From 9d3dcfaab3f6262d8d8a4ec37ad6124e5bb64d00 Mon Sep 17 00:00:00 2001 From: nautolycus <98825550+nautolycus@users.noreply.github.com> Date: Thu, 14 Mar 2024 12:03:41 +0000 Subject: [PATCH 1/3] Update cif_mag.dic Replace other instances of U+2019 RIGHT SINGLE QUOTATION MARK with ASCII ' in this file Co-authored-by: Antanas Vaitkus --- cif_mag.dic | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/cif_mag.dic b/cif_mag.dic index be28864..d23daff 100644 --- a/cif_mag.dic +++ b/cif_mag.dic @@ -3379,7 +3379,7 @@ save_space_group_magn.ssg_number separated by periods: (1-4) the four parts of the superspace group (SSG) number of its family superspace group (FSSG) or maximal superspace subgroup (XSSG), - (5) the letter 'm’ followed by the second part of the BNS number + (5) the letter 'm' followed by the second part of the BNS number of its basic magnetic space group (BMSG), and (6) an integer that enumerates the MSSGs derived from the same combination of BMSG and FSSG/XSSG. From 320fb1c82a22cc304e98ead5427a6fe44bf6d55c Mon Sep 17 00:00:00 2001 From: nautolycus <98825550+nautolycus@users.noreply.github.com> Date: Thu, 14 Mar 2024 12:07:39 +0000 Subject: [PATCH 2/3] Update cif_mag.dic Agree to improved layout Co-authored-by: Antanas Vaitkus --- cif_mag.dic | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/cif_mag.dic b/cif_mag.dic index d23daff..7cb47a3 100644 --- a/cif_mag.dic +++ b/cif_mag.dic @@ -1715,8 +1715,11 @@ save_atom_site_moment_special_func.sawtooth_ax magnetic sawtooth function is only used when working in the crystal-axis coordinate system. It is defined along the internal space direction as follows: - mx=2*ax[(x4-c)/w] my=2*ay[(x4-c)/w] + + mx=2*ax[(x4-c)/w] + my=2*ay[(x4-c)/w] mz=2*az[(x4-c)/w] + with x4 belonging to the interval [c-(w/2), c+(w/2)], where ax, ay and az are the amplitudes (maximum magnetic moments) along each crystallographic axis, w is its width, x4 is the From 9f1a864666b15e93595c9af3e6b9f42c5b1b05ae Mon Sep 17 00:00:00 2001 From: nautolycus <98825550+nautolycus@users.noreply.github.com> Date: Thu, 14 Mar 2024 12:08:29 +0000 Subject: [PATCH 3/3] Update cif_mag.dic Co-authored-by: Antanas Vaitkus --- cif_mag.dic | 1 + 1 file changed, 1 insertion(+) diff --git a/cif_mag.dic b/cif_mag.dic index 7cb47a3..1cc977c 100644 --- a/cif_mag.dic +++ b/cif_mag.dic @@ -1727,6 +1727,7 @@ save_atom_site_moment_special_func.sawtooth_ax internal space. The use of this function is restricted to one-dimensional modulated structures. For more details, see the manual for JANA2000 (Petricek & Dusek, 2000). + Calculated parameters mx, my and mz must be in Bohr-magneton units and can vary in the range (-infinity,infinity).