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The threshold for the hp.x calculation for reconstructing the 3x3x3 real space interactions should be tighter. This can be controlled by the dist_thr in the HP input file. Instead of 6e-4, we should use a more "standard" thr of 1e-5 (e.g. as spglib is using).
The text was updated successfully, but these errors were encountered:
The threshold for the
hp.x
calculation for reconstructing the 3x3x3 real space interactions should be tighter. This can be controlled by thedist_thr
in the HP input file. Instead of 6e-4, we should use a more "standard" thr of 1e-5 (e.g. as spglib is using).The text was updated successfully, but these errors were encountered: