! ! Copyright (C) 2014 Federico Zadra ! This file is distributed under the terms of the ! GNU General Public License. See the file `License' ! in the root directory of the present distribution, ! or http://www.gnu.org/copyleft/gpl.txt . ! MODULE space_group USE kinds, ONLY: DP IMPLICIT NONE SAVE PRIVATE PUBLIC sym_brav, find_equivalent_tau CONTAINS SUBROUTINE sym_brav(space_group_number,sym_n,ibrav) ! Sym_brav -> ! input spacegroup number ! output sym_n = symmetries number ! ibrav = Bravais lattice number INTEGER, INTENT(IN) :: space_group_number INTEGER, INTENT(OUT) :: sym_n,ibrav simmetria: SELECT CASE (space_group_number) !Triclinic 1-2 CASE (1) sym_n=1 ibrav=14 CASE (2) sym_n=2 ibrav=14 !Monoclinic 3-15 CASE (3) !P2 sym_n=2 ibrav=12 CASE (4) !P2(1) sym_n=2 ibrav=12 CASE (5) !C2 sym_n=2 ibrav=13 CASE (6) !PM sym_n=2 ibrav=12 CASE (7) !Pc sym_n=2 ibrav=12 CASE (8) !Cm sym_n=2 ibrav=13 CASE (9) !Cc sym_n=2 ibrav=13 CASE (10) !P2/m sym_n=4 ibrav=12 CASE (11) !P2(1)/m sym_n=4 ibrav=12 CASE (12) !C2/m sym_n=4 ibrav=13 CASE (13) !P2/c sym_n=4 ibrav=12 CASE (14) !P2(1)/c sym_n=4 ibrav=12 CASE (15) !C2/c sym_n=4 ibrav=13 !Orthorhombic CASE (16) !P222 sym_n=4 ibrav=8 CASE (17) !P222(1) sym_n=4 ibrav=8 CASE (18) !P2(1)2(1)2 sym_n=4 ibrav=8 CASE (19) !P2(1)2(1)2(1) sym_n=4 ibrav=8 CASE (20) !C222(1) sym_n=4 ibrav=9 CASE (21) !C222 sym_n=4 ibrav=9 CASE (22) !F222 sym_n=4 ibrav=10 CASE (23) !I222 sym_n=4 ibrav=11 CASE (24) !I2(1)2(1)2(1) sym_n=4 ibrav=11 CASE (25) !Pmm2 sym_n=4 ibrav=8 CASE (26) !Pmc2(1) sym_n=4 ibrav=8 CASE (27) !Pcc2 sym_n=4 ibrav=8 CASE (28) !Pma2 sym_n=4 ibrav=8 CASE (29) !Pca2(1) sym_n=4 ibrav=8 CASE (30) !Pnc2 sym_n=4 ibrav=8 CASE (31) !Pmn2(1) sym_n=4 ibrav=8 CASE (32) !Pba2 sym_n=4 ibrav=8 CASE (33) !Pna2(1) sym_n=4 ibrav=8 CASE (34) !Pnn2 sym_n=4 ibrav=8 CASE (35) !Cmm2 sym_n=4 ibrav=9 CASE (36) !Cmc2(1) sym_n=4 ibrav=9 CASE (37) !Ccc2 sym_n=4 ibrav=9 CASE (38) !Amm2 sym_n=4 ibrav=91 CASE (39) !Abm2 sym_n=4 ibrav=91 CASE (40) !Ama2 sym_n=4 ibrav=91 CASE (41) !Aba2 sym_n=4 ibrav=91 CASE (42) !Fmm2 sym_n=4 ibrav=10 CASE (43) !Fdd2 sym_n=4 ibrav=10 CASE (44) !Imm2 sym_n=4 ibrav=11 CASE (45) !Iba2 sym_n=4 ibrav=11 CASE (46) !Ima2 sym_n=4 ibrav=11 CASE (47) !Pmmm sym_n=8 ibrav=8 CASE (48) !Pnnn sym_n=8 ibrav=8 CASE (49) !Pccm sym_n=8 ibrav=8 CASE (50) !Pban sym_n=8 ibrav=8 CASE (51) !Pmma sym_n=8 ibrav=8 CASE (52) !Pnna sym_n=8 ibrav=8 CASE (53) !Pmna sym_n=8 ibrav=8 CASE (54) !Pcca sym_n=8 ibrav=8 CASE (55) !Pbam sym_n=8 ibrav=8 CASE (56) !Pccn sym_n=8 ibrav=8 CASE (57) !Pbcm sym_n=8 ibrav=8 CASE (58) !Pnnm sym_n=8 ibrav=8 CASE (59) !Pmmn sym_n=8 ibrav=8 CASE (60) !Pbcn sym_n=8 ibrav=8 CASE (61) !Pbca sym_n=8 ibrav=8 CASE (62) !Pnma sym_n=8 ibrav=8 CASE (63) !Cmcm sym_n=8 ibrav=9 CASE (64) !Cmca sym_n=8 ibrav=9 CASE (65) !Cmmm sym_n=8 ibrav=9 CASE (66) !Cccm sym_n=8 ibrav=9 CASE (67) !Cmma sym_n=8 ibrav=9 CASE (68) !Ccca sym_n=8 ibrav=9 CASE (69) !Fmmm sym_n=8 ibrav=10 CASE (70) !Fddd sym_n=8 ibrav=10 CASE (71) !Immm sym_n=8 ibrav=11 CASE (72) !Ibam sym_n=8 ibrav=11 CASE (73) !Ibca sym_n=8 ibrav=11 CASE (74) !Imma sym_n=8 ibrav=11 !Tetragonal CASE (75) !P4 sym_n=4 ibrav=6 CASE (76) !P4(1) sym_n=4 ibrav=6 CASE (77) !P4(2) sym_n=4 ibrav=6 CASE (78) !P4(3) sym_n=4 ibrav=6 CASE (79) !I4 sym_n=4 ibrav=7 CASE (80) !I4(1) sym_n=4 ibrav=7 CASE (81) !P-4 sym_n=4 ibrav=6 CASE (82) !I-4 sym_n=4 ibrav=7 CASE (83) !P4/m sym_n=8 ibrav=6 CASE (84) !P4(2)/m sym_n=8 ibrav=6 CASE (85) !P4/n sym_n=8 ibrav=6 CASE (86) !P4(2)/n sym_n=8 ibrav=6 CASE (87) !I4/m sym_n=8 ibrav=7 CASE (88) !I4(1)/a sym_n=8 ibrav=7 CASE (89) !P422 sym_n=8 ibrav=6 CASE (90) !P42(1)2 sym_n=8 ibrav=6 CASE (91) !P4(1)22 sym_n=8 ibrav=6 CASE (92) !P4(1)2(1)2 sym_n=8 ibrav=6 CASE (93) !P4(2)22 sym_n=8 ibrav=6 CASE (94) !P4(2)2(1)2 sym_n=8 ibrav=6 CASE (95) !P4(3)22 sym_n=8 ibrav=6 CASE (96) !P4(3)2(1)2 sym_n=8 ibrav=6 CASE (97) !I422 sym_n=8 ibrav=7 CASE (98) !I4(1)22 sym_n=8 ibrav=7 CASE (99) !P4mm sym_n=8 ibrav=6 CASE (100) !P4bm sym_n=8 ibrav=6 CASE (101) !P4(2)cm sym_n=8 ibrav=6 CASE (102) !P4(2)nm sym_n=8 ibrav=6 CASE (103) !P4cc sym_n=8 ibrav=6 CASE (104) !P4nc sym_n=8 ibrav=6 CASE (105) !P4(2)mc sym_n=8 ibrav=6 CASE (106) !P4(2)bc sym_n=8 ibrav=6 CASE (107) !I4mm sym_n=8 ibrav=7 CASE (108) !I4cm sym_n=8 ibrav=7 CASE (109) !I4(!)md sym_n=8 ibrav=7 CASE (110) !I4(1)cd sym_n=8 ibrav=7 CASE (111) !P-42m sym_n=8 ibrav=6 CASE (112) !P-42c sym_n=8 ibrav=6 CASE (113) !P-42(1)m sym_n=8 ibrav=6 CASE (114) !P-42(1)c sym_n=8 ibrav=6 CASE (115) !P-4m2 sym_n=8 ibrav=6 CASE (116) !P-4c2 sym_n=8 ibrav=6 CASE (117) !P-4b2 sym_n=8 ibrav=6 CASE (118) !P-4n2 sym_n=8 ibrav=6 CASE (119) !I-4m2 sym_n=8 ibrav=7 CASE (120) !I-4c2 sym_n=8 ibrav=7 CASE (121) !I-42m sym_n=8 ibrav=7 CASE (122) !I-42d sym_n=8 ibrav=7 CASE (123) !P4/mmm sym_n=16 ibrav=6 CASE (124) !P4/mcc sym_n=16 ibrav=6 CASE (125) !P4/nbm sym_n=16 ibrav=6 CASE (126) !P4/nnc sym_n=16 ibrav=6 CASE (127) !P4/mbm sym_n=16 ibrav=6 CASE (128) !P4/mnc sym_n=16 ibrav=6 CASE (129) !P4/nmm sym_n=16 ibrav=6 CASE (130) !P4/ncc sym_n=16 ibrav=6 CASE (131) !P4(2)/mmc sym_n=16 ibrav=6 CASE (132) !P4(2)/mcm sym_n=16 ibrav=6 CASE (133) !P4(2)nbc sym_n=16 ibrav=6 CASE (134) !P4(2)/nnm sym_n=16 ibrav=6 CASE (135) !P4(2)/mbc sym_n=16 ibrav=6 CASE (136) !P4(2)/mnm sym_n=16 ibrav=6 CASE (137) !P4(2)/nmc sym_n=16 ibrav=6 CASE (138) !P4(2)/ncm sym_n=16 ibrav=6 CASE (139) !I4/mmm sym_n=16 ibrav=7 CASE (140) !I4/mcm sym_n=16 ibrav=7 CASE (141) !I4(1)/amd sym_n=16 ibrav=7 CASE (142) !I4(1)/acd sym_n=16 ibrav=7 ! Trigonal CASE (143) !P3 sym_n=3 ibrav=4 CASE (144) sym_n=3 ibrav=4 CASE (145) sym_n=3 ibrav=4 CASE (146) !R3 sym_n=3 ibrav=5 CASE (147) sym_n=6 ibrav=4 CASE (148) !R-3 sym_n=6 ibrav=5 CASE (149) sym_n=6 ibrav=4 CASE (150) sym_n=6 ibrav=4 CASE (151) sym_n=6 ibrav=4 CASE (152) sym_n=6 ibrav=4 CASE (153) sym_n=6 ibrav=4 CASE (154) sym_n=6 ibrav=4 CASE (155) !R32 sym_n=6 ibrav=5 CASE (156) sym_n=6 ibrav=4 CASE (157) sym_n=6 ibrav=4 CASE (158) sym_n=6 ibrav=4 CASE (159) sym_n=6 ibrav=4 CASE (160) !R3m sym_n=6 ibrav=5 CASE (161) !R3c sym_n=6 ibrav=5 CASE (162) sym_n=12 ibrav=4 CASE (163) sym_n=12 ibrav=4 CASE (164) sym_n=12 ibrav=4 CASE (165) sym_n=12 ibrav=4 CASE (166) !R-3m sym_n=12 ibrav=5 CASE (167) !R-3c sym_n=12 ibrav=5 ! Exagonal CASE (168) sym_n=6 ibrav=4 CASE (169) sym_n=6 ibrav=4 CASE (170) sym_n=6 ibrav=4 CASE (171) sym_n=6 ibrav=4 CASE (172) sym_n=6 ibrav=4 CASE (173) sym_n=6 ibrav=4 CASE (174) sym_n=6 ibrav=4 CASE (175) sym_n=12 ibrav=4 CASE (176) sym_n=12 ibrav=4 CASE (177) sym_n=12 ibrav=4 CASE (178) sym_n=12 ibrav=4 CASE (179) sym_n=12 ibrav=4 CASE (180) sym_n=12 ibrav=4 CASE (181) sym_n=12 ibrav=4 CASE (182) sym_n=12 ibrav=4 CASE (183) sym_n=12 ibrav=4 CASE (184) sym_n=12 ibrav=4 CASE (185) sym_n=12 ibrav=4 CASE (186) sym_n=12 ibrav=4 CASE (187) sym_n=12 ibrav=4 CASE (188) sym_n=12 ibrav=4 CASE (189) sym_n=12 ibrav=4 CASE (190) sym_n=12 ibrav=4 CASE (191) sym_n=24 ibrav=4 CASE (192) sym_n=24 ibrav=4 CASE (193) sym_n=24 ibrav=4 CASE (194) sym_n=24 ibrav=4 !Cubic CASE (195) sym_n=12 ibrav=1 CASE (196) sym_n=12 ibrav=2 CASE (197) sym_n=12 ibrav=3 CASE (198) sym_n=12 ibrav=1 CASE (199) sym_n=12 ibrav=3 CASE (200) sym_n=24 ibrav=1 CASE (201) sym_n=24 ibrav=1 CASE (202) sym_n=24 ibrav=2 CASE (203) sym_n=24 ibrav=2 CASE (204) sym_n=24 ibrav=3 CASE (205) sym_n=24 ibrav=1 CASE (206) sym_n=24 ibrav=3 CASE (207) sym_n=24 ibrav=1 CASE (208) sym_n=24 ibrav=1 CASE (209) sym_n=24 ibrav=2 CASE (210) sym_n=24 ibrav=2 CASE (211) sym_n=24 ibrav=3 CASE (212) sym_n=24 ibrav=1 CASE (213) sym_n=24 ibrav=1 CASE (214) sym_n=24 ibrav=3 CASE (215) sym_n=24 ibrav=1 CASE (216) sym_n=24 ibrav=2 CASE (217) sym_n=24 ibrav=3 CASE (218) sym_n=24 ibrav=1 CASE (219) sym_n=24 ibrav=2 CASE (220) sym_n=24 ibrav=3 CASE (221) sym_n=48 ibrav=1 CASE (222) sym_n=48 ibrav=1 CASE (223) sym_n=48 ibrav=1 CASE (224) sym_n=48 ibrav=1 CASE (225) sym_n=48 ibrav=2 CASE (226) sym_n=48 ibrav=2 CASE (227) sym_n=48 ibrav=2 CASE (228) sym_n=48 ibrav=2 CASE (229) sym_n=48 ibrav=3 CASE (230) sym_n=48 ibrav=3 END SELECT simmetria RETURN END SUBROUTINE sym_brav SUBROUTINE find_equivalent_tau(space_group_number,inco,outco,i,unique) !sel_grup -> input space_group_number ! inco coordinate ! i element index ! output outco coordinates INTEGER, INTENT(IN) :: space_group_number,i REAL(DP),dimension(:,:), INTENT(IN) :: inco REAL(DP),dimension(:,:,:), INTENT(OUT) :: outco character(LEN=1), INTENT(IN) :: unique REAL(DP), PARAMETER :: unterz=(1.0_DP)/(3.0_DP) REAL(DP), PARAMETER :: duterz=(2.0_DP)/(3.0_DP) REAL(DP), PARAMETER :: unsest=(1.0_DP)/(6.0_DP) REAL(DP), PARAMETER :: cisest=(5.0_DP)/(6.0_DP) INTEGER :: k,j simmetria: SELECT CASE (space_group_number) !***************************************** !Triclinic 1-2 CASE (1) DO k=1,3 outco(k,1,i)=inco(k,i) END DO CASE (2) DO k=1,3 outco(k,1,i)=inco(k,i) outco(k,2,i)=-inco(k,i) END DO !***************************************** !Monoclinic 3-15 CASE (3) !x,y,z !-x,y,-z DO k=1,3 outco(k,1,i)=inco(k,i) END DO IF (unique=='2') THEN outco(1,2,i)=-inco(1,i) outco(2,2,i)=inco(2,i) outco(3,2,i)=-inco(3,i) END IF IF (unique=='1') THEN outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) END IF CASE (4) !x,y,z !-X,Y+1/2,-Z DO k=1,3 outco(k,1,i)=inco(k,i) END DO IF (unique=='2') THEN outco(1,2,i)=-inco(1,i) outco(2,2,i)=inco(2,i)+0.5_DP outco(3,2,i)=-inco(3,i) END IF IF (unique=='1') THEN outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i)+0.5_DP END IF CASE (5) !X,Y,Z identita !-X,Y,-Z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 IF (unique=='2') THEN outco(1,2,i)=-inco(1,i) outco(2,2,i)=inco(2,i) outco(3,2,i)=-inco(3,i) END IF IF (unique=='1') THEN outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) END IF CASE (6) !ID !x,-y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO IF (unique=='2') THEN outco(1,2,i)=inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) END IF IF (unique=='1') THEN outco(1,2,i)=inco(1,i) outco(2,2,i)=inco(2,i) outco(3,2,i)=-inco(3,i) END IF CASE (7) !ID !x,-y,1/2+z DO k=1,3 outco(k,1,i)=inco(k,i) END DO IF (unique=='2') THEN outco(1,2,i)=inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=0.5_DP+inco(3,i) END IF IF (unique=='1') THEN outco(1,2,i)=inco(1,i) outco(2,2,i)=0.5_DP+inco(2,i) outco(3,2,i)=-inco(3,i) END IF CASE (8) !symmetry= X,Y,Z !symmetry= X,-Y,Z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 IF (unique=='2') THEN outco(1,2,i)=inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) END IF IF (unique=='1') THEN outco(1,2,i)=inco(1,i) outco(2,2,i)=inco(2,i) outco(3,2,i)=-inco(3,i) END IF CASE (9) !symmetry= X,Y,Z !symmetry= X,-Y,1/2+Z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 IF (unique=='2') THEN outco(1,2,i)=inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i)+0.5_DP END IF IF (unique=='1') THEN outco(1,2,i)=inco(1,i) outco(2,2,i)=inco(2,i)+0.5_DP outco(3,2,i)=-inco(3,i) END IF CASE (10) !symmetry= X,Y,Z !symmetry= X,-Y,Z !symmetry= -X,Y,-Z !symmetry= -X,-Y,-Z DO k=1,3 outco(k,1,i)=inco(k,i) END DO IF (unique=='2') THEN !S=2 outco(1,2,i)=inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) END IF IF (unique=='1') THEN !S=2 outco(1,2,i)=inco(1,i) outco(2,2,i)=inco(2,i) outco(3,2,i)=-inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=-inco(2,i) outco(3,3,i)=inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) END IF CASE (11) !symmetry= X,Y,Z !symmetry= -X,1/2+Y,-Z !symmetry= -X,-Y,-Z !symmetry= X,1/2-Y,Z DO k=1,3 outco(k,1,i)=inco(k,i) END DO IF (unique=='2') THEN !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=0.5_DP+inco(2,i) outco(3,2,i)=-inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=-inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=0.5_DP-inco(2,i) outco(3,4,i)=inco(3,i) END IF IF (unique=='1') THEN !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=0.5_DP+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=-inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=inco(2,i) outco(3,4,i)=0.5_DP-inco(3,i) END IF CASE (12) !symmetry= X,Y,Z !symmetry= X,-Y,Z !symmetry= -X,Y,-Z !symmetry= -X,-Y,-Z DO k=1,3 outco(k,1,i)=inco(k,i) END DO IF (unique=='2') THEN !S=2 outco(1,2,i)=inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) END IF IF (unique=='1') THEN outco(1,2,i)=inco(1,i) outco(2,2,i)=inco(2,i) outco(3,2,i)=-inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=-inco(2,i) outco(3,3,i)=inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) END IF CASE (13) !symmetry= X,Y,Z !symmetry= -X,Y,1/2-Z !symmetry= -X,-Y,-Z !symmetry= X,-Y,1/2+Z DO k=1,3 outco(k,1,i)=inco(k,i) END DO IF (unique=='2') THEN !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=inco(2,i) outco(3,2,i)=0.5_DP-inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=-inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=0.5_DP+inco(3,i) END IF IF (unique=='1') THEN !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=0.5_DP-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=-inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=0.5_DP+inco(2,i) outco(3,4,i)=-inco(3,i) END IF CASE (14) !symmetry= X,Y,Z !symmetry= -X,-Y,-Z !symmetry= -X,1/2+Y,1/2-Z !symmetry= X,1/2-Y,1/2+Z DO k=1,3 outco(k,1,i)=inco(k,i) END DO IF (unique=='2') THEN !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=-inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=0.5_DP+inco(2,i) outco(3,3,i)=0.5_DP-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=0.5_DP-inco(2,i) outco(3,4,i)=0.5_DP+inco(3,i) END IF IF (unique=='1') THEN !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=-inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=0.5_DP-inco(2,i) outco(3,3,i)=0.5_DP+inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=0.5_DP+inco(2,i) outco(3,4,i)=0.5_DP-inco(3,i) END IF CASE (15) !symmetry= X,Y,Z !symmetry= -X,Y,1/2-Z !symmetry= -X,-Y,-Z !symmetry= X,-Y,1/2+Z DO k=1,3 outco(k,1,i)=inco(k,i) END DO IF (unique=='2') THEN !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=inco(2,i) outco(3,2,i)=0.5_DP-inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=-inco(2,i) outco(3,3,i)=-inco(3,i) !S=3 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=0.5_DP+inco(3,i) END IF IF (unique=='1') THEN !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=0.5_DP-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=-inco(2,i) outco(3,3,i)=-inco(3,i) !S=3 outco(1,4,i)=inco(1,i) outco(2,4,i)=0.5_DP+inco(2,i) outco(3,4,i)=-inco(3,i) END IF !***************************************** !Orthorhombic 16-74 CASE (16) !P222 !symmetry= X,Y,Z !symmetry= -X,-Y,Z !symmetry= -X,Y,-Z !symmetry= X,-Y,-Z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) CASE (17) !P222(1) !symmetry= X,Y,Z !symmetry= -X,-Y,1/2+Z !symmetry= -X,Y,1/2-Z !symmetry= X,-Y,-Z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=0.5_DP+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=0.5_DP-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) CASE (18) !P2(1)2(1)2 !symmetry= X,Y,Z !symmetry= -X,-Y,Z !symmetry= 1/2-X,1/2+Y,-Z !symmetry= 1/2+X,1/2-Y,-Z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=0.5_DP-inco(1,i) outco(2,3,i)=0.5_DP+inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=0.5_DP+inco(1,i) outco(2,4,i)=0.5_DP-inco(2,i) outco(3,4,i)=-inco(3,i) CASE (19) !P2(1)2(1)2(1) !symmetry= X,Y,Z !symmetry= 1/2-X,-Y,1/2+Z !symmetry= -X,1/2+Y,1/2-Z !symmetry= 1/2+X,1/2-Y,-Z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=0.5_DP-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=0.5_DP+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=0.5_DP+inco(2,i) outco(3,3,i)=0.5_DP-inco(3,i) !S=4 outco(1,4,i)=0.5_DP+inco(1,i) outco(2,4,i)=0.5_DP-inco(2,i) outco(3,4,i)=-inco(3,i) CASE (20) !C222(1) ! symmetry= X,Y,Z !symmetry= -X,-Y,1/2+Z !symmetry= -X,Y,1/2-Z !symmetry= X,-Y,-Z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=0.5_DP+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i) outco(3,3,i)=0.5_DP-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) CASE (21) !C222 !symmetry= X,Y,Z !symmetry= -X,-Y,Z !symmetry= -X,Y,-Z !symmetry= X,-Y,-Z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) CASE (22) !F222 ! symmetry= X,Y,Z !symmetry= -X,-Y,Z !symmetry= -X,Y,-Z !symmetry= X,-Y,-Z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) CASE (23) !I222 !id !-x,-y,z !x,,y,-z !x,-y,-z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) CASE (24) !I2(1)2(1)2(1) !id !-x+1/2,-y,z+1/2 !-x,1/2+y,1/2-z !x+1/2,-y+1/2,-z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i) CASE (25) !Pmm2 !id !-x,-y,z !+x,-y,+z !-x,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(1,i) outco(2,3,i)=-inco(2,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=+inco(2,i) outco(3,4,i)=+inco(3,i) CASE (26) !Pmc2(1) !id !-x,-y,z+1/2 !+x,-y,+z+1/2 !-x,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=+inco(1,i) outco(2,3,i)=-inco(2,i) outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=+inco(2,i) outco(3,4,i)=+inco(3,i) CASE (27) !Pcc2 !id !-x,-y,z !+x,-y,+z+1/2 !-x,y,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(1,i) outco(2,3,i)=-inco(2,i) outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=+inco(2,i) outco(3,4,i)=+inco(3,i)+0.5_DP CASE (28) !Pma2 !id !-x,-y,z !1/2+x,-y,z !1/2-x,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(1,i)+0.5_DP outco(2,3,i)=-inco(2,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i)+0.5_DP outco(2,4,i)=+inco(2,i) outco(3,4,i)=+inco(3,i) CASE (29) !Pca2(1) !id !-x,-y,z+1/2 !1/2+x,-y,z !1/2-x,y,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=+inco(1,i)+0.5_DP outco(2,3,i)=-inco(2,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i)+0.5_DP outco(2,4,i)=+inco(2,i) outco(3,4,i)=+inco(3,i)+0.5_DP CASE (30) !Pnc2 !id !-x,-y,z !+x,1/2-y,z+1/2 !-x,y+1/2,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(1,i) outco(2,3,i)=-inco(2,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=+inco(2,i)+0.5_DP outco(3,4,i)=+inco(3,i)+0.5_DP CASE (31) !Pmn2(1) !id !1/2-x,-y,z+1/2 !1/2+x,-y,z+1/2 !-x,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=+inco(1,i)+0.5_DP outco(2,3,i)=-inco(2,i) outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=+inco(2,i) outco(3,4,i)=+inco(3,i) CASE (32) !Pba2 !id !-x,-y,z !1/2+x,1/2-y,z !1/2-x,1/2+y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(1,i)+0.5_DP outco(2,3,i)=-inco(2,i)+0.5_DP outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i)+0.5_DP outco(2,4,i)=+inco(2,i)+0.5_DP outco(3,4,i)=+inco(3,i) CASE (33) !Pna2(1) !id !-x,-y,z+1/2 !1/2+x,1/2-y,z !1/2-x,1/2+y,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=+inco(1,i)+0.5_DP outco(2,3,i)=-inco(2,i)+0.5_DP outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i)+0.5_DP outco(2,4,i)=+inco(2,i)+0.5_DP outco(3,4,i)=+inco(3,i)+0.5_DP CASE (34) !Pnn2 !id !-x,-y,z !1/2+x,1/2-y,1/2+z !1/2-x,1/2+y,1/2+z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(1,i)+0.5_DP outco(2,3,i)=-inco(2,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=-inco(1,i)+0.5_DP outco(2,4,i)=+inco(2,i)+0.5_DP outco(3,4,i)=+inco(3,i)+0.5_DP CASE (35) !Cmm2 !id !-x,-y,z !+x,-y,z !-x,+y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(1,i) outco(2,3,i)=-inco(2,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=+inco(2,i) outco(3,4,i)=+inco(3,i) CASE (36) !Cmc2(1) !id !-x,-y,z+1/2 !+x,-y,z+1/2 !-x,+y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=+inco(1,i) outco(2,3,i)=-inco(2,i) outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=+inco(2,i) outco(3,4,i)=+inco(3,i) CASE (37) !Ccc2 !id !-x,-y,z !+x,-y,z+1/2 !-x,+y,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(1,i) outco(2,3,i)=-inco(2,i) outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=+inco(2,i) outco(3,4,i)=+inco(3,i)+0.5_DP CASE (38) !Amm2 !id !-x,-y,z !x,-y,z !-x,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(1,i) outco(2,3,i)=-inco(2,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=+inco(2,i) outco(3,4,i)=+inco(3,i) CASE (39) !Abm2 !id !-x,-y,z !x,-y+1/2,z !-x,y+1/2,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(1,i) outco(2,3,i)=-inco(2,i)+0.5_DP outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=+inco(2,i)+0.5_DP outco(3,4,i)=+inco(3,i) CASE (40) !Ama2 !id !-x,-y,z !x+1/2,-y,z !-x+1/2,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(1,i)+0.5_DP outco(2,3,i)=-inco(2,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i)+0.5_DP outco(2,4,i)=+inco(2,i) outco(3,4,i)=+inco(3,i) CASE (41) !Aba2 !id !-x,-y,z !x+1/2,-y+1/2,z !-x+1/2,y+1/2,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(1,i)+0.5_DP outco(2,3,i)=-inco(2,i)+0.5_DP outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i)+0.5_DP outco(2,4,i)=+inco(2,i)+0.5_DP outco(3,4,i)=+inco(3,i) CASE (42) !Fmm2 !id !-x,-y,z !x,-y,z !-x,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(1,i) outco(2,3,i)=-inco(2,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=+inco(2,i) outco(3,4,i)=+inco(3,i) CASE (43) !Fdd2 !id !-x,-y,z !x+1/4,-y+1/4,z+1/4 !-x+1/4,y+1/4,z+1/4 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(1,i)+0.25_DP outco(2,3,i)=-inco(2,i)+0.25_DP outco(3,3,i)=+inco(3,i)+0.25_DP !S=4 outco(1,4,i)=-inco(1,i)+0.25_DP outco(2,4,i)=+inco(2,i)+0.25_DP outco(3,4,i)=+inco(3,i)+0.25_DP CASE (44) !Imm2 !id !-x,-y,z !x,-y,z !-x,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(1,i) outco(2,3,i)=-inco(2,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=+inco(2,i) outco(3,4,i)=+inco(3,i) CASE (45) !Iba2 !id !-x,-y,z !x+1/2,-y+1/2,z !-x+1/2,y+1/2,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(1,i)+0.5_DP outco(2,3,i)=-inco(2,i)+0.5_DP outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i)+0.5_DP outco(2,4,i)=+inco(2,i)+0.5_DP outco(3,4,i)=+inco(3,i) CASE (46) !Ima2 !id !-x,-y,z !x+1/2,-y,z !-x+1/2,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(1,i)+0.5_DP outco(2,3,i)=-inco(2,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i)+0.5_DP outco(2,4,i)=+inco(2,i) outco(3,4,i)=+inco(3,i) CASE (47) !Pmmm !id !-x,-y,z !-x,+y,-z !+x,-y,-z !-x,-y,-z !x,y,-z !x,-y,z !-x,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=-inco(1,i) outco(2,8,i)=+inco(2,i) outco(3,8,i)=+inco(3,i) CASE (48) !Pnnn IF (unique=='1') THEN !id !-x,-y,z !-x,+y,-z !+x,-y,-z !-x+1/2,-y+1/2,-z+1/2 !x+1/2,y+1/2,-z+1/2 !x+1/2,-y+/2,z+1/2 !-x+1/2,y+1/2,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=-inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(1,i)+0.5_DP outco(2,7,i)=-inco(2,i)+0.5_DP outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i)+0.5_DP outco(2,8,i)=+inco(2,i)+0.5_DP outco(3,8,i)=+inco(3,i)+0.5_DP END IF IF (unique=='2') THEN !id !-x+1/2,-y+1/2,z !-x+1/2,+y,-z+1/2 !+x,-y+1/2,-z+1/2 !-x,-y,-z !x+1/2,y+1/2,-z !x+1/2,-y,z+1/2 !-x,y+1/2,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+0.5_DP outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i)+0.5_DP outco(2,7,i)=-inco(2,i) outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i) outco(2,8,i)=+inco(2,i)+0.5_DP outco(3,8,i)=+inco(3,i)+0.5_DP END IF CASE (49) !Pccm !id !-x,-y,z !-x,+y,-z+1/2 !+x,-y,-z+1/2 !-x,-y,-z !x,y,-z !x,-y,z+1/2 !-x,y,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i) outco(2,8,i)=+inco(2,i) outco(3,8,i)=+inco(3,i)+0.5_DP CASE (50) !Pban IF (unique=='1') THEN !id !-x,-y,z !-x,+y,-z !+x,-y,-z !-x+1/2,-y+1/2,-z !x+1/2,y+1/2,-z !x+1/2,-y+1/2,z !-x+1/2,y+1/2,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=-inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i)+0.5_DP outco(2,7,i)=-inco(2,i)+0.5_DP outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=-inco(1,i)+0.5_DP outco(2,8,i)=+inco(2,i)+0.5_DP outco(3,8,i)=+inco(3,i) END IF IF (unique=='2') THEN !id !-x+1/2,-y+1/2,z !-x+1/2,+y,-z !+x,-y+1/2,-z !-x,-y,-z !x+1/2,y+1/2,-z !x+1/2,-y,z !-x,y+1/2,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+0.5_DP outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i)+0.5_DP outco(2,7,i)=-inco(2,i) outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=-inco(1,i) outco(2,8,i)=+inco(2,i)+0.5_DP outco(3,8,i)=+inco(3,i) END IF CASE (51) !Pmma !id !-x+1/2,-y,z !-x,+y,-z !+x+1/2,-y,-z !-x,-y,-z !x+1/2,y,-z !x,-y,z !-x+1/2,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=-inco(1,i)+0.5_DP outco(2,8,i)=+inco(2,i) outco(3,8,i)=+inco(3,i) CASE (52) !Pnna !id !-x+1/2,-y,z !-x+1/2,+y+1/2,-z+1/2 !+x,-y+1/2,-z+1/2 !-x,-y,-z !x+1/2,y,-z !x+1/2,-y+1/2,z+1/2 !-x,y+1/2,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+0.5_DP outco(2,3,i)=+inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i)+0.5_DP outco(2,7,i)=-inco(2,i)+0.5_DP outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i) outco(2,8,i)=+inco(2,i)+0.5_DP outco(3,8,i)=+inco(3,i)+0.5_DP CASE (53) !Pmna !id !-x+1/2,-y,z+1/2 !-x+1/2,+y,-z+1/2 !+x,-y,-z !-x,-y,-z !x+1/2,y,-z+1/2 !x+1/2,-y,z+1/2 !-x,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i)+0.5_DP outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(1,i)+0.5_DP outco(2,7,i)=-inco(2,i) outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i) outco(2,8,i)=+inco(2,i) outco(3,8,i)=+inco(3,i) CASE (54) !Pcca !id !