ni2.rme_rac
A file .rme_rac is only produced if a charge transfer multiplet
calculation is performed.
IRREP GROUND 0+ MULT 4 DIM 1
IRREP GROUND 1+ MULT 4 DIM 3
IRREP GROUND 2+ MULT 5 DIM 2
IRREP GROUND ^1+ MULT 6 DIM 3
IRREP GROUND ^0+ MULT 1 DIM 1
IRREP EXCITE 0- MULT 2 DIM 1
IRREP EXCITE 1- MULT 7 DIM 3
IRREP EXCITE 2- MULT 5 DIM 2
IRREP EXCITE ^1- MULT 8 DIM 3
IRREP EXCITE ^0- MULT 3 DIM 1
REDUCEDMATRIX TRANSI 0+ 1- 1- 0 MULTIPOLE 4 7
ADD 1 1 1 2 3 1.00000000
ADD 11 3 4 2 3 0.33333333
ADD 12 3 7 2 1 -0.33333333
END MULTIPOLE
REDUCEDMATRIX TRANSI 1+ 1- 0- 0 MULTIPOLE 4 2
ADD 2 1 1 1 1 1.00000000
ADD 10 2 2 1 1 0.33333333
ADD 12 3 2 2 1 0.33333333
END MULTIPOLE
REDUCEDMATRIX TRANSI 1+ 1- 1- 0 MULTIPOLE 4 7
ADD 3 1 1 1 3 -1.00000000
ADD 9 2 4 1 3 0.40089186
ADD 10 2 7 1 1 -0.45643546
ADD 11 3 4 2 3 0.45643546
ADD 12 3 7 2 1 -0.09128709
END MULTIPOLE
REDUCEDMATRIX TRANSI 1+ 1- 2- 0 MULTIPOLE 4 5
ADD 4 1 1 1 4 0.63245553
ADD 8 2 1 1 4 0.50709255
ADD 10 2 5 1 1 0.28171808
ADD 12 3 5 2 1 -0.39440532
END MULTIPOLE
REDUCEDMATRIX TRANSI 1+ 1- ^1- 0 MULTIPOLE 4 8
ADD 4 1 1 1 4 0.77459667
ADD 8 2 1 1 4 -0.41403934
ADD 9 2 5 1 3 -0.51754917
ADD 10 2 8 1 1 0.17251639
ADD 11 3 5 2 3 0.35355339
ADD 12 3 8 2 1 -0.24152295
END MULTIPOLE
REDUCEDMATRIX TRANSI 2+ 1- 1- 0 MULTIPOLE 5 7
ADD 5 1 1 3 3 0.63245553
ADD 7 1 4 3 3 0.50709255
ADD 11 4 4 2 3 0.28171808
ADD 12 4 7 2 1 0.39440532
END MULTIPOLE
REDUCEDMATRIX TRANSI 2+ 1- ^1- 0 MULTIPOLE 5 8
ADD 6 1 1 3 4 -0.63245553
ADD 7 1 5 3 3 -0.37796447
ADD 11 4 5 2 3 0.37796447
ADD 12 4 8 2 1 -0.25819889
END MULTIPOLE
REDUCEDMATRIX TRANSI ^1+ 1- 1- 0 MULTIPOLE 6 7
ADD 5 1 1 3 3 0.77459667
ADD 7 1 4 3 3 -0.41403934
ADD 9 4 4 1 3 0.51754917
ADD 10 4 7 1 1 0.35355339
ADD 11 5 4 2 3 0.17251639
ADD 12 5 7 2 1 0.24152295
END MULTIPOLE
REDUCEDMATRIX TRANSI ^1+ 1- 2- 0 MULTIPOLE 6 5
ADD 6 1 1 3 4 -0.63245553
ADD 8 4 1 1 4 0.37796447
ADD 10 4 5 1 1 -0.37796447
ADD 12 5 5 2 1 -0.25819889
END MULTIPOLE
REDUCEDMATRIX TRANSI ^1+ 1- ^1- 0 MULTIPOLE 6 8
ADD 6 1 1 3 4 -0.44721360
ADD 7 1 5 3 3 0.53452248
ADD 8 4 1 1 4 -0.53452248
ADD 9 4 5 1 3 0.13363062
ADD 10 4 8 1 1 -0.40089186
ADD 11 5 5 2 3 0.40089186
ADD 12 5 8 2 1 0.45643546
END MULTIPOLE
REDUCEDMATRIX TRANSI ^1+ 1- ^0- 0 MULTIPOLE 6 3
ADD 7 1 1 3 3 0.37796447
ADD 9 4 1 1 3 0.37796447
ADD 11 5 1 2 3 -0.37796447
END MULTIPOLE
REDUCEDMATRIX TRANSI ^0+ 1- ^1- 0 MULTIPOLE 1 8
ADD 8 1 1 1 4 0.37796447
ADD 9 1 5 1 3 -0.37796447
ADD 10 1 8 1 1 -0.37796447
END MULTIPOLE
REDUCEDMATRIX GROUND 0+ 0+ 0+ 0 HAMILTONIAN 4 4
END HAMILTONIAN
REDUCEDMATRIX GROUND 1+ 0+ 1+ 0 HAMILTONIAN 4 4
END HAMILTONIAN
