OpenWrite::noopen: Cannot open /stmp/mathematica/tmp_222605.txt. Content-type: text/html MGROUPS
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The magnetic space groups derived from the Fedorov space group: 001 > 001 (id = 11905)HHHHRead tr. matrix for the supergroup from /tmp/wp-supertrm11905.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-subtrm11905.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-trm11905.trnHHHH1.000000 0.000000 0.000000 0.000000 HHHH0.000000 3.000000 2.000000 0.000000 HHHH0.000000 0.000000 1.000000 0.000000 HHHHTransformation matrix:HHHH1.000000 0.000000 0.000000 0.000000 HHHH0.000000 3.000000 2.000000 0.000000 HHHH0.000000 0.000000 1.000000 0.000000 HHHHdeterminant: 3.000000(det-ONE=2.000000)HHHHInverted of the transformation matrix:HHHH1.000000 0.000000 0.000000 0.000000 HHHH0.000000 0.333333 -0.666667 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:(x, 3.000000y, 2.000000y +z)HHHHdet = 3.000000HHHHSupergroup is transformed to unconventional setting.HHHHtake memory for 9 cells.HHHHtr. matrix:(x, 3.000000y, 2.000000y +z)HHHHNumber of gen. pos. = 1, det = 3.000000. New number of general positions: 3HHHHchange the basis with the matrix (x, 3.000000y, 2.000000y +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(x, 0.333333 +y,z)HHHH(x, 0.666667 +y,z)HHHH000HHHHSupergroup is transformed (3 gen.pos.)->return the new group.HHHH(x,y,z)HHHH(x, 0.333333 +y,z)HHHH(x, 0.666667 +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(x, 0.333333 +y,z)HHHH(x, 0.666667 +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(x, 0.333333y, -0.666667y +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(x, 0.333333 (y - 2.000000z),z)TTTT1aTTTT(x,y,z)HHHHOrbit 1:HHHH[0]TTTT(x, 1.000000 +y,z)TTTT(x, 0.333333 (1.000000 +y - 2.000000z),z)TTTT1aTTTT(x,y,z)HHHHOrbit 2:HHHH[0]TTTT(x, 2.000000 +y,z)TTTT(x, 0.333333 (2.000000 +y - 2.000000z),z)TTTT1aTTTT(x,y,z)HHHHGGGG&{{1, a}}${{{1, a}, {1, a}, {1, a}}}${{{{x, y, z}}, {{x, 1 + y, z}}, {{x, 2 + y, z}}}}${{{{x, (y - 2*z)/3, z}}, {{x, (1 + y - 2*z)/3, z}}, {{x, (2 + y - 2*z)/3, z}}}}${{{{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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