-x+1/2,-y,z !-x,+y,-z+1/2 !+x+1/2,-y,-z+1/2 !-x,-y,-z !x+1/2,y,-z !x,-y,z+1/2 !-x+1/2,y,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i)+0.5_DP outco(2,8,i)=+inco(2,i) outco(3,8,i)=+inco(3,i)+0.5_DP CASE (55) !Pbam !id !-x,-y,z !-x+1/2,+y+1/2,-z !+x+1/2,-y+1/2,-z !-x,-y,-z !x,y,-z !x+1/2,-y+1/2,z !-x+1/2,y+1/2,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+0.5_DP outco(2,3,i)=+inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i)+0.5_DP outco(2,7,i)=-inco(2,i)+0.5_DP outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=-inco(1,i)+0.5_DP outco(2,8,i)=+inco(2,i)+0.5_DP outco(3,8,i)=+inco(3,i) CASE (56) !Pccn !id !-x+1/2,-y+1/2,z !-x,+y+1/2,-z+1/2 !+x+1/2,-y,-z+1/2 !-x,-y,-z !x+1/2,y+1/2,-z !x,-y+1/2,z+1/2 !-x+1/2,y,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i)+0.5_DP outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i)+0.5_DP outco(2,8,i)=+inco(2,i) outco(3,8,i)=+inco(3,i)+0.5_DP CASE (57) !Pbcm !id !-x,-y,z+1/2 !-x,+y+1/2,-z+1/2 !+x,-y+1/2,-z !-x,-y,-z !x,y,-z+1/2 !x,-y+1/2,z+1/2 !-x,y+1/2,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i)+0.5_DP outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i) outco(2,8,i)=+inco(2,i)+0.5_DP outco(3,8,i)=+inco(3,i) CASE (58) !Pnnm !id !-x,-y,z !-x+1/2,+y+1/2,-z+1/2 !+x+1/2,-y+1/2,-z+1/2 !-x,-y,-z !x,y,-z !x+1/2,-y+1/2,z+1/2 !-x+1/2,y+1/2,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+0.5_DP outco(2,3,i)=+inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i)+0.5_DP outco(2,7,i)=-inco(2,i)+0.5_DP outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i)+0.5_DP outco(2,8,i)=+inco(2,i)+0.5_DP outco(3,8,i)=+inco(3,i)+0.5_DP CASE (59) !Pmmn IF (unique=='1') THEN !id !-x,-y,z !-x+1/2,+y+1/2,-z !+x+1/2,-y+1/2,-z !-x+1/2,-y+1/2,-z !x+1/2,y+1/2,-z !x,-y,z !-x,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+0.5_DP outco(2,3,i)=+inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=-inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=-inco(1,i) outco(2,8,i)=+inco(2,i) outco(3,8,i)=+inco(3,i) END IF IF (unique=='2') THEN !id !-x+1/2,-y+1/2,z !-x,+y+1/2,-z !+x+1/2,-y,-z !-x,-y,-z !x+1/2,y+1/2,-z !x,-y+1/2,z !-x+1/2,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i)+0.5_DP outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=-inco(1,i)+0.5_DP outco(2,8,i)=+inco(2,i) outco(3,8,i)=+inco(3,i) END IF CASE (60) !Pbcn !id !-x+1/2,-y+1/2,z+1/2 !-x,+y,-z+1/2 !+x+1/2,-y+1/2,-z !-x,-y,-z !x+1/2,y+1/2,-z+1/2 !x,-y,z+1/2 !-x+1/2,y+1/2,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i)+0.5_DP outco(2,8,i)=+inco(2,i)+0.5_DP outco(3,8,i)=+inco(3,i) CASE (61) !Pbca !id !-x+1/2,-y,z+1/2 !-x,+y+1/2,-z+1/2 !+x+1/2,-y+1/2,-z !-x,-y,-z !x+1/2,y,-z+1/2 !x,-y+1/2,z+1/2 !-x+1/2,y+1/2,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i)+0.5_DP outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i)+0.5_DP outco(2,8,i)=+inco(2,i)+0.5_DP outco(3,8,i)=+inco(3,i) CASE (62) !Pnma !id !-x+1/2,-y,z+1/2 !-x,+y+1/2,-z !+x+1/2,-y+1/2,-z+1/2 !-x,-y,-z !x+1/2,y,-z+1/2 !x,-y+1/2,z !-x+1/2,y+1/2,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i)+0.5_DP outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=-inco(1,i)+0.5_DP outco(2,8,i)=+inco(2,i)+0.5_DP outco(3,8,i)=+inco(3,i)+0.5_DP CASE (63) !Cmcm !id !-x,-y,z+1/2 !-x,+y,-z+1/2 !+x,-y,-z !-x,-y,-z !x,y,-z+1/2 !x,-y,z+1/2 !-x,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i)+0.5_DP outco(2,8,i)=+inco(2,i)+0.5_DP outco(3,8,i)=+inco(3,i) CASE (64) !Cmca !id !-x,-y+1/2,z+1/2 !-x,+y,-z+1/2 !+x+1/2,-y+1/2,-z !-x,-y,-z !x+1/2,y+1/2,-z+1/2 !x,-y,z+1/2 !-x+1/2,y+1/2,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i)+0.5_DP outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i) outco(2,8,i)=+inco(2,i) outco(3,8,i)=+inco(3,i) CASE (65) !Cmmm !id !-x,-y,z !-x,+y,-z !+x,-y,-z !-x,-y,-z !x,y,-z !x,-y,z !-x,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=-inco(1,i) outco(2,8,i)=+inco(2,i) outco(3,8,i)=+inco(3,i) CASE (66) !Cccm !id !-x,-y,z !-x,+y,-z+1/2 !+x,-y,-z+1/2 !-x,-y,-z !x,y,-z !x,-y,z+1/2 !-x,y,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i) outco(2,8,i)=+inco(2,i) outco(3,8,i)=+inco(3,i)+0.5_DP CASE (67) !Cmma !id !-x,-y+1/2,z !-x,+y,-z+1/2 !+x,-y,-z !-x,-y,-z !x,y+1/2,-z !x,-y+1/2,z !-x,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i)+0.5_DP outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=-inco(1,i) outco(2,8,i)=+inco(2,i) outco(3,8,i)=+inco(3,i) CASE (68) !Ccca IF (unique=='1') THEN !id !-x+1/2,-y+1/2,z !-x,+y,-z !+x+1/2,-y+1/2,-z !-x,-y+1/2,-z+1/2 !x+1/2,y,-z+1/2 !x,-y+1/2,z+1/2 !-x+1/2,y,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i)+0.5_DP outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i)+0.5_DP outco(2,8,i)=+inco(2,i) outco(3,8,i)=+inco(3,i)+0.5_DP END IF IF (unique=='2') THEN !id !-x+1/2,-y+1/2,z !-x,+y,-z !+x+1/2,-y,-z+1/2 !-x,-y,-z !x+1/2,y,-z !x,-y+,z+1/2 !-x+1/2,y,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i)+0.5_DP outco(2,8,i)=+inco(2,i) outco(3,8,i)=+inco(3,i)+0.5_DP END IF CASE (69) !Fmmm !id !-x,-y,z !-x,+y,-z !+x,-y,-z !-x,-y,-z !x,y,-z !x,-y,z !-x,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=-inco(1,i) outco(2,8,i)=+inco(2,i) outco(3,8,i)=+inco(3,i) CASE (70) !Fddd IF (unique=='1') THEN !id !-x,-y,z !-x,+y,-z !+x,-y,-z !-x+1/4,-y+1/4,-z+1/4 !x+1/4,y+1/4,-z+1/4 !x+1/4,-y+1/4,z+1/4 !-x+1/4,y+1/4,z+1/4 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i)+0.25_DP outco(2,5,i)=-inco(2,i)+0.25_DP outco(3,5,i)=-inco(3,i)+0.25_DP !S=6 outco(1,6,i)=+inco(1,i)+0.25_DP outco(2,6,i)=+inco(2,i)+0.25_DP outco(3,6,i)=-inco(3,i)+0.25_DP !S=7 outco(1,7,i)=+inco(1,i)+0.25_DP outco(2,7,i)=-inco(2,i)+0.25_DP outco(3,7,i)=+inco(3,i)+0.25_DP !S=8 outco(1,8,i)=-inco(1,i)+0.25_DP outco(2,8,i)=+inco(2,i)+0.25_DP outco(3,8,i)=+inco(3,i)+0.25_DP END IF IF (unique=='2') THEN !id !-x+3/4,-y+3/4,z !-x+3/4,+y,-z+3/4 !+x,-y+3/4,-z+3/4 !-x,-y,-z !x+3/4,y+3/4,-z !x+3/4,-y,z+3/4 !-x,y+3/4,z+3/4 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.75_DP outco(2,2,i)=-inco(2,i)+0.75_DP outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+0.75_DP outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i)+0.75_DP !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i)+0.75_DP outco(3,4,i)=-inco(3,i)+0.75_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.75_DP outco(2,6,i)=+inco(2,i)+0.75_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i)+0.75_DP outco(2,7,i)=-inco(2,i) outco(3,7,i)=+inco(3,i)+0.75_DP !S=8 outco(1,8,i)=-inco(1,i) outco(2,8,i)=+inco(2,i)+0.75_DP outco(3,8,i)=+inco(3,i)+0.75_DP END IF CASE (71) !Immm !id !-x,-y,z !-x,+y,-z !+x,-y,-z !-x,-y,-z !x,y,-z !x,-y,z !-x,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=-inco(1,i) outco(2,8,i)=+inco(2,i) outco(3,8,i)=+inco(3,i) CASE (72) !Ibam !id !-x,-y,z !-x+1/2,+y+1/2,-z !+x+1/2,-y+1/2,-z !-x,-y,-z !x,y,-z !x+1/2,-y+1/2,z !-x+1/2,y+1/2,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+0.5_DP outco(2,3,i)=+inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i)+0.5_DP outco(2,7,i)=-inco(2,i)+0.5_DP outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=-inco(1,i)+0.5_DP outco(2,8,i)=+inco(2,i)+0.5_DP outco(3,8,i)=+inco(3,i) CASE (73) !Ibca !id !-x+1/2,-y,z+1/2 !-x,+y+1/2,-z+1/2 !+x+1/2,-y+1/2,-z !-x,-y,-z !x+1/2,y,-z+1/2 !x,-y+1/2,z+1/2 !-x+1/2,y+1/2,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i)+0.5_DP outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i)+0.5_DP outco(2,8,i)=+inco(2,i)+0.5_DP outco(3,8,i)=+inco(3,i) CASE (74) !Imma !id !-x,-y+1/2,z !-x,+y+1/2,-z !+x,-y,-z !-x,-y,-z !x,y+1/2,-z !x,-y+1/2,z !-x,y,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=+inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(1,i) outco(2,7,i)=-inco(2,i)+0.5_DP outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=-inco(1,i) outco(2,8,i)=+inco(2,i) outco(3,8,i)=+inco(3,i) !***************************************** !Tetragonal 75-142 CASE (75) !P4 !id !-x,-y,z !-y,x,z !y,-x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) CASE (76) !P4(1) !id !-x,-y,z+1/2 !-y,x,z+1/4 !y,-x,z+3/4 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i)+0.25_DP !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.75_DP CASE (77) !P4(2) !id !-x,-y,z !-y,x,z+1/2 !y,-x,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.5_DP CASE (78) !P4(3) !id !-x,-y,z+1/2 !-y,x,z+3/4 !y,-x,z+1/4 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i)+0.75_DP !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.25_DP CASE (79) !I4 !id !-x,-y,z !-y,x,z !y,-x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) CASE (80) !I4(1) !id !-x+1/2,-y+1/2,z+1/2 !-y,x+1/2,z+1/4 !y+1/2,-x,z+3/4 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.25_DP !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.75_DP CASE (81) !P-4 !id !-x,-y,z !y,-x,-z !-y,x,-z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) CASE (82) !I-4 !id !-x,-y,z !+y,-x,-z !-y,x,-z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) CASE (83) !P4/m !id !-x,-y,z !-y,x,z !y,-x,z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x-z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=+inco(1,i) outco(3,8,i)=-inco(3,i) CASE (84) !P(2)/m !id !-x,-y,z !-y,x,z+1/2 !y,-x,z+1/2 !-x,-y,-z !x,y,-z !y,-x,-z+1/2 !-y,x-z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=+inco(1,i) outco(3,8,i)=-inco(3,i)+0.5_DP CASE (85) !P4/n IF (unique=='1') THEN !id !-x,-y,z !-y+1/2,x+1/2,z !y+1/2,-x+1/2,z !-x+1/2,-y+1/2,-z !x+1/2,y+1/2,-z !y,-x,-z !-y,x-z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=-inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=+inco(1,i) outco(3,8,i)=-inco(3,i) END IF IF (unique=='2') THEN !id !-x+1/2,-y+1/2,z !-y+1/2,x,z !y,-x+1/2,z !-x,-y,-z !x+1/2,y+1/2,-z !y+1/2,-x,-z !-y,x+1/2,-z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i)+0.5_DP outco(2,7,i)=-inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=+inco(1,i)+0.5_DP outco(3,8,i)=-inco(3,i) END IF CASE (86) !P4(2)/n IF (unique=='1') THEN !id !-x,-y,z !-y+1/2,x+1/2,z+1/2 !y+1/2,-x+1/2,z+1/2 !-x+1/2,-y+1/2,-z+1/2 !x+1/2,y+1/2,-z+1/2 !y,-x,-z !-y,x-z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=-inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=+inco(1,i) outco(3,8,i)=-inco(3,i) END IF IF (unique=='2') THEN !id !-x+1/2,-y+1/2,z !-y,x+1/2,z+1/2 !y+1/2,-x,z+1/2 !-x,-y,-z !x+1/2,y+1/2,-z !y,-x+1/2,-z+1/2 !-y+1/2,x,-z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=-inco(1,i)+0.5_DP outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i)+0.5_DP outco(2,8,i)=+inco(1,i) outco(3,8,i)=-inco(3,i)+0.5_DP END IF CASE (87) !I4/m !id !-x,-y,z !-y,x,z !y,-x,z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x-z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=+inco(1,i) outco(3,8,i)=-inco(3,i) CASE (88) !I4(1)/a IF (unique=='1') THEN !id !-x+1/2,-y+1/2,z+1/2 !-y,x+1/2,z+1/4 !y+1/2,-x,z+3/4 !-x,-y+1/2,-z+1/4 !x+1/2,y,-z+3/4 !y,-x,-z !-y+1/2,x+1/2,-z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.25_DP !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.75_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i)+0.25_DP !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i)+0.75_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i)+0.5_DP outco(2,8,i)=+inco(1,i)+0.5_DP outco(3,8,i)=-inco(3,i)+0.5_DP END IF IF (unique=='2') THEN !id !-x+1/2,-y,z+1/2 !-y+3/4,x+1/4,z+1/4 !y+3/4,-x+3/4,z+3/4 !-x,-y,-z !x+1/2,y,-z+1/2 !y+1/4,-x+3/4,-z+3/4 !-y+1/4,x+1/4,-z+1/4 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(2,i)+0.75_DP outco(2,3,i)=+inco(1,i)+0.25_DP outco(3,3,i)=+inco(3,i)+0.25_DP !S=4 outco(1,4,i)=+inco(2,i)+0.75_DP outco(2,4,i)=-inco(1,i)+0.75_DP outco(3,4,i)=+inco(3,i)+0.75_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i)+0.25_DP outco(2,7,i)=-inco(1,i)+0.75_DP outco(3,7,i)=-inco(3,i)+0.75_DP !S=8 outco(1,8,i)=-inco(2,i)+0.25_DP outco(2,8,i)=+inco(1,i)+0.25_DP outco(3,8,i)=-inco(3,i)+0.25_DP END IF CASE (89) !P422 !id !-x,-y,z !-y,x,z !y,-x,z !-x,+y,-z !x,-y,-z !y,x,-z !-y,-x-z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i) CASE (90) !P42(1)2 !id !-x,-y,z !-y+1/2,x+1/2,z !y+1/2,-x+1/2,z !-x+1/2,+y+1/2,-z !x+1/2,-y+1/2,-z !y,x,-z !-y,-x-z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i) CASE (91) !P4(1)22 !id !-x,-y,z+1/2 !-y,x,z+1/4 !y,-x,z+3/4 !-x,+y,-z !x,-y,-z+1/2 !y,x,-z+3/4 !-y,-x-z+1/4 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i)+0.25_DP !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.75_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i)+0.75_DP !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i)+0.25_DP CASE (92) !P4(1)2(1)2 !id !-x,-y,z+1/2 !-y+1/2,x+1/2,z+1/4 !y+1/2,-x+1/2,z+3/4 !-x+1/2,+y+1/2,-z+1/4 !x+1/2,-y+1/2,-z+3/4 !y,x,-z !-y,-x-z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.25_DP !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i)+0.75_DP !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i)+0.25_DP !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i)+0.75_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i)+0.5_DP CASE (93) !P4(2)22 !id !-x,-y,z !-y,x,z+1/2 !y,-x,z+1/2 !-x,+y,-z !x,-y,-z !y,x,-z+1/2 !-y,-x-z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i)+0.5_DP CASE (94) !P4(2)2(1)2 !id !-x,-y,z !-y+1/2,x+1/2,z+1/2 !y+1/2,-x+1/2,z+1/2 !-x+1/2,+y+1/2,-z+1/2 !x+1/2,-y+1/2,-z+1/2 !y,x,-z !-y,-x,-z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i) CASE (95) !P4(3)22 !id !-x,-y,z+1/2 !-y,x,z+3/4 !y,-x,z+1/4 !-x,+y,-z !x,-y,-z+1/2 !y,x,-z+1/4 !-y,-x-z+3/4 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i)+0.75_DP !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.25_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i)+0.25_DP !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i)+0.75_DP CASE (96) !P4(3)2(1)2 !id !-x,-y,z+1/2 !-y,x,z+1/4 !y,-x,z+3/4 !-x,+y,-z !x,-y,-z+1/2 !y,x,-z+3/4 !-y,-x-z+1/4 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.75_DP !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i)+0.25_DP !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i)+0.75_DP !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i)+0.25_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i)+0.5_DP CASE (97) !I422 !id !-x,-y,z !-y,x,z !y,-x,z !-x,+y,-z !x,-y,-z !y,x,-z !-y,-x-z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i) CASE (98) !I4(1)22 !id !-x+1/2,-y+1/2,z+1/2 !-y,x,z+1/4 !y,-x,z+3/4 !-x,+y,-z !x,-y,-z+1/2 !y,x,-z+3/4 !-y,-x-z+1/4 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.25_DP !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.75_DP !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i)+0.75_DP !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i)+0.25_DP !S=7 outco(1,7,i)=+inco(2,i)+0.5_DP outco(2,7,i)=+inco(1,i)+0.5_DP outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i) CASE (99) !P4mm !id !-x,-y,z !-y,x,z !y,-x,z !+x,-y,+z !-x,+y,+z !-y,-x,+z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=+inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=+inco(3,i) !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=+inco(3,i) !S=7 outco(1,7,i)=-inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=+inco(2,i) outco(2,8,i)=+inco(1,i) outco(3,8,i)=+inco(3,i) CASE (100) !P4bm !id !-x,-y,z !-y,x,z !y,-x,z !+x+1/2,-y+1/2,+z !-x+1/2,+y+1/2,+z !-y+1/2,-x+1/2,+z !y+1/2,x+1/2,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=+inco(1,i)+0.5_DP outco(2,5,i)=-inco(2,i)+0.5_DP outco(3,5,i)=+inco(3,i) !S=6 outco(1,6,i)=-inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=+inco(3,i) !S=7 outco(1,7,i)=-inco(2,i)+0.5_DP outco(2,7,i)=-inco(1,i)+0.5_DP outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=+inco(2,i)+0.5_DP outco(2,8,i)=+inco(1,i)+0.5_DP outco(3,8,i)=+inco(3,i) CASE (101) !P4(2)cm !id !-x,-y,z !-y,x,z+1/2 !y,-x,z+1/2 !+x,-y,+z+1/2 !-x,+y,+z+1/2 !-y,-x,+z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=+inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=+inco(3,i)+0.5_DP !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=+inco(3,i)+0.5_DP !S=7 outco(1,7,i)=-inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=+inco(2,i) outco(2,8,i)=+inco(1,i) outco(3,8,i)=+inco(3,i) CASE (102) !P4(2)nm !id !-x,-y,z !-y+1/2,x+1/2,z+1/2 !y+1/2,-x+1/2,z+1/2 !+x+1/2,-y+1/2,+z+1/2 !-x+1/2,+y+1/2,+z+1/2 !-y,-x,+z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=+inco(1,i)+0.5_DP outco(2,5,i)=-inco(2,i)+0.5_DP outco(3,5,i)=+inco(3,i)+0.5_DP !S=6 outco(1,6,i)=-inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=+inco(3,i)+0.5_DP !S=7 outco(1,7,i)=-inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=+inco(2,i) outco(2,8,i)=+inco(1,i) outco(3,8,i)=+inco(3,i) CASE (103) !P4cc !id !-x,-y,z !-y,x,z !y,-x,z !+x,-y,+z+1/2 !-x,+y,+z+1/2 !-y,-x,+z+1/2 !y,x,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=+inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=+inco(3,i)+0.5_DP !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=+inco(3,i)+0.5_DP !S=7 outco(1,7,i)=-inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=+inco(2,i) outco(2,8,i)=+inco(1,i) outco(3,8,i)=+inco(3,i)+0.5_DP CASE (104) !P4nc !id !-x,-y,z !-y,x,z !y,-x,z !+x+1/2,-y+1/2,+z+1/2 !-x+1/2,+y+1/2,+z+1/2 !-y+1/2,-x+1/2,+z+1/2 !y+1/2,x+1/2,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=+inco(1,i)+0.5_DP outco(2,5,i)=-inco(2,i)+0.5_DP outco(3,5,i)=+inco(3,i)+0.5_DP !S=6 outco(1,6,i)=-inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=+inco(3,i)+0.5_DP !S=7 outco(1,7,i)=-inco(2,i)+0.5_DP outco(2,7,i)=-inco(1,i)+0.5_DP outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=+inco(2,i)+0.5_DP outco(2,8,i)=+inco(1,i)+0.5_DP outco(3,8,i)=+inco(3,i)+0.5_DP CASE (105) !P4(2)mc !id !-x,-y,z !-y,x,z+1/2 !y,-x,z+1/2 !+x,-y,+z !-x,+y,+z !-y,-x,+z+1/2 !y,x,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=+inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=+inco(3,i) !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=+inco(3,i) !S=7 outco(1,7,i)=-inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=+inco(2,i) outco(2,8,i)=+inco(1,i) outco(3,8,i)=+inco(3,i)+0.5_DP CASE (106) !P4(2)bc !id !-x,-y,z !-y,x,z+1/2 !y,-x,z+1/2 !+x+1/2,-y+1/2,+z !-x+1/2,+y+1/2,+z+1/2 !-y+1/2,-x+1/2,+z+1/2 !y+1/2,x+1/2,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=+inco(1,i)+0.5_DP outco(2,5,i)=-inco(2,i)+0.5_DP outco(3,5,i)=+inco(3,i) !S=6 outco(1,6,i)=-inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=+inco(3,i) !S=7 outco(1,7,i)=-inco(2,i)+0.5_DP outco(2,7,i)=-inco(1,i)+0.5_DP outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=+inco(2,i)+0.5_DP outco(2,8,i)=+inco(1,i)+0.5_DP outco(3,8,i)=+inco(3,i)+0.5_DP CASE (107) !I4mm !id !-x,-y,z !-y,x,z !y,-x,z !+x,-y,+z !-x,+y,+z !-y,-x,+z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=+inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=+inco(3,i) !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=+inco(3,i) !S=7 outco(1,7,i)=-inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=+inco(2,i) outco(2,8,i)=+inco(1,i) outco(3,8,i)=+inco(3,i) CASE (108) !I4cm !id !-x,-y,z !-y,x,z !y,-x,z !+x+1/2,-y+1/2,+z !-x+1/2,+y+1/2,+z !-y+1/2,-x+1/2,+z !y+1/2,x+1/2,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=+inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=+inco(3,i)+0.5_DP !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=+inco(3,i)+0.5_DP !S=7 outco(1,7,i)=-inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=+inco(2,i) outco(2,8,i)=+inco(1,i) outco(3,8,i)=+inco(3,i)+0.5_DP CASE (109) !I4(1)md !id !-x+1/2,-y+1/2,z+1/2 !-y,x+1/2,z+1/4 !y+1/2,-x,z+3/4 !+x,-y,+z !-x+1/2,+y+1/2,+z+1/2 !-y,-x+1/2,+z+1/2 !y+1/2,x,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.25_DP !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.75_DP !S=5 outco(1,5,i)=+inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=+inco(3,i) !S=6 outco(1,6,i)=-inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=+inco(3,i)+0.5_DP !S=7 outco(1,7,i)=-inco(2,i) outco(2,7,i)=-inco(1,i)+0.5_DP outco(3,7,i)=+inco(3,i)+0.25_DP !S=8 outco(1,8,i)=+inco(2,i)+0.5_DP outco(2,8,i)=+inco(1,i) outco(3,8,i)=+inco(3,i)+0.75_DP CASE (110) !I4(1)cd !id !-x+1/2,-y+1/2,z+1/2 !-y,x+1/2,z+1/4 !y+1/2,-x,z+3/4 !+x,-y,+z+1/2 !-x+1/2,+y+1/2,+z !-y,-x+1/2,+z+3/4 !y+1/2,x,z+1/4 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.25_DP !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.75_DP !S=5 outco(1,5,i)=+inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=+inco(3,i)+0.5_DP !S=6 outco(1,6,i)=-inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=+inco(3,i) !S=7 outco(1,7,i)=-inco(2,i) outco(2,7,i)=-inco(1,i)+0.5_DP outco(3,7,i)=+inco(3,i)+0.75_DP !S=8 outco(1,8,i)=+inco(2,i)+0.5_DP outco(2,8,i)=+inco(1,i) outco(3,8,i)=+inco(3,i)+0.25_DP CASE (111) !P-42m !id !-x,-y,z !y,-x,-z !-y,+x,-z !-x,+y,-z !+x,-y,-z !-y,-x,+z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=-inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=+inco(2,i) outco(2,8,i)=+inco(1,i) outco(3,8,i)=+inco(3,i) CASE (112) !P-42c !id !-x,-y,z !y,-x,-z !-y,+x,-z !-x,+y,-z+1/2 !+x,-y,-z+1/2 !-y,-x,+z+1/2 !y,x,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=-inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=+inco(2,i) outco(2,8,i)=+inco(1,i) outco(3,8,i)=+inco(3,i)+0.5_DP CASE (113) !P-42(1)m !id !-x,-y,z !y,-x,-z !-y,+x,-z !-x+1/2,+y+1/2,-z !+x+1/2,-y+1/2,-z !-y+1/2,-x+1/2,+z !y+1/2,x+1/2,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=-inco(2,i)+0.5_DP outco(2,7,i)=-inco(1,i)+0.5_DP outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=+inco(2,i)+0.5_DP outco(2,8,i)=+inco(1,i)+0.5_DP outco(3,8,i)=+inco(3,i) CASE (114) !P-42(1)c !id !-x,-y,z !y,-x,-z !-y,+x,-z !-x+1/2,+y+1/2,-z+1/2 !+x+1/2,-y+1/2,-z+1/2 !-y+1/2,-x+1/2,+z+1/2 !y+1/2,x+1/2,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=-inco(2,i)+0.5_DP outco(2,7,i)=-inco(1,i)+0.5_DP outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=+inco(2,i)+0.5_DP outco(2,8,i)=+inco(1,i)+0.5_DP outco(3,8,i)=+inco(3,i)+0.5_DP CASE (115) !P-4m2 !id !-x,-y,z !y,-x,-z !-y,+x,-z !+x,-y,+z !-x,+y,+z !+y,+x,-z !-y,-x,-z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=+inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=+inco(3,i) !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=+inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i) CASE (116) !P-4c2 !id !-x,-y,z !y,-x,-z !-y,+x,-z !+x,-y,+z+1/2 !-x,+y,+z+1/2 !+y,+x,-z+1/2 !-y,-x,-z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=+inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=+inco(3,i)+0.5_DP !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=+inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i)+0.5_DP CASE (117) !P-4b2 !id !-x,-y,z !y,-x,-z !-y,+x,-z !+x+1/2,-y+1/2,+z !-x+1/2,+y+1/2,+z !+y+1/2,+x+1/2,-z !-y+1/2,-x+1/2,-z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=+inco(1,i)+0.5_DP outco(2,5,i)=-inco(2,i)+0.5_DP outco(3,5,i)=+inco(3,i) !S=6 outco(1,6,i)=-inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=+inco(3,i) !S=7 outco(1,7,i)=+inco(2,i)+0.5_DP outco(2,7,i)=+inco(1,i)+0.5_DP outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i)+0.5_DP outco(2,8,i)=-inco(1,i)+0.5_DP outco(3,8,i)=-inco(3,i) CASE (118) !P-4n2 !id !-x,-y,z !y,-x,-z !-y,+x,-z !+x+1/2,-y+1/2,+z+1/2 !-x+1/2,+y+1/2,+z+1/2 !+y+1/2,+x+1/2,-z+1/2 !-y+1/2,-x+1/2,-z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=+inco(1,i)+0.5_DP outco(2,5,i)=-inco(2,i)+0.5_DP outco(3,5,i)=+inco(3,i)+0.5_DP !S=6 outco(1,6,i)=-inco(1,i)+0.5_DP outco(2,6,i)=+inco(2,i)+0.5_DP outco(3,6,i)=+inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i)+0.5_DP outco(2,7,i)=+inco(1,i)+0.5_DP outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i)+0.5_DP outco(2,8,i)=-inco(1,i)+0.5_DP outco(3,8,i)=-inco(3,i)+0.5_DP CASE (119) !I-4m2 !id !-x,-y,z !y,-x,-z !-y,+x,-z !+x,-y,+z !-x,+y,+z !+y,+x,-z !-y,-x,-z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=+inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=+inco(3,i) !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=+inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i) CASE (120) !I-4c2 !id !-x,-y,z !y,-x,-z !-y,+x,-z !+x,-y,+z+1/2 !-x,+y,+z+1/2 !+y,+x,-z+1/2 !-y,-x,-z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=+inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=+inco(3,i)+0.5_DP !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=+inco(2,i) outco(3,6,i)=+inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i)+0.5_DP CASE (121) !I-42m !id !-x,-y,z !y,-x,-z !-y,+x,-z !+x,-y,+z !-x,+y,+z !+y,+x,-z !-y,-x,-z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=-inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=+inco(2,i) outco(2,8,i)=+inco(1,i) outco(3,8,i)=+inco(3,i) CASE (122) !I-42d !id !-x,-y,z !y,-x,-z !-y,+x,-z !-x+1/2,+y,-z+3/4 !+x+1/2,-y,-z+3/4 !-y+1/2,-x,+z+3/4 !+y+1/2,+x,+z+3/4 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i)+0.75_DP !