OpenWrite::noopen: Cannot open /stmp/mathematica/tmp_631047.txt. Content-type: text/html MGROUPS
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The magnetic space groups derived from the Fedorov space group: 001 > 001 (id = 27048)HHHHRead tr. matrix for the supergroup from /tmp/wp-supertrm27048.trnHHHH1.000000 0.000000 0.000000 0.000000 HHHH0.000000 1.000000 0.000000 0.000000 HHHH0.000000 0.000000 1.000000 0.000000 HHHHinverted:HHHH1.000000 0.000000 0.000000 0.000000 HHHH0.000000 1.000000 0.000000 0.000000 HHHH0.000000 0.000000 1.000000 0.000000 HHHHRead tr. matrix for the subgroup from /tmp/wp-subtrm27048.trnHHHH1.000000 0.000000 0.000000 0.000000 HHHH0.000000 1.000000 0.000000 0.000000 HHHH0.000000 0.000000 1.000000 0.000000 HHHHinverted:HHHH1.000000 0.000000 0.000000 0.000000 HHHH0.000000 1.000000 0.000000 0.000000 HHHH0.000000 0.000000 1.000000 0.000000 HHHHRead tr. matrix from /tmp/wp-trm27048.trnHHHH3.000000 0.000000 2.000000 0.000000 HHHH0.000000 1.000000 0.000000 0.000000 HHHH0.000000 0.000000 1.000000 0.000000 HHHHTransformation matrix:HHHH3.000000 0.000000 2.000000 0.000000 HHHH0.000000 1.000000 0.000000 0.000000 HHHH0.000000 0.000000 1.000000 0.000000 HHHHdeterminant: 3.000000(det-ONE=2.000000)HHHHInverted of the transformation matrix:HHHH0.333333 0.000000 -0.666667 0.000000 HHHH0.000000 1.000000 0.000000 0.000000 HHHH0.000000 0.000000 1.000000 0.000000 HHHHSubgroup generators: 1, general positions: 1HHHH(x,y,z)HHHHSubgroup Wyckoff positions:HHHHList of Wyckoff positions:HHHHOrbit No:0HHHHMultiplicity:1HHHHLetter:aHHHH(x,y,z)HHHHtr. matrix:(3.000000x,y, 2.000000x +z)HHHHdet = 3.000000HHHHSupergroup is transformed to unconventional setting.HHHHtake memory for 9 cells.HHHHtr. matrix:(3.000000x,y, 2.000000x +z)HHHHNumber of gen. pos. = 1, det = 3.000000. New number of general positions: 3HHHHchange the basis with the matrix (3.000000x,y, 2.000000x +z)HHHHAfter checking group we obtain 3 elementsHHHH000HHHHBefore expanding:HHHH(x,y,z)HHHHAfter expanding general positions: number of cells: 1HHHHNumber of gen. pos. = 0, det = 3.000000. New number of general positions: 0HHHH(x,y,z)HHHH(0.333333 +x,y,z)HHHH(0.666667 +x,y,z)HHHH000HHHHSupergroup is transformed (3 gen.pos.)->return the new group.HHHH(x,y,z)HHHH(0.333333 +x,y,z)HHHH(0.666667 +x,y,z)HHHHSupergroup is transformed to the subgroup basis. there are 3 general positionsHHHHSupergroup generators: xxx, general positions:3HHHHSubgroup basis:HHHH(x,y,z)HHHH(0.333333 +x,y,z)HHHH(0.666667 +x,y,z)HHHHnumber of cells: 1HHHH000HHHHSupergroup Wyckoff positions:HHHHOwn basis.HHHHList of Wyckoff positions:HHHHOrbit No:0HHHHMultiplicity:1HHHHLetter:aHHHH(x,y,z)HHHHSubgroup basis.HHHHList of Wyckoff positions:HHHHOrbit No:0HHHHMultiplicity:1HHHHLetter:aHHHH(0.333333x,y, -0.666667x +z)HHHHindex : 3HHHHSplitting of the general position of the supergroup...HHHHThe general position splits into 3 suborbits.HHHH&Splitting of all positions:HHHHGGGG1a: 1a 1a 1aHHHH&Splitting of Wyckoff position 1a: 1a 1a 1aHHHHOrbit 0:HHHH[0]TTTT(x,y,z)TTTT(0.333333 (x - 2.000000z),y,z)TTTT1aTTTT(x,y,z)HHHHOrbit 1:HHHH[0]TTTT(1.000000 +x,y,z)TTTT(0.333333 (1.000000 +x - 2.000000z),y,z)TTTT1aTTTT(x,y,z)HHHHOrbit 2:HHHH[0]TTTT(2.000000 +x,y,z)TTTT(0.333333 (2.000000 +x - 2.000000z),y,z)TTTT1aTTTT(x,y,z)HHHHGGGG&{{1, a}}${{{1, a}, {1, a}, {1, a}}}${{{{x, y, z}}, {{1 + x, y, z}}, {{2 + x, y, z}}}}${{{{(x - 2*z)/3, y, z}}, {{(1 + x - 2*z)/3, y, z}}, {{(2 + x - 2*z)/3, y, z}}}}${{{{x, y, z}}, {{x, y, z}}, {{x, y, z}}}}&OK! (#)

Listed with respect to the BNS setting:


Listed with respect to the OG setting:



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