REDUCEDMATRIX GROUND 2+ 0+ 2+ 0 HAMILTONIAN 5 5
END HAMILTONIAN
REDUCEDMATRIX GROUND ^1+ 0+ ^1+ 0 HAMILTONIAN 6 6
END HAMILTONIAN
REDUCEDMATRIX GROUND ^0+ 0+ ^0+ 0 HAMILTONIAN 1 1
END HAMILTONIAN
REDUCEDMATRIX GROUND 0+ 0+ 0+ 0 CRYSTAL 4 4
END CRYSTAL
REDUCEDMATRIX GROUND 1+ 0+ 1+ 0 CRYSTAL 4 4
END CRYSTAL
REDUCEDMATRIX GROUND 2+ 0+ 2+ 0 CRYSTAL 5 5
END CRYSTAL
REDUCEDMATRIX GROUND ^1+ 0+ ^1+ 0 CRYSTAL 6 6
END CRYSTAL
REDUCEDMATRIX GROUND ^0+ 0+ ^0+ 0 CRYSTAL 1 1
END CRYSTAL
REDUCEDMATRIX EXCITE 0- 0+ 0- 0 HAMILTONIAN 2 2
END HAMILTONIAN
REDUCEDMATRIX EXCITE 1- 0+ 1- 0 HAMILTONIAN 7 7
END HAMILTONIAN
REDUCEDMATRIX EXCITE 2- 0+ 2- 0 HAMILTONIAN 5 5
END HAMILTONIAN
REDUCEDMATRIX EXCITE ^1- 0+ ^1- 0 HAMILTONIAN 8 8
END HAMILTONIAN
REDUCEDMATRIX EXCITE ^0- 0+ ^0- 0 HAMILTONIAN 3 3
END HAMILTONIAN
REDUCEDMATRIX EXCITE 0- 0+ 0- 0 CRYSTAL 2 2
END CRYSTAL
REDUCEDMATRIX EXCITE 1- 0+ 1- 0 CRYSTAL 7 7
END CRYSTAL
REDUCEDMATRIX EXCITE 2- 0+ 2- 0 CRYSTAL 5 5
END CRYSTAL
REDUCEDMATRIX EXCITE ^1- 0+ ^1- 0 CRYSTAL 8 8
END CRYSTAL
REDUCEDMATRIX EXCITE ^0- 0+ ^0- 0 CRYSTAL 3 3
END CRYSTAL
IRREP GROUND 0+ MULT 5 DIM 1
IRREP GROUND 1+ MULT 13 DIM 3
IRREP GROUND 2+ MULT 8 DIM 2
IRREP GROUND ^1+ MULT 12 DIM 3
IRREP GROUND ^0+ MULT 4 DIM 1
IRREP EXCITE 0- MULT 2 DIM 1
IRREP EXCITE 1- MULT 7 DIM 3
IRREP EXCITE 2- MULT 5 DIM 2
IRREP EXCITE ^1- MULT 8 DIM 3
IRREP EXCITE ^0- MULT 3 DIM 1
REDUCEDMATRIX TRANSI 0+ 1- 1- 0 MULTIPOLE 5 7
ADD 1 1 1 2 3 1.00000000
ADD 11 3 4 3 3 0.33333333
ADD 12 3 7 3 1 -0.33333333
END MULTIPOLE
REDUCEDMATRIX TRANSI 1+ 1- 0- 0 MULTIPOLE 13 2
ADD 2 1 1 4 1 1.00000000
ADD 10 5 2 4 1 0.33333333
ADD 12 9 2 3 1 0.33333333
ADD 13 12 2 1 1 +0
ADD 13 13 2 1 1 0.33333333
END MULTIPOLE
REDUCEDMATRIX TRANSI 1+ 1- 1- 0 MULTIPOLE 13 7
ADD 3 1 1 4 3 -1.00000000
ADD 9 5 4 4 3 0.40089186
ADD 10 5 7 4 1 -0.45643546
ADD 11 9 4 3 3 0.45643546
ADD 12 9 7 3 1 -0.09128709
ADD 13 12 7 1 1 0.00000000
ADD 13 13 7 1 1 0.36514837
END MULTIPOLE
REDUCEDMATRIX TRANSI 1+ 1- 2- 0 MULTIPOLE 13 5
ADD 4 1 1 4 4 0.63245553
ADD 8 5 1 4 4 0.50709255
ADD 10 5 5 4 1 0.28171808
ADD 12 9 5 3 1 -0.39440532
ADD 13 12 5 1 1 0.27272727
ADD 13 13 5 1 1 0.14342012
END MULTIPOLE
REDUCEDMATRIX TRANSI 1+ 1- ^1- 0 MULTIPOLE 13 8
ADD 4 1 1 4 4 0.77459667
ADD 8 5 1 4 4 -0.41403934
ADD 9 5 5 4 3 -0.51754917
ADD 10 5 8 4 1 0.17251639
ADD 11 9 5 3 3 0.35355339
ADD 12 9 8 3 1 -0.24152295
ADD 13 12 8 1 1 -0.44536177
ADD 13 13 8 1 1 0.08782653
END MULTIPOLE
REDUCEDMATRIX TRANSI 2+ 1- 1- 0 MULTIPOLE 8 7
ADD 5 1 1 4 3 0.63245553
ADD 7 1 4 4 3 0.50709255
ADD 11 5 4 3 3 0.28171808
ADD 12 5 7 3 1 0.39440532
ADD 13 8 7 1 1 0.23354968
END MULTIPOLE