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i)+0.75_DP !S=7 outco(1,7,i)=-inco(2,i)+0.5_DP outco(2,7,i)=-inco(1,i) outco(3,7,i)=+inco(3,i)+0.75_DP !S=8 outco(1,8,i)=+inco(2,i)+0.5_DP outco(2,8,i)=+inco(1,i) outco(3,8,i)=+inco(3,i)+0.75_DP CASE (123) !P4/mmm !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i) outco(2,10,i)=+inco(2,i) outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i) outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i) outco(3,12,i)=-inco(3,i) !S=13 outco(1,13,i)=+inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=+inco(3,i) !S=14 outco(1,14,i)=-inco(1,i) outco(2,14,i)=+inco(2,i) outco(3,14,i)=+inco(3,i) !S=15 outco(1,15,i)=-inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=+inco(3,i) !S=16 outco(1,16,i)=+inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=+inco(3,i) CASE (124) !P4/mcc !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z+1/2 !+x,-y,-z+1/2 !+y,+x,-z+1/2 !-y,-x,-z+1/2 !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z+1/2 !-x,y,z+1/2 !-y,-x,z+1/2 !y,x,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i)+0.5_DP !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i) outco(2,10,i)=+inco(2,i) outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i) outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i) outco(3,12,i)=-inco(3,i) !S=13 outco(1,13,i)=+inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=+inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(1,i) outco(2,14,i)=+inco(2,i) outco(3,14,i)=+inco(3,i)+0.5_DP !S=15 outco(1,15,i)=-inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=+inco(3,i)+0.5_DP !S=16 outco(1,16,i)=+inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=+inco(3,i)+0.5_DP CASE (125) !P4/nbm IF (unique=='1') THEN !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x+1/2,-y+1/2,-z !x+1/2,y+1/2,-z !y+1/2,-x+1/2,-z !-y+1/2,x+1/2,-z !x+1/2,-y+1/2,z !-x+1/2,y+1/2,z !-y+1/2,-x+1/2,z !y+1/2,x+1/2,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i)+0.5_DP outco(2,9,i)=-inco(2,i)+0.5_DP outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i)+0.5_DP outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i)+0.5_DP outco(2,11,i)=-inco(1,i)+0.5_DP outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(2,i)+0.5_DP outco(2,12,i)=+inco(1,i)+0.5_DP outco(3,12,i)=-inco(3,i) !S=13 outco(1,13,i)=+inco(1,i)+0.5_DP outco(2,13,i)=-inco(2,i)+0.5_DP outco(3,13,i)=+inco(3,i) !S=14 outco(1,14,i)=-inco(1,i)+0.5_DP outco(2,14,i)=+inco(2,i)+0.5_DP outco(3,14,i)=+inco(3,i) !S=15 outco(1,15,i)=-inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=+inco(3,i) !S=16 outco(1,16,i)=+inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=+inco(3,i) END IF IF (unique=='2') THEN !id !-x+1/2,-y+1/2,z !-y+1/2,+x,+z !+y,-x+1/2,+z !-x+1/2,+y,-z !+x,-y+1/2,-z !+y,+x,-z !-y+1/2,-x+1/2,-z !-x,-y,-z !x+1/2,y+1/2,-z !y+1/2,-x,-z !-y,x+1/2,-z !x+1/2,-y,z !-x,y+1/2,z !-y,-x,z !y+1/2,x+1/2,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i)+0.5_DP outco(2,8,i)=-inco(1,i)+0.5_DP outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i)+0.5_DP outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i)+0.5_DP outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i)+0.5_DP outco(3,12,i)=-inco(3,i) !S=13 outco(1,13,i)=+inco(1,i)+0.5_DP outco(2,13,i)=-inco(2,i) outco(3,13,i)=+inco(3,i) !S=14 outco(1,14,i)=-inco(1,i) outco(2,14,i)=+inco(2,i)+0.5_DP outco(3,14,i)=+inco(3,i) !S=15 outco(1,15,i)=-inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=+inco(3,i) !S=16 outco(1,16,i)=+inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=+inco(3,i) END IF CASE (126) !P4/nnc IF (unique=='1') THEN !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x+1/2,-y+1/2,-z+1/2 !x+1/2,y+1/2,-z+1/2 !y+1/2,-x+1/2,-z+1/2 !-y+1/2,x+1/2,-z+1/2 !x+1/2,-y+1/2,z+1/2 !-x+1/2,y+1/2,z+1/2 !-y+1/2,-x+1/2,z+1/2 !y+1/2,x+1/2,z+1/2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i)+0.5_DP outco(2,9,i)=-inco(2,i)+0.5_DP outco(3,9,i)=-inco(3,i)+0.5_DP !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i)+0.5_DP outco(3,10,i)=-inco(3,i)+0.5_DP !S=11 outco(1,11,i)=+inco(2,i)+0.5_DP outco(2,11,i)=-inco(1,i)+0.5_DP outco(3,11,i)=-inco(3,i)+0.5_DP !S=12 outco(1,12,i)=-inco(2,i)+0.5_DP outco(2,12,i)=+inco(1,i)+0.5_DP outco(3,12,i)=-inco(3,i)+0.5_DP !S=13 outco(1,13,i)=+inco(1,i)+0.5_DP outco(2,13,i)=-inco(2,i)+0.5_DP outco(3,13,i)=+inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(1,i)+0.5_DP outco(2,14,i)=+inco(2,i)+0.5_DP outco(3,14,i)=+inco(3,i)+0.5_DP !S=15 outco(1,15,i)=-inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=+inco(3,i)+0.5_DP !S=16 outco(1,16,i)=+inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=+inco(3,i)+0.5_DP END IF IF (unique=='2') THEN !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i)+0.5_DP outco(2,8,i)=-inco(1,i)+0.5_DP outco(3,8,i)=-inco(3,i)+0.5_DP !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i)+0.5_DP outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i)+0.5_DP outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i)+0.5_DP outco(3,12,i)=-inco(3,i) !S=13 outco(1,13,i)=+inco(1,i)+0.5_DP outco(2,13,i)=-inco(2,i) outco(3,13,i)=+inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(1,i) outco(2,14,i)=+inco(2,i)+0.5_DP outco(3,14,i)=+inco(3,i)+0.5_DP !S=15 outco(1,15,i)=-inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=+inco(3,i)+0.5_DP !S=16 outco(1,16,i)=+inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=+inco(3,i)+0.5_DP END IF CASE (127) !P4/mbm !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i)+0.5_DP outco(2,7,i)=+inco(1,i)+0.5_DP outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i)+0.5_DP outco(2,8,i)=-inco(1,i)+0.5_DP outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i) outco(2,10,i)=+inco(2,i) outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i) outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i) outco(3,12,i)=-inco(3,i) !S=13 outco(1,13,i)=+inco(1,i)+0.5_DP outco(2,13,i)=-inco(2,i)+0.5_DP outco(3,13,i)=+inco(3,i) !S=14 outco(1,14,i)=-inco(1,i)+0.5_DP outco(2,14,i)=+inco(2,i)+0.5_DP outco(3,14,i)=+inco(3,i) !S=15 outco(1,15,i)=-inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=+inco(3,i) !S=16 outco(1,16,i)=+inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=+inco(3,i) CASE (128) !P4/mnc !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i)+0.5_DP outco(2,7,i)=+inco(1,i)+0.5_DP outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i)+0.5_DP outco(2,8,i)=-inco(1,i)+0.5_DP outco(3,8,i)=-inco(3,i)+0.5_DP !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i) outco(2,10,i)=+inco(2,i) outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i) outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i) outco(3,12,i)=-inco(3,i) !S=13 outco(1,13,i)=+inco(1,i)+0.5_DP outco(2,13,i)=-inco(2,i)+0.5_DP outco(3,13,i)=+inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(1,i)+0.5_DP outco(2,14,i)=+inco(2,i)+0.5_DP outco(3,14,i)=+inco(3,i)+0.5_DP !S=15 outco(1,15,i)=-inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=+inco(3,i)+0.5_DP !S=16 outco(1,16,i)=+inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=+inco(3,i)+0.5_DP CASE (129) IF (unique=='1') THEN !id !-x,-y,z !-y+1/2,+x+1/2,+z !+y+1/2,-x+1/2,+z !-x+1/2,+y+1/2,-z !+x+1/2,-y+1/2,-z !+y,+x,-z !-y,-x,-z !-x+1/2,-y+1/2,-z !x+1/2,y+1/2,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y+1/2,-x+1/2,z !y+1/2,x+1/2,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i)+0.5_DP outco(2,9,i)=-inco(2,i)+0.5_DP outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i)+0.5_DP outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i) outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i) outco(3,12,i)=-inco(3,i) !S=13 outco(1,13,i)=+inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=+inco(3,i) !S=14 outco(1,14,i)=-inco(1,i) outco(2,14,i)=+inco(2,i) outco(3,14,i)=+inco(3,i) !S=15 outco(1,15,i)=-inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=+inco(3,i) !S=16 outco(1,16,i)=+inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=+inco(3,i) END IF IF (unique=='2') THEN !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i)+0.5_DP outco(2,7,i)=+inco(1,i)+0.5_DP outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i)+0.5_DP outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i)+0.5_DP outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i)+0.5_DP outco(3,12,i)=-inco(3,i) !S=13 outco(1,13,i)=+inco(1,i) outco(2,13,i)=-inco(2,i)+0.5_DP outco(3,13,i)=+inco(3,i) !S=14 outco(1,14,i)=-inco(1,i)+0.5_DP outco(2,14,i)=+inco(2,i) outco(3,14,i)=+inco(3,i) !S=15 outco(1,15,i)=-inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=+inco(3,i) !S=16 outco(1,16,i)=+inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=+inco(3,i) END IF CASE (130) !P4/ncc IF (unique=='1') THEN !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i)+0.5_DP !S=9 outco(1,9,i)=-inco(1,i)+0.5_DP outco(2,9,i)=-inco(2,i)+0.5_DP outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i)+0.5_DP outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i) outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i) outco(3,12,i)=-inco(3,i) !S=13 outco(1,13,i)=+inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=+inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(1,i) outco(2,14,i)=+inco(2,i) outco(3,14,i)=+inco(3,i)+0.5_DP !S=15 outco(1,15,i)=-inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=+inco(3,i)+0.5_DP !S=16 outco(1,16,i)=+inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=+inco(3,i)+0.5_DP END IF IF (unique=='2') THEN !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i)+0.5_DP outco(2,7,i)=+inco(1,i)+0.5_DP outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i)+0.5_DP !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i)+0.5_DP outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i)+0.5_DP outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i)+0.5_DP outco(3,12,i)=-inco(3,i) !S=13 outco(1,13,i)=+inco(1,i) outco(2,13,i)=-inco(2,i)+0.5_DP outco(3,13,i)=+inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(1,i)+0.5_DP outco(2,14,i)=+inco(2,i) outco(3,14,i)=+inco(3,i)+0.5_DP !S=15 outco(1,15,i)=-inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=+inco(3,i)+0.5_DP !S=16 outco(1,16,i)=+inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=+inco(3,i)+0.5_DP END IF CASE (131) !P4(2)/mmc !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i)+0.5_DP !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i) outco(2,10,i)=+inco(2,i) outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i) outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i)+0.5_DP !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i) outco(3,12,i)=-inco(3,i)+0.5_DP !S=13 outco(1,13,i)=+inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=+inco(3,i) !S=14 outco(1,14,i)=-inco(1,i) outco(2,14,i)=+inco(2,i) outco(3,14,i)=+inco(3,i) !S=15 outco(1,15,i)=-inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=+inco(3,i)+0.5_DP !S=16 outco(1,16,i)=+inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=+inco(3,i)+0.5_DP CASE (132) !P4(2)mcm !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i) outco(2,10,i)=+inco(2,i) outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i) outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i)+0.5_DP !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i) outco(3,12,i)=-inco(3,i)+0.5_DP !S=13 outco(1,13,i)=+inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=+inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(1,i) outco(2,14,i)=+inco(2,i) outco(3,14,i)=+inco(3,i)+0.5_DP !S=15 outco(1,15,i)=-inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=+inco(3,i) !S=16 outco(1,16,i)=+inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=+inco(3,i) CASE (133) !P4(2)/nbc IF (unique=='1') THEN !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i)+0.5_DP outco(2,7,i)=+inco(1,i)+0.5_DP outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i)+0.5_DP outco(2,8,i)=-inco(1,i)+0.5_DP outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i)+0.5_DP outco(2,9,i)=-inco(2,i)+0.5_DP outco(3,9,i)=-inco(3,i)+0.5_DP !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i)+0.5_DP outco(3,10,i)=-inco(3,i)+0.5_DP !S=11 outco(1,11,i)=+inco(2,i) outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i) outco(3,12,i)=-inco(3,i) !S=13 outco(1,13,i)=+inco(1,i)+0.5_DP outco(2,13,i)=-inco(2,i)+0.5_DP outco(3,13,i)=+inco(3,i) !S=14 outco(1,14,i)=-inco(1,i)+0.5_DP outco(2,14,i)=+inco(2,i)+0.5_DP outco(3,14,i)=+inco(3,i) !S=15 outco(1,15,i)=-inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=+inco(3,i)+0.5_DP !S=16 outco(1,16,i)=+inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=+inco(3,i)+0.5_DP END IF IF (unique=='2') THEN !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i)+0.5_DP outco(2,8,i)=-inco(1,i)+0.5_DP outco(3,8,i)=-inco(3,i)+0.5_DP !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i)+0.5_DP outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i)+0.5_DP outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i)+0.5_DP !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i)+0.5_DP outco(3,12,i)=-inco(3,i)+0.5_DP !S=13 outco(1,13,i)=+inco(1,i)+0.5_DP outco(2,13,i)=-inco(2,i) outco(3,13,i)=+inco(3,i) !S=14 outco(1,14,i)=-inco(1,i) outco(2,14,i)=+inco(2,i)+0.5_DP outco(3,14,i)=+inco(3,i) !S=15 outco(1,15,i)=-inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=+inco(3,i)+0.5_DP !S=16 outco(1,16,i)=+inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=+inco(3,i)+0.5_DP END IF CASE (134) !P4(2)/nnm IF (unique=='1') THEN !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i)+0.5_DP outco(2,7,i)=+inco(1,i)+0.5_DP outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i)+0.5_DP outco(2,8,i)=-inco(1,i)+0.5_DP outco(3,8,i)=-inco(3,i)+0.5_DP !S=9 outco(1,9,i)=-inco(1,i)+0.5_DP outco(2,9,i)=-inco(2,i)+0.5_DP outco(3,9,i)=-inco(3,i)+0.5_DP !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i)+0.5_DP outco(3,10,i)=-inco(3,i)+0.5_DP !S=11 outco(1,11,i)=+inco(2,i) outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i) outco(3,12,i)=-inco(3,i) !S=13 outco(1,13,i)=+inco(1,i)+0.5_DP outco(2,13,i)=-inco(2,i)+0.5_DP outco(3,13,i)=+inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(1,i)+0.5_DP outco(2,14,i)=+inco(2,i)+0.5_DP outco(3,14,i)=+inco(3,i)+0.5_DP !S=15 outco(1,15,i)=-inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=+inco(3,i) !S=16 outco(1,16,i)=+inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=+inco(3,i) END IF IF (unique=='2') THEN !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i)+0.5_DP outco(2,8,i)=-inco(1,i)+0.5_DP outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i)+0.5_DP outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i)+0.5_DP outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i)+0.5_DP !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i)+0.5_DP outco(3,12,i)=-inco(3,i)+0.5_DP !S=13 outco(1,13,i)=+inco(1,i)+0.5_DP outco(2,13,i)=-inco(2,i) outco(3,13,i)=+inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(1,i) outco(2,14,i)=+inco(2,i)+0.5_DP outco(3,14,i)=+inco(3,i)+0.5_DP !S=15 outco(1,15,i)=-inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=+inco(3,i) !S=16 outco(1,16,i)=+inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=+inco(3,i) END IF CASE (135) !P4(2)/mbc !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i)+0.5_DP outco(2,7,i)=+inco(1,i)+0.5_DP outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i)+0.5_DP outco(2,8,i)=-inco(1,i)+0.5_DP outco(3,8,i)=-inco(3,i)+0.5_DP !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i) outco(2,10,i)=+inco(2,i) outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i) outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i)+0.5_DP !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i) outco(3,12,i)=-inco(3,i)+0.5_DP !S=13 outco(1,13,i)=+inco(1,i)+0.5_DP outco(2,13,i)=-inco(2,i)+0.5_DP outco(3,13,i)=+inco(3,i) !S=14 outco(1,14,i)=-inco(1,i)+0.5_DP outco(2,14,i)=+inco(2,i)+0.5_DP outco(3,14,i)=+inco(3,i) !S=15 outco(1,15,i)=-inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=+inco(3,i)+0.5_DP !S=16 outco(1,16,i)=+inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=+inco(3,i)+0.5_DP CASE (136) !P4(2)mnm !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i) outco(2,10,i)=+inco(2,i) outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i)+0.5_DP outco(2,11,i)=-inco(1,i)+0.5_DP outco(3,11,i)=-inco(3,i)+0.5_DP !S=12 outco(1,12,i)=-inco(2,i)+0.5_DP outco(2,12,i)=+inco(1,i)+0.5_DP outco(3,12,i)=-inco(3,i)+0.5_DP !S=13 outco(1,13,i)=+inco(1,i)+0.5_DP outco(2,13,i)=-inco(2,i)+0.5_DP outco(3,13,i)=+inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(1,i)+0.5_DP outco(2,14,i)=+inco(2,i)+0.5_DP outco(3,14,i)=+inco(3,i)+0.5_DP !S=15 outco(1,15,i)=-inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=+inco(3,i) !S=16 outco(1,16,i)=+inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=+inco(3,i) CASE (137) !P4(2)/nmc IF (unique=='1') THEN !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i)+0.5_DP outco(2,9,i)=-inco(2,i)+0.5_DP outco(3,9,i)=-inco(3,i)+0.5_DP !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i)+0.5_DP outco(3,10,i)=-inco(3,i)+0.5_DP !S=11 outco(1,11,i)=+inco(2,i) outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i) outco(3,12,i)=-inco(3,i) !S=13 outco(1,13,i)=+inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=+inco(3,i) !S=14 outco(1,14,i)=-inco(1,i) outco(2,14,i)=+inco(2,i) outco(3,14,i)=+inco(3,i) !S=15 outco(1,15,i)=-inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=+inco(3,i)+0.5_DP !S=16 outco(1,16,i)=+inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=+inco(3,i)+0.5_DP END IF IF (unique=='2') THEN !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i)+0.5_DP outco(2,7,i)=+inco(1,i)+0.5_DP outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i)+0.5_DP !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i)+0.5_DP outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i)+0.5_DP outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i)+0.5_DP !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i)+0.5_DP outco(3,12,i)=-inco(3,i)+0.5_DP !S=13 outco(1,13,i)=+inco(1,i) outco(2,13,i)=-inco(2,i)+0.5_DP outco(3,13,i)=+inco(3,i) !S=14 outco(1,14,i)=-inco(1,i)+0.5_DP outco(2,14,i)=+inco(2,i) outco(3,14,i)=+inco(3,i) !S=15 outco(1,15,i)=-inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=+inco(3,i)+0.5_DP !S=16 outco(1,16,i)=+inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=+inco(3,i)+0.5_DP END IF CASE (138) !P4(2)/ncm IF (unique=='1') THEN !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i)+0.5_DP !S=9 outco(1,9,i)=-inco(1,i)+0.5_DP outco(2,9,i)=-inco(2,i)+0.5_DP outco(3,9,i)=-inco(3,i)+0.5_DP !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i)+0.5_DP outco(3,10,i)=-inco(3,i)+0.5_DP !S=11 outco(1,11,i)=+inco(2,i) outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i) outco(3,12,i)=-inco(3,i) !S=13 outco(1,13,i)=+inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=+inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(1,i) outco(2,14,i)=+inco(2,i) outco(3,14,i)=+inco(3,i)+0.5_DP !S=15 outco(1,15,i)=-inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=+inco(3,i) !S=16 outco(1,16,i)=+inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=+inco(3,i) END IF IF (unique=='2') THEN !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i)+0.5_DP outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i)+0.5_DP !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i)+0.5_DP outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i)+0.5_DP outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i)+0.5_DP outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i)+0.5_DP outco(2,7,i)=+inco(1,i)+0.5_DP outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i)+0.5_DP outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i)+0.5_DP outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i)+0.5_DP !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i)+0.5_DP outco(3,12,i)=-inco(3,i)+0.5_DP !S=13 outco(1,13,i)=+inco(1,i) outco(2,13,i)=-inco(2,i)+0.5_DP outco(3,13,i)=+inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(1,i)+0.5_DP outco(2,14,i)=+inco(2,i) outco(3,14,i)=+inco(3,i)+0.5_DP !S=15 outco(1,15,i)=-inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=+inco(3,i) !S=16 outco(1,16,i)=+inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=+inco(3,i) END IF CASE (139) !I4/mmm !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i) outco(2,10,i)=+inco(2,i) outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i) outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i) outco(3,12,i)=-inco(3,i) !S=13 outco(1,13,i)=+inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=+inco(3,i) !S=14 outco(1,14,i)=-inco(1,i) outco(2,14,i)=+inco(2,i) outco(3,14,i)=+inco(3,i) !S=15 outco(1,15,i)=-inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=+inco(3,i) !S=16 outco(1,16,i)=+inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=+inco(3,i) CASE (140) !I4/mcm !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i)+0.5_DP !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i) outco(2,10,i)=+inco(2,i) outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=+inco(2,i) outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=+inco(1,i) outco(3,12,i)=-inco(3,i) !S=13 outco(1,13,i)=+inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=+inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(1,i) outco(2,14,i)=+inco(2,i) outco(3,14,i)=+inco(3,i)+0.5_DP !S=15 outco(1,15,i)=-inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=+inco(3,i)+0.5_DP !S=16 outco(1,16,i)=+inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=+inco(3,i)+0.5_DP CASE (141) !I4(1)amd IF (unique=='1') THEN !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.25_DP !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.75_DP !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i)+0.75_DP !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i)+0.25_DP !S=7 outco(1,7,i)=+inco(2,i)+0.5_DP outco(2,7,i)=+inco(1,i)+0.5_DP outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i)+0.5_DP outco(3,9,i)=-inco(3,i)+0.25_DP !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i) outco(3,10,i)=-inco(3,i)+0.75_DP !S=11 outco(1,11,i)=+inco(2,i) outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(2,i)+0.5_DP outco(2,12,i)=+inco(1,i)+0.5_DP outco(3,12,i)=-inco(3,i)+0.5_DP !S=13 outco(1,13,i)=+inco(1,i)+0.5_DP outco(2,13,i)=-inco(2,i)+0.5_DP outco(3,13,i)=+inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(1,i) outco(2,14,i)=+inco(2,i) outco(3,14,i)=+inco(3,i) !S=15 outco(1,15,i)=-inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i) outco(3,15,i)=+inco(3,i)+0.75_DP !S=16 outco(1,16,i)=+inco(2,i) outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=+inco(3,i)+0.25_DP END IF IF (unique=='2') THEN !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(2,i)+0.25_DP outco(2,3,i)=+inco(1,i)+0.75_DP outco(3,3,i)=+inco(3,i)+0.25_DP !S=4 outco(1,4,i)=+inco(2,i)+0.25_DP outco(2,4,i)=-inco(1,i)+0.25_DP outco(3,4,i)=+inco(3,i)+0.75_DP !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i)+0.25_DP outco(2,7,i)=+inco(1,i)+0.75_DP outco(3,7,i)=-inco(3,i)+0.25_DP !S=8 outco(1,8,i)=-inco(2,i)+0.25_DP outco(2,8,i)=-inco(1,i)+0.25_DP outco(3,8,i)=-inco(3,i)+0.75_DP !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i) outco(3,10,i)=-inco(3,i)+0.5_DP !S=11 outco(1,11,i)=+inco(2,i)+0.75_DP outco(2,11,i)=-inco(1,i)+0.25_DP outco(3,11,i)=-inco(3,i)+0.75_DP !S=12 outco(1,12,i)=-inco(2,i)+0.75_DP outco(2,12,i)=+inco(1,i)+0.75_DP outco(3,12,i)=-inco(3,i)+0.25_DP !S=13 outco(1,13,i)=+inco(1,i)+0.5_DP outco(2,13,i)=-inco(2,i) outco(3,13,i)=+inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(1,i) outco(2,14,i)=+inco(2,i) outco(3,14,i)=+inco(3,i) !S=15 outco(1,15,i)=-inco(2,i)+0.75_DP outco(2,15,i)=-inco(1,i)+0.25_DP outco(3,15,i)=+inco(3,i)+0.75_DP !S=16 outco(1,16,i)=+inco(2,i)+0.75_DP outco(2,16,i)=+inco(1,i)+0.75_DP outco(3,16,i)=+inco(3,i)+0.25_DP END IF CASE (142) !I4(1)/acd IF (unique=='1') THEN !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(2,i) outco(2,3,i)=+inco(1,i)+0.5_DP outco(3,3,i)=+inco(3,i)+0.25_DP !S=4 outco(1,4,i)=+inco(2,i)+0.5_DP outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.75_DP !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i)+0.25_DP !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i)+0.5_DP outco(3,6,i)=-inco(3,i)+0.75_DP !S=7 outco(1,7,i)=+inco(2,i)+0.5_DP outco(2,7,i)=+inco(1,i)+0.5_DP outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(2,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(3,i)+0.5_DP !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i)+0.5_DP outco(3,9,i)=-inco(3,i)+0.25_DP !