mirror of https://gitlab.com/QEF/q-e.git
1803 lines
67 KiB
Plaintext
1803 lines
67 KiB
Plaintext
MPI PARALLEL VERSION
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Number of procs: 2
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PROGRAM GWL: Version 0.91
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PROGRAM GWL: Version 0.91
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Number of intervals: 118
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Number of intervals for fit: 120
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Maximum imaginary time: 11.8
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Print whole Sigma: F
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Maximum state considered: 5
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Prefix:ch4
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Rows together in FFT: 50
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Accurate treatment of conduction states
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Uses contractions on single states
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Uses no fft grid for time/space integrations
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Time grid : 3
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Frequency grid : 5
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Max frequency : 20.
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Consider states from: 1 to 5
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Maximum number of iterations in minpack: 20000
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Number of cycles over minpack: 1
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Uses LDA Hartree : T
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Uses LDA Exchange : T
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Uses SYMMETRIZED DIELECTRIC MATRIX
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Head of dielectric matrix from file
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Treatment of W divergence: 0
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Wings of dielectric matrix from file
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Offset fit : 2
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Read vcprim terms from file
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Calculates the polarization directly from the overlaps
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Polarization Calculated through Lanczos scheme
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Self-energy Calculated through Lanczos scheme
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Convolution done analytically
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Block length fequency 100
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Block length states 5
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Block length valence states 4
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Block length fequency lc 1
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Reduced disk I/O
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Uses double grid, subdivisions: 10 till : 3
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t vectors from Wannier products
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Use truncated Coulomb interaction
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Calculate Self-energy through FT
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Spin multiplicity: 1
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Partiallly occpuied states: F
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min -188 0 1 189
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max 0 0 189 189
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min pola 0
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max pola 94
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min state 1
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max state 3
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min state range 1
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max state range 3
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DB1 118
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DB2
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DB3
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N: 188 188
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Omega: 20. 20.
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freq: -188 -20. -20.
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weight: -188 0.1694915254237288 0.1694915254237288
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freq: -187 -19.83050847457627 -19.83050847457627
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freq: -185 -19.491525423728813 -19.491525423728813
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freq: -183 -19.152542372881356 -19.152542372881356
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weight: 75 0.1694915254237288 0.1694915254237288
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freq: 76 1.0169491525423728 1.0169491525423728
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weight: 76 0.1694915254237288 0.1694915254237288
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freq: 77 1.1864406779661016 1.1864406779661016
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weight: 77 0.1694915254237288 0.1694915254237288
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freq: 78 1.3559322033898304 1.3559322033898304
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weight: 78 0.1694915254237288 0.1694915254237288
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freq: 79 1.5254237288135593 1.5254237288135593
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weight: 79 0.1694915254237288 0.1694915254237288
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freq: 80 1.694915254237288 1.694915254237288
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weight: 80 0.1694915254237288 0.1694915254237288
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freq: 81 1.8644067796610169 1.8644067796610169
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weight: 81 0.1694915254237288 0.1694915254237288
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freq: 82 2.0338983050847457 2.0338983050847457
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weight: 82 0.1694915254237288 0.1694915254237288
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freq: 83 2.2033898305084745 2.2033898305084745
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weight: 83 0.1694915254237288 0.1694915254237288
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freq: 84 2.3728813559322033 2.3728813559322033
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weight: 84 0.1694915254237288 0.1694915254237288
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freq: 85 2.542372881355932 2.542372881355932
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weight: 85 0.1694915254237288 0.1694915254237288
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freq: 86 2.711864406779661 2.711864406779661
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weight: 86 0.1694915254237288 0.1694915254237288
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freq: 87 2.8813559322033897 2.8813559322033897
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weight: 87 0.1694915254237288 0.1694915254237288
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freq: 88 3.0508474576271185 3.0508474576271185