REDUCEDMATRIX TRANSI 2+ 1- ^1- 0 MULTIPOLE 8 8
ADD 6 1 1 4 4 -0.63245553
ADD 7 1 5 4 3 -0.37796447
ADD 11 5 5 3 3 0.37796447
ADD 12 5 8 3 1 -0.25819889
ADD 13 8 8 1 1 0.35675303
END MULTIPOLE
REDUCEDMATRIX TRANSI ^1+ 1- 1- 0 MULTIPOLE 12 7
ADD 5 1 1 4 3 0.77459667
ADD 7 1 4 4 3 -0.41403934
ADD 9 5 4 4 3 0.51754917
ADD 10 5 7 4 1 0.35355339
ADD 11 9 4 3 3 0.17251639
ADD 12 9 7 3 1 0.24152295
ADD 13 12 7 1 1 0.38138504
END MULTIPOLE
REDUCEDMATRIX TRANSI ^1+ 1- 2- 0 MULTIPOLE 12 5
ADD 6 1 1 4 4 -0.63245553
ADD 8 5 1 4 4 0.37796447
ADD 10 5 5 4 1 -0.37796447
ADD 12 9 5 3 1 -0.25819889
ADD 13 12 5 1 1 0.35675303
END MULTIPOLE
REDUCEDMATRIX TRANSI ^1+ 1- ^1- 0 MULTIPOLE 12 8
ADD 6 1 1 4 4 -0.44721360
ADD 7 1 5 4 3 0.53452248
ADD 8 5 1 4 4 -0.53452248
ADD 9 5 5 4 3 0.13363062
ADD 10 5 8 4 1 -0.40089186
ADD 11 9 5 3 3 0.40089186
ADD 12 9 8 3 1 0.45643546
ADD 13 12 8 1 1 0.00000000
END MULTIPOLE
REDUCEDMATRIX TRANSI ^1+ 1- ^0- 0 MULTIPOLE 12 3
ADD 7 1 1 4 3 0.37796447
ADD 9 5 1 4 3 0.37796447
ADD 11 9 1 3 3 -0.37796447
END MULTIPOLE
REDUCEDMATRIX TRANSI ^0+ 1- ^1- 0 MULTIPOLE 4 8
ADD 8 1 1 4 4 0.37796447
ADD 9 1 5 4 3 -0.37796447
ADD 10 1 8 4 1 -0.37796447
END MULTIPOLE
REDUCEDMATRIX GROUND 0+ 0+ 0+ 0 HAMILTONIAN 5 5
END HAMILTONIAN
REDUCEDMATRIX GROUND 1+ 0+ 1+ 0 HAMILTONIAN 13 13
END HAMILTONIAN
REDUCEDMATRIX GROUND 2+ 0+ 2+ 0 HAMILTONIAN 8 8
END HAMILTONIAN
REDUCEDMATRIX GROUND ^1+ 0+ ^1+ 0 HAMILTONIAN 12 12
END HAMILTONIAN
REDUCEDMATRIX GROUND ^0+ 0+ ^0+ 0 HAMILTONIAN 4 4
END HAMILTONIAN
REDUCEDMATRIX GROUND 0+ 0+ 0+ 0 CRYSTAL 5 5
END CRYSTAL
REDUCEDMATRIX GROUND 1+ 0+ 1+ 0 CRYSTAL 13 13
END CRYSTAL
REDUCEDMATRIX GROUND 2+ 0+ 2+ 0 CRYSTAL 8 8
END CRYSTAL
REDUCEDMATRIX GROUND ^1+ 0+ ^1+ 0 CRYSTAL 12 12
END CRYSTAL
REDUCEDMATRIX GROUND ^0+ 0+ ^0+ 0 CRYSTAL 4 4
END CRYSTAL
REDUCEDMATRIX EXCITE 0- 0+ 0- 0 HAMILTONIAN 2 2
END HAMILTONIAN
REDUCEDMATRIX EXCITE 1- 0+ 1- 0 HAMILTONIAN 7 7
END HAMILTONIAN
REDUCEDMATRIX EXCITE 2- 0+ 2- 0 HAMILTONIAN 5 5
END HAMILTONIAN
REDUCEDMATRIX EXCITE ^1- 0+ ^1- 0 HAMILTONIAN 8 8
END HAMILTONIAN
REDUCEDMATRIX EXCITE ^0- 0+ ^0- 0 HAMILTONIAN 3 3
END HAMILTONIAN
REDUCEDMATRIX EXCITE 0- 0+ 0- 0 CRYSTAL 2 2
END CRYSTAL
REDUCEDMATRIX EXCITE 1- 0+ 1- 0 CRYSTAL 7 7
END CRYSTAL
REDUCEDMATRIX EXCITE 2- 0+ 2- 0 CRYSTAL 5 5
END CRYSTAL
REDUCEDMATRIX EXCITE ^1- 0+ ^1- 0 CRYSTAL 8 8
END CRYSTAL
REDUCEDMATRIX EXCITE ^0- 0+ ^0- 0 CRYSTAL 3 3
END CRYSTAL
IRREP GROUND 0+ MULT 4 DIM 1
IRREP GROUND 1+ MULT 4 DIM 3
IRREP GROUND 2+ MULT 5 DIM 2
IRREP GROUND ^1+ MULT 6 DIM 3
IRREP GROUND ^0+ MULT 1 DIM 1
IRREP EXCITE 0+ MULT 5 DIM 1
IRREP EXCITE 1+ MULT 13 DIM 3
IRREP EXCITE 2+ MULT 8 DIM 2