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i) outco(3,10,i)=-inco(3,i)+0.75_DP !S=11 outco(1,11,i)=+inco(2,i) outco(2,11,i)=-inco(1,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(2,i)+0.5_DP outco(2,12,i)=+inco(1,i)+0.5_DP outco(3,12,i)=-inco(3,i)+0.5_DP !S=13 outco(1,13,i)=+inco(1,i)+0.5_DP outco(2,13,i)=-inco(2,i)+0.5_DP outco(3,13,i)=+inco(3,i) !S=14 outco(1,14,i)=-inco(1,i) outco(2,14,i)=+inco(2,i) outco(3,14,i)=+inco(3,i)+0.5_DP !S=15 outco(1,15,i)=-inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i) outco(3,15,i)=+inco(3,i)+0.25_DP !S=16 outco(1,16,i)=+inco(2,i) outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=+inco(3,i)+0.75_DP END IF IF (unique=='2') THEN !id !-x,-y,z !-y,+x,+z !+y,-x,+z !-x,+y,-z !+x,-y,-z !+y,+x,-z !-y,-x,-z !-x,-y,-z !x,y,-z !y,-x,-z !-y,x,-z !x,-y,z !-x,y,z !-y,-x,z !y,x,z DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=+inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(2,i)+0.25_DP outco(2,3,i)=+inco(1,i)+0.75_DP outco(3,3,i)=+inco(3,i)+0.25_DP !S=4 outco(1,4,i)=+inco(2,i)+0.25_DP outco(2,4,i)=-inco(1,i)+0.25_DP outco(3,4,i)=+inco(3,i)+0.75_DP !S=5 outco(1,5,i)=-inco(1,i)+0.5_DP outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=-inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i)+0.25_DP outco(2,7,i)=+inco(1,i)+0.75_DP outco(3,7,i)=-inco(3,i)+0.75_DP !S=8 outco(1,8,i)=-inco(2,i)+0.25_DP outco(2,8,i)=-inco(1,i)+0.25_DP outco(3,8,i)=-inco(3,i)+0.25_DP !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i)+0.5_DP outco(2,10,i)=+inco(2,i) outco(3,10,i)=-inco(3,i)+0.5_DP !S=11 outco(1,11,i)=+inco(2,i)+0.75_DP outco(2,11,i)=-inco(1,i)+0.25_DP outco(3,11,i)=-inco(3,i)+0.75_DP !S=12 outco(1,12,i)=-inco(2,i)+0.75_DP outco(2,12,i)=+inco(1,i)+0.75_DP outco(3,12,i)=-inco(3,i)+0.25_DP !S=13 outco(1,13,i)=+inco(1,i)+0.5_DP outco(2,13,i)=-inco(2,i) outco(3,13,i)=+inco(3,i) !S=14 outco(1,14,i)=-inco(1,i) outco(2,14,i)=+inco(2,i) outco(3,14,i)=+inco(3,i)+0.5_DP !S=15 outco(1,15,i)=-inco(2,i)+0.75_DP outco(2,15,i)=-inco(1,i)+0.25_DP outco(3,15,i)=+inco(3,i)+0.25_DP !S=16 outco(1,16,i)=+inco(2,i)+0.75_DP outco(2,16,i)=+inco(1,i)+0.75_DP outco(3,16,i)=+inco(3,i)+0.75_DP END IF !***************************************** !Trigonal 143-167 CASE (143) !P3 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) CASE (144) !P3(1) DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i)+unterz !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i)+duterz CASE (145) !P3(2) DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i)+duterz !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i)+unterz CASE (146) !R3 IF (unique=='1') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=inco(3,i) outco(2,2,i)=inco(1,i) outco(3,2,i)=+inco(2,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=inco(3,i) outco(3,3,i)=+inco(1,i) END IF IF (unique=='2') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) END IF CASE (147) !P-3 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=-inco(3,i) CASE (148) !R-3 IF (unique=='1') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=inco(3,i) outco(2,2,i)=inco(1,i) outco(3,2,i)=+inco(2,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=inco(3,i) outco(3,3,i)=+inco(1,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(3,i) outco(2,5,i)=-inco(1,i) outco(3,5,i)=-inco(2,i) !S=6 outco(1,6,i)=-inco(2,i) outco(2,6,i)=-inco(3,i) outco(3,6,i)=-inco(1,i) END IF IF (unique=='2') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=-inco(3,i) END IF CASE (149) !P312 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i)+inco(2,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(1,i)-inco(2,i) outco(3,6,i)=-inco(3,i) CASE (150) !P321 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(2,i)+inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=-inco(1,i)+inco(2,i) outco(3,6,i)=-inco(3,i) CASE (151) !P3(1)12 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i)+unterz !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i)+duterz !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=-inco(3,i)+duterz !S=5 outco(1,5,i)=-inco(1,i)+inco(2,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i)+unterz !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(1,i)-inco(2,i) outco(3,6,i)=-inco(3,i) CASE (152) !P3(1)21 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i)+unterz !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i)+duterz !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(2,i)+inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i)+duterz !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=-inco(1,i)+inco(2,i) outco(3,6,i)=-inco(3,i)+unterz CASE (153) !P3(2)12 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i)+duterz !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i)+unterz !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=-inco(3,i)+unterz !S=5 outco(1,5,i)=-inco(1,i)+inco(2,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i)+duterz !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(1,i)-inco(2,i) outco(3,6,i)=-inco(3,i) CASE (154) !P3(2)21 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i)+duterz !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i)+unterz !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(2,i)+inco(1,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i)+unterz !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=-inco(1,i)+inco(2,i) outco(3,6,i)=-inco(3,i)+duterz CASE (155) !R32 IF (unique=='1') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=inco(3,i) outco(2,2,i)=inco(1,i) outco(3,2,i)=inco(2,i) !S=3 outco(1,3,i)=inco(2,i) outco(2,3,i)=inco(3,i) outco(3,3,i)=inco(1,i) !S=4 outco(1,4,i)=-inco(3,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(1,i) !S=5 outco(1,5,i)=-inco(2,i) outco(2,5,i)=-inco(1,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=-inco(3,i) outco(3,6,i)=-inco(2,i) END IF IF (unique=='2') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(1,i)-inco(2,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=-inco(1,i)+inco(2,i) outco(3,6,i)=-inco(3,i) END IF CASE (156) !P3m1 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !s=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=+inco(2,i)-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=+inco(3,i) !S=6 outco(1,6,i)=inco(1,i) outco(2,6,i)=inco(1,i)-inco(2,i) outco(3,6,i)=+inco(3,i) CASE (157) !P31m DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=+inco(1,i)-inco(2,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=+inco(3,i) !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=-inco(1,i)+inco(2,i) outco(3,6,i)=+inco(3,i) CASE (158) !P3c1 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !s=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=+inco(2,i)-inco(1,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=+inco(3,i)+0.5_DP !S=6 outco(1,6,i)=inco(1,i) outco(2,6,i)=inco(1,i)-inco(2,i) outco(3,6,i)=+inco(3,i)+0.5_DP CASE (159) !P31c DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=+inco(1,i)-inco(2,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=+inco(3,i)+0.5_DP !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=-inco(1,i)+inco(2,i) outco(3,6,i)=+inco(3,i)+0.5_DP CASE (160) !R3m IF (unique=='1') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=inco(3,i) outco(2,2,i)=inco(1,i) outco(3,2,i)=inco(2,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=+inco(3,i) outco(3,3,i)=+inco(1,i) !S=4 outco(1,4,i)=inco(3,i) outco(2,4,i)=inco(2,i) outco(3,4,i)=inco(1,i) !S=5 outco(1,5,i)=inco(2,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(3,i) !S=6 outco(1,6,i)=inco(1,i) outco(2,6,i)=inco(3,i) outco(3,6,i)=inco(2,i) END IF IF (unique=='2') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=-inco(1,i)+inco(2,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=+inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(1,i)-inco(2,i) outco(3,6,i)=+inco(3,i) END IF CASE (161) !R3c IF (unique=='1') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=inco(3,i) outco(2,2,i)=inco(1,i) outco(3,2,i)=inco(2,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=+inco(3,i) outco(3,3,i)=+inco(1,i) !S=4 outco(1,4,i)=inco(3,i)+0.5_DP outco(2,4,i)=inco(2,i)+0.5_DP outco(3,4,i)=inco(1,i)+0.5_DP !S=5 outco(1,5,i)=inco(2,i)+0.5_DP outco(2,5,i)=inco(1,i)+0.5_DP outco(3,5,i)=inco(3,i)+0.5_DP !S=6 outco(1,6,i)=inco(1,i)+0.5_DP outco(2,6,i)=inco(3,i)+0.5_DP outco(3,6,i)=inco(2,i)+0.5_DP END IF IF (unique=='2') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i)+inco(2,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=+inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(1,i)-inco(2,i) outco(3,6,i)=+inco(3,i)+0.5_DP END IF CASE (162) !P-31m DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(1,i)+inco(2,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(1,i)-inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=-inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=inco(2,i) outco(2,8,i)=-inco(1,i)+inco(2,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=inco(1,i)-inco(2,i) outco(2,9,i)=inco(1,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(2,i) outco(2,10,i)=+inco(1,i) outco(3,10,i)=+inco(3,i) !S=11 outco(1,11,i)=inco(1,i)-inco(2,i) outco(2,11,i)=-inco(2,i) outco(3,11,i)=+inco(3,i) !S=12 outco(1,12,i)=-inco(1,i) outco(2,12,i)=-inco(1,i)+inco(2,i) outco(3,12,i)=+inco(3,i) CASE (163) !P-31c DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(2,i) outco(2,4,i)=-inco(1,i) outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(1,i)+inco(2,i) outco(2,5,i)=+inco(2,i) outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i) outco(2,6,i)=+inco(1,i)-inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=-inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=inco(2,i) outco(2,8,i)=-inco(1,i)+inco(2,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=inco(1,i)-inco(2,i) outco(2,9,i)=inco(1,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(2,i) outco(2,10,i)=+inco(1,i) outco(3,10,i)=+inco(3,i)+0.5_DP !S=11 outco(1,11,i)=inco(1,i)-inco(2,i) outco(2,11,i)=-inco(2,i) outco(3,11,i)=+inco(3,i)+0.5_DP !S=12 outco(1,12,i)=-inco(1,i) outco(2,12,i)=-inco(1,i)+inco(2,i) outco(3,12,i)=+inco(3,i)+0.5_DP CASE (164) !P-3m1 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=+inco(1,i)-inco(2,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=-inco(1,i)+inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=-inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=inco(2,i) outco(2,8,i)=-inco(1,i)+inco(2,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=inco(1,i)-inco(2,i) outco(2,9,i)=inco(1,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=-inco(1,i) outco(3,10,i)=+inco(3,i) !S=11 outco(1,11,i)=-inco(1,i)+inco(2,i) outco(2,11,i)=+inco(2,i) outco(3,11,i)=+inco(3,i) !S=12 outco(1,12,i)=+inco(1,i) outco(2,12,i)=+inco(1,i)-inco(2,i) outco(3,12,i)=+inco(3,i) CASE (165) !P-3c1 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=+inco(1,i)-inco(2,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=-inco(1,i)+inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=-inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=inco(2,i) outco(2,8,i)=-inco(1,i)+inco(2,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=inco(1,i)-inco(2,i) outco(2,9,i)=inco(1,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=-inco(1,i) outco(3,10,i)=+inco(3,i)+0.5_DP !S=11 outco(1,11,i)=-inco(1,i)+inco(2,i) outco(2,11,i)=+inco(2,i) outco(3,11,i)=+inco(3,i)+0.5_DP !S=12 outco(1,12,i)=+inco(1,i) outco(2,12,i)=+inco(1,i)-inco(2,i) outco(3,12,i)=+inco(3,i)+0.5_DP CASE (166) !R-3m IF (unique=='1') THEN !Rhombohedral DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=inco(3,i) outco(2,2,i)=inco(1,i) outco(3,2,i)=inco(2,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=+inco(3,i) outco(3,3,i)=+inco(1,i) !S=4 outco(1,4,i)=-inco(3,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(1,i) !S=5 outco(1,5,i)=-inco(2,i) outco(2,5,i)=-inco(1,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=-inco(3,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=-inco(2,i) outco(2,9,i)=-inco(3,i) outco(3,9,i)=-inco(1,i) !S=10 outco(1,10,i)=inco(3,i) outco(2,10,i)=inco(2,i) outco(3,10,i)=inco(1,i) !S=11 outco(1,11,i)=+inco(2,i) outco(2,11,i)=+inco(1,i) outco(3,11,i)=+inco(3,i) !S=12 outco(1,12,i)=+inco(1,i) outco(2,12,i)=+inco(3,i) outco(3,12,i)=+inco(2,i) END IF IF (unique=='2') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=+inco(1,i)-inco(2,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=-inco(1,i)+inco(2,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=-inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=inco(2,i) outco(2,8,i)=-inco(1,i)+inco(2,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=inco(1,i)-inco(2,i) outco(2,9,i)=inco(1,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=-inco(1,i) outco(3,10,i)=+inco(3,i) !S=11 outco(1,11,i)=-inco(1,i)+inco(2,i) outco(2,11,i)=+inco(2,i) outco(3,11,i)=+inco(3,i) !S=12 outco(1,12,i)=+inco(1,i) outco(2,12,i)=+inco(1,i)-inco(2,i) outco(3,12,i)=+inco(3,i) END IF CASE (167) !R-3c IF (unique=='1') THEN !Rhombohedral DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=inco(3,i) outco(2,2,i)=inco(1,i) outco(3,2,i)=inco(2,i) !S=3 outco(1,3,i)=+inco(2,i) outco(2,3,i)=+inco(3,i) outco(3,3,i)=+inco(1,i) !S=4 outco(1,4,i)=-inco(3,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(1,i)+0.5_DP !S=5 outco(1,5,i)=-inco(2,i)+0.5_DP outco(2,5,i)=-inco(1,i)+0.5_DP outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=-inco(1,i)+0.5_DP outco(2,6,i)=-inco(3,i)+0.5_DP outco(3,6,i)=-inco(2,i)+0.5_DP !S=7 outco(1,7,i)=-inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=-inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=-inco(2,i) outco(2,9,i)=-inco(3,i) outco(3,9,i)=-inco(1,i) !S=10 outco(1,10,i)=inco(3,i)+0.5_DP outco(2,10,i)=inco(2,i)+0.5_DP outco(3,10,i)=inco(1,i)+0.5_DP !S=11 outco(1,11,i)=+inco(2,i)+0.5_DP outco(2,11,i)=+inco(1,i)+0.5_DP outco(3,11,i)=+inco(3,i)+0.5_DP !S=12 outco(1,12,i)=+inco(1,i)+0.5_DP outco(2,12,i)=+inco(3,i)+0.5_DP outco(3,12,i)=+inco(2,i)+0.5_DP END IF IF (unique=='2') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(2,i) outco(2,4,i)=+inco(1,i) outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=+inco(1,i)-inco(2,i) outco(2,5,i)=-inco(2,i) outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=-inco(1,i) outco(2,6,i)=-inco(1,i)+inco(2,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=-inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=inco(2,i) outco(2,8,i)=-inco(1,i)+inco(2,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=inco(1,i)-inco(2,i) outco(2,9,i)=inco(1,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=-inco(1,i) outco(3,10,i)=+inco(3,i)+0.5_DP !S=11 outco(1,11,i)=-inco(1,i)+inco(2,i) outco(2,11,i)=+inco(2,i) outco(3,11,i)=+inco(3,i)+0.5_DP !S=12 outco(1,12,i)=+inco(1,i) outco(2,12,i)=+inco(1,i)-inco(2,i) outco(3,12,i)=+inco(3,i)+0.5_DP END IF !***************************************** !Exagonal 168-194 CASE (168) !P6 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=inco(3,i) !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=inco(3,i) !S=6 outco(1,6,i)=inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=inco(3,i) CASE (169) !P6(1) DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i)+unterz !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i)+duterz !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=inco(3,i)+0.5_DP !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=inco(3,i)+cisest !S=6 outco(1,6,i)=inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=inco(3,i)+unsest CASE (170) !P6(5) DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i)+duterz !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i)+unterz !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=inco(3,i)+0.5_DP !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=inco(3,i)+unsest !S=6 outco(1,6,i)=inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=inco(3,i)+cisest CASE (171) !P6(2) DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i)+duterz !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i)+unterz !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=inco(3,i) !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=inco(3,i)+duterz !S=6 outco(1,6,i)=inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=inco(3,i)+unterz CASE (172) !P6(4) DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i)+unterz !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i)+duterz !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=inco(3,i) !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=inco(3,i)+unterz !S=6 outco(1,6,i)=inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=inco(3,i)+duterz CASE (173) !P6(3) DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=inco(3,i)+0.5_DP !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=inco(3,i)+0.5_DP !S=6 outco(1,6,i)=inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=inco(3,i)+0.5_DP CASE (174) !P-6 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=+inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(2,i) outco(2,5,i)=+inco(1,i)-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=-inco(1,i)+inco(2,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(3,i) CASE (175) !P6/m DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=inco(3,i) !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=inco(3,i) !S=6 outco(1,6,i)=inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=inco(3,i) !S=7 outco(1,7,i)=-inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=+inco(2,i) outco(2,8,i)=-inco(1,i)+inco(2,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=inco(1,i)-inco(2,i) outco(2,9,i)=inco(1,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i) outco(2,10,i)=+inco(2,i) outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=-inco(2,i) outco(2,11,i)=+inco(1,i)-inco(2,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=-inco(1,i)+inco(2,i) outco(2,12,i)=-inco(1,i) outco(3,12,i)=-inco(3,i) CASE (176) !P6(3)/m DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=inco(3,i)+0.5_DP !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=inco(3,i)+0.5_DP !S=6 outco(1,6,i)=inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=inco(3,i)+0.5_DP !S=7 outco(1,7,i)=-inco(1,i) outco(2,7,i)=-inco(2,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=+inco(2,i) outco(2,8,i)=-inco(1,i)+inco(2,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=inco(1,i)-inco(2,i) outco(2,9,i)=inco(1,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=+inco(1,i) outco(2,10,i)=+inco(2,i) outco(3,10,i)=-inco(3,i)+0.5_DP !S=11 outco(1,11,i)=-inco(2,i) outco(2,11,i)=+inco(1,i)-inco(2,i) outco(3,11,i)=-inco(3,i)+0.5_DP !S=12 outco(1,12,i)=-inco(1,i)+inco(2,i) outco(2,12,i)=-inco(1,i) outco(3,12,i)=-inco(3,i)+0.5_DP CASE (177) !P622 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=inco(3,i) !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=inco(3,i) !S=6 outco(1,6,i)=inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=inco(3,i) !S=7 outco(1,7,i)=inco(2,i) outco(2,7,i)=inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=inco(1,i)-inco(2,i) outco(2,8,i)=-inco(2,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(1,i)+inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=-inco(1,i) outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=-inco(1,i)+inco(2,i) outco(2,11,i)=+inco(2,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=+inco(1,i) outco(2,12,i)=+inco(1,i)-inco(2,i) outco(3,12,i)=-inco(3,i) CASE (178) !P(1)22 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i)+unterz !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i)+duterz !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=inco(3,i)+0.5_DP !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=inco(3,i)+cisest !S=6 outco(1,6,i)=inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=inco(3,i)+unsest !S=7 outco(1,7,i)=inco(2,i) outco(2,7,i)=inco(1,i) outco(3,7,i)=-inco(3,i)+unterz !S=8 outco(1,8,i)=inco(1,i)-inco(2,i) outco(2,8,i)=-inco(2,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(1,i)+inco(2,i) outco(3,9,i)=-inco(3,i)+duterz !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=-inco(1,i) outco(3,10,i)=-inco(3,i)+cisest !S=11 outco(1,11,i)=-inco(1,i)+inco(2,i) outco(2,11,i)=+inco(2,i) outco(3,11,i)=-inco(3,i)+0.5_DP !S=12 outco(1,12,i)=+inco(1,i) outco(2,12,i)=+inco(1,i)-inco(2,i) outco(3,12,i)=-inco(3,i)+unsest CASE (179) !P6(5)22 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i)+duterz !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i)+unterz !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=inco(3,i)+0.5_DP !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=inco(3,i)+unsest !S=6 outco(1,6,i)=inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=inco(3,i)+cisest !S=7 outco(1,7,i)=inco(2,i) outco(2,7,i)=inco(1,i) outco(3,7,i)=-inco(3,i)+duterz !S=8 outco(1,8,i)=inco(1,i)-inco(2,i) outco(2,8,i)=-inco(2,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(1,i)+inco(2,i) outco(3,9,i)=-inco(3,i)+unterz !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=-inco(1,i) outco(3,10,i)=-inco(3,i)+unsest !S=11 outco(1,11,i)=-inco(1,i)+inco(2,i) outco(2,11,i)=+inco(2,i) outco(3,11,i)=-inco(3,i)+0.5_DP !S=12 outco(1,12,i)=+inco(1,i) outco(2,12,i)=+inco(1,i)-inco(2,i) outco(3,12,i)=-inco(3,i)+cisest CASE (180) !P6(2)22 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i)+duterz !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i)+unterz !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=inco(3,i) !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=inco(3,i)+duterz !S=6 outco(1,6,i)=inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=inco(3,i)+unterz !S=7 outco(1,7,i)=inco(2,i) outco(2,7,i)=inco(1,i) outco(3,7,i)=-inco(3,i)+duterz !S=8 outco(1,8,i)=inco(1,i)-inco(2,i) outco(2,8,i)=-inco(2,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(1,i)+inco(2,i) outco(3,9,i)=-inco(3,i)+unterz !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=-inco(1,i) outco(3,10,i)=-inco(3,i)+duterz !S=11 outco(1,11,i)=-inco(1,i)+inco(2,i) outco(2,11,i)=+inco(2,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=+inco(1,i) outco(2,12,i)=+inco(1,i)-inco(2,i) outco(3,12,i)=-inco(3,i)+unterz CASE (181) !P6(4)22 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i)+unterz !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i)+duterz !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=inco(3,i) !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=inco(3,i)+unterz !S=6 outco(1,6,i)=inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=inco(3,i)+duterz !S=7 outco(1,7,i)=inco(2,i) outco(2,7,i)=inco(1,i) outco(3,7,i)=-inco(3,i)+unterz !S=8 outco(1,8,i)=inco(1,i)-inco(2,i) outco(2,8,i)=-inco(2,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(1,i)+inco(2,i) outco(3,9,i)=-inco(3,i)+duterz !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=-inco(1,i) outco(3,10,i)=-inco(3,i)+unterz !S=11 outco(1,11,i)=-inco(1,i)+inco(2,i) outco(2,11,i)=+inco(2,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=+inco(1,i) outco(2,12,i)=+inco(1,i)-inco(2,i) outco(3,12,i)=-inco(3,i)+duterz CASE (182) !6(3)22 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=inco(3,i)+0.5_DP !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=inco(3,i)+0.5_DP !S=6 outco(1,6,i)=inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=inco(3,i)+0.5_DP !S=7 outco(1,7,i)=inco(2,i) outco(2,7,i)=inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=inco(1,i)-inco(2,i) outco(2,8,i)=-inco(2,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(1,i)+inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=-inco(1,i) outco(3,10,i)=-inco(3,i)+0.5_DP !S=11 outco(1,11,i)=-inco(1,i)+inco(2,i) outco(2,11,i)=+inco(2,i) outco(3,11,i)=-inco(3,i)+0.5_DP !S=12 outco(1,12,i)=+inco(1,i) outco(2,12,i)=+inco(1,i)-inco(2,i) outco(3,12,i)=-inco(3,i)+0.5_DP CASE (183) !P6mm DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=inco(3,i) !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=inco(3,i) !S=6 outco(1,6,i)=inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=inco(3,i) !S=7 outco(1,7,i)=-inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=-inco(1,i)+inco(2,i) outco(2,8,i)=inco(2,i) outco(3,8,i)=inco(3,i) !S=9 outco(1,9,i)=inco(1,i) outco(2,9,i)=inco(1,i)-inco(2,i) outco(3,9,i)=inco(3,i) !S=10 outco(1,10,i)=inco(2,i) outco(2,10,i)=inco(1,i) outco(3,10,i)=inco(3,i) !S=11 outco(1,11,i)=inco(1,i)-inco(2,i) outco(2,11,i)=-inco(2,i) outco(3,11,i)=+inco(3,i) !S=12 outco(1,12,i)=-inco(1,i) outco(2,12,i)=-inco(1,i)+inco(2,i) outco(3,12,i)=+inco(3,i) CASE (184) !P6cc DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=inco(3,i) !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=inco(3,i) !S=6 outco(1,6,i)=inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=inco(3,i) !S=7 outco(1,7,i)=-inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i)+inco(2,i) outco(2,8,i)=inco(2,i) outco(3,8,i)=inco(3,i)+0.5_DP !S=9 outco(1,9,i)=inco(1,i) outco(2,9,i)=inco(1,i)-inco(2,i) outco(3,9,i)=inco(3,i)+0.5_DP !S=10 outco(1,10,i)=inco(2,i) outco(2,10,i)=inco(1,i) outco(3,10,i)=inco(3,i)+0.5_DP !S=11 outco(1,11,i)=inco(1,i)-inco(2,i) outco(2,11,i)=-inco(2,i) outco(3,11,i)=+inco(3,i)+0.5_DP !S=12 outco(1,12,i)=-inco(1,i) outco(2,12,i)=-inco(1,i)+inco(2,i) outco(3,12,i)=+inco(3,i)+0.5_DP CASE (185) !P6(3)cm DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=inco(3,i)+0.5_DP !