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weight: 88 0.1694915254237288 0.1694915254237288
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freq: 89 3.2203389830508473 3.2203389830508473
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weight: 89 0.1694915254237288 0.1694915254237288
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freq: 90 3.389830508474576 3.389830508474576
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weight: 90 0.1694915254237288 0.1694915254237288
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freq: 91 3.559322033898305 3.559322033898305
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weight: 91 0.1694915254237288 0.1694915254237288
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freq: 92 3.7288135593220337 3.7288135593220337
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weight: 92 0.1694915254237288 0.1694915254237288
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freq: 93 3.8983050847457625 3.8983050847457625
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weight: 93 0.1694915254237288 0.1694915254237288
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freq: 94 4.067796610169491 4.067796610169491
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weight: 94 0.1694915254237288 0.1694915254237288
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freq: 95 4.23728813559322 4.23728813559322
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weight: 95 0.1694915254237288 0.1694915254237288
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freq: 96 4.406779661016949 4.406779661016949
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weight: 96 0.1694915254237288 0.1694915254237288
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freq: 97 4.576271186440678 4.576271186440678
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weight: 97 0.1694915254237288 0.1694915254237288
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freq: 99 4.915254237288135 4.915254237288135
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weight: 99 0.1694915254237288 0.1694915254237288
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freq: 100 5.084745762711864 5.084745762711864
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weight: 102 0.1694915254237288 0.1694915254237288
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freq: 103 5.59322033898305 5.59322033898305
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weight: 103 0.1694915254237288 0.1694915254237288
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freq: 104 5.762711864406779 5.762711864406779
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weight: 104 0.1694915254237288 0.1694915254237288
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freq: 105 5.932203389830509 5.932203389830509
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weight: 105 0.1694915254237288 0.1694915254237288
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freq: 106 6.101694915254237 6.101694915254237
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weight: 106 0.1694915254237288 0.1694915254237288
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freq: 107 6.271186440677965 6.271186440677965
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weight: 107 0.1694915254237288 0.1694915254237288
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freq: 108 6.440677966101695 6.440677966101695
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weight: 108 0.1694915254237288 0.1694915254237288
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freq: 109 6.610169491525424 6.610169491525424
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weight: 109 0.1694915254237288 0.1694915254237288
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freq: 110 6.779661016949152 6.779661016949152
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weight: 110 0.1694915254237288 0.1694915254237288
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freq: 111 6.949152542372881 6.949152542372881
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weight: 111 0.1694915254237288 0.1694915254237288
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freq: 112 7.11864406779661 7.11864406779661
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weight: 112 0.1694915254237288 0.1694915254237288
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freq: 113 7.288135593220339 7.288135593220339
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weight: 113 0.1694915254237288 0.1694915254237288
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freq: 114 7.4576271186440675 7.4576271186440675
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weight: 114 0.1694915254237288 0.1694915254237288
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freq: 115 7.627118644067796 7.627118644067796
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weight: 115 0.1694915254237288 0.1694915254237288
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freq: 116 7.796610169491525 7.796610169491525
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weight: 116 0.1694915254237288 0.1694915254237288
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freq: 117 7.966101694915254 7.966101694915254
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weight: 117 0.1694915254237288 0.1694915254237288
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freq: 118 8.135593220338983 8.135593220338983
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weight: 118 0.1694915254237288 0.1694915254237288
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freq: 119 8.305084745762711 8.305084745762711
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weight: 119 0.1694915254237288 0.1694915254237288
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freq: 120 8.47457627118644 8.47457627118644
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weight: 120 0.1694915254237288 0.1694915254237288
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freq: 121 8.64406779661017 8.64406779661017
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weight: 121 0.1694915254237288 0.1694915254237288
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freq: 122 8.813559322033898 8.813559322033898
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weight: 122 0.1694915254237288 0.1694915254237288
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freq: 123 8.983050847457626 8.983050847457626
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weight: 123 0.1694915254237288 0.1694915254237288
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freq: 124 9.152542372881356 9.152542372881356
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weight: 124 0.1694915254237288 0.1694915254237288
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freq: 125 9.322033898305085 9.322033898305085
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weight: 125 0.1694915254237288 0.1694915254237288
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freq: 126 9.491525423728813 9.491525423728813
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weight: 126 0.1694915254237288 0.1694915254237288
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freq: 127 9.661016949152541 9.661016949152541
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weight: 127 0.1694915254237288 0.1694915254237288
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freq: 128 9.83050847457627 9.83050847457627
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weight: 128 0.1694915254237288 0.1694915254237288
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freq: 129 10. 10.
