choice of 'rcut' value

[Hamza BFA]

Dear TB2J users,

I got the results of Jij using TB2J but noticed that the Néel temperature becomes zero (a value close to zero) for rcut > 16, for lower values, it varies from 9 to 20.
on what criterion is the choice of 'rcut' based?

Thank you in advance

[Xu He]

Hello, 

The rcut should be chosen so that only exchange parameters close to 0 are truncated. In that case, the Neel temperature should not be affected. So the rcut should be larger than 16 in your case.  Perhaps you need to check without the rcut option to see if 16 is big enough. 

Best regards, 

HeXu

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[Hamza BFA]

Dear Prof. He Xu,

Thank you very much.