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=inco(3,i)+0.5_DP !S=6 outco(1,6,i)=inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=inco(3,i)+0.5_DP !S=7 outco(1,7,i)=-inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i)+inco(2,i) outco(2,8,i)=inco(2,i) outco(3,8,i)=inco(3,i)+0.5_DP !S=9 outco(1,9,i)=inco(1,i) outco(2,9,i)=inco(1,i)-inco(2,i) outco(3,9,i)=inco(3,i)+0.5_DP !S=10 outco(1,10,i)=inco(2,i) outco(2,10,i)=inco(1,i) outco(3,10,i)=inco(3,i) !S=11 outco(1,11,i)=inco(1,i)-inco(2,i) outco(2,11,i)=-inco(2,i) outco(3,11,i)=+inco(3,i) !S=12 outco(1,12,i)=-inco(1,i) outco(2,12,i)=-inco(1,i)+inco(2,i) outco(3,12,i)=+inco(3,i) CASE (186) !P(3)mc DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=inco(3,i)+0.5_DP !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=inco(3,i)+0.5_DP !S=6 outco(1,6,i)=inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=inco(3,i)+0.5_DP !S=7 outco(1,7,i)=-inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=-inco(1,i)+inco(2,i) outco(2,8,i)=inco(2,i) outco(3,8,i)=inco(3,i) !S=9 outco(1,9,i)=inco(1,i) outco(2,9,i)=inco(1,i)-inco(2,i) outco(3,9,i)=inco(3,i) !S=10 outco(1,10,i)=inco(2,i) outco(2,10,i)=inco(1,i) outco(3,10,i)=inco(3,i)+0.5_DP !S=11 outco(1,11,i)=inco(1,i)-inco(2,i) outco(2,11,i)=-inco(2,i) outco(3,11,i)=+inco(3,i)+0.5_DP !S=12 outco(1,12,i)=-inco(1,i) outco(2,12,i)=-inco(1,i)+inco(2,i) outco(3,12,i)=+inco(3,i)+0.5_DP CASE (187) !P-6m2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=+inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(2,i) outco(2,5,i)=+inco(1,i)-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=-inco(1,i)+inco(2,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=-inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=+inco(3,i) !S=8 outco(1,8,i)=-inco(1,i)+inco(2,i) outco(2,8,i)=inco(2,i) outco(3,8,i)=inco(3,i) !S=9 outco(1,9,i)=inco(1,i) outco(2,9,i)=inco(1,i)-inco(2,i) outco(3,9,i)=inco(3,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=-inco(1,i) outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=-inco(1,i)+inco(2,i) outco(2,11,i)=+inco(2,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=+inco(1,i) outco(2,12,i)=+inco(1,i)-inco(2,i) outco(3,12,i)=-inco(3,i) CASE (188) !P-6c2 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=+inco(2,i) outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(2,i) outco(2,5,i)=+inco(1,i)-inco(2,i) outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=-inco(1,i)+inco(2,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=-inco(2,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=+inco(3,i)+0.5_DP !S=8 outco(1,8,i)=-inco(1,i)+inco(2,i) outco(2,8,i)=inco(2,i) outco(3,8,i)=inco(3,i)+0.5_DP !S=9 outco(1,9,i)=inco(1,i) outco(2,9,i)=inco(1,i)-inco(2,i) outco(3,9,i)=inco(3,i)+0.5_DP !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=-inco(1,i) outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=-inco(1,i)+inco(2,i) outco(2,11,i)=+inco(2,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=+inco(1,i) outco(2,12,i)=+inco(1,i)-inco(2,i) outco(3,12,i)=-inco(3,i) CASE (189) !P-62m DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=+inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=-inco(2,i) outco(2,5,i)=+inco(1,i)-inco(2,i) outco(3,5,i)=-inco(3,i) !S=6 outco(1,6,i)=-inco(1,i)+inco(2,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=+inco(1,i)-inco(2,i) outco(2,8,i)=-inco(2,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(1,i)+inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=inco(2,i) outco(2,10,i)=inco(1,i) outco(3,10,i)=inco(3,i) !S=11 outco(1,11,i)=inco(1,i)-inco(2,i) outco(2,11,i)=-inco(2,i) outco(3,11,i)=inco(3,i) !S=12 outco(1,12,i)=-inco(1,i) outco(2,12,i)=-inco(1,i)+inco(2,i) outco(3,12,i)=inco(3,i) CASE (190) !P-62c DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=+inco(1,i) outco(2,4,i)=+inco(2,i) outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=-inco(2,i) outco(2,5,i)=+inco(1,i)-inco(2,i) outco(3,5,i)=-inco(3,i)+0.5_DP !S=6 outco(1,6,i)=-inco(1,i)+inco(2,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=+inco(1,i)-inco(2,i) outco(2,8,i)=-inco(2,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(1,i)+inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=inco(2,i) outco(2,10,i)=inco(1,i) outco(3,10,i)=inco(3,i)+0.5_DP !S=11 outco(1,11,i)=inco(1,i)-inco(2,i) outco(2,11,i)=-inco(2,i) outco(3,11,i)=inco(3,i)+0.5_DP !S=12 outco(1,12,i)=-inco(1,i) outco(2,12,i)=-inco(1,i)+inco(2,i) outco(3,12,i)=inco(3,i)+0.5_DP CASE (191) !P6/mmm DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=+inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=+inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=+inco(1,i)-inco(2,i) outco(2,8,i)=-inco(2,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(1,i)+inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=-inco(1,i) outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=-inco(1,i)+inco(2,i) outco(2,11,i)=+inco(2,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=inco(1,i) outco(2,12,i)=+inco(1,i)-inco(2,i) outco(3,12,i)=-inco(3,i) !S=13 outco(1,13,i)=-inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=inco(2,i) outco(2,14,i)=-inco(1,i)+inco(2,i) outco(3,14,i)=-inco(3,i) !S=15 outco(1,15,i)=+inco(1,i)-inco(2,i) outco(2,15,i)=+inco(1,i) outco(3,15,i)=-inco(3,i) !S=16 outco(1,16,i)=+inco(1,i) outco(2,16,i)=+inco(2,i) outco(3,16,i)=-inco(3,i) !S=17 outco(1,17,i)=-inco(2,i) outco(2,17,i)=+inco(1,i)-inco(2,i) outco(3,17,i)=-inco(3,i) !S=18 outco(1,18,i)=-inco(1,i)+inco(2,i) outco(2,18,i)=-inco(1,i) outco(3,18,i)=-inco(3,i) !S=19 outco(1,19,i)=-inco(2,i) outco(2,19,i)=-inco(1,i) outco(3,19,i)=+inco(3,i) !S=20 outco(1,20,i)=-inco(1,i)+inco(2,i) outco(2,20,i)=+inco(2,i) outco(3,20,i)=+inco(3,i) !S=21 outco(1,21,i)=inco(1,i) outco(2,21,i)=+inco(1,i)-inco(2,i) outco(3,21,i)=+inco(3,i) !S=22 outco(1,22,i)=inco(2,i) outco(2,22,i)=inco(1,i) outco(3,22,i)=inco(3,i) !S=23 outco(1,23,i)=inco(1,i)-inco(2,i) outco(2,23,i)=-inco(2,i) outco(3,23,i)=inco(3,i) !S=24 outco(1,24,i)=-inco(1,i) outco(2,24,i)=-inco(1,i)+inco(2,i) outco(3,24,i)=+inco(3,i) CASE (192) !P6/mmc DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=+inco(3,i) !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=+inco(3,i) !S=6 outco(1,6,i)=+inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=+inco(3,i) !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=+inco(1,i)-inco(2,i) outco(2,8,i)=-inco(2,i) outco(3,8,i)=-inco(3,i)+0.5_DP !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(1,i)+inco(2,i) outco(3,9,i)=-inco(3,i)+0.5_DP !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=-inco(1,i) outco(3,10,i)=-inco(3,i)+0.5_DP !S=11 outco(1,11,i)=-inco(1,i)+inco(2,i) outco(2,11,i)=+inco(2,i) outco(3,11,i)=-inco(3,i)+0.5_DP !S=12 outco(1,12,i)=inco(1,i) outco(2,12,i)=+inco(1,i)-inco(2,i) outco(3,12,i)=-inco(3,i)+0.5_DP !S=13 outco(1,13,i)=-inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=inco(2,i) outco(2,14,i)=-inco(1,i)+inco(2,i) outco(3,14,i)=-inco(3,i) !S=15 outco(1,15,i)=+inco(1,i)-inco(2,i) outco(2,15,i)=+inco(1,i) outco(3,15,i)=-inco(3,i) !S=16 outco(1,16,i)=+inco(1,i) outco(2,16,i)=+inco(2,i) outco(3,16,i)=-inco(3,i) !S=17 outco(1,17,i)=-inco(2,i) outco(2,17,i)=+inco(1,i)-inco(2,i) outco(3,17,i)=-inco(3,i) !S=18 outco(1,18,i)=-inco(1,i)+inco(2,i) outco(2,18,i)=-inco(1,i) outco(3,18,i)=-inco(3,i) !S=19 outco(1,19,i)=-inco(2,i) outco(2,19,i)=-inco(1,i) outco(3,19,i)=+inco(3,i)+0.5_DP !S=20 outco(1,20,i)=-inco(1,i)+inco(2,i) outco(2,20,i)=+inco(2,i) outco(3,20,i)=+inco(3,i)+0.5_DP !S=21 outco(1,21,i)=inco(1,i) outco(2,21,i)=+inco(1,i)-inco(2,i) outco(3,21,i)=+inco(3,i)+0.5_DP !S=22 outco(1,22,i)=inco(2,i) outco(2,22,i)=inco(1,i) outco(3,22,i)=inco(3,i)+0.5_DP !S=23 outco(1,23,i)=inco(1,i)-inco(2,i) outco(2,23,i)=-inco(2,i) outco(3,23,i)=inco(3,i)+0.5_DP !S=24 outco(1,24,i)=-inco(1,i) outco(2,24,i)=-inco(1,i)+inco(2,i) outco(3,24,i)=+inco(3,i)+0.5_DP CASE (193) !P6(3)/mcm DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=+inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=+inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i)+0.5_DP !S=8 outco(1,8,i)=+inco(1,i)-inco(2,i) outco(2,8,i)=-inco(2,i) outco(3,8,i)=-inco(3,i)+0.5_DP !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(1,i)+inco(2,i) outco(3,9,i)=-inco(3,i)+0.5_DP !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=-inco(1,i) outco(3,10,i)=-inco(3,i) !S=11 outco(1,11,i)=-inco(1,i)+inco(2,i) outco(2,11,i)=+inco(2,i) outco(3,11,i)=-inco(3,i) !S=12 outco(1,12,i)=inco(1,i) outco(2,12,i)=+inco(1,i)-inco(2,i) outco(3,12,i)=-inco(3,i) !S=13 outco(1,13,i)=-inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=inco(2,i) outco(2,14,i)=-inco(1,i)+inco(2,i) outco(3,14,i)=-inco(3,i) !S=15 outco(1,15,i)=+inco(1,i)-inco(2,i) outco(2,15,i)=+inco(1,i) outco(3,15,i)=-inco(3,i) !S=16 outco(1,16,i)=+inco(1,i) outco(2,16,i)=+inco(2,i) outco(3,16,i)=-inco(3,i)+0.5_DP !S=17 outco(1,17,i)=-inco(2,i) outco(2,17,i)=+inco(1,i)-inco(2,i) outco(3,17,i)=-inco(3,i)+0.5_DP !S=18 outco(1,18,i)=-inco(1,i)+inco(2,i) outco(2,18,i)=-inco(1,i) outco(3,18,i)=-inco(3,i)+0.5_DP !S=19 outco(1,19,i)=-inco(2,i) outco(2,19,i)=-inco(1,i) outco(3,19,i)=+inco(3,i)+0.5_DP !S=20 outco(1,20,i)=-inco(1,i)+inco(2,i) outco(2,20,i)=+inco(2,i) outco(3,20,i)=+inco(3,i)+0.5_DP !S=21 outco(1,21,i)=inco(1,i) outco(2,21,i)=+inco(1,i)-inco(2,i) outco(3,21,i)=+inco(3,i)+0.5_DP !S=22 outco(1,22,i)=inco(2,i) outco(2,22,i)=inco(1,i) outco(3,22,i)=inco(3,i) !S=23 outco(1,23,i)=inco(1,i)-inco(2,i) outco(2,23,i)=-inco(2,i) outco(3,23,i)=inco(3,i) !S=24 outco(1,24,i)=-inco(1,i) outco(2,24,i)=-inco(1,i)+inco(2,i) outco(3,24,i)=+inco(3,i) CASE (194) DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(2,i) outco(2,2,i)=inco(1,i)-inco(2,i) outco(3,2,i)=+inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+inco(2,i) outco(2,3,i)=-inco(1,i) outco(3,3,i)=+inco(3,i) !S=4 outco(1,4,i)=-inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=+inco(3,i)+0.5_DP !S=5 outco(1,5,i)=+inco(2,i) outco(2,5,i)=-inco(1,i)+inco(2,i) outco(3,5,i)=+inco(3,i)+0.5_DP !S=6 outco(1,6,i)=+inco(1,i)-inco(2,i) outco(2,6,i)=+inco(1,i) outco(3,6,i)=+inco(3,i)+0.5_DP !S=7 outco(1,7,i)=+inco(2,i) outco(2,7,i)=+inco(1,i) outco(3,7,i)=-inco(3,i) !S=8 outco(1,8,i)=+inco(1,i)-inco(2,i) outco(2,8,i)=-inco(2,i) outco(3,8,i)=-inco(3,i) !S=9 outco(1,9,i)=-inco(1,i) outco(2,9,i)=-inco(1,i)+inco(2,i) outco(3,9,i)=-inco(3,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=-inco(1,i) outco(3,10,i)=-inco(3,i)+0.5_DP !S=11 outco(1,11,i)=-inco(1,i)+inco(2,i) outco(2,11,i)=+inco(2,i) outco(3,11,i)=-inco(3,i)+0.5_DP !S=12 outco(1,12,i)=inco(1,i) outco(2,12,i)=+inco(1,i)-inco(2,i) outco(3,12,i)=-inco(3,i)+0.5_DP !S=13 outco(1,13,i)=-inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=inco(2,i) outco(2,14,i)=-inco(1,i)+inco(2,i) outco(3,14,i)=-inco(3,i) !S=15 outco(1,15,i)=+inco(1,i)-inco(2,i) outco(2,15,i)=+inco(1,i) outco(3,15,i)=-inco(3,i) !S=16 outco(1,16,i)=+inco(1,i) outco(2,16,i)=+inco(2,i) outco(3,16,i)=-inco(3,i)+0.5_DP !S=17 outco(1,17,i)=-inco(2,i) outco(2,17,i)=+inco(1,i)-inco(2,i) outco(3,17,i)=-inco(3,i)+0.5_DP !S=18 outco(1,18,i)=-inco(1,i)+inco(2,i) outco(2,18,i)=-inco(1,i) outco(3,18,i)=-inco(3,i)+0.5_DP !S=19 outco(1,19,i)=-inco(2,i) outco(2,19,i)=-inco(1,i) outco(3,19,i)=+inco(3,i) !S=20 outco(1,20,i)=-inco(1,i)+inco(2,i) outco(2,20,i)=+inco(2,i) outco(3,20,i)=+inco(3,i) !S=21 outco(1,21,i)=inco(1,i) outco(2,21,i)=+inco(1,i)-inco(2,i) outco(3,21,i)=+inco(3,i) !S=22 outco(1,22,i)=inco(2,i) outco(2,22,i)=inco(1,i) outco(3,22,i)=inco(3,i)+0.5_DP !S=23 outco(1,23,i)=inco(1,i)-inco(2,i) outco(2,23,i)=-inco(2,i) outco(3,23,i)=inco(3,i)+0.5_DP !S=24 outco(1,24,i)=-inco(1,i) outco(2,24,i)=-inco(1,i)+inco(2,i) outco(3,24,i)=+inco(3,i)+0.5_DP !***************************************** !Cubic 195-230 CASE (195) !P23 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) CASE (196) !F23 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) CASE (197) !I23 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) CASE (198) !P2(1)3 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i)+0.5_DP outco(2,6,i)=-inco(1,i)+0.5_DP outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i)+0.5_DP outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i)+0.5_DP !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i)+0.5_DP outco(3,8,i)=-inco(2,i)+0.5_DP !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i)+0.5_DP outco(3,10,i)=-inco(1,i)+0.5_DP !S=11 outco(1,11,i)=inco(2,i)+0.5_DP outco(2,11,i)=-inco(3,i)+0.5_DP outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i)+0.5_DP outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i)+0.5_DP CASE (199) !I2(1)3 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i)+0.5_DP outco(2,6,i)=-inco(1,i)+0.5_DP outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i)+0.5_DP outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i)+0.5_DP !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i)+0.5_DP outco(3,8,i)=-inco(2,i)+0.5_DP !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i)+0.5_DP outco(3,10,i)=-inco(1,i)+0.5_DP !S=11 outco(1,11,i)=inco(2,i)+0.5_DP outco(2,11,i)=-inco(3,i)+0.5_DP outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i)+0.5_DP outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i)+0.5_DP CASE (200) !Pm-3 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=-inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=+inco(1,i) outco(2,14,i)=+inco(2,i) outco(3,14,i)=-inco(3,i) !S=15 outco(1,15,i)=inco(1,i) outco(2,15,i)=-inco(2,i) outco(3,15,i)=inco(3,i) !S=16 outco(1,16,i)=-inco(1,i) outco(2,16,i)=+inco(2,i) outco(3,16,i)=+inco(3,i) !S=17 outco(1,17,i)=-inco(3,i) outco(2,17,i)=-inco(1,i) outco(3,17,i)=-inco(2,i) !S=18 outco(1,18,i)=-inco(3,i) outco(2,18,i)=+inco(1,i) outco(3,18,i)=+inco(2,i) !S=19 outco(1,19,i)=+inco(3,i) outco(2,19,i)=+inco(1,i) outco(3,19,i)=-inco(2,i) !S=20 outco(1,20,i)=inco(3,i) outco(2,20,i)=-inco(1,i) outco(3,20,i)=inco(2,i) !S=21 outco(1,21,i)=-inco(2,i) outco(2,21,i)=-inco(3,i) outco(3,21,i)=-inco(1,i) !S=22 outco(1,22,i)=inco(2,i) outco(2,22,i)=-inco(3,i) outco(3,22,i)=inco(1,i) !S=23 outco(1,23,i)=-inco(2,i) outco(2,23,i)=inco(3,i) outco(3,23,i)=inco(1,i) !S=24 outco(1,24,i)=+inco(2,i) outco(2,24,i)=+inco(3,i) outco(3,24,i)=-inco(1,i) CASE(201) !Pn-3 IF (unique=='1') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=-inco(1,i)+0.5_DP outco(2,13,i)=-inco(2,i)+0.5_DP outco(3,13,i)=-inco(3,i)+0.5_DP !S=14 outco(1,14,i)=+inco(1,i)+0.5_DP outco(2,14,i)=+inco(2,i)+0.5_DP outco(3,14,i)=-inco(3,i)+0.5_DP !S=15 outco(1,15,i)=inco(1,i)+0.5_DP outco(2,15,i)=-inco(2,i)+0.5_DP outco(3,15,i)=inco(3,i)+0.5_DP !S=16 outco(1,16,i)=-inco(1,i)+0.5_DP outco(2,16,i)=+inco(2,i)+0.5_DP outco(3,16,i)=+inco(3,i)+0.5_DP !S=17 outco(1,17,i)=-inco(3,i)+0.5_DP outco(2,17,i)=-inco(1,i)+0.5_DP outco(3,17,i)=-inco(2,i)+0.5_DP !S=18 outco(1,18,i)=-inco(3,i)+0.5_DP outco(2,18,i)=+inco(1,i)+0.5_DP outco(3,18,i)=+inco(2,i)+0.5_DP !S=19 outco(1,19,i)=+inco(3,i)+0.5_DP outco(2,19,i)=+inco(1,i)+0.5_DP outco(3,19,i)=-inco(2,i)+0.5_DP !S=20 outco(1,20,i)=inco(3,i)+0.5_DP outco(2,20,i)=-inco(1,i)+0.5_DP outco(3,20,i)=inco(2,i)+0.5_DP !S=21 outco(1,21,i)=-inco(2,i)+0.5_DP outco(2,21,i)=-inco(3,i)+0.5_DP outco(3,21,i)=-inco(1,i)+0.5_DP !S=22 outco(1,22,i)=inco(2,i)+0.5_DP outco(2,22,i)=-inco(3,i)+0.5_DP outco(3,22,i)=inco(1,i)+0.5_DP !S=23 outco(1,23,i)=-inco(2,i)+0.5_DP outco(2,23,i)=inco(3,i)+0.5_DP outco(3,23,i)=inco(1,i)+0.5_DP !S=24 outco(1,24,i)=+inco(2,i)+0.5_DP outco(2,24,i)=+inco(3,i)+0.5_DP outco(3,24,i)=-inco(1,i)+0.5_DP END IF IF (unique=='2') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+0.5_DP outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i)+0.5_DP outco(3,6,i)=-inco(2,i)+0.5_DP !S=7 outco(1,7,i)=-inco(3,i)+0.5_DP outco(2,7,i)=-inco(1,i)+0.5_DP outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i)+0.5_DP outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i)+0.5_DP !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i)+0.5_DP outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i)+0.5_DP !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i)+0.5_DP outco(3,11,i)=-inco(1,i)+0.5_DP !S=12 outco(1,12,i)=-inco(2,i)+0.5_DP outco(2,12,i)=-inco(3,i)+0.5_DP outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=-inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=+inco(1,i)+0.5_DP outco(2,14,i)=+inco(2,i)+0.5_DP outco(3,14,i)=-inco(3,i) !S=15 outco(1,15,i)=inco(1,i)+0.5_DP outco(2,15,i)=-inco(2,i) outco(3,15,i)=inco(3,i)+0.5_DP !S=16 outco(1,16,i)=-inco(1,i) outco(2,16,i)=+inco(2,i)+0.5_DP outco(3,16,i)=+inco(3,i)+0.5_DP !S=17 outco(1,17,i)=-inco(3,i) outco(2,17,i)=-inco(1,i) outco(3,17,i)=-inco(2,i) !S=18 outco(1,18,i)=-inco(3,i) outco(2,18,i)=+inco(1,i)+0.5_DP outco(3,18,i)=+inco(2,i)+0.5_DP !S=19 outco(1,19,i)=+inco(3,i)+0.5_DP outco(2,19,i)=+inco(1,i)+0.5_DP outco(3,19,i)=-inco(2,i) !S=20 outco(1,20,i)=inco(3,i)+0.5_DP outco(2,20,i)=-inco(1,i) outco(3,20,i)=inco(2,i)+0.5_DP !S=21 outco(1,21,i)=-inco(2,i) outco(2,21,i)=-inco(3,i) outco(3,21,i)=-inco(1,i) !S=22 outco(1,22,i)=inco(2,i)+0.5_DP outco(2,22,i)=-inco(3,i) outco(3,22,i)=inco(1,i)+0.5_DP !S=23 outco(1,23,i)=-inco(2,i) outco(2,23,i)=inco(3,i)+0.5_DP outco(3,23,i)=inco(1,i)+0.5_DP !S=24 outco(1,24,i)=+inco(2,i)+0.5_DP outco(2,24,i)=+inco(3,i)+0.5_DP outco(3,24,i)=-inco(1,i) END IF CASE (202) !Fm-3 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=-inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=+inco(1,i) outco(2,14,i)=+inco(2,i) outco(3,14,i)=-inco(3,i) !S=15 outco(1,15,i)=inco(1,i) outco(2,15,i)=-inco(2,i) outco(3,15,i)=inco(3,i) !S=16 outco(1,16,i)=-inco(1,i) outco(2,16,i)=+inco(2,i) outco(3,16,i)=+inco(3,i) !S=17 outco(1,17,i)=-inco(3,i) outco(2,17,i)=-inco(1,i) outco(3,17,i)=-inco(2,i) !S=18 outco(1,18,i)=-inco(3,i) outco(2,18,i)=+inco(1,i) outco(3,18,i)=+inco(2,i) !S=19 outco(1,19,i)=+inco(3,i) outco(2,19,i)=+inco(1,i) outco(3,19,i)=-inco(2,i) !S=20 outco(1,20,i)=inco(3,i) outco(2,20,i)=-inco(1,i) outco(3,20,i)=inco(2,i) !S=21 outco(1,21,i)=-inco(2,i) outco(2,21,i)=-inco(3,i) outco(3,21,i)=-inco(1,i) !S=22 outco(1,22,i)=inco(2,i) outco(2,22,i)=-inco(3,i) outco(3,22,i)=inco(1,i) !S=23 outco(1,23,i)=-inco(2,i) outco(2,23,i)=inco(3,i) outco(3,23,i)=inco(1,i) !S=24 outco(1,24,i)=+inco(2,i) outco(2,24,i)=+inco(3,i) outco(3,24,i)=-inco(1,i) CASE (203) !Fd-3 IF (unique=='1') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=-inco(1,i)+0.25_DP outco(2,13,i)=-inco(2,i)+0.25_DP outco(3,13,i)=-inco(3,i)+0.25_DP !S=14 outco(1,14,i)=+inco(1,i)+0.25_DP outco(2,14,i)=+inco(2,i)+0.25_DP outco(3,14,i)=-inco(3,i)+0.25_DP !S=15 outco(1,15,i)=inco(1,i)+0.25_DP outco(2,15,i)=-inco(2,i)+0.25_DP outco(3,15,i)=inco(3,i)+0.25_DP !S=16 outco(1,16,i)=-inco(1,i)+0.25_DP outco(2,16,i)=+inco(2,i)+0.25_DP outco(3,16,i)=+inco(3,i)+0.25_DP !S=17 outco(1,17,i)=-inco(3,i)+0.25_DP outco(2,17,i)=-inco(1,i)+0.25_DP outco(3,17,i)=-inco(2,i)+0.25_DP !S=18 outco(1,18,i)=-inco(3,i)+0.25_DP outco(2,18,i)=+inco(1,i)+0.25_DP outco(3,18,i)=+inco(2,i)+0.25_DP !S=19 outco(1,19,i)=+inco(3,i)+0.25_DP outco(2,19,i)=+inco(1,i)+0.25_DP outco(3,19,i)=-inco(2,i)+0.25_DP !S=20 outco(1,20,i)=inco(3,i)+0.25_DP outco(2,20,i)=-inco(1,i)+0.25_DP outco(3,20,i)=inco(2,i)+0.25_DP !S=21 outco(1,21,i)=-inco(2,i)+0.25_DP outco(2,21,i)=-inco(3,i)+0.25_DP outco(3,21,i)=-inco(1,i)+0.25_DP !S=22 outco(1,22,i)=inco(2,i)+0.25_DP outco(2,22,i)=-inco(3,i)+0.25_DP outco(3,22,i)=inco(1,i)+0.25_DP !S=23 outco(1,23,i)=-inco(2,i)+0.25_DP outco(2,23,i)=inco(3,i)+0.25_DP outco(3,23,i)=inco(1,i)+0.25_DP !S=24 outco(1,24,i)=+inco(2,i)+0.25_DP outco(2,24,i)=+inco(3,i)+0.25_DP outco(3,24,i)=-inco(1,i)+0.25_DP END IF IF (unique=='2') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.75_DP outco(2,2,i)=-inco(2,i)+0.75_DP outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+0.75_DP outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i)+0.75_DP !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i)+0.75_DP outco(3,4,i)=-inco(3,i)+0.75_DP !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i)+0.75_DP outco(3,6,i)=-inco(2,i)+0.75_DP !S=7 outco(1,7,i)=-inco(3,i)+0.75_DP outco(2,7,i)=-inco(1,i)+0.75_DP outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i)+0.75_DP outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i)+0.75_DP !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i)+0.75_DP outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i)+0.75_DP !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i)+0.75_DP outco(3,11,i)=-inco(1,i)+0.75_DP !S=12 outco(1,12,i)=-inco(2,i)+0.75_DP outco(2,12,i)=-inco(3,i)+0.75_DP outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=-inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=+inco(1,i)+0.25_DP outco(2,14,i)=+inco(2,i)+0.25_DP outco(3,14,i)=-inco(3,i) !S=15 outco(1,15,i)=inco(1,i)+0.25_DP outco(2,15,i)=-inco(2,i) outco(3,15,i)=inco(3,i)+0.25_DP !S=16 outco(1,16,i)=-inco(1,i) outco(2,16,i)=+inco(2,i)+0.25_DP outco(3,16,i)=+inco(3,i)+0.25_DP !S=17 outco(1,17,i)=-inco(3,i) outco(2,17,i)=-inco(1,i) outco(3,17,i)=-inco(2,i) !S=18 outco(1,18,i)=-inco(3,i) outco(2,18,i)=+inco(1,i)+0.25_DP outco(3,18,i)=+inco(2,i)+0.25_DP !S=19 outco(1,19,i)=+inco(3,i)+0.25_DP outco(2,19,i)=+inco(1,i)+0.25_DP outco(3,19,i)=-inco(2,i) !S=20 outco(1,20,i)=inco(3,i)+0.25_DP outco(2,20,i)=-inco(1,i) outco(3,20,i)=inco(2,i)+0.25_DP !S=21 outco(1,21,i)=-inco(2,i) outco(2,21,i)=-inco(3,i) outco(3,21,i)=-inco(1,i) !S=22 outco(1,22,i)=inco(2,i)+0.25_DP outco(2,22,i)=-inco(3,i) outco(3,22,i)=inco(1,i)+0.25_DP !S=23 outco(1,23,i)=-inco(2,i) outco(2,23,i)=inco(3,i)+0.25_DP outco(3,23,i)=inco(1,i)+0.25_DP !S=24 outco(1,24,i)=+inco(2,i)+0.25_DP outco(2,24,i)=+inco(3,i)+0.25_DP outco(3,24,i)=-inco(1,i) END IF CASE (204) !Im-3 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=-inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=+inco(1,i) outco(2,14,i)=+inco(2,i) outco(3,14,i)=-inco(3,i) !S=15 outco(1,15,i)=inco(1,i) outco(2,15,i)=-inco(2,i) outco(3,15,i)=inco(3,i) !S=16 outco(1,16,i)=-inco(1,i) outco(2,16,i)=+inco(2,i) outco(3,16,i)=+inco(3,i) !S=17 outco(1,17,i)=-inco(3,i) outco(2,17,i)=-inco(1,i) outco(3,17,i)=-inco(2,i) !S=18 outco(1,18,i)=-inco(3,i) outco(2,18,i)=+inco(1,i) outco(3,18,i)=+inco(2,i) !S=19 outco(1,19,i)=+inco(3,i) outco(2,19,i)=+inco(1,i) outco(3,19,i)=-inco(2,i) !S=20 outco(1,20,i)=inco(3,i) outco(2,20,i)=-inco(1,i) outco(3,20,i)=inco(2,i) !S=21 outco(1,21,i)=-inco(2,i) outco(2,21,i)=-inco(3,i) outco(3,21,i)=-inco(1,i) !S=22 outco(1,22,i)=inco(2,i) outco(2,22,i)=-inco(3,i) outco(3,22,i)=inco(1,i) !S=23 outco(1,23,i)=-inco(2,i) outco(2,23,i)=inco(3,i) outco(3,23,i)=inco(1,i) !S=24 outco(1,24,i)=+inco(2,i) outco(2,24,i)=+inco(3,i) outco(3,24,i)=-inco(1,i) CASE (205) !Pa-3 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i)+0.5_DP outco(2,6,i)=-inco(1,i)+0.5_DP outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i)+0.5_DP outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i)+0.5_DP !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i)+0.5_DP outco(3,8,i)=-inco(2,i)+0.5_DP !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i)+0.5_DP outco(3,10,i)=-inco(1,i)+0.5_DP !S=11 outco(1,11,i)=inco(2,i)+0.5_DP outco(2,11,i)=-inco(3,i)+0.5_DP outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i)+0.5_DP outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i)+0.5_DP !S=13 outco(1,13,i)=-inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=+inco(1,i)+0.5_DP outco(2,14,i)=+inco(2,i) outco(3,14,i)=-inco(3,i)+0.5_DP !S=15 outco(1,15,i)=inco(1,i) outco(2,15,i)=-inco(2,i)+0.5_DP outco(3,15,i)=inco(3,i)+0.5_DP !S=16 outco(1,16,i)=-inco(1,i)+0.5_DP outco(2,16,i)=+inco(2,i)+0.5_DP outco(3,16,i)=+inco(3,i) !S=17 outco(1,17,i)=-inco(3,i) outco(2,17,i)=-inco(1,i) outco(3,17,i)=-inco(2,i) !S=18 outco(1,18,i)=-inco(3,i)+0.5_DP outco(2,18,i)=+inco(1,i)+0.5_DP outco(3,18,i)=+inco(2,i) !S=19 outco(1,19,i)=+inco(3,i)+0.5_DP outco(2,19,i)=+inco(1,i) outco(3,19,i)=-inco(2,i)+0.5_DP !S=20 outco(1,20,i)=inco(3,i) outco(2,20,i)=-inco(1,i)+0.5_DP outco(3,20,i)=inco(2,i)+0.5_DP !S=21 outco(1,21,i)=-inco(2,i) outco(2,21,i)=-inco(3,i) outco(3,21,i)=-inco(1,i) !S=22 outco(1,22,i)=inco(2,i) outco(2,22,i)=-inco(3,i)+0.5_DP outco(3,22,i)=inco(1,i)+0.5_DP !S=23 outco(1,23,i)=-inco(2,i)+0.5_DP outco(2,23,i)=inco(3,i)+0.5_DP outco(3,23,i)=inco(1,i) !S=24 outco(1,24,i)=+inco(2,i)+0.5_DP outco(2,24,i)=+inco(3,i) outco(3,24,i)=-inco(1,i)+0.5_DP CASE (206) !Ia-3 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i)+0.5_DP outco(2,6,i)=-inco(1,i)+0.5_DP outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i)+0.5_DP outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i)+0.5_DP !