non-collinear with siesta

[Rick Anteur]

I did a non-collinear spin calculation with Siesta. The scf calculation has converged (see siesta.log) but for each execution, I receive a message: 'Killed' (see error.png). Only Mn.3 are magnetics (see siesta.fdf).

[Xu He]

That is usually because there is not enough memory. Perhaps you can allocate more memory for the virtual machine (seems you're using quantum mobile), or do the calculation in a "real" machine with more memory.

Best wishes,

HeXu

On 12/23/21 17:09, Rick Anteur wrote:

I did a non-collinear spin calculation with Siesta. The scf calculation has converged (see siesta.log) but for each execution, I receive a message: 'Killed' (see error.png). Only Mn.3 are magnetics (see siesta.fdf).

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