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I am not sure if this is a bug or not. But, I have noticed some Hall symbols in spg_database.c
differ from the list of Hall symbols in International Tables for Crystallography Vol. B (ITB).
In spglib
, the so-called "V entry" in Hall symbols is not consistent with ITB: For example, in Table A1.4.2.7 of ITB, No. 151 is represented as P 31 2 (0 0 4)
. On the other hand, spg_database.c
represents it as P 31 2c (0 0 1)
.
Line 480 in 188e6a5
{151, "D3^3 ", "P 31 2c (0 0 1) ", "P 3_1 1 2 ", "P 3_1 1 2 ", "P3_112 ", " ", PRIMITIVE, 18 }, /* 440 */ |
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