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i)+0.5_DP outco(3,8,i)=-inco(2,i)+0.5_DP !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i)+0.5_DP outco(3,10,i)=-inco(1,i)+0.5_DP !S=11 outco(1,11,i)=inco(2,i)+0.5_DP outco(2,11,i)=-inco(3,i)+0.5_DP outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i)+0.5_DP outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i)+0.5_DP !S=13 outco(1,13,i)=-inco(1,i) outco(2,13,i)=-inco(2,i) outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=+inco(1,i)+0.5_DP outco(2,14,i)=+inco(2,i) outco(3,14,i)=-inco(3,i)+0.5_DP !S=15 outco(1,15,i)=inco(1,i) outco(2,15,i)=-inco(2,i)+0.5_DP outco(3,15,i)=inco(3,i)+0.5_DP !S=16 outco(1,16,i)=-inco(1,i)+0.5_DP outco(2,16,i)=+inco(2,i)+0.5_DP outco(3,16,i)=+inco(3,i) !S=17 outco(1,17,i)=-inco(3,i) outco(2,17,i)=-inco(1,i) outco(3,17,i)=-inco(2,i) !S=18 outco(1,18,i)=-inco(3,i)+0.5_DP outco(2,18,i)=+inco(1,i)+0.5_DP outco(3,18,i)=+inco(2,i) !S=19 outco(1,19,i)=+inco(3,i)+0.5_DP outco(2,19,i)=+inco(1,i) outco(3,19,i)=-inco(2,i)+0.5_DP !S=20 outco(1,20,i)=inco(3,i) outco(2,20,i)=-inco(1,i)+0.5_DP outco(3,20,i)=inco(2,i)+0.5_DP !S=21 outco(1,21,i)=-inco(2,i) outco(2,21,i)=-inco(3,i) outco(3,21,i)=-inco(1,i) !S=22 outco(1,22,i)=inco(2,i) outco(2,22,i)=-inco(3,i)+0.5_DP outco(3,22,i)=inco(1,i)+0.5_DP !S=23 outco(1,23,i)=-inco(2,i)+0.5_DP outco(2,23,i)=inco(3,i)+0.5_DP outco(3,23,i)=inco(1,i) !S=24 outco(1,24,i)=+inco(2,i)+0.5_DP outco(2,24,i)=+inco(3,i) outco(3,24,i)=-inco(1,i)+0.5_DP CASE (207) !P432 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=inco(2,i) outco(2,13,i)=inco(1,i) outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=-inco(2,i) outco(2,14,i)=-inco(1,i) outco(3,14,i)=-inco(3,i) !S=15 outco(1,15,i)=inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=inco(3,i) !S=16 outco(1,16,i)=-inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=+inco(3,i) !S=17 outco(1,17,i)=+inco(1,i) outco(2,17,i)=+inco(3,i) outco(3,17,i)=-inco(2,i) !S=18 outco(1,18,i)=-inco(1,i) outco(2,18,i)=+inco(3,i) outco(3,18,i)=+inco(2,i) !S=19 outco(1,19,i)=-inco(1,i) outco(2,19,i)=-inco(3,i) outco(3,19,i)=-inco(2,i) !S=20 outco(1,20,i)=inco(1,i) outco(2,20,i)=-inco(3,i) outco(3,20,i)=inco(2,i) !S=21 outco(1,21,i)=inco(3,i) outco(2,21,i)=inco(2,i) outco(3,21,i)=-inco(1,i) !S=22 outco(1,22,i)=inco(3,i) outco(2,22,i)=-inco(2,i) outco(3,22,i)=inco(1,i) !S=23 outco(1,23,i)=-inco(3,i) outco(2,23,i)=inco(2,i) outco(3,23,i)=inco(1,i) !S=24 outco(1,24,i)=-inco(3,i) outco(2,24,i)=-inco(2,i) outco(3,24,i)=-inco(1,i) CASE (208) !P4(2)32 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=inco(2,i)+0.5_DP outco(2,13,i)=inco(1,i)+0.5_DP outco(3,13,i)=-inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(2,i)+0.5_DP outco(2,14,i)=-inco(1,i)+0.5_DP outco(3,14,i)=-inco(3,i)+0.5_DP !S=15 outco(1,15,i)=inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=inco(3,i)+0.5_DP !S=16 outco(1,16,i)=-inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=+inco(3,i)+0.5_DP !S=17 outco(1,17,i)=+inco(1,i)+0.5_DP outco(2,17,i)=+inco(3,i)+0.5_DP outco(3,17,i)=-inco(2,i)+0.5_DP !S=18 outco(1,18,i)=-inco(1,i)+0.5_DP outco(2,18,i)=+inco(3,i)+0.5_DP outco(3,18,i)=+inco(2,i)+0.5_DP !S=19 outco(1,19,i)=-inco(1,i)+0.5_DP outco(2,19,i)=-inco(3,i)+0.5_DP outco(3,19,i)=-inco(2,i)+0.5_DP !S=20 outco(1,20,i)=inco(1,i)+0.5_DP outco(2,20,i)=-inco(3,i)+0.5_DP outco(3,20,i)=inco(2,i)+0.5_DP !S=21 outco(1,21,i)=inco(3,i)+0.5_DP outco(2,21,i)=inco(2,i)+0.5_DP outco(3,21,i)=-inco(1,i)+0.5_DP !S=22 outco(1,22,i)=inco(3,i)+0.5_DP outco(2,22,i)=-inco(2,i)+0.5_DP outco(3,22,i)=inco(1,i)+0.5_DP !S=23 outco(1,23,i)=-inco(3,i)+0.5_DP outco(2,23,i)=inco(2,i)+0.5_DP outco(3,23,i)=inco(1,i)+0.5_DP !S=24 outco(1,24,i)=-inco(3,i)+0.5_DP outco(2,24,i)=-inco(2,i)+0.5_DP outco(3,24,i)=-inco(1,i)+0.5_DP CASE (209) !F432 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=inco(2,i) outco(2,13,i)=inco(1,i) outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=-inco(2,i) outco(2,14,i)=-inco(1,i) outco(3,14,i)=-inco(3,i) !S=15 outco(1,15,i)=inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=inco(3,i) !S=16 outco(1,16,i)=-inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=+inco(3,i) !S=17 outco(1,17,i)=+inco(1,i) outco(2,17,i)=+inco(3,i) outco(3,17,i)=-inco(2,i) !S=18 outco(1,18,i)=-inco(1,i) outco(2,18,i)=+inco(3,i) outco(3,18,i)=+inco(2,i) !S=19 outco(1,19,i)=-inco(1,i) outco(2,19,i)=-inco(3,i) outco(3,19,i)=-inco(2,i) !S=20 outco(1,20,i)=inco(1,i) outco(2,20,i)=-inco(3,i) outco(3,20,i)=inco(2,i) !S=21 outco(1,21,i)=inco(3,i) outco(2,21,i)=inco(2,i) outco(3,21,i)=-inco(1,i) !S=22 outco(1,22,i)=inco(3,i) outco(2,22,i)=-inco(2,i) outco(3,22,i)=inco(1,i) !S=23 outco(1,23,i)=-inco(3,i) outco(2,23,i)=inco(2,i) outco(3,23,i)=inco(1,i) !S=24 outco(1,24,i)=-inco(3,i) outco(2,24,i)=-inco(2,i) outco(3,24,i)=-inco(1,i) CASE (210) !F4(1)32 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i)+0.5_DP outco(2,3,i)=inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i)+0.5_DP outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i)+0.5_DP !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i)+0.5_DP outco(3,7,i)=inco(2,i)+0.5_DP !S=8 outco(1,8,i)=-inco(3,i)+0.5_DP outco(2,8,i)=inco(1,i)+0.5_DP outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i)+0.5_DP outco(2,10,i)=inco(3,i)+0.5_DP outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i)+0.5_DP outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i)+0.5_DP !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i)+0.5_DP outco(3,12,i)=inco(1,i)+0.5_DP !S=13 outco(1,13,i)=inco(2,i)+0.75_DP outco(2,13,i)=inco(1,i)+0.25_DP outco(3,13,i)=-inco(3,i)+0.75_DP !S=14 outco(1,14,i)=-inco(2,i)+0.25_DP outco(2,14,i)=-inco(1,i)+0.25_DP outco(3,14,i)=-inco(3,i)+0.25_DP !S=15 outco(1,15,i)=inco(2,i)+0.25_DP outco(2,15,i)=-inco(1,i)+0.75_DP outco(3,15,i)=inco(3,i)+0.75_DP !S=16 outco(1,16,i)=-inco(2,i)+0.75_DP outco(2,16,i)=+inco(1,i)+0.75_DP outco(3,16,i)=+inco(3,i)+0.25_DP !S=17 outco(1,17,i)=+inco(1,i)+0.75_DP outco(2,17,i)=+inco(3,i)+0.25_DP outco(3,17,i)=-inco(2,i)+0.75_DP !S=18 outco(1,18,i)=-inco(1,i)+0.75_DP outco(2,18,i)=+inco(3,i)+0.75_DP outco(3,18,i)=+inco(2,i)+0.25_DP !S=19 outco(1,19,i)=-inco(1,i)+0.25_DP outco(2,19,i)=-inco(3,i)+0.25_DP outco(3,19,i)=-inco(2,i)+0.25_DP !S=20 outco(1,20,i)=inco(1,i)+0.25_DP outco(2,20,i)=-inco(3,i)+0.75_DP outco(3,20,i)=inco(2,i)+0.75_DP !S=21 outco(1,21,i)=inco(3,i)+0.75_DP outco(2,21,i)=inco(2,i)+0.25_DP outco(3,21,i)=-inco(1,i)+0.75_DP !S=22 outco(1,22,i)=inco(3,i)+0.25_DP outco(2,22,i)=-inco(2,i)+0.75_DP outco(3,22,i)=inco(1,i)+0.75_DP !S=23 outco(1,23,i)=-inco(3,i)+0.75_DP outco(2,23,i)=inco(2,i)+0.75_DP outco(3,23,i)=inco(1,i)+0.25_DP !S=24 outco(1,24,i)=-inco(3,i)+0.25_DP outco(2,24,i)=-inco(2,i)+0.25_DP outco(3,24,i)=-inco(1,i)+0.25_DP CASE (211) !I432 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=inco(2,i) outco(2,13,i)=inco(1,i) outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=-inco(2,i) outco(2,14,i)=-inco(1,i) outco(3,14,i)=-inco(3,i) !S=15 outco(1,15,i)=inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=inco(3,i) !S=16 outco(1,16,i)=-inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=+inco(3,i) !S=17 outco(1,17,i)=+inco(1,i) outco(2,17,i)=+inco(3,i) outco(3,17,i)=-inco(2,i) !S=18 outco(1,18,i)=-inco(1,i) outco(2,18,i)=+inco(3,i) outco(3,18,i)=+inco(2,i) !S=19 outco(1,19,i)=-inco(1,i) outco(2,19,i)=-inco(3,i) outco(3,19,i)=-inco(2,i) !S=20 outco(1,20,i)=inco(1,i) outco(2,20,i)=-inco(3,i) outco(3,20,i)=inco(2,i) !S=21 outco(1,21,i)=inco(3,i) outco(2,21,i)=inco(2,i) outco(3,21,i)=-inco(1,i) !S=22 outco(1,22,i)=inco(3,i) outco(2,22,i)=-inco(2,i) outco(3,22,i)=inco(1,i) !S=23 outco(1,23,i)=-inco(3,i) outco(2,23,i)=inco(2,i) outco(3,23,i)=inco(1,i) !S=24 outco(1,24,i)=-inco(3,i) outco(2,24,i)=-inco(2,i) outco(3,24,i)=-inco(1,i) CASE (212) !P4(3)32 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i)+0.5_DP outco(2,6,i)=-inco(1,i)+0.5_DP outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i)+0.5_DP outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i)+0.5_DP !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i)+0.5_DP outco(3,8,i)=-inco(2,i)+0.5_DP !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i)+0.5_DP outco(3,10,i)=-inco(1,i)+0.5_DP !S=11 outco(1,11,i)=inco(2,i)+0.5_DP outco(2,11,i)=-inco(3,i)+0.5_DP outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i)+0.5_DP outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i)+0.5_DP !S=13 outco(1,13,i)=inco(2,i)+0.25_DP outco(2,13,i)=inco(1,i)+0.75_DP outco(3,13,i)=-inco(3,i)+0.75_DP !S=14 outco(1,14,i)=-inco(2,i)+0.25_DP outco(2,14,i)=-inco(1,i)+0.25_DP outco(3,14,i)=-inco(3,i)+0.25_DP !S=15 outco(1,15,i)=inco(2,i)+0.75_DP outco(2,15,i)=-inco(1,i)+0.75_DP outco(3,15,i)=inco(3,i)+0.25_DP !S=16 outco(1,16,i)=-inco(2,i)+0.75_DP outco(2,16,i)=+inco(1,i)+0.25_DP outco(3,16,i)=+inco(3,i)+0.75_DP !S=17 outco(1,17,i)=+inco(1,i)+0.25_DP outco(2,17,i)=+inco(3,i)+0.75_DP outco(3,17,i)=-inco(2,i)+0.75_DP !S=18 outco(1,18,i)=-inco(1,i)+0.75_DP outco(2,18,i)=+inco(3,i)+0.25_DP outco(3,18,i)=+inco(2,i)+0.75_DP !S=19 outco(1,19,i)=-inco(1,i)+0.25_DP outco(2,19,i)=-inco(3,i)+0.25_DP outco(3,19,i)=-inco(2,i)+0.25_DP !S=20 outco(1,20,i)=inco(1,i)+0.75_DP outco(2,20,i)=-inco(3,i)+0.75_DP outco(3,20,i)=inco(2,i)+0.25_DP !S=21 outco(1,21,i)=inco(3,i)+0.25_DP outco(2,21,i)=inco(2,i)+0.75_DP outco(3,21,i)=-inco(1,i)+0.75_DP !S=22 outco(1,22,i)=inco(3,i)+0.75_DP outco(2,22,i)=-inco(2,i)+0.75_DP outco(3,22,i)=inco(1,i)+0.25_DP !S=23 outco(1,23,i)=-inco(3,i)+0.75_DP outco(2,23,i)=inco(2,i)+0.25_DP outco(3,23,i)=inco(1,i)+0.75_DP !S=24 outco(1,24,i)=-inco(3,i)+0.25_DP outco(2,24,i)=-inco(2,i)+0.25_DP outco(3,24,i)=-inco(1,i)+0.25_DP CASE (213) !P4(1)32 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i)+0.5_DP outco(2,6,i)=-inco(1,i)+0.5_DP outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i)+0.5_DP outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i)+0.5_DP !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i)+0.5_DP outco(3,8,i)=-inco(2,i)+0.5_DP !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i)+0.5_DP outco(3,10,i)=-inco(1,i)+0.5_DP !S=11 outco(1,11,i)=inco(2,i)+0.5_DP outco(2,11,i)=-inco(3,i)+0.5_DP outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i)+0.5_DP outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i)+0.5_DP !S=13 outco(1,13,i)=inco(2,i)+0.75_DP outco(2,13,i)=inco(1,i)+0.25_DP outco(3,13,i)=-inco(3,i)+0.25_DP !S=14 outco(1,14,i)=-inco(2,i)+0.75_DP outco(2,14,i)=-inco(1,i)+0.75_DP outco(3,14,i)=-inco(3,i)+0.75_DP !S=15 outco(1,15,i)=inco(2,i)+0.25_DP outco(2,15,i)=-inco(1,i)+0.25_DP outco(3,15,i)=inco(3,i)+0.75_DP !S=16 outco(1,16,i)=-inco(2,i)+0.25_DP outco(2,16,i)=+inco(1,i)+0.75_DP outco(3,16,i)=+inco(3,i)+0.25_DP !S=17 outco(1,17,i)=+inco(1,i)+0.75_DP outco(2,17,i)=+inco(3,i)+0.25_DP outco(3,17,i)=-inco(2,i)+0.25_DP !S=18 outco(1,18,i)=-inco(1,i)+0.25_DP outco(2,18,i)=+inco(3,i)+0.75_DP outco(3,18,i)=+inco(2,i)+0.25_DP !S=19 outco(1,19,i)=-inco(1,i)+0.75_DP outco(2,19,i)=-inco(3,i)+0.75_DP outco(3,19,i)=-inco(2,i)+0.75_DP !S=20 outco(1,20,i)=inco(1,i)+0.25_DP outco(2,20,i)=-inco(3,i)+0.25_DP outco(3,20,i)=inco(2,i)+0.75_DP !S=21 outco(1,21,i)=inco(3,i)+0.75_DP outco(2,21,i)=inco(2,i)+0.25_DP outco(3,21,i)=-inco(1,i)+0.25_DP !S=22 outco(1,22,i)=inco(3,i)+0.25_DP outco(2,22,i)=-inco(2,i)+0.25_DP outco(3,22,i)=inco(1,i)+0.75_DP !S=23 outco(1,23,i)=-inco(3,i)+0.25_DP outco(2,23,i)=inco(2,i)+0.75_DP outco(3,23,i)=inco(1,i)+0.25_DP !S=24 outco(1,24,i)=-inco(3,i)+0.75_DP outco(2,24,i)=-inco(2,i)+0.75_DP outco(3,24,i)=-inco(1,i)+0.75_DP CASE (214) !I4(1)32 DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i)+0.5_DP outco(2,6,i)=-inco(1,i)+0.5_DP outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i)+0.5_DP outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i)+0.5_DP !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i)+0.5_DP outco(3,8,i)=-inco(2,i)+0.5_DP !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i)+0.5_DP outco(3,10,i)=-inco(1,i)+0.5_DP !S=11 outco(1,11,i)=inco(2,i)+0.5_DP outco(2,11,i)=-inco(3,i)+0.5_DP outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i)+0.5_DP outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i)+0.5_DP !S=13 outco(1,13,i)=inco(2,i)+0.75_DP outco(2,13,i)=inco(1,i)+0.25_DP outco(3,13,i)=-inco(3,i)+0.25_DP !S=14 outco(1,14,i)=-inco(2,i)+0.75_DP outco(2,14,i)=-inco(1,i)+0.75_DP outco(3,14,i)=-inco(3,i)+0.75_DP !S=15 outco(1,15,i)=inco(2,i)+0.25_DP outco(2,15,i)=-inco(1,i)+0.25_DP outco(3,15,i)=inco(3,i)+0.75_DP !S=16 outco(1,16,i)=-inco(2,i)+0.25_DP outco(2,16,i)=+inco(1,i)+0.75_DP outco(3,16,i)=+inco(3,i)+0.25_DP !S=17 outco(1,17,i)=+inco(1,i)+0.75_DP outco(2,17,i)=+inco(3,i)+0.25_DP outco(3,17,i)=-inco(2,i)+0.25_DP !S=18 outco(1,18,i)=-inco(1,i)+0.25_DP outco(2,18,i)=+inco(3,i)+0.75_DP outco(3,18,i)=+inco(2,i)+0.25_DP !S=19 outco(1,19,i)=-inco(1,i)+0.75_DP outco(2,19,i)=-inco(3,i)+0.75_DP outco(3,19,i)=-inco(2,i)+0.75_DP !S=20 outco(1,20,i)=inco(1,i)+0.25_DP outco(2,20,i)=-inco(3,i)+0.25_DP outco(3,20,i)=inco(2,i)+0.75_DP !S=21 outco(1,21,i)=inco(3,i)+0.75_DP outco(2,21,i)=inco(2,i)+0.25_DP outco(3,21,i)=-inco(1,i)+0.25_DP !S=22 outco(1,22,i)=inco(3,i)+0.25_DP outco(2,22,i)=-inco(2,i)+0.25_DP outco(3,22,i)=inco(1,i)+0.75_DP !S=23 outco(1,23,i)=-inco(3,i)+0.25_DP outco(2,23,i)=inco(2,i)+0.75_DP outco(3,23,i)=inco(1,i)+0.25_DP !S=24 outco(1,24,i)=-inco(3,i)+0.75_DP outco(2,24,i)=-inco(2,i)+0.75_DP outco(3,24,i)=-inco(1,i)+0.75_DP CASE (215) !P-43m DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=inco(2,i) outco(2,13,i)=inco(1,i) outco(3,13,i)=inco(3,i) !S=14 outco(1,14,i)=-inco(2,i) outco(2,14,i)=-inco(1,i) outco(3,14,i)=inco(3,i) !S=15 outco(1,15,i)=inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=-inco(3,i) !S=16 outco(1,16,i)=-inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=-inco(3,i) !S=17 outco(1,17,i)=+inco(1,i) outco(2,17,i)=+inco(3,i) outco(3,17,i)=inco(2,i) !S=18 outco(1,18,i)=-inco(1,i) outco(2,18,i)=+inco(3,i) outco(3,18,i)=-inco(2,i) !S=19 outco(1,19,i)=-inco(1,i) outco(2,19,i)=-inco(3,i) outco(3,19,i)=inco(2,i) !S=20 outco(1,20,i)=inco(1,i) outco(2,20,i)=-inco(3,i) outco(3,20,i)=-inco(2,i) !S=21 outco(1,21,i)=inco(3,i) outco(2,21,i)=inco(2,i) outco(3,21,i)=inco(1,i) !S=22 outco(1,22,i)=inco(3,i) outco(2,22,i)=-inco(2,i) outco(3,22,i)=-inco(1,i) !S=23 outco(1,23,i)=-inco(3,i) outco(2,23,i)=inco(2,i) outco(3,23,i)=-inco(1,i) !S=24 outco(1,24,i)=-inco(3,i) outco(2,24,i)=-inco(2,i) outco(3,24,i)=inco(1,i) CASE (216) !F-43m DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=inco(2,i) outco(2,13,i)=inco(1,i) outco(3,13,i)=inco(3,i) !S=14 outco(1,14,i)=-inco(2,i) outco(2,14,i)=-inco(1,i) outco(3,14,i)=inco(3,i) !S=15 outco(1,15,i)=inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=-inco(3,i) !S=16 outco(1,16,i)=-inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=-inco(3,i) !S=17 outco(1,17,i)=+inco(1,i) outco(2,17,i)=+inco(3,i) outco(3,17,i)=inco(2,i) !S=18 outco(1,18,i)=-inco(1,i) outco(2,18,i)=+inco(3,i) outco(3,18,i)=-inco(2,i) !S=19 outco(1,19,i)=-inco(1,i) outco(2,19,i)=-inco(3,i) outco(3,19,i)=inco(2,i) !S=20 outco(1,20,i)=inco(1,i) outco(2,20,i)=-inco(3,i) outco(3,20,i)=-inco(2,i) !S=21 outco(1,21,i)=inco(3,i) outco(2,21,i)=inco(2,i) outco(3,21,i)=inco(1,i) !S=22 outco(1,22,i)=inco(3,i) outco(2,22,i)=-inco(2,i) outco(3,22,i)=-inco(1,i) !S=23 outco(1,23,i)=-inco(3,i) outco(2,23,i)=inco(2,i) outco(3,23,i)=-inco(1,i) !S=24 outco(1,24,i)=-inco(3,i) outco(2,24,i)=-inco(2,i) outco(3,24,i)=inco(1,i) CASE (217) !I-43m DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=inco(2,i) outco(2,13,i)=inco(1,i) outco(3,13,i)=inco(3,i) !S=14 outco(1,14,i)=-inco(2,i) outco(2,14,i)=-inco(1,i) outco(3,14,i)=inco(3,i) !S=15 outco(1,15,i)=inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=-inco(3,i) !S=16 outco(1,16,i)=-inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=-inco(3,i) !S=17 outco(1,17,i)=+inco(1,i) outco(2,17,i)=+inco(3,i) outco(3,17,i)=inco(2,i) !S=18 outco(1,18,i)=-inco(1,i) outco(2,18,i)=+inco(3,i) outco(3,18,i)=-inco(2,i) !S=19 outco(1,19,i)=-inco(1,i) outco(2,19,i)=-inco(3,i) outco(3,19,i)=inco(2,i) !S=20 outco(1,20,i)=inco(1,i) outco(2,20,i)=-inco(3,i) outco(3,20,i)=-inco(2,i) !S=21 outco(1,21,i)=inco(3,i) outco(2,21,i)=inco(2,i) outco(3,21,i)=inco(1,i) !S=22 outco(1,22,i)=inco(3,i) outco(2,22,i)=-inco(2,i) outco(3,22,i)=-inco(1,i) !S=23 outco(1,23,i)=-inco(3,i) outco(2,23,i)=inco(2,i) outco(3,23,i)=-inco(1,i) !S=24 outco(1,24,i)=-inco(3,i) outco(2,24,i)=-inco(2,i) outco(3,24,i)=inco(1,i) CASE (218) !P-43n DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=inco(2,i)+0.5_DP outco(2,13,i)=inco(1,i)+0.5_DP outco(3,13,i)=inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(2,i)+0.5_DP outco(2,14,i)=-inco(1,i)+0.5_DP outco(3,14,i)=inco(3,i)+0.5_DP !S=15 outco(1,15,i)=inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=-inco(3,i)+0.5_DP !S=16 outco(1,16,i)=-inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=-inco(3,i)+0.5_DP !S=17 outco(1,17,i)=+inco(1,i)+0.5_DP outco(2,17,i)=+inco(3,i)+0.5_DP outco(3,17,i)=inco(2,i)+0.5_DP !S=18 outco(1,18,i)=-inco(1,i)+0.5_DP outco(2,18,i)=+inco(3,i)+0.5_DP outco(3,18,i)=-inco(2,i)+0.5_DP !S=19 outco(1,19,i)=-inco(1,i)+0.5_DP outco(2,19,i)=-inco(3,i)+0.5_DP outco(3,19,i)=inco(2,i)+0.5_DP !S=20 outco(1,20,i)=inco(1,i)+0.5_DP outco(2,20,i)=-inco(3,i)+0.5_DP outco(3,20,i)=-inco(2,i)+0.5_DP !S=21 outco(1,21,i)=inco(3,i)+0.5_DP outco(2,21,i)=inco(2,i)+0.5_DP outco(3,21,i)=inco(1,i)+0.5_DP !S=22 outco(1,22,i)=inco(3,i)+0.5_DP outco(2,22,i)=-inco(2,i)+0.5_DP outco(3,22,i)=-inco(1,i)+0.5_DP !S=23 outco(1,23,i)=-inco(3,i)+0.5_DP outco(2,23,i)=inco(2,i)+0.5_DP outco(3,23,i)=-inco(1,i)+0.5_DP !S=24 outco(1,24,i)=-inco(3,i)+0.5_DP outco(2,24,i)=-inco(2,i)+0.5_DP outco(3,24,i)=inco(1,i)+0.5_DP CASE (219) !F-43c DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=inco(2,i)+0.5_DP outco(2,13,i)=inco(1,i)+0.5_DP outco(3,13,i)=inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(2,i)+0.5_DP outco(2,14,i)=-inco(1,i)+0.5_DP outco(3,14,i)=inco(3,i)+0.5_DP !S=15 outco(1,15,i)=inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=-inco(3,i)+0.5_DP !S=16 outco(1,16,i)=-inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=-inco(3,i)+0.5_DP !S=17 outco(1,17,i)=+inco(1,i)+0.5_DP outco(2,17,i)=+inco(3,i)+0.5_DP outco(3,17,i)=inco(2,i)+0.5_DP !S=18 outco(1,18,i)=-inco(1,i)+0.5_DP outco(2,18,i)=+inco(3,i)+0.5_DP outco(3,18,i)=-inco(2,i)+0.5_DP !S=19 outco(1,19,i)=-inco(1,i)+0.5_DP outco(2,19,i)=-inco(3,i)+0.5_DP outco(3,19,i)=inco(2,i)+0.5_DP !S=20 outco(1,20,i)=inco(1,i)+0.5_DP outco(2,20,i)=-inco(3,i)+0.5_DP outco(3,20,i)=-inco(2,i)+0.5_DP !S=21 outco(1,21,i)=inco(3,i)+0.5_DP outco(2,21,i)=inco(2,i)+0.5_DP outco(3,21,i)=inco(1,i)+0.5_DP !S=22 outco(1,22,i)=inco(3,i)+0.5_DP outco(2,22,i)=-inco(2,i)+0.5_DP outco(3,22,i)=-inco(1,i)+0.5_DP !S=23 outco(1,23,i)=-inco(3,i)+0.5_DP outco(2,23,i)=inco(2,i)+0.5_DP outco(3,23,i)=-inco(1,i)+0.5_DP !S=24 outco(1,24,i)=-inco(3,i)+0.5_DP outco(2,24,i)=-inco(2,i)+0.5_DP outco(3,24,i)=inco(1,i)+0.5_DP CASE (220) !I-43d DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i)+0.5_DP outco(2,6,i)=-inco(1,i)+0.5_DP outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i)+0.5_DP outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i)+0.5_DP !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i)+0.5_DP outco(3,8,i)=-inco(2,i)+0.5_DP !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i)+0.5_DP outco(3,10,i)=-inco(1,i)+0.5_DP !S=11 outco(1,11,i)=inco(2,i)+0.5_DP outco(2,11,i)=-inco(3,i)+0.5_DP outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i)+0.5_DP outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i)+0.5_DP !S=13 outco(1,13,i)=inco(2,i)+0.25_DP outco(2,13,i)=inco(1,i)+0.25_DP outco(3,13,i)=inco(3,i)+0.25_DP !S=14 outco(1,14,i)=-inco(2,i)+0.25_DP outco(2,14,i)=-inco(1,i)+0.75_DP outco(3,14,i)=inco(3,i)+0.75_DP !S=15 outco(1,15,i)=inco(2,i)+0.75_DP outco(2,15,i)=-inco(1,i)+0.25_DP outco(3,15,i)=-inco(3,i)+0.75_DP !S=16 outco(1,16,i)=-inco(2,i)+0.75_DP outco(2,16,i)=+inco(1,i)+0.75_DP outco(3,16,i)=-inco(3,i)+0.25_DP !S=17 outco(1,17,i)=+inco(1,i)+0.25_DP outco(2,17,i)=+inco(3,i)+0.25_DP outco(3,17,i)=inco(2,i)+0.25_DP !S=18 outco(1,18,i)=-inco(1,i)+0.75_DP outco(2,18,i)=+inco(3,i)+0.75_DP outco(3,18,i)=-inco(2,i)+0.25_DP !S=19 outco(1,19,i)=-inco(1,i)+0.25_DP outco(2,19,i)=-inco(3,i)+0.75_DP outco(3,19,i)=inco(2,i)+0.75_DP !S=20 outco(1,20,i)=inco(1,i)+0.75_DP outco(2,20,i)=-inco(3,i)+0.25_DP outco(3,20,i)=-inco(2,i)+0.75_DP !S=21 outco(1,21,i)=inco(3,i)+0.25_DP outco(2,21,i)=inco(2,i)+0.25_DP outco(3,21,i)=inco(1,i)+0.25_DP !S=22 outco(1,22,i)=inco(3,i)+0.75_DP outco(2,22,i)=-inco(2,i)+0.25_DP outco(3,22,i)=-inco(1,i)+0.75_DP !S=23 outco(1,23,i)=-inco(3,i)+0.75_DP outco(2,23,i)=inco(2,i)+0.75_DP outco(3,23,i)=-inco(1,i)+0.25_DP !S=24 outco(1,24,i)=-inco(3,i)+0.25_DP outco(2,24,i)=-inco(2,i)+0.75_DP outco(3,24,i)=inco(1,i)+0.75_DP CASE (221) !Pm-3m DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=inco(2,i) outco(2,13,i)=inco(1,i) outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=-inco(2,i) outco(2,14,i)=-inco(1,i) outco(3,14,i)=-inco(3,i) !S=15 outco(1,15,i)=inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=inco(3,i) !S=16 outco(1,16,i)=-inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=inco(3,i) !S=17 outco(1,17,i)=+inco(1,i) outco(2,17,i)=+inco(3,i) outco(3,17,i)=-inco(2,i) !S=18 outco(1,18,i)=-inco(1,i) outco(2,18,i)=+inco(3,i) outco(3,18,i)=inco(2,i) !S=19 outco(1,19,i)=-inco(1,i) outco(2,19,i)=-inco(3,i) outco(3,19,i)=-inco(2,i) !S=20 outco(1,20,i)=inco(1,i) outco(2,20,i)=-inco(3,i) outco(3,20,i)=inco(2,i) !S=21 outco(1,21,i)=inco(3,i) outco(2,21,i)=inco(2,i) outco(3,21,i)=-inco(1,i) !S=22 outco(1,22,i)=inco(3,i) outco(2,22,i)=-inco(2,i) outco(3,22,i)=inco(1,i) !S=23 outco(1,23,i)=-inco(3,i) outco(2,23,i)=inco(2,i) outco(3,23,i)=inco(1,i) !S=24 outco(1,24,i)=-inco(3,i) outco(2,24,i)=-inco(2,i) outco(3,24,i)=-inco(1,i) !S=25 outco(1,25,i)=-inco(1,i) outco(2,25,i)=-inco(2,i) outco(3,25,i)=-inco(3,i) !S=26 outco(1,26,i)=inco(1,i) outco(2,26,i)=inco(2,i) outco(3,26,i)=-inco(3,i) !S=27 outco(1,27,i)=inco(1,i) outco(2,27,i)=-inco(2,i) outco(3,27,i)=inco(3,i) !S=28 outco(1,28,i)=-inco(1,i) outco(2,28,i)=inco(2,i) outco(3,28,i)=inco(3,i) !S=29 outco(1,29,i)=-inco(3,i) outco(2,29,i)=-inco(1,i) outco(3,29,i)=-inco(2,i) !S=30 outco(1,30,i)=-inco(3,i) outco(2,30,i)=inco(1,i) outco(3,30,i)=inco(2,i) !S=31 outco(1,31,i)=inco(3,i) outco(2,31,i)=inco(1,i) outco(3,31,i)=-inco(2,i) !S=32 outco(1,32,i)=inco(3,i) outco(2,32,i)=-inco(1,i) outco(3,32,i)=inco(2,i) !S=33 outco(1,33,i)=-inco(2,i) outco(2,33,i)=-inco(3,i) outco(3,33,i)=-inco(1,i) !S=34 outco(1,34,i)=inco(2,i) outco(2,34,i)=-inco(3,i) outco(3,34,i)=inco(1,i) !S=35 outco(1,35,i)=-inco(2,i) outco(2,35,i)=inco(3,i) outco(3,35,i)=inco(1,i) !S=36 outco(1,36,i)=inco(2,i) outco(2,36,i)=inco(3,i) outco(3,36,i)=-inco(1,i) !S=37 outco(1,37,i)=-inco(2,i) outco(2,37,i)=-inco(1,i) outco(3,37,i)=inco(3,i) !S=38 outco(1,38,i)=inco(2,i) outco(2,38,i)=inco(1,i) outco(3,38,i)=inco(3,i) !S=39 outco(1,39,i)=-inco(2,i) outco(2,39,i)=inco(1,i) outco(3,39,i)=-inco(3,i) !S=40 outco(1,40,i)=inco(2,i) outco(2,40,i)=-inco(1,i) outco(3,40,i)=-inco(3,i) !S=41 outco(1,41,i)=-inco(1,i) outco(2,41,i)=-inco(3,i) outco(3,41,i)=+inco(2,i) !S=42 outco(1,42,i)=inco(1,i) outco(2,42,i)=-inco(3,i) outco(3,42,i)=-inco(2,i) !S=43 outco(1,43,i)=inco(1,i) outco(2,43,i)=inco(3,i) outco(3,43,i)=inco(2,i) !S=44 outco(1,44,i)=-inco(1,i) outco(2,44,i)=+inco(3,i) outco(3,44,i)=-inco(2,i) !S=45 outco(1,45,i)=-inco(3,i) outco(2,45,i)=-inco(2,i) outco(3,45,i)=+inco(1,i) !S=46 outco(1,46,i)=-inco(3,i) outco(2,46,i)=inco(2,i) outco(3,46,i)=-inco(1,i) !S=47 outco(1,47,i)=inco(3,i) outco(2,47,i)=-inco(2,i) outco(3,47,i)=-inco(1,i) !S=48 outco(1,48,i)=inco(3,i) outco(2,48,i)=inco(2,i) outco(3,48,i)=inco(1,i) CASE (222) !Pn-3n IF (unique=='1') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=inco(2,i) outco(2,13,i)=inco(1,i) outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=-inco(2,i) outco(2,14,i)=-inco(1,i) outco(3,14,i)=-inco(3,i) !S=15 outco(1,15,i)=inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=inco(3,i) !S=16 outco(1,16,i)=-inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=inco(3,i) !S=17 outco(1,17,i)=+inco(1,i) outco(2,17,i)=+inco(3,i) outco(3,17,i)=-inco(2,i) !S=18 outco(1,18,i)=-inco(1,i) outco(2,18,i)=+inco(3,i) outco(3,18,i)=inco(2,i) !S=19 outco(1,19,i)=-inco(1,i) outco(2,19,i)=-inco(3,i) outco(3,19,i)=-inco(2,i) !S=20 outco(1,20,i)=inco(1,i) outco(2,20,i)=-inco(3,i) outco(3,20,i)=inco(2,i) !S=21 outco(1,21,i)=inco(3,i) outco(2,21,i)=inco(2,i) outco(3,21,i)=-inco(1,i) !S=22 outco(1,22,i)=inco(3,i) outco(2,22,i)=-inco(2,i) outco(3,22,i)=inco(1,i) !S=23 outco(1,23,i)=-inco(3,i) outco(2,23,i)=inco(2,i) outco(3,23,i)=inco(1,i) !S=24 outco(1,24,i)=-inco(3,i) outco(2,24,i)=-inco(2,i) outco(3,24,i)=-inco(1,i) !S=25 outco(1,25,i)=-inco(1,i)+0.5_DP outco(2,25,i)=-inco(2,i)+0.5_DP outco(3,25,i)=-inco(3,i)+0.5_DP !S=26 outco(1,26,i)=inco(1,i)+0.5_DP outco(2,26,i)=inco(2,i)+0.5_DP outco(3,26,i)=-inco(3,i)+0.5_DP !S=27 outco(1,27,i)=inco(1,i)+0.5_DP outco(2,27,i)=-inco(2,i)+0.5_DP outco(3,27,i)=inco(3,i)+0.5_DP !S=28 outco(1,28,i)=-inco(1,i)+0.5_DP outco(2,28,i)=inco(2,i)+0.5_DP outco(3,28,i)=inco(3,i)+0.5_DP !S=29 outco(1,29,i)=-inco(3,i)+0.5_DP outco(2,29,i)=-inco(1,i)+0.5_DP outco(3,29,i)=-inco(2,i)+0.5_DP !S=30 outco(1,30,i)=-inco(3,i)+0.5_DP outco(2,30,i)=inco(1,i)+0.5_DP outco(3,30,i)=inco(2,i)+0.5_DP !S=31 outco(1,31,i)=inco(3,i)+0.5_DP outco(2,31,i)=inco(1,i)+0.5_DP outco(3,31,i)=-inco(2,i)+0.5_DP !S=32 outco(1,32,i)=inco(3,i)+0.5_DP outco(2,32,i)=-inco(1,i)+0.5_DP outco(3,32,i)=inco(2,i)+0.5_DP !S=33 outco(1,33,i)=-inco(2,i)+0.5_DP outco(2,33,i)=-inco(3,i)+0.5_DP outco(3,33,i)=-inco(1,i)+0.5_DP !S=34 outco(1,34,i)=inco(2,i)+0.5_DP outco(2,34,i)=-inco(3,i)+0.5_DP outco(3,34,i)=inco(1,i)+0.5_DP !S=35 outco(1,35,i)=-inco(2,i)+0.5_DP outco(2,35,i)=inco(3,i)+0.5_DP outco(3,35,i)=inco(1,i)+0.5_DP !S=36 outco(1,36,i)=inco(2,i)+0.5_DP outco(2,36,i)=inco(3,i)+0.5_DP outco(3,36,i)=-inco(1,i)+0.5_DP !S=37 outco(1,37,i)=-inco(2,i)+0.5_DP outco(2,37,i)=-inco(1,i)+0.5_DP outco(3,37,i)=inco(3,i)+0.5_DP !S=38 outco(1,38,i)=inco(2,i)+0.5_DP outco(2,38,i)=inco(1,i)+0.5_DP outco(3,38,i)=inco(3,i)+0.5_DP !S=39 outco(1,39,i)=-inco(2,i)+0.5_DP outco(2,39,i)=inco(1,i)+0.5_DP outco(3,39,i)=-inco(3,i)+0.5_DP !S=40 outco(1,40,i)=inco(2,i)+0.5_DP outco(2,40,i)=-inco(1,i)+0.5_DP outco(3,40,i)=-inco(3,i)+0.5_DP !S=41 outco(1,41,i)=-inco(1,i)+0.5_DP outco(2,41,i)=-inco(3,i)+0.5_DP outco(3,41,i)=+inco(2,i)+0.5_DP !S=42 outco(1,42,i)=inco(1,i)+0.5_DP outco(2,42,i)=-inco(3,i)+0.5_DP outco(3,42,i)=-inco(2,i)+0.5_DP !S=43 outco(1,43,i)=inco(1,i)+0.5_DP outco(2,43,i)=inco(3,i)+0.5_DP outco(3,43,i)=inco(2,i)+0.5_DP !S=44 outco(1,44,i)=-inco(1,i)+0.5_DP outco(2,44,i)=+inco(3,i)+0.5_DP outco(3,44,i)=-inco(2,i)+0.5_DP !S=45 outco(1,45,i)=-inco(3,i)+0.5_DP outco(2,45,i)=-inco(2,i)+0.5_DP outco(3,45,i)=+inco(1,i)+0.5_DP !S=46 outco(1,46,i)=-inco(3,i)+0.5_DP outco(2,46,i)=inco(2,i)+0.5_DP outco(3,46,i)=-inco(1,i)+0.5_DP !S=47 outco(1,47,i)=inco(3,i)+0.5_DP outco(2,47,i)=-inco(2,i)+0.5_DP outco(3,47,i)=-inco(1,i)+0.5_DP !S=48 outco(1,48,i)=inco(3,i)+0.5_DP outco(2,48,i)=inco(2,i)+0.5_DP outco(3,48,i)=inco(1,i)+0.5_DP END IF IF (unique=='2') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+0.5_DP outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i)+0.5_DP outco(3,6,i)=-inco(2,i)+0.5_DP !S=7 outco(1,7,i)=-inco(3,i)+0.5_DP outco(2,7,i)=-inco(1,i)+0.5_DP outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i)+0.5_DP outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i)+0.5_DP !