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Atsushi Togo 2024-11-12 22:28:11 +09:00
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doc/cutoff-pair.md
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# Force constants calculation with cutoff pair-distance
```{note}
Since usage of this calculation is complicated. It is recommended to try
{ref}`random-displacements` with `--fc-calc-opt "cutoff = VAL"` before trying
this option.
To reduce the computational demands of force constants or lattice thermal
conductivity calculations, it is recommended to try {ref}`pypolymlp-interface`
instead of using the `--cutoff-pair` option.
```
Here the detail of the command option {ref}`--cutoff-pair <cutoff_pair_option>`