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weight: 129 0.1694915254237288 0.1694915254237288
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freq: 130 10.169491525423728 10.169491525423728
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weight: 130 0.1694915254237288 0.1694915254237288
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freq: 131 10.338983050847457 10.338983050847457
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weight: 131 0.1694915254237288 0.1694915254237288
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freq: 132 10.508474576271187 10.508474576271187
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weight: 132 0.1694915254237288 0.1694915254237288
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freq: 133 10.677966101694915 10.677966101694915
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weight: 133 0.1694915254237288 0.1694915254237288
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freq: 134 10.847457627118644 10.847457627118644
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weight: 134 0.1694915254237288 0.1694915254237288
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freq: 135 11.016949152542372 11.016949152542372
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weight: 135 0.1694915254237288 0.1694915254237288
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freq: 136 11.1864406779661 11.1864406779661
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weight: 136 0.1694915254237288 0.1694915254237288
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freq: 137 11.35593220338983 11.35593220338983
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weight: 137 0.1694915254237288 0.1694915254237288
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freq: 138 11.525423728813559 11.525423728813559
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weight: 138 0.1694915254237288 0.1694915254237288
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freq: 139 11.694915254237287 11.694915254237287
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weight: 139 0.1694915254237288 0.1694915254237288
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freq: 140 11.864406779661017 11.864406779661017
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weight: 140 0.1694915254237288 0.1694915254237288
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freq: 141 12.033898305084746 12.033898305084746
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weight: 141 0.1694915254237288 0.1694915254237288
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freq: 142 12.203389830508474 12.203389830508474
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weight: 142 0.1694915254237288 0.1694915254237288
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freq: 143 12.372881355932202 12.372881355932202
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weight: 143 0.1694915254237288 0.1694915254237288
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freq: 144 12.54237288135593 12.54237288135593
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weight: 144 0.1694915254237288 0.1694915254237288
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freq: 145 12.711864406779661 12.711864406779661
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weight: 145 0.1694915254237288 0.1694915254237288
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freq: 146 12.88135593220339 12.88135593220339
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weight: 146 0.1694915254237288 0.1694915254237288
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freq: 147 13.050847457627118 13.050847457627118
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weight: 147 0.1694915254237288 0.1694915254237288
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freq: 148 13.220338983050848 13.220338983050848
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weight: 148 0.1694915254237288 0.1694915254237288
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freq: 149 13.389830508474576 13.389830508474576
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weight: 149 0.1694915254237288 0.1694915254237288
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freq: 150 13.559322033898304 13.559322033898304
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weight: 150 0.1694915254237288 0.1694915254237288
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freq: 151 13.728813559322033 13.728813559322033
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weight: 151 0.1694915254237288 0.1694915254237288
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freq: 152 13.898305084745761 13.898305084745761
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weight: 152 0.1694915254237288 0.1694915254237288
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freq: 153 14.067796610169491 14.067796610169491
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weight: 153 0.1694915254237288 0.1694915254237288