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i)+0.5_DP outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i)+0.5_DP !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i)+0.5_DP outco(3,11,i)=-inco(1,i)+0.5_DP !S=12 outco(1,12,i)=-inco(2,i)+0.5_DP outco(2,12,i)=-inco(3,i)+0.5_DP outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=inco(2,i) outco(2,13,i)=inco(1,i) outco(3,13,i)=-inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(2,i)+0.5_DP outco(2,14,i)=-inco(1,i)+0.5_DP outco(3,14,i)=-inco(3,i)+0.5_DP !S=15 outco(1,15,i)=inco(2,i) outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=inco(3,i) !S=16 outco(1,16,i)=-inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i) outco(3,16,i)=inco(3,i) !S=17 outco(1,17,i)=+inco(1,i) outco(2,17,i)=+inco(3,i) outco(3,17,i)=-inco(2,i)+0.5_DP !S=18 outco(1,18,i)=-inco(1,i)+0.5_DP outco(2,18,i)=+inco(3,i) outco(3,18,i)=inco(2,i) !S=19 outco(1,19,i)=-inco(1,i)+0.5_DP outco(2,19,i)=-inco(3,i)+0.5_DP outco(3,19,i)=-inco(2,i)+0.5_DP !S=20 outco(1,20,i)=inco(1,i) outco(2,20,i)=-inco(3,i)+0.5_DP outco(3,20,i)=inco(2,i) !S=21 outco(1,21,i)=inco(3,i) outco(2,21,i)=inco(2,i) outco(3,21,i)=-inco(1,i)+0.5_DP !S=22 outco(1,22,i)=inco(3,i) outco(2,22,i)=-inco(2,i)+0.5_DP outco(3,22,i)=inco(1,i) !S=23 outco(1,23,i)=-inco(3,i)+0.5_DP outco(2,23,i)=inco(2,i) outco(3,23,i)=inco(1,i) !S=24 outco(1,24,i)=-inco(3,i)+0.5_DP outco(2,24,i)=-inco(2,i)+0.5_DP outco(3,24,i)=-inco(1,i)+0.5_DP !S=25 outco(1,25,i)=-inco(1,i) outco(2,25,i)=-inco(2,i) outco(3,25,i)=-inco(3,i) !S=26 outco(1,26,i)=inco(1,i)+0.5_DP outco(2,26,i)=inco(2,i)+0.5_DP outco(3,26,i)=-inco(3,i) !S=27 outco(1,27,i)=inco(1,i)+0.5_DP outco(2,27,i)=-inco(2,i) outco(3,27,i)=inco(3,i)+0.5_DP !S=28 outco(1,28,i)=-inco(1,i) outco(2,28,i)=inco(2,i)+0.5_DP outco(3,28,i)=inco(3,i)+0.5_DP !S=29 outco(1,29,i)=-inco(3,i) outco(2,29,i)=-inco(1,i) outco(3,29,i)=-inco(2,i) !S=30 outco(1,30,i)=-inco(3,i) outco(2,30,i)=inco(1,i)+0.5_DP outco(3,30,i)=inco(2,i)+0.5_DP !S=31 outco(1,31,i)=inco(3,i)+0.5_DP outco(2,31,i)=inco(1,i)+0.5_DP outco(3,31,i)=-inco(2,i) !S=32 outco(1,32,i)=inco(3,i)+0.5_DP outco(2,32,i)=-inco(1,i) outco(3,32,i)=inco(2,i)+0.5_DP !S=33 outco(1,33,i)=-inco(2,i) outco(2,33,i)=-inco(3,i) outco(3,33,i)=-inco(1,i) !S=34 outco(1,34,i)=inco(2,i)+0.5_DP outco(2,34,i)=-inco(3,i) outco(3,34,i)=inco(1,i)+0.5_DP !S=35 outco(1,35,i)=-inco(2,i) outco(2,35,i)=inco(3,i)+0.5_DP outco(3,35,i)=inco(1,i)+0.5_DP !S=36 outco(1,36,i)=inco(2,i)+0.5_DP outco(2,36,i)=inco(3,i)+0.5_DP outco(3,36,i)=-inco(1,i) !S=37 outco(1,37,i)=-inco(2,i) outco(2,37,i)=-inco(1,i) outco(3,37,i)=inco(3,i)+0.5_DP !S=38 outco(1,38,i)=inco(2,i)+0.5_DP outco(2,38,i)=inco(1,i)+0.5_DP outco(3,38,i)=inco(3,i)+0.5_DP !S=39 outco(1,39,i)=-inco(2,i) outco(2,39,i)=inco(1,i)+0.5_DP outco(3,39,i)=-inco(3,i) !S=40 outco(1,40,i)=inco(2,i)+0.5_DP outco(2,40,i)=-inco(1,i) outco(3,40,i)=-inco(3,i) !S=41 outco(1,41,i)=-inco(1,i) outco(2,41,i)=-inco(3,i) outco(3,41,i)=+inco(2,i)+0.5_DP !S=42 outco(1,42,i)=inco(1,i)+0.5_DP outco(2,42,i)=-inco(3,i) outco(3,42,i)=-inco(2,i) !S=43 outco(1,43,i)=inco(1,i)+0.5_DP outco(2,43,i)=inco(3,i)+0.5_DP outco(3,43,i)=inco(2,i)+0.5_DP !S=44 outco(1,44,i)=-inco(1,i) outco(2,44,i)=+inco(3,i)+0.5_DP outco(3,44,i)=-inco(2,i) !S=45 outco(1,45,i)=-inco(3,i) outco(2,45,i)=-inco(2,i) outco(3,45,i)=+inco(1,i)+0.5_DP !S=46 outco(1,46,i)=-inco(3,i) outco(2,46,i)=inco(2,i)+0.5_DP outco(3,46,i)=-inco(1,i) !S=47 outco(1,47,i)=inco(3,i)+0.5_DP outco(2,47,i)=-inco(2,i) outco(3,47,i)=-inco(1,i) !S=48 outco(1,48,i)=inco(3,i)+0.5_DP outco(2,48,i)=inco(2,i)+0.5_DP outco(3,48,i)=inco(1,i)+0.5_DP END IF CASE (223) !Pm-3n DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=inco(2,i)+0.5_DP outco(2,13,i)=inco(1,i)+0.5_DP outco(3,13,i)=-inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(2,i)+0.5_DP outco(2,14,i)=-inco(1,i)+0.5_DP outco(3,14,i)=-inco(3,i)+0.5_DP !S=15 outco(1,15,i)=inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=inco(3,i)+0.5_DP !S=16 outco(1,16,i)=-inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=inco(3,i)+0.5_DP !S=17 outco(1,17,i)=+inco(1,i)+0.5_DP outco(2,17,i)=+inco(3,i)+0.5_DP outco(3,17,i)=-inco(2,i)+0.5_DP !S=18 outco(1,18,i)=-inco(1,i)+0.5_DP outco(2,18,i)=+inco(3,i)+0.5_DP outco(3,18,i)=inco(2,i)+0.5_DP !S=19 outco(1,19,i)=-inco(1,i)+0.5_DP outco(2,19,i)=-inco(3,i)+0.5_DP outco(3,19,i)=-inco(2,i)+0.5_DP !S=20 outco(1,20,i)=inco(1,i)+0.5_DP outco(2,20,i)=-inco(3,i)+0.5_DP outco(3,20,i)=inco(2,i)+0.5_DP !S=21 outco(1,21,i)=inco(3,i)+0.5_DP outco(2,21,i)=inco(2,i)+0.5_DP outco(3,21,i)=-inco(1,i)+0.5_DP !S=22 outco(1,22,i)=inco(3,i)+0.5_DP outco(2,22,i)=-inco(2,i)+0.5_DP outco(3,22,i)=inco(1,i)+0.5_DP !S=23 outco(1,23,i)=-inco(3,i)+0.5_DP outco(2,23,i)=inco(2,i)+0.5_DP outco(3,23,i)=inco(1,i)+0.5_DP !S=24 outco(1,24,i)=-inco(3,i)+0.5_DP outco(2,24,i)=-inco(2,i)+0.5_DP outco(3,24,i)=-inco(1,i)+0.5_DP !S=25 outco(1,25,i)=-inco(1,i) outco(2,25,i)=-inco(2,i) outco(3,25,i)=-inco(3,i) !S=26 outco(1,26,i)=inco(1,i) outco(2,26,i)=inco(2,i) outco(3,26,i)=-inco(3,i) !S=27 outco(1,27,i)=inco(1,i) outco(2,27,i)=-inco(2,i) outco(3,27,i)=inco(3,i) !S=28 outco(1,28,i)=-inco(1,i) outco(2,28,i)=inco(2,i) outco(3,28,i)=inco(3,i) !S=29 outco(1,29,i)=-inco(3,i) outco(2,29,i)=-inco(1,i) outco(3,29,i)=-inco(2,i) !S=30 outco(1,30,i)=-inco(3,i) outco(2,30,i)=inco(1,i) outco(3,30,i)=inco(2,i) !S=31 outco(1,31,i)=inco(3,i) outco(2,31,i)=inco(1,i) outco(3,31,i)=-inco(2,i) !S=32 outco(1,32,i)=inco(3,i) outco(2,32,i)=-inco(1,i) outco(3,32,i)=inco(2,i) !S=33 outco(1,33,i)=-inco(2,i) outco(2,33,i)=-inco(3,i) outco(3,33,i)=-inco(1,i) !S=34 outco(1,34,i)=inco(2,i) outco(2,34,i)=-inco(3,i) outco(3,34,i)=inco(1,i) !S=35 outco(1,35,i)=-inco(2,i) outco(2,35,i)=inco(3,i) outco(3,35,i)=inco(1,i) !S=36 outco(1,36,i)=inco(2,i) outco(2,36,i)=inco(3,i) outco(3,36,i)=-inco(1,i) !S=37 outco(1,37,i)=-inco(2,i)+0.5_DP outco(2,37,i)=-inco(1,i)+0.5_DP outco(3,37,i)=inco(3,i)+0.5_DP !S=38 outco(1,38,i)=inco(2,i)+0.5_DP outco(2,38,i)=inco(1,i)+0.5_DP outco(3,38,i)=inco(3,i)+0.5_DP !S=39 outco(1,39,i)=-inco(2,i)+0.5_DP outco(2,39,i)=inco(1,i)+0.5_DP outco(3,39,i)=-inco(3,i)+0.5_DP !S=40 outco(1,40,i)=inco(2,i)+0.5_DP outco(2,40,i)=-inco(1,i)+0.5_DP outco(3,40,i)=-inco(3,i)+0.5_DP !S=41 outco(1,41,i)=-inco(1,i)+0.5_DP outco(2,41,i)=-inco(3,i)+0.5_DP outco(3,41,i)=+inco(2,i)+0.5_DP !S=42 outco(1,42,i)=inco(1,i)+0.5_DP outco(2,42,i)=-inco(3,i)+0.5_DP outco(3,42,i)=-inco(2,i)+0.5_DP !S=43 outco(1,43,i)=inco(1,i)+0.5_DP outco(2,43,i)=inco(3,i)+0.5_DP outco(3,43,i)=inco(2,i)+0.5_DP !S=44 outco(1,44,i)=-inco(1,i)+0.5_DP outco(2,44,i)=+inco(3,i)+0.5_DP outco(3,44,i)=-inco(2,i)+0.5_DP !S=45 outco(1,45,i)=-inco(3,i)+0.5_DP outco(2,45,i)=-inco(2,i)+0.5_DP outco(3,45,i)=+inco(1,i)+0.5_DP !S=46 outco(1,46,i)=-inco(3,i)+0.5_DP outco(2,46,i)=inco(2,i)+0.5_DP outco(3,46,i)=-inco(1,i)+0.5_DP !S=47 outco(1,47,i)=inco(3,i)+0.5_DP outco(2,47,i)=-inco(2,i)+0.5_DP outco(3,47,i)=-inco(1,i)+0.5_DP !S=48 outco(1,48,i)=inco(3,i)+0.5_DP outco(2,48,i)=inco(2,i)+0.5_DP outco(3,48,i)=inco(1,i)+0.5_DP CASE (224) !Pn-3m IF (unique=='1') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=inco(2,i)+0.5_DP outco(2,13,i)=inco(1,i)+0.5_DP outco(3,13,i)=-inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(2,i)+0.5_DP outco(2,14,i)=-inco(1,i)+0.5_DP outco(3,14,i)=-inco(3,i)+0.5_DP !S=15 outco(1,15,i)=inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=inco(3,i)+0.5_DP !S=16 outco(1,16,i)=-inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=inco(3,i)+0.5_DP !S=17 outco(1,17,i)=+inco(1,i)+0.5_DP outco(2,17,i)=+inco(3,i)+0.5_DP outco(3,17,i)=-inco(2,i)+0.5_DP !S=18 outco(1,18,i)=-inco(1,i)+0.5_DP outco(2,18,i)=+inco(3,i)+0.5_DP outco(3,18,i)=inco(2,i)+0.5_DP !S=19 outco(1,19,i)=-inco(1,i)+0.5_DP outco(2,19,i)=-inco(3,i)+0.5_DP outco(3,19,i)=-inco(2,i)+0.5_DP !S=20 outco(1,20,i)=inco(1,i)+0.5_DP outco(2,20,i)=-inco(3,i)+0.5_DP outco(3,20,i)=inco(2,i)+0.5_DP !S=21 outco(1,21,i)=inco(3,i)+0.5_DP outco(2,21,i)=inco(2,i)+0.5_DP outco(3,21,i)=-inco(1,i)+0.5_DP !S=22 outco(1,22,i)=inco(3,i)+0.5_DP outco(2,22,i)=-inco(2,i)+0.5_DP outco(3,22,i)=inco(1,i)+0.5_DP !S=23 outco(1,23,i)=-inco(3,i)+0.5_DP outco(2,23,i)=inco(2,i)+0.5_DP outco(3,23,i)=inco(1,i)+0.5_DP !S=24 outco(1,24,i)=-inco(3,i)+0.5_DP outco(2,24,i)=-inco(2,i)+0.5_DP outco(3,24,i)=-inco(1,i)+0.5_DP !S=25 outco(1,25,i)=-inco(1,i)+0.5_DP outco(2,25,i)=-inco(2,i)+0.5_DP outco(3,25,i)=-inco(3,i)+0.5_DP !S=26 outco(1,26,i)=inco(1,i)+0.5_DP outco(2,26,i)=inco(2,i)+0.5_DP outco(3,26,i)=-inco(3,i)+0.5_DP !S=27 outco(1,27,i)=inco(1,i)+0.5_DP outco(2,27,i)=-inco(2,i)+0.5_DP outco(3,27,i)=inco(3,i)+0.5_DP !S=28 outco(1,28,i)=-inco(1,i)+0.5_DP outco(2,28,i)=inco(2,i)+0.5_DP outco(3,28,i)=inco(3,i)+0.5_DP !S=29 outco(1,29,i)=-inco(3,i)+0.5_DP outco(2,29,i)=-inco(1,i)+0.5_DP outco(3,29,i)=-inco(2,i)+0.5_DP !S=30 outco(1,30,i)=-inco(3,i)+0.5_DP outco(2,30,i)=inco(1,i)+0.5_DP outco(3,30,i)=inco(2,i)+0.5_DP !S=31 outco(1,31,i)=inco(3,i)+0.5_DP outco(2,31,i)=inco(1,i)+0.5_DP outco(3,31,i)=-inco(2,i)+0.5_DP !S=32 outco(1,32,i)=inco(3,i)+0.5_DP outco(2,32,i)=-inco(1,i)+0.5_DP outco(3,32,i)=inco(2,i)+0.5_DP !S=33 outco(1,33,i)=-inco(2,i)+0.5_DP outco(2,33,i)=-inco(3,i)+0.5_DP outco(3,33,i)=-inco(1,i)+0.5_DP !S=34 outco(1,34,i)=inco(2,i)+0.5_DP outco(2,34,i)=-inco(3,i)+0.5_DP outco(3,34,i)=inco(1,i)+0.5_DP !S=35 outco(1,35,i)=-inco(2,i)+0.5_DP outco(2,35,i)=inco(3,i)+0.5_DP outco(3,35,i)=inco(1,i)+0.5_DP !S=36 outco(1,36,i)=inco(2,i)+0.5_DP outco(2,36,i)=inco(3,i)+0.5_DP outco(3,36,i)=-inco(1,i)+0.5_DP !S=37 outco(1,37,i)=-inco(2,i) outco(2,37,i)=-inco(1,i) outco(3,37,i)=inco(3,i) !S=38 outco(1,38,i)=inco(2,i) outco(2,38,i)=inco(1,i) outco(3,38,i)=inco(3,i) !S=39 outco(1,39,i)=-inco(2,i) outco(2,39,i)=inco(1,i) outco(3,39,i)=-inco(3,i) !S=40 outco(1,40,i)=inco(2,i) outco(2,40,i)=-inco(1,i) outco(3,40,i)=-inco(3,i) !S=41 outco(1,41,i)=-inco(1,i) outco(2,41,i)=-inco(3,i) outco(3,41,i)=+inco(2,i) !S=42 outco(1,42,i)=inco(1,i) outco(2,42,i)=-inco(3,i) outco(3,42,i)=-inco(2,i) !S=43 outco(1,43,i)=inco(1,i) outco(2,43,i)=inco(3,i) outco(3,43,i)=inco(2,i) !S=44 outco(1,44,i)=-inco(1,i) outco(2,44,i)=+inco(3,i) outco(3,44,i)=-inco(2,i) !S=45 outco(1,45,i)=-inco(3,i) outco(2,45,i)=-inco(2,i) outco(3,45,i)=+inco(1,i) !S=46 outco(1,46,i)=-inco(3,i) outco(2,46,i)=inco(2,i) outco(3,46,i)=-inco(1,i) !S=47 outco(1,47,i)=inco(3,i) outco(2,47,i)=-inco(2,i) outco(3,47,i)=-inco(1,i) !S=48 outco(1,48,i)=inco(3,i) outco(2,48,i)=inco(2,i) outco(3,48,i)=inco(1,i) END IF IF (unique=='2') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i)+0.5_DP outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i)+0.5_DP outco(3,6,i)=-inco(2,i)+0.5_DP !S=7 outco(1,7,i)=-inco(3,i)+0.5_DP outco(2,7,i)=-inco(1,i)+0.5_DP outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i)+0.5_DP outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i)+0.5_DP !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i)+0.5_DP outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i)+0.5_DP !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i)+0.5_DP outco(3,11,i)=-inco(1,i)+0.5_DP !S=12 outco(1,12,i)=-inco(2,i)+0.5_DP outco(2,12,i)=-inco(3,i)+0.5_DP outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=inco(2,i)+0.5_DP outco(2,13,i)=inco(1,i)+0.5_DP outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=-inco(2,i) outco(2,14,i)=-inco(1,i) outco(3,14,i)=-inco(3,i) !S=15 outco(1,15,i)=inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i) outco(3,15,i)=inco(3,i)+0.5_DP !S=16 outco(1,16,i)=-inco(2,i) outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=inco(3,i)+0.5_DP !S=17 outco(1,17,i)=+inco(1,i)+0.5_DP outco(2,17,i)=+inco(3,i)+0.5_DP outco(3,17,i)=-inco(2,i) !S=18 outco(1,18,i)=-inco(1,i) outco(2,18,i)=+inco(3,i)+0.5_DP outco(3,18,i)=inco(2,i)+0.5_DP !S=19 outco(1,19,i)=-inco(1,i) outco(2,19,i)=-inco(3,i) outco(3,19,i)=-inco(2,i) !S=20 outco(1,20,i)=inco(1,i)+0.5_DP outco(2,20,i)=-inco(3,i) outco(3,20,i)=inco(2,i)+0.5_DP !S=21 outco(1,21,i)=inco(3,i)+0.5_DP outco(2,21,i)=inco(2,i)+0.5_DP outco(3,21,i)=-inco(1,i) !S=22 outco(1,22,i)=inco(3,i)+0.5_DP outco(2,22,i)=-inco(2,i) outco(3,22,i)=inco(1,i)+0.5_DP !S=23 outco(1,23,i)=-inco(3,i) outco(2,23,i)=inco(2,i)+0.5_DP outco(3,23,i)=inco(1,i)+0.5_DP !S=24 outco(1,24,i)=-inco(3,i) outco(2,24,i)=-inco(2,i) outco(3,24,i)=-inco(1,i) !S=25 outco(1,25,i)=-inco(1,i) outco(2,25,i)=-inco(2,i) outco(3,25,i)=-inco(3,i) !S=26 outco(1,26,i)=inco(1,i)+0.5_DP outco(2,26,i)=inco(2,i)+0.5_DP outco(3,26,i)=-inco(3,i) !S=27 outco(1,27,i)=inco(1,i)+0.5_DP outco(2,27,i)=-inco(2,i) outco(3,27,i)=inco(3,i)+0.5_DP !S=28 outco(1,28,i)=-inco(1,i) outco(2,28,i)=inco(2,i)+0.5_DP outco(3,28,i)=inco(3,i)+0.5_DP !S=29 outco(1,29,i)=-inco(3,i) outco(2,29,i)=-inco(1,i) outco(3,29,i)=-inco(2,i) !S=30 outco(1,30,i)=-inco(3,i) outco(2,30,i)=inco(1,i)+0.5_DP outco(3,30,i)=inco(2,i)+0.5_DP !S=31 outco(1,31,i)=inco(3,i)+0.5_DP outco(2,31,i)=inco(1,i)+0.5_DP outco(3,31,i)=-inco(2,i) !S=32 outco(1,32,i)=inco(3,i)+0.5_DP outco(2,32,i)=-inco(1,i) outco(3,32,i)=inco(2,i)+0.5_DP !S=33 outco(1,33,i)=-inco(2,i) outco(2,33,i)=-inco(3,i) outco(3,33,i)=-inco(1,i) !S=34 outco(1,34,i)=inco(2,i)+0.5_DP outco(2,34,i)=-inco(3,i) outco(3,34,i)=inco(1,i)+0.5_DP !S=35 outco(1,35,i)=-inco(2,i) outco(2,35,i)=inco(3,i)+0.5_DP outco(3,35,i)=inco(1,i)+0.5_DP !S=36 outco(1,36,i)=inco(2,i)+0.5_DP outco(2,36,i)=inco(3,i)+0.5_DP outco(3,36,i)=-inco(1,i) !S=37 outco(1,37,i)=-inco(2,i)+0.5_DP outco(2,37,i)=-inco(1,i)+0.5_DP outco(3,37,i)=inco(3,i) !S=38 outco(1,38,i)=inco(2,i) outco(2,38,i)=inco(1,i) outco(3,38,i)=inco(3,i) !S=39 outco(1,39,i)=-inco(2,i)+0.5_DP outco(2,39,i)=inco(1,i) outco(3,39,i)=-inco(3,i)+0.5_DP !S=40 outco(1,40,i)=inco(2,i) outco(2,40,i)=-inco(1,i)+0.5_DP outco(3,40,i)=-inco(3,i)+0.5_DP !S=41 outco(1,41,i)=-inco(1,i)+0.5_DP outco(2,41,i)=-inco(3,i)+0.5_DP outco(3,41,i)=+inco(2,i) !S=42 outco(1,42,i)=inco(1,i) outco(2,42,i)=-inco(3,i)+0.5_DP outco(3,42,i)=-inco(2,i)+0.5_DP !S=43 outco(1,43,i)=inco(1,i) outco(2,43,i)=inco(3,i) outco(3,43,i)=inco(2,i) !S=44 outco(1,44,i)=-inco(1,i)+0.5_DP outco(2,44,i)=+inco(3,i) outco(3,44,i)=-inco(2,i)+0.5_DP !S=45 outco(1,45,i)=-inco(3,i)+0.5_DP outco(2,45,i)=-inco(2,i)+0.5_DP outco(3,45,i)=+inco(1,i) !S=46 outco(1,46,i)=-inco(3,i)+0.5_DP outco(2,46,i)=inco(2,i) outco(3,46,i)=-inco(1,i)+0.5_DP !S=47 outco(1,47,i)=inco(3,i) outco(2,47,i)=-inco(2,i)+0.5_DP outco(3,47,i)=-inco(1,i)+0.5_DP !S=48 outco(1,48,i)=inco(3,i) outco(2,48,i)=inco(2,i) outco(3,48,i)=inco(1,i) END IF CASE (225) !Fm-3m DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=inco(2,i) outco(2,13,i)=inco(1,i) outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=-inco(2,i) outco(2,14,i)=-inco(1,i) outco(3,14,i)=-inco(3,i) !S=15 outco(1,15,i)=inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=inco(3,i) !S=16 outco(1,16,i)=-inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=inco(3,i) !S=17 outco(1,17,i)=+inco(1,i) outco(2,17,i)=+inco(3,i) outco(3,17,i)=-inco(2,i) !S=18 outco(1,18,i)=-inco(1,i) outco(2,18,i)=+inco(3,i) outco(3,18,i)=inco(2,i) !S=19 outco(1,19,i)=-inco(1,i) outco(2,19,i)=-inco(3,i) outco(3,19,i)=-inco(2,i) !S=20 outco(1,20,i)=inco(1,i) outco(2,20,i)=-inco(3,i) outco(3,20,i)=inco(2,i) !S=21 outco(1,21,i)=inco(3,i) outco(2,21,i)=inco(2,i) outco(3,21,i)=-inco(1,i) !S=22 outco(1,22,i)=inco(3,i) outco(2,22,i)=-inco(2,i) outco(3,22,i)=inco(1,i) !S=23 outco(1,23,i)=-inco(3,i) outco(2,23,i)=inco(2,i) outco(3,23,i)=inco(1,i) !S=24 outco(1,24,i)=-inco(3,i) outco(2,24,i)=-inco(2,i) outco(3,24,i)=-inco(1,i) !S=25 outco(1,25,i)=-inco(1,i) outco(2,25,i)=-inco(2,i) outco(3,25,i)=-inco(3,i) !S=26 outco(1,26,i)=inco(1,i) outco(2,26,i)=inco(2,i) outco(3,26,i)=-inco(3,i) !S=27 outco(1,27,i)=inco(1,i) outco(2,27,i)=-inco(2,i) outco(3,27,i)=inco(3,i) !S=28 outco(1,28,i)=-inco(1,i) outco(2,28,i)=inco(2,i) outco(3,28,i)=inco(3,i) !S=29 outco(1,29,i)=-inco(3,i) outco(2,29,i)=-inco(1,i) outco(3,29,i)=-inco(2,i) !S=30 outco(1,30,i)=-inco(3,i) outco(2,30,i)=inco(1,i) outco(3,30,i)=inco(2,i) !S=31 outco(1,31,i)=inco(3,i) outco(2,31,i)=inco(1,i) outco(3,31,i)=-inco(2,i) !S=32 outco(1,32,i)=inco(3,i) outco(2,32,i)=-inco(1,i) outco(3,32,i)=inco(2,i) !S=33 outco(1,33,i)=-inco(2,i) outco(2,33,i)=-inco(3,i) outco(3,33,i)=-inco(1,i) !S=34 outco(1,34,i)=inco(2,i) outco(2,34,i)=-inco(3,i) outco(3,34,i)=inco(1,i) !S=35 outco(1,35,i)=-inco(2,i) outco(2,35,i)=inco(3,i) outco(3,35,i)=inco(1,i) !S=36 outco(1,36,i)=inco(2,i) outco(2,36,i)=inco(3,i) outco(3,36,i)=-inco(1,i) !S=37 outco(1,37,i)=-inco(2,i) outco(2,37,i)=-inco(1,i) outco(3,37,i)=inco(3,i) !S=38 outco(1,38,i)=inco(2,i) outco(2,38,i)=inco(1,i) outco(3,38,i)=inco(3,i) !S=39 outco(1,39,i)=-inco(2,i) outco(2,39,i)=inco(1,i) outco(3,39,i)=-inco(3,i) !S=40 outco(1,40,i)=inco(2,i) outco(2,40,i)=-inco(1,i) outco(3,40,i)=-inco(3,i) !S=41 outco(1,41,i)=-inco(1,i) outco(2,41,i)=-inco(3,i) outco(3,41,i)=+inco(2,i) !S=42 outco(1,42,i)=inco(1,i) outco(2,42,i)=-inco(3,i) outco(3,42,i)=-inco(2,i) !S=43 outco(1,43,i)=inco(1,i) outco(2,43,i)=inco(3,i) outco(3,43,i)=inco(2,i) !S=44 outco(1,44,i)=-inco(1,i) outco(2,44,i)=+inco(3,i) outco(3,44,i)=-inco(2,i) !S=45 outco(1,45,i)=-inco(3,i) outco(2,45,i)=-inco(2,i) outco(3,45,i)=+inco(1,i) !S=46 outco(1,46,i)=-inco(3,i) outco(2,46,i)=inco(2,i) outco(3,46,i)=-inco(1,i) !S=47 outco(1,47,i)=inco(3,i) outco(2,47,i)=-inco(2,i) outco(3,47,i)=-inco(1,i) !S=48 outco(1,48,i)=inco(3,i) outco(2,48,i)=inco(2,i) outco(3,48,i)=inco(1,i) CASE (226) !Fm-3c DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=inco(2,i)+0.5_DP outco(2,13,i)=inco(1,i)+0.5_DP outco(3,13,i)=-inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(2,i)+0.5_DP outco(2,14,i)=-inco(1,i)+0.5_DP outco(3,14,i)=-inco(3,i)+0.5_DP !S=15 outco(1,15,i)=inco(2,i)+0.5_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=inco(3,i)+0.5_DP !S=16 outco(1,16,i)=-inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.5_DP outco(3,16,i)=inco(3,i)+0.5_DP !S=17 outco(1,17,i)=+inco(1,i)+0.5_DP outco(2,17,i)=+inco(3,i)+0.5_DP outco(3,17,i)=-inco(2,i)+0.5_DP !S=18 outco(1,18,i)=-inco(1,i)+0.5_DP outco(2,18,i)=+inco(3,i)+0.5_DP outco(3,18,i)=inco(2,i)+0.5_DP !S=19 outco(1,19,i)=-inco(1,i)+0.5_DP outco(2,19,i)=-inco(3,i)+0.5_DP outco(3,19,i)=-inco(2,i)+0.5_DP !S=20 outco(1,20,i)=inco(1,i)+0.5_DP outco(2,20,i)=-inco(3,i)+0.5_DP outco(3,20,i)=inco(2,i)+0.5_DP !S=21 outco(1,21,i)=inco(3,i)+0.5_DP outco(2,21,i)=inco(2,i)+0.5_DP outco(3,21,i)=-inco(1,i)+0.5_DP !S=22 outco(1,22,i)=inco(3,i)+0.5_DP outco(2,22,i)=-inco(2,i)+0.5_DP outco(3,22,i)=inco(1,i)+0.5_DP !S=23 outco(1,23,i)=-inco(3,i)+0.5_DP outco(2,23,i)=inco(2,i)+0.5_DP outco(3,23,i)=inco(1,i)+0.5_DP !S=24 outco(1,24,i)=-inco(3,i)+0.5_DP outco(2,24,i)=-inco(2,i)+0.5_DP outco(3,24,i)=-inco(1,i)+0.5_DP !S=25 outco(1,25,i)=-inco(1,i) outco(2,25,i)=-inco(2,i) outco(3,25,i)=-inco(3,i) !S=26 outco(1,26,i)=inco(1,i) outco(2,26,i)=inco(2,i) outco(3,26,i)=-inco(3,i) !S=27 outco(1,27,i)=inco(1,i) outco(2,27,i)=-inco(2,i) outco(3,27,i)=inco(3,i) !S=28 outco(1,28,i)=-inco(1,i) outco(2,28,i)=inco(2,i) outco(3,28,i)=inco(3,i) !S=29 outco(1,29,i)=-inco(3,i) outco(2,29,i)=-inco(1,i) outco(3,29,i)=-inco(2,i) !S=30 outco(1,30,i)=-inco(3,i) outco(2,30,i)=inco(1,i) outco(3,30,i)=inco(2,i) !S=31 outco(1,31,i)=inco(3,i) outco(2,31,i)=inco(1,i) outco(3,31,i)=-inco(2,i) !S=32 outco(1,32,i)=inco(3,i) outco(2,32,i)=-inco(1,i) outco(3,32,i)=inco(2,i) !S=33 outco(1,33,i)=-inco(2,i) outco(2,33,i)=-inco(3,i) outco(3,33,i)=-inco(1,i) !S=34 outco(1,34,i)=inco(2,i) outco(2,34,i)=-inco(3,i) outco(3,34,i)=inco(1,i) !S=35 outco(1,35,i)=-inco(2,i) outco(2,35,i)=inco(3,i) outco(3,35,i)=inco(1,i) !S=36 outco(1,36,i)=inco(2,i) outco(2,36,i)=inco(3,i) outco(3,36,i)=-inco(1,i) !S=37 outco(1,37,i)=-inco(2,i)+0.5_DP outco(2,37,i)=-inco(1,i)+0.5_DP outco(3,37,i)=inco(3,i)+0.5_DP !S=38 outco(1,38,i)=inco(2,i)+0.5_DP outco(2,38,i)=inco(1,i)+0.5_DP outco(3,38,i)=inco(3,i)+0.5_DP !S=39 outco(1,39,i)=-inco(2,i)+0.5_DP outco(2,39,i)=inco(1,i)+0.5_DP outco(3,39,i)=-inco(3,i)+0.5_DP !S=40 outco(1,40,i)=inco(2,i)+0.5_DP outco(2,40,i)=-inco(1,i)+0.5_DP outco(3,40,i)=-inco(3,i)+0.5_DP !S=41 outco(1,41,i)=-inco(1,i)+0.5_DP outco(2,41,i)=-inco(3,i)+0.5_DP outco(3,41,i)=+inco(2,i)+0.5_DP !S=42 outco(1,42,i)=inco(1,i)+0.5_DP outco(2,42,i)=-inco(3,i)+0.5_DP outco(3,42,i)=-inco(2,i)+0.5_DP !S=43 outco(1,43,i)=inco(1,i)+0.5_DP outco(2,43,i)=inco(3,i)+0.5_DP outco(3,43,i)=inco(2,i)+0.5_DP !S=44 outco(1,44,i)=-inco(1,i)+0.5_DP outco(2,44,i)=+inco(3,i)+0.5_DP outco(3,44,i)=-inco(2,i)+0.5_DP !S=45 outco(1,45,i)=-inco(3,i)+0.5_DP outco(2,45,i)=-inco(2,i)+0.5_DP outco(3,45,i)=+inco(1,i)+0.5_DP !S=46 outco(1,46,i)=-inco(3,i)+0.5_DP outco(2,46,i)=inco(2,i)+0.5_DP outco(3,46,i)=-inco(1,i)+0.5_DP !S=47 outco(1,47,i)=inco(3,i)+0.5_DP outco(2,47,i)=-inco(2,i)+0.5_DP outco(3,47,i)=-inco(1,i)+0.5_DP !S=48 outco(1,48,i)=inco(3,i)+0.5_DP outco(2,48,i)=inco(2,i)+0.5_DP outco(3,48,i)=inco(1,i)+0.5_DP CASE (227) !Fd-3m IF (unique=='1') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i)+0.5_DP outco(2,3,i)=inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i)+0.5_DP outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i)+0.5_DP !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i)+0.5_DP outco(3,7,i)=inco(2,i)+0.5_DP !S=8 outco(1,8,i)=-inco(3,i)+0.5_DP outco(2,8,i)=inco(1,i)+0.5_DP outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i)+0.5_DP outco(2,10,i)=inco(3,i)+0.5_DP outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i)+0.5_DP outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i)+0.5_DP !