IRREP EXCITE ^1+ MULT 12 DIM 3
IRREP EXCITE ^0+ MULT 4 DIM 1
REDUCEDMATRIX TRANSI 0+ 0+ 0+ 0 EGHYBR 4 5
ADD 88 1 1 2 2 0.89442719
ADD 92 3 3 2 3 0.29814240
ADD 111 1 3 2 3 1.09544511
ADD 124 3 1 2 2 1.09544511
ADD 128 3 3 2 3 0.52357031
END EGHYBR
REDUCEDMATRIX TRANSI 1+ 0+ 1+ 0 EGHYBR 4 13
ADD 89 1 1 1 4 0.89442719
ADD 91 2 5 1 4 0.58554004
ADD 92 3 9 2 3 0.51639778
ADD 112 1 5 1 4 1.09544512
ADD 113 1 9 1 3 1.09544511
ADD 114 1 12 1 1 +0
ADD 114 1 13 1 1 1.09544512
ADD 119 2 1 1 4 1.09544512
ADD 121 2 5 1 4 0.70064905
ADD 122 2 9 1 3 -0.61791438
ADD 123 2 12 1 1 0.92640848
ADD 123 2 13 1 1 0.21922826
ADD 125 3 1 2 4 -1.09544511
ADD 127 3 5 2 4 0.61791438
ADD 128 3 9 2 3 0.45342519
ADD 129 3 12 2 1 0.55584509
ADD 129 3 13 2 1 -0.51153261
END EGHYBR
REDUCEDMATRIX TRANSI 2+ 0+ 2+ 0 EGHYBR 5 8
ADD 90 1 1 3 4 0.56568542
ADD 92 4 5 2 3 0.42163702
ADD 115 1 1 3 4 0.84852814
ADD 117 1 5 3 3 0.93419873
ADD 118 1 8 3 1 0.57207755
ADD 126 4 1 2 4 0.93419873
ADD 128 4 5 2 3 0.10577718
ADD 129 4 8 2 1 -0.77730033
END EGHYBR
REDUCEDMATRIX TRANSI ^1+ 0+ ^1+ 0 EGHYBR 6 12
ADD 90 1 1 3 4 0.69282032
ADD 91 4 5 1 4 0.58554004
ADD 92 5 9 2 3 0.51639778
ADD 115 1 1 3 4 -0.69282032
ADD 116 1 5 3 4 1.09544512
ADD 117 1 9 3 3 0.57207755
ADD 118 1 12 3 1 0.93419873
ADD 120 4 1 1 4 -1.09544512
ADD 121 4 5 1 4 -0.23354968
ADD 122 4 9 1 3 -0.90453403
ADD 123 4 12 1 1 0.54194676
ADD 126 5 1 2 4 0.57207755
ADD 127 5 5 2 4 0.90453403
ADD 128 5 9 2 3 -0.84207536
ADD 129 5 12 2 1 -0.15866577
END EGHYBR
REDUCEDMATRIX TRANSI ^0+ 0+ ^0+ 0 EGHYBR 1 4
ADD 91 1 1 1 4 0.33806170
ADD 121 1 1 1 4 -0.80903983
END EGHYBR
REDUCEDMATRIX TRANSI 0+ 0+ 0+ 0 T2GHYBR 4 5
ADD 88 1 1 2 2 1.34164079
ADD 92 3 3 2 3 0.44721360
ADD 111 1 3 2 3 -1.09544511
ADD 124 3 1 2 2 -1.09544511
ADD 128 3 3 2 3 -0.52357031
END T2GHYBR
REDUCEDMATRIX TRANSI 1+ 0+ 1+ 0 T2GHYBR 4 13
ADD 89 1 1 1 4 1.34164079
ADD 91 2 5 1 4 0.87831007
ADD 92 3 9 2 3 0.77459667
ADD 112 1 5 1 4 -1.09544512
ADD 113 1 9 1 3 -1.09544511
ADD 114 1 12 1 1 +0
ADD 114 1 13 1 1 -1.09544512
ADD 119 2 1 1 4 -1.09544512
ADD 121 2 5 1 4 -0.70064905
ADD 122 2 9 1 3 0.61791438
ADD 123 2 12 1 1 -0.92640848
ADD 123 2 13 1 1 -0.21922826
ADD 125 3 1 2 4 1.09544511
ADD 127 3 5 2 4 -0.61791438
ADD 128 3 9 2 3 -0.45342519
ADD 129 3 12 2 1 -0.55584509
ADD 129 3 13 2 1 0.51153261
END T2GHYBR
REDUCEDMATRIX TRANSI 2+ 0+ 2+ 0 T2GHYBR 5 8
ADD 90 1 1 3 4 0.84852814
ADD 92 4 5 2 3 0.63245553
ADD 115 1 1 3 4 -0.84852814
ADD 117 1 5 3 3 -0.93419873
ADD 118 1 8 3 1 -0.57207755
ADD 126 4 1 2 4 -0.93419873
ADD 128 4 5 2 3 -0.10577718
ADD 129 4 8 2 1 0.77730033
END T2GHYBR
REDUCEDMATRIX TRANSI ^1+ 0+ ^1+ 0 T2GHYBR 6 12
