Comments (3)
greschd
commented on June 8, 2024
That should be a pretty simple fix. Just out of curiosity, did you have cases where such a small change in lattice constants really makes a difference? I mean, a change in the sixth decimal place (if the constant is on the order of 1) corresponds to about 0.0001% of strain, which seems incredibly low.
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abelcarreras
commented on June 8, 2024
For phonon calculations you really need a very well converged structure. The calculation of the atomic forces has to be very accurate because this can make quite a difference in the force constants calculation. As you say this should be easy to fix so I think it's worth it.
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greschd
commented on June 8, 2024
Sure, no real reason not to increase the precision.
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