described in https://www.vasp.at/wiki/index.php/NiO. I calculated the isotropic exchange constants by using the TB2J package which gave me values that agree with those reported from an experiment. However, when I try to run Vampire, the antiferromagnetic order is lost for temperatures greater than zero. There may be something wrong with my input files. I have attached all relevant files from the calculation. I would appreciate any help you can give me.

Regards,

Andres Tellez.

[Muftah Al-Mahdawi]

Hi,
In recent versions of Vampire, you need to supply these setting to the material file.
material[1]:unit-cell-category = 1
material[2]:unit-cell-category = 2
Please see the explanation here:
https://github.com/richard-evans/vampire/issues/89
Best,
Muftah

--
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/63ed2f0c-21db-42f6-ac8c-31a15a3bce8bn%40googlegroups.com.