ADD 90 1 1 3 4 1.03923048
ADD 91 4 5 1 4 0.87831007
ADD 92 5 9 2 3 0.77459667
ADD 115 1 1 3 4 0.69282032
ADD 116 1 5 3 4 -1.09544512
ADD 117 1 9 3 3 -0.57207755
ADD 118 1 12 3 1 -0.93419873
ADD 120 4 1 1 4 1.09544512
ADD 121 4 5 1 4 0.23354968
ADD 122 4 9 1 3 0.90453403
ADD 123 4 12 1 1 -0.54194676
ADD 126 5 1 2 4 -0.57207755
ADD 127 5 5 2 4 -0.90453403
ADD 128 5 9 2 3 0.84207536
ADD 129 5 12 2 1 0.15866577
END T2GHYBR
REDUCEDMATRIX TRANSI ^0+ 0+ ^0+ 0 T2GHYBR 1 4
ADD 91 1 1 1 4 0.50709255
ADD 121 1 1 1 4 0.80903983
END T2GHYBR
REDUCEDMATRIX GROUND 0+ 0+ 0+ 0 HAMILTONIAN 4 4
ADD 130 1 1 2 2 1.00000000
ADD 134 3 3 2 2 0.33333333
END HAMILTONIAN
REDUCEDMATRIX GROUND 1+ 0+ 1+ 0 HAMILTONIAN 4 4
ADD 131 1 1 1 1 1.00000000
ADD 133 2 2 1 1 0.65465367
ADD 134 3 3 2 2 0.57735027
END HAMILTONIAN
REDUCEDMATRIX GROUND 2+ 0+ 2+ 0 HAMILTONIAN 5 5
ADD 132 1 1 3 3 0.63245553
ADD 134 4 4 2 2 0.47140452
END HAMILTONIAN
REDUCEDMATRIX GROUND ^1+ 0+ ^1+ 0 HAMILTONIAN 6 6
ADD 132 1 1 3 3 0.77459667
ADD 133 4 4 1 1 0.65465367
ADD 134 5 5 2 2 0.57735027
END HAMILTONIAN
REDUCEDMATRIX GROUND ^0+ 0+ ^0+ 0 HAMILTONIAN 1 1
ADD 133 1 1 1 1 0.37796447
END HAMILTONIAN
REDUCEDMATRIX GROUND 0+ 0+ 0+ 0 CRYSTAL 4 4
ADD 22 1 3 2 2 1.09544511
ADD 32 3 1 2 2 1.09544511
ADD 36 3 3 2 2 0.52357031
END CRYSTAL
REDUCEDMATRIX GROUND 1+ 0+ 1+ 0 CRYSTAL 4 4
ADD 23 1 2 1 1 1.09544512
ADD 24 1 3 1 2 1.09544511
ADD 28 2 1 1 1 1.09544512
ADD 30 2 2 1 1 0.70064905
ADD 31 2 3 1 2 -0.61791438
ADD 33 3 1 2 1 -1.09544511
ADD 35 3 2 2 1 0.61791438
ADD 36 3 3 2 2 0.45342519
END CRYSTAL
REDUCEDMATRIX GROUND 2+ 0+ 2+ 0 CRYSTAL 5 5
ADD 25 1 1 3 3 0.84852814
ADD 27 1 4 3 2 0.93419873
ADD 34 4 1 2 3 0.93419873
ADD 36 4 4 2 2 0.10577718
END CRYSTAL
REDUCEDMATRIX GROUND ^1+ 0+ ^1+ 0 CRYSTAL 6 6
ADD 25 1 1 3 3 -0.69282032
ADD 26 1 4 3 1 1.09544512
ADD 27 1 5 3 2 0.57207755
ADD 29 4 1 1 3 -1.09544512
ADD 30 4 4 1 1 -0.23354968
ADD 31 4 5 1 2 -0.90453403
ADD 34 5 1 2 3 0.57207755
ADD 35 5 4 2 1 0.90453403
ADD 36 5 5 2 2 -0.84207536
END CRYSTAL
REDUCEDMATRIX GROUND ^0+ 0+ ^0+ 0 CRYSTAL 1 1
ADD 30 1 1 1 1 -0.80903983
END CRYSTAL
REDUCEDMATRIX EXCITE 0+ 0+ 0+ 0 HAMILTONIAN 5 5
ADD 135 1 1 2 2 1.00000000
ADD 139 3 3 3 3 0.33333333
END HAMILTONIAN
REDUCEDMATRIX EXCITE 1+ 0+ 1+ 0 HAMILTONIAN 13 13
ADD 136 1 1 4 4 1.00000000
ADD 138 5 5 4 4 0.65465367
ADD 139 9 9 3 3 0.57735027
ADD 140 12 12 1 1 0.52223297
ADD 140 12 13 1 1 +0
ADD 140 13 12 1 1 +0
ADD 140 13 13 1 1 0.52223297
END HAMILTONIAN
REDUCEDMATRIX EXCITE 2+ 0+ 2+ 0 HAMILTONIAN 8 8
ADD 137 1 1 4 4 0.63245553
ADD 139 5 5 3 3 0.47140452
ADD 140 8 8 1 1 0.42640143
END HAMILTONIAN