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i)+0.5_DP outco(3,12,i)=inco(1,i)+0.5_DP !S=13 outco(1,13,i)=inco(2,i)+0.75_DP outco(2,13,i)=inco(1,i)+0.25_DP outco(3,13,i)=-inco(3,i)+0.75_DP !S=14 outco(1,14,i)=-inco(2,i)+0.25_DP outco(2,14,i)=-inco(1,i)+0.25_DP outco(3,14,i)=-inco(3,i)+0.25_DP !S=15 outco(1,15,i)=inco(2,i)+0.25_DP outco(2,15,i)=-inco(1,i)+0.75_DP outco(3,15,i)=inco(3,i)+0.75_DP !S=16 outco(1,16,i)=-inco(2,i)+0.75_DP outco(2,16,i)=+inco(1,i)+0.75_DP outco(3,16,i)=inco(3,i)+0.25_DP !S=17 outco(1,17,i)=+inco(1,i)+0.75_DP outco(2,17,i)=+inco(3,i)+0.25_DP outco(3,17,i)=-inco(2,i)+0.75_DP !S=18 outco(1,18,i)=-inco(1,i)+0.75_DP outco(2,18,i)=+inco(3,i)+0.75_DP outco(3,18,i)=inco(2,i)+0.25_DP !S=19 outco(1,19,i)=-inco(1,i)+0.25_DP outco(2,19,i)=-inco(3,i)+0.25_DP outco(3,19,i)=-inco(2,i)+0.25_DP !S=20 outco(1,20,i)=inco(1,i)+0.25_DP outco(2,20,i)=-inco(3,i)+0.75_DP outco(3,20,i)=inco(2,i)+0.75_DP !S=21 outco(1,21,i)=inco(3,i)+0.75_DP outco(2,21,i)=inco(2,i)+0.25_DP outco(3,21,i)=-inco(1,i)+0.75_DP !S=22 outco(1,22,i)=inco(3,i)+0.25_DP outco(2,22,i)=-inco(2,i)+0.75_DP outco(3,22,i)=inco(1,i)+0.75_DP !S=23 outco(1,23,i)=-inco(3,i)+0.75_DP outco(2,23,i)=inco(2,i)+0.75_DP outco(3,23,i)=inco(1,i)+0.25_DP !S=24 outco(1,24,i)=-inco(3,i)+0.25_DP outco(2,24,i)=-inco(2,i)+0.25_DP outco(3,24,i)=-inco(1,i)+0.25_DP !S=25 outco(1,25,i)=-inco(1,i)+0.25_DP outco(2,25,i)=-inco(2,i)+0.25_DP outco(3,25,i)=-inco(3,i)+0.25_DP !S=26 outco(1,26,i)=inco(1,i)+0.25_DP outco(2,26,i)=inco(2,i)+0.75_DP outco(3,26,i)=-inco(3,i)+0.75_DP !S=27 outco(1,27,i)=inco(1,i)+0.75_DP outco(2,27,i)=-inco(2,i)+0.75_DP outco(3,27,i)=inco(3,i)+0.25_DP !S=28 outco(1,28,i)=-inco(1,i)+0.75_DP outco(2,28,i)=inco(2,i)+0.25_DP outco(3,28,i)=inco(3,i)+0.75_DP !S=29 outco(1,29,i)=-inco(3,i)+0.25_DP outco(2,29,i)=-inco(1,i)+0.25_DP outco(3,29,i)=-inco(2,i)+0.25_DP !S=30 outco(1,30,i)=-inco(3,i)+0.75_DP outco(2,30,i)=inco(1,i)+0.25_DP outco(3,30,i)=inco(2,i)+0.75_DP !S=31 outco(1,31,i)=inco(3,i)+0.25_DP outco(2,31,i)=inco(1,i)+0.75_DP outco(3,31,i)=-inco(2,i)+0.75_DP !S=32 outco(1,32,i)=inco(3,i)+0.75_DP outco(2,32,i)=-inco(1,i)+0.75_DP outco(3,32,i)=inco(2,i)+0.25_DP !S=33 outco(1,33,i)=-inco(2,i)+0.25_DP outco(2,33,i)=-inco(3,i)+0.25_DP outco(3,33,i)=-inco(1,i)+0.25_DP !S=34 outco(1,34,i)=inco(2,i)+0.75_DP outco(2,34,i)=-inco(3,i)+0.75_DP outco(3,34,i)=inco(1,i)+0.25_DP !S=35 outco(1,35,i)=-inco(2,i)+0.75_DP outco(2,35,i)=inco(3,i)+0.25_DP outco(3,35,i)=inco(1,i)+0.75_DP !S=36 outco(1,36,i)=inco(2,i)+0.25_DP outco(2,36,i)=inco(3,i)+0.75_DP outco(3,36,i)=-inco(1,i)+0.75_DP !S=37 outco(1,37,i)=-inco(2,i)+0.5_DP outco(2,37,i)=-inco(1,i) outco(3,37,i)=inco(3,i)+0.5_DP !S=38 outco(1,38,i)=inco(2,i) outco(2,38,i)=inco(1,i) outco(3,38,i)=inco(3,i) !S=39 outco(1,39,i)=-inco(2,i) outco(2,39,i)=inco(1,i)+0.5_DP outco(3,39,i)=-inco(3,i)+0.5_DP !S=40 outco(1,40,i)=inco(2,i)+0.5_DP outco(2,40,i)=-inco(1,i)+0.5_DP outco(3,40,i)=-inco(3,i) !S=41 outco(1,41,i)=-inco(1,i)+0.5_DP outco(2,41,i)=-inco(3,i) outco(3,41,i)=+inco(2,i)+0.5_DP !S=42 outco(1,42,i)=inco(1,i)+0.5_DP outco(2,42,i)=-inco(3,i)+0.5_DP outco(3,42,i)=-inco(2,i) !S=43 outco(1,43,i)=inco(1,i) outco(2,43,i)=inco(3,i) outco(3,43,i)=inco(2,i) !S=44 outco(1,44,i)=-inco(1,i) outco(2,44,i)=+inco(3,i)+0.5_DP outco(3,44,i)=-inco(2,i)+0.5_DP !S=45 outco(1,45,i)=-inco(3,i)+0.5_DP outco(2,45,i)=-inco(2,i) outco(3,45,i)=+inco(1,i)+0.5_DP !S=46 outco(1,46,i)=-inco(3,i) outco(2,46,i)=inco(2,i)+0.5_DP outco(3,46,i)=-inco(1,i)+0.5_DP !S=47 outco(1,47,i)=inco(3,i)+0.5_DP outco(2,47,i)=-inco(2,i)+0.5_DP outco(3,47,i)=-inco(1,i) !S=48 outco(1,48,i)=inco(3,i) outco(2,48,i)=inco(2,i) outco(3,48,i)=inco(1,i) END IF IF (unique=='2') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.75_DP outco(2,2,i)=-inco(2,i)+0.25_DP outco(3,2,i)=inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i)+0.25_DP outco(2,3,i)=inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i)+0.75_DP !S=4 outco(1,4,i)=inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.75_DP outco(3,4,i)=-inco(3,i)+0.25_DP !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i)+0.5_DP outco(2,6,i)=-inco(1,i)+0.75_DP outco(3,6,i)=-inco(2,i)+0.25_DP !S=7 outco(1,7,i)=-inco(3,i)+0.75_DP outco(2,7,i)=-inco(1,i)+0.25_DP outco(3,7,i)=inco(2,i)+0.5_DP !S=8 outco(1,8,i)=-inco(3,i)+0.25_DP outco(2,8,i)=inco(1,i)+0.5_DP outco(3,8,i)=-inco(2,i)+0.75_DP !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i)+0.25_DP outco(2,10,i)=inco(3,i)+0.5_DP outco(3,10,i)=-inco(1,i)+0.75_DP !S=11 outco(1,11,i)=inco(2,i)+0.5_DP outco(2,11,i)=-inco(3,i)+0.75_DP outco(3,11,i)=-inco(1,i)+0.25_DP !S=12 outco(1,12,i)=-inco(2,i)+0.75_DP outco(2,12,i)=-inco(3,i)+0.25_DP outco(3,12,i)=inco(1,i)+0.5_DP !S=13 outco(1,13,i)=inco(2,i)+0.75_DP outco(2,13,i)=inco(1,i)+0.25_DP outco(3,13,i)=-inco(3,i)+0.5_DP !S=14 outco(1,14,i)=-inco(2,i) outco(2,14,i)=-inco(1,i) outco(3,14,i)=-inco(3,i) !S=15 outco(1,15,i)=inco(2,i)+0.25_DP outco(2,15,i)=-inco(1,i)+0.5_DP outco(3,15,i)=inco(3,i)+0.75_DP !S=16 outco(1,16,i)=-inco(2,i)+0.5_DP outco(2,16,i)=+inco(1,i)+0.75_DP outco(3,16,i)=inco(3,i)+0.25_DP !S=17 outco(1,17,i)=+inco(1,i)+0.75_DP outco(2,17,i)=+inco(3,i)+0.25_DP outco(3,17,i)=-inco(2,i)+0.5_DP !S=18 outco(1,18,i)=-inco(1,i)+0.5_DP outco(2,18,i)=+inco(3,i)+0.75_DP outco(3,18,i)=inco(2,i)+0.25_DP !S=19 outco(1,19,i)=-inco(1,i) outco(2,19,i)=-inco(3,i) outco(3,19,i)=-inco(2,i) !S=20 outco(1,20,i)=inco(1,i)+0.25_DP outco(2,20,i)=-inco(3,i)+0.5_DP outco(3,20,i)=inco(2,i)+0.75_DP !S=21 outco(1,21,i)=inco(3,i)+0.75_DP outco(2,21,i)=inco(2,i)+0.25_DP outco(3,21,i)=-inco(1,i)+0.5_DP !S=22 outco(1,22,i)=inco(3,i)+0.25_DP outco(2,22,i)=-inco(2,i)+0.5_DP outco(3,22,i)=inco(1,i)+0.75_DP !S=23 outco(1,23,i)=-inco(3,i)+0.5_DP outco(2,23,i)=inco(2,i)+0.75_DP outco(3,23,i)=inco(1,i)+0.25_DP !S=24 outco(1,24,i)=-inco(3,i) outco(2,24,i)=-inco(2,i) outco(3,24,i)=-inco(1,i) !S=25 outco(1,25,i)=-inco(1,i) outco(2,25,i)=-inco(2,i) outco(3,25,i)=-inco(3,i) !S=26 outco(1,26,i)=inco(1,i)+0.25_DP outco(2,26,i)=inco(2,i)+0.75_DP outco(3,26,i)=-inco(3,i)+0.5_DP !S=27 outco(1,27,i)=inco(1,i)+0.75_DP outco(2,27,i)=-inco(2,i)+0.5_DP outco(3,27,i)=inco(3,i)+0.25_DP !S=28 outco(1,28,i)=-inco(1,i)+0.5_DP outco(2,28,i)=inco(2,i)+0.25_DP outco(3,28,i)=inco(3,i)+0.75_DP !S=29 outco(1,29,i)=-inco(3,i) outco(2,29,i)=-inco(1,i) outco(3,29,i)=-inco(2,i) !S=30 outco(1,30,i)=-inco(3,i)+0.5_DP outco(2,30,i)=inco(1,i)+0.25_DP outco(3,30,i)=inco(2,i)+0.75_DP !S=31 outco(1,31,i)=inco(3,i)+0.25_DP outco(2,31,i)=inco(1,i)+0.75_DP outco(3,31,i)=-inco(2,i)+0.5_DP !S=32 outco(1,32,i)=inco(3,i)+0.75_DP outco(2,32,i)=-inco(1,i)+0.5_DP outco(3,32,i)=inco(2,i)+0.25_DP !S=33 outco(1,33,i)=-inco(2,i) outco(2,33,i)=-inco(3,i) outco(3,33,i)=-inco(1,i) !S=34 outco(1,34,i)=inco(2,i)+0.75_DP outco(2,34,i)=-inco(3,i)+0.5_DP outco(3,34,i)=inco(1,i)+0.25_DP !S=35 outco(1,35,i)=-inco(2,i)+0.5_DP outco(2,35,i)=inco(3,i)+0.25_DP outco(3,35,i)=inco(1,i)+0.75_DP !S=36 outco(1,36,i)=inco(2,i)+0.25_DP outco(2,36,i)=inco(3,i)+0.75_DP outco(3,36,i)=-inco(1,i)+0.5_DP !S=37 outco(1,37,i)=-inco(2,i)+0.25_DP outco(2,37,i)=-inco(1,i)+0.75_DP outco(3,37,i)=inco(3,i)+0.5_DP !S=38 outco(1,38,i)=inco(2,i) outco(2,38,i)=inco(1,i) outco(3,38,i)=inco(3,i) !S=39 outco(1,39,i)=-inco(2,i)+0.75_DP outco(2,39,i)=inco(1,i)+0.5_DP outco(3,39,i)=-inco(3,i)+0.25_DP !S=40 outco(1,40,i)=inco(2,i)+0.5_DP outco(2,40,i)=-inco(1,i)+0.25_DP outco(3,40,i)=-inco(3,i)+0.75_DP !S=41 outco(1,41,i)=-inco(1,i)+0.25_DP outco(2,41,i)=-inco(3,i)+0.75_DP outco(3,41,i)=+inco(2,i)+0.5_DP !S=42 outco(1,42,i)=inco(1,i)+0.5_DP outco(2,42,i)=-inco(3,i)+0.25_DP outco(3,42,i)=-inco(2,i)+0.75_DP !S=43 outco(1,43,i)=inco(1,i) outco(2,43,i)=inco(3,i) outco(3,43,i)=inco(2,i) !S=44 outco(1,44,i)=-inco(1,i)+0.75_DP outco(2,44,i)=+inco(3,i)+0.5_DP outco(3,44,i)=-inco(2,i)+0.25_DP !S=45 outco(1,45,i)=-inco(3,i)+0.25_DP outco(2,45,i)=-inco(2,i)+0.75_DP outco(3,45,i)=+inco(1,i)+0.5_DP !S=46 outco(1,46,i)=-inco(3,i)+0.75_DP outco(2,46,i)=inco(2,i)+0.5_DP outco(3,46,i)=-inco(1,i)+0.25_DP !S=47 outco(1,47,i)=inco(3,i)+0.5_DP outco(2,47,i)=-inco(2,i)+0.25_DP outco(3,47,i)=-inco(1,i)+0.75_DP !S=48 outco(1,48,i)=inco(3,i) outco(2,48,i)=inco(2,i) outco(3,48,i)=inco(1,i) END IF CASE (228) !Fd-3c IF (unique=='1') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i)+0.5_DP outco(3,2,i)=inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i)+0.5_DP outco(2,3,i)=inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i)+0.5_DP !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i)+0.5_DP outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i)+0.5_DP !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i)+0.5_DP outco(3,7,i)=inco(2,i)+0.5_DP !S=8 outco(1,8,i)=-inco(3,i)+0.5_DP outco(2,8,i)=inco(1,i)+0.5_DP outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i)+0.5_DP outco(2,10,i)=inco(3,i)+0.5_DP outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i)+0.5_DP outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i)+0.5_DP !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i)+0.5_DP outco(3,12,i)=inco(1,i)+0.5_DP !S=13 outco(1,13,i)=inco(2,i)+0.75_DP outco(2,13,i)=inco(1,i)+0.25_DP outco(3,13,i)=-inco(3,i)+0.75_DP !S=14 outco(1,14,i)=-inco(2,i)+0.25_DP outco(2,14,i)=-inco(1,i)+0.25_DP outco(3,14,i)=-inco(3,i)+0.25_DP !S=15 outco(1,15,i)=inco(2,i)+0.25_DP outco(2,15,i)=-inco(1,i)+0.75_DP outco(3,15,i)=inco(3,i)+0.75_DP !S=16 outco(1,16,i)=-inco(2,i)+0.75_DP outco(2,16,i)=+inco(1,i)+0.75_DP outco(3,16,i)=inco(3,i)+0.25_DP !S=17 outco(1,17,i)=+inco(1,i)+0.75_DP outco(2,17,i)=+inco(3,i)+0.25_DP outco(3,17,i)=-inco(2,i)+0.75_DP !S=18 outco(1,18,i)=-inco(1,i)+0.75_DP outco(2,18,i)=+inco(3,i)+0.75_DP outco(3,18,i)=inco(2,i)+0.25_DP !S=19 outco(1,19,i)=-inco(1,i)+0.25_DP outco(2,19,i)=-inco(3,i)+0.25_DP outco(3,19,i)=-inco(2,i)+0.25_DP !S=20 outco(1,20,i)=inco(1,i)+0.25_DP outco(2,20,i)=-inco(3,i)+0.75_DP outco(3,20,i)=inco(2,i)+0.75_DP !S=21 outco(1,21,i)=inco(3,i)+0.75_DP outco(2,21,i)=inco(2,i)+0.25_DP outco(3,21,i)=-inco(1,i)+0.75_DP !S=22 outco(1,22,i)=inco(3,i)+0.25_DP outco(2,22,i)=-inco(2,i)+0.75_DP outco(3,22,i)=inco(1,i)+0.75_DP !S=23 outco(1,23,i)=-inco(3,i)+0.75_DP outco(2,23,i)=inco(2,i)+0.75_DP outco(3,23,i)=inco(1,i)+0.25_DP !S=24 outco(1,24,i)=-inco(3,i)+0.25_DP outco(2,24,i)=-inco(2,i)+0.25_DP outco(3,24,i)=-inco(1,i)+0.25_DP !S=25 outco(1,25,i)=-inco(1,i)+0.75_DP outco(2,25,i)=-inco(2,i)+0.75_DP outco(3,25,i)=-inco(3,i)+0.75_DP !S=26 outco(1,26,i)=inco(1,i)+0.75_DP outco(2,26,i)=inco(2,i)+0.25_DP outco(3,26,i)=-inco(3,i)+0.25_DP !S=27 outco(1,27,i)=inco(1,i)+0.25_DP outco(2,27,i)=-inco(2,i)+0.25_DP outco(3,27,i)=inco(3,i)+0.75_DP !S=28 outco(1,28,i)=-inco(1,i)+0.25_DP outco(2,28,i)=inco(2,i)+0.75_DP outco(3,28,i)=inco(3,i)+0.25_DP !S=29 outco(1,29,i)=-inco(3,i)+0.75_DP outco(2,29,i)=-inco(1,i)+0.75_DP outco(3,29,i)=-inco(2,i)+0.75_DP !S=30 outco(1,30,i)=-inco(3,i)+0.25_DP outco(2,30,i)=inco(1,i)+0.75_DP outco(3,30,i)=inco(2,i)+0.25_DP !S=31 outco(1,31,i)=inco(3,i)+0.75_DP outco(2,31,i)=inco(1,i)+0.25_DP outco(3,31,i)=-inco(2,i)+0.25_DP !S=32 outco(1,32,i)=inco(3,i)+0.25_DP outco(2,32,i)=-inco(1,i)+0.25_DP outco(3,32,i)=inco(2,i)+0.75_DP !S=33 outco(1,33,i)=-inco(2,i)+0.75_DP outco(2,33,i)=-inco(3,i)+0.75_DP outco(3,33,i)=-inco(1,i)+0.75_DP !S=34 outco(1,34,i)=inco(2,i)+0.25_DP outco(2,34,i)=-inco(3,i)+0.25_DP outco(3,34,i)=inco(1,i)+0.75_DP !S=35 outco(1,35,i)=-inco(2,i)+0.25_DP outco(2,35,i)=inco(3,i)+0.75_DP outco(3,35,i)=inco(1,i)+0.25_DP !S=36 outco(1,36,i)=inco(2,i)+0.75_DP outco(2,36,i)=inco(3,i)+0.25_DP outco(3,36,i)=-inco(1,i)+0.25_DP !S=37 outco(1,37,i)=-inco(2,i) outco(2,37,i)=-inco(1,i)+0.5_DP outco(3,37,i)=inco(3,i) !S=38 outco(1,38,i)=inco(2,i)+0.5_DP outco(2,38,i)=inco(1,i)+0.5_DP outco(3,38,i)=inco(3,i)+0.5_DP !S=39 outco(1,39,i)=-inco(2,i)+0.5_DP outco(2,39,i)=inco(1,i) outco(3,39,i)=-inco(3,i) !S=40 outco(1,40,i)=inco(2,i) outco(2,40,i)=-inco(1,i) outco(3,40,i)=-inco(3,i)+0.5_DP !S=41 outco(1,41,i)=-inco(1,i) outco(2,41,i)=-inco(3,i)+0.5_DP outco(3,41,i)=+inco(2,i) !S=42 outco(1,42,i)=inco(1,i) outco(2,42,i)=-inco(3,i) outco(3,42,i)=-inco(2,i)+0.5_DP !S=43 outco(1,43,i)=inco(1,i)+0.5_DP outco(2,43,i)=inco(3,i)+0.5_DP outco(3,43,i)=inco(2,i)+0.5_DP !S=44 outco(1,44,i)=-inco(1,i)+0.5_DP outco(2,44,i)=+inco(3,i) outco(3,44,i)=-inco(2,i) !S=45 outco(1,45,i)=-inco(3,i) outco(2,45,i)=-inco(2,i)+0.5_DP outco(3,45,i)=+inco(1,i) !S=46 outco(1,46,i)=-inco(3,i)+0.5_DP outco(2,46,i)=inco(2,i) outco(3,46,i)=-inco(1,i) !S=47 outco(1,47,i)=inco(3,i) outco(2,47,i)=-inco(2,i) outco(3,47,i)=-inco(1,i)+0.5_DP !S=48 outco(1,48,i)=inco(3,i)+0.5_DP outco(2,48,i)=inco(2,i)+0.5_DP outco(3,48,i)=inco(1,i)+0.5_DP END IF IF (unique=='2') THEN DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.25_DP outco(2,2,i)=-inco(2,i)+0.75_DP outco(3,2,i)=inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i)+0.75_DP outco(2,3,i)=inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i)+0.25_DP !S=4 outco(1,4,i)=inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.25_DP outco(3,4,i)=-inco(3,i)+0.75_DP !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i)+0.5_DP outco(2,6,i)=-inco(1,i)+0.25_DP outco(3,6,i)=-inco(2,i)+0.75_DP !S=7 outco(1,7,i)=-inco(3,i)+0.25_DP outco(2,7,i)=-inco(1,i)+0.75_DP outco(3,7,i)=inco(2,i)+0.5_DP !S=8 outco(1,8,i)=-inco(3,i)+0.75_DP outco(2,8,i)=inco(1,i)+0.5_DP outco(3,8,i)=-inco(2,i)+0.25_DP !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i)+0.75_DP outco(2,10,i)=inco(3,i)+0.5_DP outco(3,10,i)=-inco(1,i)+0.25_DP !S=11 outco(1,11,i)=inco(2,i)+0.5_DP outco(2,11,i)=-inco(3,i)+0.25_DP outco(3,11,i)=-inco(1,i)+0.75_DP !S=12 outco(1,12,i)=-inco(2,i)+0.25_DP outco(2,12,i)=-inco(3,i)+0.75_DP outco(3,12,i)=inco(1,i)+0.5_DP !S=13 outco(1,13,i)=inco(2,i)+0.75_DP outco(2,13,i)=inco(1,i)+0.25_DP outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=-inco(2,i)+0.5_DP outco(2,14,i)=-inco(1,i)+0.5_DP outco(3,14,i)=-inco(3,i)+0.5_DP !S=15 outco(1,15,i)=inco(2,i)+0.25_DP outco(2,15,i)=-inco(1,i) outco(3,15,i)=inco(3,i)+0.75_DP !S=16 outco(1,16,i)=-inco(2,i) outco(2,16,i)=+inco(1,i)+0.75_DP outco(3,16,i)=inco(3,i)+0.25_DP !S=17 outco(1,17,i)=+inco(1,i)+0.75_DP outco(2,17,i)=+inco(3,i)+0.25_DP outco(3,17,i)=-inco(2,i) !S=18 outco(1,18,i)=-inco(1,i) outco(2,18,i)=+inco(3,i)+0.75_DP outco(3,18,i)=inco(2,i)+0.25_DP !S=19 outco(1,19,i)=-inco(1,i)+0.5_DP outco(2,19,i)=-inco(3,i)+0.5_DP outco(3,19,i)=-inco(2,i)+0.5_DP !S=20 outco(1,20,i)=inco(1,i)+0.25_DP outco(2,20,i)=-inco(3,i) outco(3,20,i)=inco(2,i)+0.75_DP !S=21 outco(1,21,i)=inco(3,i)+0.75_DP outco(2,21,i)=inco(2,i)+0.25_DP outco(3,21,i)=-inco(1,i) !S=22 outco(1,22,i)=inco(3,i)+0.25_DP outco(2,22,i)=-inco(2,i) outco(3,22,i)=inco(1,i)+0.75_DP !S=23 outco(1,23,i)=-inco(3,i) outco(2,23,i)=inco(2,i)+0.75_DP outco(3,23,i)=inco(1,i)+0.25_DP !S=24 outco(1,24,i)=-inco(3,i)+0.5_DP outco(2,24,i)=-inco(2,i)+0.5_DP outco(3,24,i)=-inco(1,i)+0.5_DP !S=25 outco(1,25,i)=-inco(1,i) outco(2,25,i)=-inco(2,i) outco(3,25,i)=-inco(3,i) !S=26 outco(1,26,i)=inco(1,i)+0.75_DP outco(2,26,i)=inco(2,i)+0.25_DP outco(3,26,i)=-inco(3,i)+0.5_DP !S=27 outco(1,27,i)=inco(1,i)+0.25_DP outco(2,27,i)=-inco(2,i)+0.5_DP outco(3,27,i)=inco(3,i)+0.75_DP !S=28 outco(1,28,i)=-inco(1,i)+0.5_DP outco(2,28,i)=inco(2,i)+0.75_DP outco(3,28,i)=inco(3,i)+0.25_DP !S=29 outco(1,29,i)=-inco(3,i) outco(2,29,i)=-inco(1,i) outco(3,29,i)=-inco(2,i) !S=30 outco(1,30,i)=-inco(3,i)+0.5_DP outco(2,30,i)=inco(1,i)+0.75_DP outco(3,30,i)=inco(2,i)+0.25_DP !S=31 outco(1,31,i)=inco(3,i)+0.75_DP outco(2,31,i)=inco(1,i)+0.25_DP outco(3,31,i)=-inco(2,i)+0.5_DP !S=32 outco(1,32,i)=inco(3,i)+0.25_DP outco(2,32,i)=-inco(1,i)+0.5_DP outco(3,32,i)=inco(2,i)+0.75_DP !S=33 outco(1,33,i)=-inco(2,i) outco(2,33,i)=-inco(3,i) outco(3,33,i)=-inco(1,i) !S=34 outco(1,34,i)=inco(2,i)+0.25_DP outco(2,34,i)=-inco(3,i)+0.5_DP outco(3,34,i)=inco(1,i)+0.75_DP !S=35 outco(1,35,i)=-inco(2,i)+0.5_DP outco(2,35,i)=inco(3,i)+0.75_DP outco(3,35,i)=inco(1,i)+0.25_DP !S=36 outco(1,36,i)=inco(2,i)+0.75_DP outco(2,36,i)=inco(3,i)+0.25_DP outco(3,36,i)=-inco(1,i)+0.5_DP !S=37 outco(1,37,i)=-inco(2,i)+0.25_DP outco(2,37,i)=-inco(1,i)+0.75_DP outco(3,37,i)=inco(3,i) !S=38 outco(1,38,i)=inco(2,i)+0.5_DP outco(2,38,i)=inco(1,i)+0.5_DP outco(3,38,i)=inco(3,i)+0.5_DP !S=39 outco(1,39,i)=-inco(2,i)+0.75_DP outco(2,39,i)=inco(1,i) outco(3,39,i)=-inco(3,i)+0.25_DP !S=40 outco(1,40,i)=inco(2,i) outco(2,40,i)=-inco(1,i)+0.25_DP outco(3,40,i)=-inco(3,i)+0.75_DP !S=41 outco(1,41,i)=-inco(1,i)+0.25_DP outco(2,41,i)=-inco(3,i)+0.75_DP outco(3,41,i)=+inco(2,i) !S=42 outco(1,42,i)=inco(1,i) outco(2,42,i)=-inco(3,i)+0.25_DP outco(3,42,i)=-inco(2,i)+0.75_DP !S=43 outco(1,43,i)=inco(1,i)+0.5_DP outco(2,43,i)=inco(3,i)+0.5_DP outco(3,43,i)=inco(2,i)+0.5_DP !S=44 outco(1,44,i)=-inco(1,i)+0.75_DP outco(2,44,i)=+inco(3,i) outco(3,44,i)=-inco(2,i)+0.25_DP !S=45 outco(1,45,i)=-inco(3,i)+0.25_DP outco(2,45,i)=-inco(2,i)+0.75_DP outco(3,45,i)=+inco(1,i) !S=46 outco(1,46,i)=-inco(3,i)+0.75_DP outco(2,46,i)=inco(2,i) outco(3,46,i)=-inco(1,i)+0.25_DP !S=47 outco(1,47,i)=inco(3,i) outco(2,47,i)=-inco(2,i)+0.25_DP outco(3,47,i)=-inco(1,i)+0.75_DP !S=48 outco(1,48,i)=inco(3,i)+0.5_DP outco(2,48,i)=inco(2,i)+0.5_DP outco(3,48,i)=inco(1,i)+0.5_DP END IF CASE (229) DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i) outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i) !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i) outco(3,3,i)=-inco(3,i) !S=4 outco(1,4,i)=inco(1,i) outco(2,4,i)=-inco(2,i) outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i) outco(2,6,i)=-inco(1,i) outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i) outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i) !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i) outco(3,8,i)=-inco(2,i) !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i) outco(3,10,i)=-inco(1,i) !S=11 outco(1,11,i)=inco(2,i) outco(2,11,i)=-inco(3,i) outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i) outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i) !S=13 outco(1,13,i)=inco(2,i) outco(2,13,i)=inco(1,i) outco(3,13,i)=-inco(3,i) !S=14 outco(1,14,i)=-inco(2,i) outco(2,14,i)=-inco(1,i) outco(3,14,i)=-inco(3,i) !S=15 outco(1,15,i)=inco(2,i) outco(2,15,i)=-inco(1,i) outco(3,15,i)=inco(3,i) !S=16 outco(1,16,i)=-inco(2,i) outco(2,16,i)=+inco(1,i) outco(3,16,i)=inco(3,i) !S=17 outco(1,17,i)=+inco(1,i) outco(2,17,i)=+inco(3,i) outco(3,17,i)=-inco(2,i) !S=18 outco(1,18,i)=-inco(1,i) outco(2,18,i)=+inco(3,i) outco(3,18,i)=inco(2,i) !S=19 outco(1,19,i)=-inco(1,i) outco(2,19,i)=-inco(3,i) outco(3,19,i)=-inco(2,i) !S=20 outco(1,20,i)=inco(1,i) outco(2,20,i)=-inco(3,i) outco(3,20,i)=inco(2,i) !S=21 outco(1,21,i)=inco(3,i) outco(2,21,i)=inco(2,i) outco(3,21,i)=-inco(1,i) !S=22 outco(1,22,i)=inco(3,i) outco(2,22,i)=-inco(2,i) outco(3,22,i)=inco(1,i) !S=23 outco(1,23,i)=-inco(3,i) outco(2,23,i)=inco(2,i) outco(3,23,i)=inco(1,i) !S=24 outco(1,24,i)=-inco(3,i) outco(2,24,i)=-inco(2,i) outco(3,24,i)=-inco(1,i) !S=25 outco(1,25,i)=-inco(1,i) outco(2,25,i)=-inco(2,i) outco(3,25,i)=-inco(3,i) !S=26 outco(1,26,i)=inco(1,i) outco(2,26,i)=inco(2,i) outco(3,26,i)=-inco(3,i) !S=27 outco(1,27,i)=inco(1,i) outco(2,27,i)=-inco(2,i) outco(3,27,i)=inco(3,i) !S=28 outco(1,28,i)=-inco(1,i) outco(2,28,i)=inco(2,i) outco(3,28,i)=inco(3,i) !S=29 outco(1,29,i)=-inco(3,i) outco(2,29,i)=-inco(1,i) outco(3,29,i)=-inco(2,i) !S=30 outco(1,30,i)=-inco(3,i) outco(2,30,i)=inco(1,i) outco(3,30,i)=inco(2,i) !S=31 outco(1,31,i)=inco(3,i) outco(2,31,i)=inco(1,i) outco(3,31,i)=-inco(2,i) !S=32 outco(1,32,i)=inco(3,i) outco(2,32,i)=-inco(1,i) outco(3,32,i)=inco(2,i) !S=33 outco(1,33,i)=-inco(2,i) outco(2,33,i)=-inco(3,i) outco(3,33,i)=-inco(1,i) !S=34 outco(1,34,i)=inco(2,i) outco(2,34,i)=-inco(3,i) outco(3,34,i)=inco(1,i) !S=35 outco(1,35,i)=-inco(2,i) outco(2,35,i)=inco(3,i) outco(3,35,i)=inco(1,i) !S=36 outco(1,36,i)=inco(2,i) outco(2,36,i)=inco(3,i) outco(3,36,i)=-inco(1,i) !S=37 outco(1,37,i)=-inco(2,i) outco(2,37,i)=-inco(1,i) outco(3,37,i)=inco(3,i) !S=38 outco(1,38,i)=inco(2,i) outco(2,38,i)=inco(1,i) outco(3,38,i)=inco(3,i) !S=39 outco(1,39,i)=-inco(2,i) outco(2,39,i)=inco(1,i) outco(3,39,i)=-inco(3,i) !S=40 outco(1,40,i)=inco(2,i) outco(2,40,i)=-inco(1,i) outco(3,40,i)=-inco(3,i) !S=41 outco(1,41,i)=-inco(1,i) outco(2,41,i)=-inco(3,i) outco(3,41,i)=+inco(2,i) !S=42 outco(1,42,i)=inco(1,i) outco(2,42,i)=-inco(3,i) outco(3,42,i)=-inco(2,i) !S=43 outco(1,43,i)=inco(1,i) outco(2,43,i)=inco(3,i) outco(3,43,i)=inco(2,i) !S=44 outco(1,44,i)=-inco(1,i) outco(2,44,i)=+inco(3,i) outco(3,44,i)=-inco(2,i) !S=45 outco(1,45,i)=-inco(3,i) outco(2,45,i)=-inco(2,i) outco(3,45,i)=+inco(1,i) !S=46 outco(1,46,i)=-inco(3,i) outco(2,46,i)=inco(2,i) outco(3,46,i)=-inco(1,i) !S=47 outco(1,47,i)=inco(3,i) outco(2,47,i)=-inco(2,i) outco(3,47,i)=-inco(1,i) !S=48 outco(1,48,i)=inco(3,i) outco(2,48,i)=inco(2,i) outco(3,48,i)=inco(1,i) CASE (230) DO k=1,3 outco(k,1,i)=inco(k,i) END DO !S=2 outco(1,2,i)=-inco(1,i)+0.5_DP outco(2,2,i)=-inco(2,i) outco(3,2,i)=inco(3,i)+0.5_DP !S=3 outco(1,3,i)=-inco(1,i) outco(2,3,i)=inco(2,i)+0.5_DP outco(3,3,i)=-inco(3,i)+0.5_DP !S=4 outco(1,4,i)=inco(1,i)+0.5_DP outco(2,4,i)=-inco(2,i)+0.5_DP outco(3,4,i)=-inco(3,i) !S=5 outco(1,5,i)=inco(3,i) outco(2,5,i)=inco(1,i) outco(3,5,i)=inco(2,i) !S=6 outco(1,6,i)=inco(3,i)+0.5_DP outco(2,6,i)=-inco(1,i)+0.5_DP outco(3,6,i)=-inco(2,i) !S=7 outco(1,7,i)=-inco(3,i)+0.5_DP outco(2,7,i)=-inco(1,i) outco(3,7,i)=inco(2,i)+0.5_DP !S=8 outco(1,8,i)=-inco(3,i) outco(2,8,i)=inco(1,i)+0.5_DP outco(3,8,i)=-inco(2,i)+0.5_DP !S=9 outco(1,9,i)=inco(2,i) outco(2,9,i)=inco(3,i) outco(3,9,i)=inco(1,i) !S=10 outco(1,10,i)=-inco(2,i) outco(2,10,i)=inco(3,i)+0.5_DP outco(3,10,i)=-inco(1,i)+0.5_DP !S=11 outco(1,11,i)=inco(2,i)+0.5_DP outco(2,11,i)=-inco(3,i)+0.5_DP outco(3,11,i)=-inco(1,i) !S=12 outco(1,12,i)=-inco(2,i)+0.5_DP outco(2,12,i)=-inco(3,i) outco(3,12,i)=inco(1,i)+0.5_DP !S=13 outco(1,13,i)=inco(2,i)+0.75_DP outco(2,13,i)=inco(1,i)+0.25_DP outco(3,13,i)=-inco(3,i)+0.25_DP !S=14 outco(1,14,i)=-inco(2,i)+0.75_DP outco(2,14,i)=-inco(1,i)+0.75_DP outco(3,14,i)=-inco(3,i)+0.75_DP !S=15 outco(1,15,i)=inco(2,i)+0.25_DP outco(2,15,i)=-inco(1,i)+0.25_DP outco(3,15,i)=inco(3,i)+0.75_DP !S=16 outco(1,16,i)=-inco(2,i)+0.25_DP outco(2,16,i)=+inco(1,i)+0.75_DP outco(3,16,i)=inco(3,i)+0.25_DP !S=17 outco(1,17,i)=+inco(1,i)+0.75_DP outco(2,17,i)=+inco(3,i)+0.25_DP outco(3,17,i)=-inco(2,i)+0.25_DP !S=18 outco(1,18,i)=-inco(1,i)+0.25_DP outco(2,18,i)=+inco(3,i)+0.75_DP outco(3,18,i)=inco(2,i)+0.25_DP !S=19 outco(1,19,i)=-inco(1,i)+0.75_DP outco(2,19,i)=-inco(3,i)+0.75_DP outco(3,19,i)=-inco(2,i)+0.75_DP !S=20 outco(1,20,i)=inco(1,i)+0.25_DP outco(2,20,i)=-inco(3,i)+0.25_DP outco(3,20,i)=inco(2,i)+0.75_DP !S=21 outco(1,21,i)=inco(3,i)+0.75_DP outco(2,21,i)=inco(2,i)+0.25_DP outco(3,21,i)=-inco(1,i)+0.25_DP !S=22 outco(1,22,i)=inco(3,i)+0.25_DP outco(2,22,i)=-inco(2,i)+0.25_DP outco(3,22,i)=inco(1,i)+0.75_DP !S=23 outco(1,23,i)=-inco(3,i)+0.25_DP outco(2,23,i)=inco(2,i)+0.75_DP outco(3,23,i)=inco(1,i)+0.25_DP !S=24 outco(1,24,i)=-inco(3,i)+0.75_DP outco(2,24,i)=-inco(2,i)+0.75_DP outco(3,24,i)=-inco(1,i)+0.75_DP !S=25 outco(1,25,i)=-inco(1,i) outco(2,25,i)=-inco(2,i) outco(3,25,i)=-inco(3,i) !S=26 outco(1,26,i)=inco(1,i)+0.5_DP outco(2,26,i)=inco(2,i) outco(3,26,i)=-inco(3,i)+0.5_DP !S=27 outco(1,27,i)=inco(1,i) outco(2,27,i)=-inco(2,i)+0.5_DP outco(3,27,i)=inco(3,i)+0.5_DP !S=28 outco(1,28,i)=-inco(1,i)+0.5_DP outco(2,28,i)=inco(2,i)+0.5_DP outco(3,28,i)=inco(3,i) !S=29 outco(1,29,i)=-inco(3,i) outco(2,29,i)=-inco(1,i) outco(3,29,i)=-inco(2,i) !S=30 outco(1,30,i)=-inco(3,i)+0.5_DP outco(2,30,i)=inco(1,i)+0.5_DP outco(3,30,i)=inco(2,i) !S=31 outco(1,31,i)=inco(3,i)+0.5_DP outco(2,31,i)=inco(1,i) outco(3,31,i)=-inco(2,i)+0.5_DP !S=32 outco(1,32,i)=inco(3,i) outco(2,32,i)=-inco(1,i)+0.5_DP outco(3,32,i)=inco(2,i)+0.5_DP !S=33 outco(1,33,i)=-inco(2,i) outco(2,33,i)=-inco(3,i) outco(3,33,i)=-inco(1,i) !S=34 outco(1,34,i)=inco(2,i) outco(2,34,i)=-inco(3,i)+0.5_DP outco(3,34,i)=inco(1,i)+0.5_DP !S=35 outco(1,35,i)=-inco(2,i)+0.5_DP outco(2,35,i)=inco(3,i)+0.5_DP outco(3,35,i)=inco(1,i) !S=36 outco(1,36,i)=inco(2,i)+0.5_DP outco(2,36,i)=inco(3,i) outco(3,36,i)=-inco(1,i)+0.5_DP !S=37 outco(1,37,i)=-inco(2,i)+0.25_DP outco(2,37,i)=-inco(1,i)+0.75_DP outco(3,37,i)=inco(3,i)+0.75_DP !S=38 outco(1,38,i)=inco(2,i)+0.25_DP outco(2,38,i)=inco(1,i)+0.25_DP outco(3,38,i)=inco(3,i)+0.25_DP !S=39 outco(1,39,i)=-inco(2,i)+0.75_DP outco(2,39,i)=inco(1,i)+0.75_DP outco(3,39,i)=-inco(3,i)+0.25_DP !S=40 outco(1,40,i)=inco(2,i)+0.75_DP outco(2,40,i)=-inco(1,i)+0.25_DP outco(3,40,i)=-inco(3,i)+0.75_DP !S=41 outco(1,41,i)=-inco(1,i)+0.25_DP outco(2,41,i)=-inco(3,i)+0.75_DP outco(3,41,i)=+inco(2,i)+0.75_DP !S=42 outco(1,42,i)=inco(1,i)+0.75_DP outco(2,42,i)=-inco(3,i)+0.25_DP outco(3,42,i)=-inco(2,i)+0.75_DP !S=43 outco(1,43,i)=inco(1,i)+0.25_DP outco(2,43,i)=inco(3,i)+0.25_DP outco(3,43,i)=inco(2,i)+0.25_DP !S=44 outco(1,44,i)=-inco(1,i)+0.75_DP outco(2,44,i)=+inco(3,i)+0.75_DP outco(3,44,i)=-inco(2,i)+0.25_DP !S=45 outco(1,45,i)=-inco(3,i)+0.25_DP outco(2,45,i)=-inco(2,i)+0.75_DP outco(3,45,i)=+inco(1,i)+0.75_DP !S=46 outco(1,46,i)=-inco(3,i)+0.75_DP outco(2,46,i)=inco(2,i)+0.75_DP outco(3,46,i)=-inco(1,i)+0.25_DP !S=47 outco(1,47,i)=inco(3,i)+0.75_DP outco(2,47,i)=-inco(2,i)+0.25_DP outco(3,47,i)=-inco(1,i)+0.75_DP !S=48 outco(1,48,i)=inco(3,i)+0.25_DP outco(2,48,i)=inco(2,i)+0.25_DP outco(3,48,i)=inco(1,i)+0.25_DP END SELECT simmetria RETURN END SUBROUTINE find_equivalent_tau END MODULE