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freq: 154 14.23728813559322 14.23728813559322
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weight: 154 0.1694915254237288 0.1694915254237288
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freq: 155 14.406779661016948 14.406779661016948
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weight: 155 0.1694915254237288 0.1694915254237288
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freq: 156 14.576271186440678 14.576271186440678
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weight: 156 0.1694915254237288 0.1694915254237288
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freq: 157 14.745762711864407 14.745762711864407
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weight: 157 0.1694915254237288 0.1694915254237288
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freq: 158 14.915254237288135 14.915254237288135
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weight: 158 0.1694915254237288 0.1694915254237288
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freq: 159 15.084745762711863 15.084745762711863
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weight: 159 0.1694915254237288 0.1694915254237288
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freq: 160 15.254237288135592 15.254237288135592
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weight: 160 0.1694915254237288 0.1694915254237288
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freq: 161 15.423728813559322 15.423728813559322
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weight: 161 0.1694915254237288 0.1694915254237288
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freq: 162 15.59322033898305 15.59322033898305
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weight: 162 0.1694915254237288 0.1694915254237288
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freq: 163 15.762711864406779 15.762711864406779
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weight: 163 0.1694915254237288 0.1694915254237288
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freq: 164 15.932203389830509 15.932203389830509
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weight: 164 0.1694915254237288 0.1694915254237288
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freq: 165 16.101694915254235 16.101694915254235
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weight: 165 0.1694915254237288 0.1694915254237288
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freq: 166 16.271186440677965 16.271186440677965
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weight: 166 0.1694915254237288 0.1694915254237288
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freq: 167 16.440677966101696 16.440677966101696
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weight: 167 0.1694915254237288 0.1694915254237288
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freq: 168 16.610169491525422 16.610169491525422
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weight: 168 0.1694915254237288 0.1694915254237288
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freq: 169 16.779661016949152 16.779661016949152
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weight: 169 0.1694915254237288 0.1694915254237288
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freq: 170 16.94915254237288 16.94915254237288
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weight: 170 0.1694915254237288 0.1694915254237288
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freq: 171 17.11864406779661 17.11864406779661
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weight: 171 0.1694915254237288 0.1694915254237288
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freq: 172 17.28813559322034 17.28813559322034
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weight: 172 0.1694915254237288 0.1694915254237288
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freq: 173 17.457627118644066 17.457627118644066
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weight: 173 0.1694915254237288 0.1694915254237288
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freq: 174 17.627118644067796 17.627118644067796
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weight: 174 0.1694915254237288 0.1694915254237288
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freq: 175 17.796610169491526 17.796610169491526
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weight: 175 0.1694915254237288 0.1694915254237288
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freq: 176 17.966101694915253 17.966101694915253
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weight: 176 0.1694915254237288 0.1694915254237288
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freq: 177 18.135593220338983 18.135593220338983
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weight: 177 0.1694915254237288 0.1694915254237288
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freq: 178 18.305084745762713 18.305084745762713