REDUCEDMATRIX EXCITE ^1+ 0+ ^1+ 0 HAMILTONIAN 12 12
ADD 137 1 1 4 4 0.77459667
ADD 138 5 5 4 4 0.65465367
ADD 139 9 9 3 3 0.57735027
ADD 140 12 12 1 1 0.52223297
END HAMILTONIAN
REDUCEDMATRIX EXCITE ^0+ 0+ ^0+ 0 HAMILTONIAN 4 4
ADD 138 1 1 4 4 0.37796447
END HAMILTONIAN
REDUCEDMATRIX EXCITE 0+ 0+ 0+ 0 CRYSTAL 5 5
ADD 64 1 3 2 3 1.09544511
ADD 77 3 1 3 2 1.09544511
ADD 81 3 3 3 3 0.52357031
END CRYSTAL
REDUCEDMATRIX EXCITE 1+ 0+ 1+ 0 CRYSTAL 13 13
ADD 65 1 5 4 4 1.09544512
ADD 66 1 9 4 3 1.09544511
ADD 67 1 12 4 1 +0
ADD 67 1 13 4 1 1.09544512
ADD 72 5 1 4 4 1.09544512
ADD 74 5 5 4 4 0.70064905
ADD 75 5 9 4 3 -0.61791438
ADD 76 5 12 4 1 0.92640848
ADD 76 5 13 4 1 0.21922826
ADD 78 9 1 3 4 -1.09544511
ADD 80 9 5 3 4 0.61791438
ADD 81 9 9 3 3 0.45342519
ADD 82 9 12 3 1 0.55584509
ADD 82 9 13 3 1 -0.51153261
ADD 83 12 1 1 4 +0
ADD 83 13 1 1 4 1.09544512
ADD 85 12 5 1 4 0.92640848
ADD 85 13 5 1 4 0.21922826
ADD 86 12 9 1 3 -0.55584509
ADD 86 13 9 1 3 0.51153261
ADD 87 12 12 1 1 -0.65435471
ADD 87 12 13 1 1 0.15800876
ADD 87 13 12 1 1 0.15800876
ADD 87 13 13 1 1 0.65435471
END CRYSTAL
REDUCEDMATRIX EXCITE 2+ 0+ 2+ 0 CRYSTAL 8 8
ADD 68 1 1 4 4 0.84852814
ADD 70 1 5 4 3 0.93419873
ADD 71 1 8 4 1 0.57207755
ADD 79 5 1 3 4 0.93419873
ADD 81 5 5 3 3 0.10577718
ADD 82 5 8 3 1 -0.77730033
ADD 84 8 1 1 4 -0.57207755
ADD 86 8 5 1 3 0.77730033
ADD 87 8 8 1 1 -0.41979016
END CRYSTAL
REDUCEDMATRIX EXCITE ^1+ 0+ ^1+ 0 CRYSTAL 12 12
ADD 68 1 1 4 4 -0.69282032
ADD 69 1 5 4 4 1.09544512
ADD 70 1 9 4 3 0.57207755
ADD 71 1 12 4 1 0.93419873
ADD 73 5 1 4 4 -1.09544512
ADD 74 5 5 4 4 -0.23354968
ADD 75 5 9 4 3 -0.90453403
ADD 76 5 12 4 1 0.54194676
ADD 79 9 1 3 4 0.57207755
ADD 80 9 5 3 4 0.90453403
ADD 81 9 9 3 3 -0.84207536
ADD 82 9 12 3 1 -0.15866577
ADD 84 12 1 1 4 -0.93419873
ADD 85 12 5 1 4 0.54194676
ADD 86 12 9 1 3 0.15866577
ADD 87 12 12 1 1 0.34275723
END CRYSTAL
REDUCEDMATRIX EXCITE ^0+ 0+ ^0+ 0 CRYSTAL 4 4
ADD 74 1 1 4 4 -0.80903983
END CRYSTAL
IRREP GROUND 0- MULT 2 DIM 1
IRREP GROUND 1- MULT 7 DIM 3
IRREP GROUND 2- MULT 5 DIM 2
IRREP GROUND ^1- MULT 8 DIM 3
IRREP GROUND ^0- MULT 3 DIM 1
IRREP EXCITE 0- MULT 2 DIM 1
IRREP EXCITE 1- MULT 7 DIM 3
IRREP EXCITE 2- MULT 5 DIM 2
IRREP EXCITE ^1- MULT 8 DIM 3
IRREP EXCITE ^0- MULT 3 DIM 1
REDUCEDMATRIX TRANSI 0- 0+ 0- 0 EGHYBR 2 2
ADD 73 1 1 1 1 0.89442719
ADD 77 2 2 1 1 0.29814240
ADD 94 1 2 1 1 1.09544511
ADD 104 2 1 1 1 1.09544511
ADD 108 2 2 1 1 0.52357031
END EGHYBR
REDUCEDMATRIX TRANSI 1- 0+ 1- 0 EGHYBR 7 7
ADD 74 1 1 3 3 0.89442719
ADD 76 4 4 3 3 0.58554004
ADD 77 7 7 1 1 0.51639778
ADD 95 1 4 3 3 1.09544512
ADD 96 1 7 3 1 1.09544511
