I'm doing a non-collinear with constrained moment calculation. But the all the relative penalty/constrained terms in OSZICAR are 0. May I ask what is the problem here?
I've attached the input and output below.
zero penalty energy for constrained moment calculation
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yujia_teng
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zero penalty energy for constrained moment calculation
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pedro_melo
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Re: zero penalty energy for constrained moment calculation
Dear yujia_teng,
From the OUTCAR I can see that you did not set RWIGS (see here wiki/index.php/RWIGS). So the penalty is zero because the integration spheres are not set.
Kind regards,
Pedro
From the OUTCAR I can see that you did not set RWIGS (see here wiki/index.php/RWIGS). So the penalty is zero because the integration spheres are not set.
Kind regards,
Pedro