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weight: 178 0.1694915254237288 0.1694915254237288
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freq: 179 18.47457627118644 18.47457627118644
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weight: 179 0.1694915254237288 0.1694915254237288
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freq: 180 18.64406779661017 18.64406779661017
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weight: 180 0.1694915254237288 0.1694915254237288
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freq: 181 18.813559322033896 18.813559322033896
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weight: 181 0.1694915254237288 0.1694915254237288
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freq: 182 18.983050847457626 18.983050847457626
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weight: 182 0.1694915254237288 0.1694915254237288
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freq: 183 19.152542372881356 19.152542372881356
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weight: 183 0.1694915254237288 0.1694915254237288
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freq: 184 19.322033898305083 19.322033898305083
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weight: 184 0.1694915254237288 0.1694915254237288
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freq: 185 19.491525423728813 19.491525423728813
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weight: 185 0.1694915254237288 0.1694915254237288
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freq: 186 19.66101694915254 19.66101694915254
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weight: 186 0.1694915254237288 0.1694915254237288
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freq: 187 19.83050847457627 19.83050847457627
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weight: 187 0.1694915254237288 0.1694915254237288
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freq: 188 20. 20.
|
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weight: 188 0.1694915254237288 0.1694915254237288
|
|
ENE H (4.941728591918945,0.) (4.490381717681885,0.) (4.490381717681885,0.) (4.490381717681885,0.) (0.3620595633983612,0.)
|
|
Routine calculate_compact_pola_lanczos
|
|
*******************************
|
|
RESTART FROM POINT 3
|
|
*******************************
|
|
Routine: do_polarization_lanczos
|
|
Lanczos dimensions 137 20
|
|
Lanczos elemets: 1 20.907363870069915 12.949907557739298
|
|
Lanczos elemets: 2 20.287193006938715 12.360842701707796
|
|
Lanczos elemets: 3 17.091883124310208 12.0867681233995
|
|
Lanczos elemets: 4 17.43454160496216 12.413821574756966
|
|
Lanczos elemets: 5 17.759852374835816 12.516680849018996
|
|
Lanczos elemets: 6 22.057216540707703 12.691519047600348
|
|
Lanczos elemets: 7 22.595901263615943 12.28501503484163
|
|
Lanczos elemets: 8 23.52422086738574 12.652728873540077
|
|
Lanczos elemets: 9 28.95066902815276 10.526943565274134
|
|
Lanczos elemets: 10 22.274229278816033 11.956162549344068
|
|
Lanczos elemets: 11 22.634741999101717 12.504487506741023
|
|
Lanczos elemets: 12 18.332870093618197 11.725423454581085
|
|
Lanczos elemets: 13 16.216652129971724 10.675463962893586
|
|
Lanczos elemets: 14 15.87934183088693 10.960802967877026
|
|
Lanczos elemets: 15 16.14252463852222 10.349766558662942
|
|
Lanczos elemets: 16 15.71807154066942 10.153728161803276
|
|
Lanczos elemets: 17 15.63028638906234 10.562694747538316
|
|
Lanczos elemets: 18 15.714723666331373 10.170345312946353
|
|
Lanczos elemets: 19 14.77108747345118 10.305576076584067
|
|
Lanczos elemets: 20 13.773809858827866 10.918718764116758
|
|
Lanczos elemets: 21 17.38503184215025 11.33647636933387
|
|
Lanczos elemets: 22 14.301773379275508 13.050390356257296
|
|
Lanczos elemets: 23 19.018684662284628 12.539954835287688
|
|
Lanczos elemets: 24 19.626080029798466 12.643904683126815
|
|
Lanczos elemets: 25 17.26763399795938 12.677807969410159
|
|
Lanczos elemets: 26 14.293442493759356 11.34404783599114
|
|
Lanczos elemets: 27 15.684398199573948 11.55907451590183
|
|
Lanczos elemets: 28 19.71100634711141 13.08515199727073
|
|
Lanczos elemets: 29 14.458314034765552 12.06585602489324
|
|
Lanczos elemets: 30 14.233012374910675 11.278659114926903
|
|
Lanczos elemets: 31 15.606837151166129 12.567608458063127
|
|
Lanczos elemets: 32 19.07878569446276 12.493107416856192
|
|
Lanczos elemets: 33 19.89378569723711 12.162506364557126
|
|
Lanczos elemets: 34 19.816448447739063 13.074817129876399
|
|
Lanczos elemets: 35 25.920652947027246 11.682166183703433
|
|
Lanczos elemets: 36 17.53049122268233 11.689479581087875
|
|
Lanczos elemets: 37 21.759600401295124 12.051995848424216
|
|
Lanczos elemets: 38 17.744579948803796 11.77435754371684
|
|
Lanczos elemets: 39 15.166966627224154 10.92298913280567
|
|
Lanczos elemets: 40 15.989137727374715 10.473613771144098
|
|