ADD 100 4 1 3 3 1.09544512
ADD 102 4 4 3 3 0.70064905
ADD 103 4 7 3 1 -0.61791438
ADD 105 7 1 1 3 -1.09544511
ADD 107 7 4 1 3 0.61791438
ADD 108 7 7 1 1 0.45342519
END EGHYBR
REDUCEDMATRIX TRANSI 2- 0+ 2- 0 EGHYBR 5 5
ADD 75 1 1 4 4 0.56568542
ADD 77 5 5 1 1 0.42163702
ADD 97 1 1 4 4 0.84852814
ADD 99 1 5 4 1 0.93419873
ADD 106 5 1 1 4 0.93419873
ADD 108 5 5 1 1 0.10577718
END EGHYBR
REDUCEDMATRIX TRANSI ^1- 0+ ^1- 0 EGHYBR 8 8
ADD 75 1 1 4 4 0.69282032
ADD 76 5 5 3 3 0.58554004
ADD 77 8 8 1 1 0.51639778
ADD 97 1 1 4 4 -0.69282032
ADD 98 1 5 4 3 1.09544512
ADD 99 1 8 4 1 0.57207755
ADD 101 5 1 3 4 -1.09544512
ADD 102 5 5 3 3 -0.23354968
ADD 103 5 8 3 1 -0.90453403
ADD 106 8 1 1 4 0.57207755
ADD 107 8 5 1 3 0.90453403
ADD 108 8 8 1 1 -0.84207536
END EGHYBR
REDUCEDMATRIX TRANSI ^0- 0+ ^0- 0 EGHYBR 3 3
ADD 76 1 1 3 3 0.33806170
ADD 102 1 1 3 3 -0.80903983
END EGHYBR
REDUCEDMATRIX TRANSI 0- 0+ 0- 0 T2GHYBR 2 2
ADD 73 1 1 1 1 1.34164079
ADD 77 2 2 1 1 0.44721360
ADD 94 1 2 1 1 -1.09544511
ADD 104 2 1 1 1 -1.09544511
ADD 108 2 2 1 1 -0.52357031
END T2GHYBR
REDUCEDMATRIX TRANSI 1- 0+ 1- 0 T2GHYBR 7 7
ADD 74 1 1 3 3 1.34164079
ADD 76 4 4 3 3 0.87831007
ADD 77 7 7 1 1 0.77459667
ADD 95 1 4 3 3 -1.09544512
ADD 96 1 7 3 1 -1.09544511
ADD 100 4 1 3 3 -1.09544512
ADD 102 4 4 3 3 -0.70064905
ADD 103 4 7 3 1 0.61791438
ADD 105 7 1 1 3 1.09544511
ADD 107 7 4 1 3 -0.61791438
ADD 108 7 7 1 1 -0.45342519
END T2GHYBR
REDUCEDMATRIX TRANSI 2- 0+ 2- 0 T2GHYBR 5 5
ADD 75 1 1 4 4 0.84852814
ADD 77 5 5 1 1 0.63245553
ADD 97 1 1 4 4 -0.84852814
ADD 99 1 5 4 1 -0.93419873
ADD 106 5 1 1 4 -0.93419873
ADD 108 5 5 1 1 -0.10577718
END T2GHYBR
REDUCEDMATRIX TRANSI ^1- 0+ ^1- 0 T2GHYBR 8 8
ADD 75 1 1 4 4 1.03923048
ADD 76 5 5 3 3 0.87831007
ADD 77 8 8 1 1 0.77459667
ADD 97 1 1 4 4 0.69282032
ADD 98 1 5 4 3 -1.09544512
ADD 99 1 8 4 1 -0.57207755
ADD 101 5 1 3 4 1.09544512
ADD 102 5 5 3 3 0.23354968
ADD 103 5 8 3 1 0.90453403
ADD 106 8 1 1 4 -0.57207755
ADD 107 8 5 1 3 -0.90453403
ADD 108 8 8 1 1 0.84207536
END T2GHYBR
REDUCEDMATRIX TRANSI ^0- 0+ ^0- 0 T2GHYBR 3 3
ADD 76 1 1 3 3 0.50709255
ADD 102 1 1 3 3 0.80903983
END T2GHYBR
REDUCEDMATRIX GROUND 0- 0+ 0- 0 HAMILTONIAN 2 2
ADD 109 1 1 1 1 1.00000000
ADD 113 2 2 1 1 0.33333333
END HAMILTONIAN
REDUCEDMATRIX GROUND 1- 0+ 1- 0 HAMILTONIAN 7 7
ADD 110 1 1 3 3 1.00000000
ADD 112 4 4 3 3 0.65465367
ADD 113 7 7 1 1 0.57735027
END HAMILTONIAN
REDUCEDMATRIX GROUND 2- 0+ 2- 0 HAMILTONIAN 5 5
ADD 111 1 1 4 4 0.63245553
ADD 113 5 5 1 1 0.47140452
END HAMILTONIAN
REDUCEDMATRIX GROUND ^1- 0+ ^1- 0 HAMILTONIAN 8 8
ADD 111 1 1 4 4 0.77459667
ADD 112 5 5 3 3 0.65465367
ADD 113 8 8 1 1 0.57735027
END HAMILTONIAN
REDUCEDMATRIX GROUND ^0- 0+ ^0- 0 HAMILTONIAN 3 3
ADD 112 1 1 3 3 0.37796447
END HAMILTONIAN
REDUCEDMATRIX GROUND 0- 0+ 0- 0 CRYSTAL 2 2
ADD 22 1 2 1 1 1.09544511
ADD 32 2 1 1 1 1.09544511
ADD 36 2 2 1 1 0.52357031
END CRYSTAL
REDUCEDMATRIX GROUND 1- 0+ 1- 0 CRYSTAL 7 7
ADD 23 1 4 3 3 1.09544512
ADD 24 1 7 3 1 1.09544511
ADD 28 4 1 3 3 1.09544512
ADD 30 4 4 3 3 0.70064905
ADD 31 4 7 3 1 -0.61791438
ADD 33 7 1 1 3 -1.09544511
ADD 35 7 4 1 3 0.61791438
ADD 36 7 7 1 1 0.45342519
END CRYSTAL
REDUCEDMATRIX GROUND 2- 0+ 2- 0 CRYSTAL 5 5
ADD 25 1 1 4 4 0.84852814
ADD 27 1 5 4 1 0.93419873
ADD 34 5 1 1 4 0.93419873
ADD 36 5 5 1 1 0.10577718
END CRYSTAL
REDUCEDMATRIX GROUND ^1- 0+ ^1- 0 CRYSTAL 8 8
ADD 25 1 1 4 4 -0.69282032
ADD 26 1 5 4 3 1.09544512
ADD 27 1 8 4 1 0.57207755
ADD 29 5 1 3 4 -1.09544512
ADD 30 5 5 3 3 -0.23354968
ADD 31 5 8 3 1 -0.90453403
ADD 34 8 1 1 4 0.57207755
ADD 35 8 5 1 3 0.90453403
ADD 36 8 8 1 1 -0.84207536
END CRYSTAL
REDUCEDMATRIX GROUND ^0- 0+ ^0- 0 CRYSTAL 3 3
ADD 30 1 1 3 3 -0.80903983
END CRYSTAL
REDUCEDMATRIX EXCITE 0- 0+ 0- 0 HAMILTONIAN 2 2
ADD 114 1 1 1 1 1.00000000
ADD 118 2 2 1 1 0.33333333
END HAMILTONIAN
REDUCEDMATRIX EXCITE 1- 0+ 1- 0 HAMILTONIAN 7 7
ADD 115 1 1 3 3 1.00000000
ADD 117 4 4 3 3 0.65465367
ADD 118 7 7 1 1 0.57735027
END HAMILTONIAN
REDUCEDMATRIX EXCITE 2- 0+ 2- 0 HAMILTONIAN 5 5
ADD 116 1 1 4 4 0.63245553
ADD 118 5 5 1 1 0.47140452
END HAMILTONIAN
REDUCEDMATRIX EXCITE ^1- 0+ ^1- 0 HAMILTONIAN 8 8
ADD 116 1 1 4 4 0.77459667
ADD 117 5 5 3 3 0.65465367
ADD 118 8 8 1 1 0.57735027
END HAMILTONIAN
REDUCEDMATRIX EXCITE ^0- 0+ ^0- 0 HAMILTONIAN 3 3
ADD 117 1 1 3 3 0.37796447
END HAMILTONIAN
REDUCEDMATRIX EXCITE 0- 0+ 0- 0 CRYSTAL 2 2
ADD 58 1 2 1 1 1.09544511
ADD 68 2 1 1 1 1.09544511
ADD 72 2 2 1 1 0.52357031
END CRYSTAL
REDUCEDMATRIX EXCITE 1- 0+ 1- 0 CRYSTAL 7 7
ADD 59 1 4 3 3 1.09544512
ADD 60 1 7 3 1 1.09544511
ADD 64 4 1 3 3 1.09544512
ADD 66 4 4 3 3 0.70064905
ADD 67 4 7 3 1 -0.61791438
ADD 69 7 1 1 3 -1.09544511
ADD 71 7 4 1 3 0.61791438
ADD 72 7 7 1 1 0.45342519
END CRYSTAL
REDUCEDMATRIX EXCITE 2- 0+ 2- 0 CRYSTAL 5 5
ADD 61 1 1 4 4 0.84852814
ADD 63 1 5 4 1 0.93419873
ADD 70 5 1 1 4 0.93419873
ADD 72 5 5 1 1 0.10577718
END CRYSTAL
REDUCEDMATRIX EXCITE ^1- 0+ ^1- 0 CRYSTAL 8 8
ADD 61 1 1 4 4 -0.69282032
ADD 62 1 5 4 3 1.09544512
ADD 63 1 8 4 1 0.57207755
ADD 65 5 1 3 4 -1.09544512
ADD 66 5 5 3 3 -0.23354968
ADD 67 5 8 3 1 -0.90453403
ADD 70 8 1 1 4 0.57207755
ADD 71 8 5 1 3 0.90453403
ADD 72 8 8 1 1 -0.84207536
END CRYSTAL
REDUCEDMATRIX EXCITE ^0- 0+ ^0- 0 CRYSTAL 3 3
ADD 66 1 1 3 3 -0.80903983
END CRYSTAL