Lanczos elemets: 41 21.91291106872983 12.03006811868688
|
|
Lanczos elemets: 42 12.744584657829405 9.4529275783534
|
|
Lanczos elemets: 43 14.889771106683813 10.00584934778302
|
|
Lanczos elemets: 44 12.344031239425952 9.515419838247837
|
|
Lanczos elemets: 45 16.157377276144985 11.38744859457326
|
|
Lanczos elemets: 46 12.532087056417268 10.859355118514543
|
|
Lanczos elemets: 47 11.153845677153086 9.278967337683461
|
|
Lanczos elemets: 48 13.211889319181715 10.460315465530133
|
|
Lanczos elemets: 49 12.326860847588746 9.608447692914464
|
|
Lanczos elemets: 50 9.205202179936148 9.361249971550013
|
|
Lanczos elemets: 51 15.057512592546754 10.384365839880502
|
|
Lanczos elemets: 52 9.094376295724544 7.7409486270582795
|
|
Lanczos elemets: 53 10.373767873945207 8.94973909854738
|
|
Lanczos elemets: 54 10.944509457865419 9.260900847401324
|
|
Lanczos elemets: 55 17.511322553536154 12.535044649378923
|
|
Lanczos elemets: 56 11.07238166481778 10.321242476036431
|
|
Lanczos elemets: 57 8.557607644638427 9.21351009648203
|
|
Lanczos elemets: 58 12.10416680339538 10.262821799469608
|
|
Lanczos elemets: 59 19.00776269352692 12.024755703815243
|
|
Lanczos elemets: 60 21.634478637472697 13.486916748985664
|
|
Lanczos elemets: 61 11.01708805683345 10.16316484984454
|
|
Lanczos elemets: 62 13.732658375263131 10.147452876946382
|
|
Lanczos elemets: 63 13.280081273600022 10.486035418978787
|
|
Lanczos elemets: 64 8.647098891186172 7.227440318607993
|
|
Lanczos elemets: 65 23.816253178230028 11.827724684811294
|
|
Lanczos elemets: 66 11.228756999909649 10.894410615429742
|
|
Lanczos elemets: 67 11.90595665770871 11.05534589717645
|
|
Lanczos elemets: 68 13.455340935209875 10.959867567414333
|
|
Lanczos elemets: 69 13.401832496698795 8.816186035070256
|
|
Lanczos elemets: 70 17.793001290899518 12.272710861045578
|
|
Lanczos elemets: 71 15.114068656827076 11.181794464156297
|
|
Lanczos elemets: 72 12.123567227907092 9.081772533873098
|
|
Lanczos elemets: 73 10.375010116420459 7.928311001076439
|
|
Lanczos elemets: 74 12.246653032080268 9.461147416005504
|
|
Lanczos elemets: 75 9.150828989029648 8.79457980697978
|
|
Lanczos elemets: 76 14.35555521260686 10.605210018532688
|
|
Lanczos elemets: 77 10.649160469109098 10.295389177820336
|
|
Lanczos elemets: 78 18.22876408076965 10.947148755363738
|
|
Lanczos elemets: 79 11.111770301169399 8.85330907723748
|
|
Lanczos elemets: 80 15.822470328601238 10.626711141956193
|
|
Lanczos elemets: 81 8.056554395819028 7.211591167520007
|
|
Lanczos elemets: 82 11.537418007234102 9.49630184814815
|
|
Lanczos elemets: 83 8.877583889781121 7.736017592749911
|
|
Lanczos elemets: 84 9.383363047224313 7.919153889293224
|
|
Lanczos elemets: 85 10.451547871016823 8.345829983476989
|
|
Lanczos elemets: 86 10.877595804109479 9.393284138807093
|
|
Lanczos elemets: 87 9.572551587140842 8.050260597976532
|
|
Lanczos elemets: 88 7.366624880765736 5.534458437633285
|
|
Lanczos elemets: 89 7.571511070203255 6.876761464489636
|
|
Lanczos elemets: 90 7.68066017510548 7.041425201769411
|
|
Lanczos elemets: 91 7.9932222364671865 8.602919792856792
|
|
Lanczos elemets: 92 6.5960565690246735 6.1259201273715975
|
|
Lanczos elemets: 93 6.658343393081463 6.17472158738534
|
|
Lanczos elemets: 94 7.898091855452628 6.302345514530279
|
|
Lanczos elemets: 95 8.20004891294893 6.84502888560943
|
|
Lanczos elemets: 96 8.111567104556755 6.60328970048385
|
|
Lanczos elemets: 97 7.936776160922779 5.7130979193721885
|
|
Lanczos elemets: 98 7.745548978879387 5.637474242956153
|
|
Lanczos elemets: 99 9.471367663901624 5.861500045561365
|
|
Lanczos elemets: 100 14.134631299201345 9.855754010395097
|
|
Lanczos elemets: 101 7.990001515711009 6.5752092620067835
|
|
Lanczos elemets: 102 8.042357398125262 6.51622846554139
|
|
Lanczos elemets: 103 9.674789234714503 7.135314733010562
|
|
Lanczos elemets: 104 10.562836320314204 9.340432170640689
|
|
Lanczos elemets: 105 10.666181737144083 9.353523272653778
|
|
Lanczos elemets: 106 7.798747246445137 8.638586759335677
|
|
Lanczos elemets: 107 7.543185939140186 7.7925087983547225
|
|
Lanczos elemets: 108 7.380902786325761 7.518343809672256
|
|
Lanczos elemets: 109 7.5949835565306945 8.548464189777725
|
|
Lanczos elemets: 110 13.16231452731754 9.92417876066591
|
|
Lanczos elemets: 111 12.640866318404566 9.855349400094592
|
|
Lanczos elemets: 112 12.489943123550887 9.534208904262814
|
|
Lanczos elemets: 113 11.807217161318599 9.426835359903881
|
|
Lanczos elemets: 114 9.553453818329398 8.239445596698003
|
|
Lanczos elemets: 115 9.06896291601062 7.544188049108552
|
|
Lanczos elemets: 116 7.277066885804376 4.634099836795398
|
|
Lanczos elemets: 117 9.133588033385433 7.516007182842088
|
|
Lanczos elemets: 118 6.9612605388676325 4.779738515302345
|
|
Lanczos elemets: 119 17.680841828351518 10.855349470186685
|
|
Lanczos elemets: 120 17.56399852599654 10.878357963335691
|
|
Lanczos elemets: 121 8.730008258519742 8.656210957669229
|
|
Lanczos elemets: 122 10.76179695896155 8.14409537332601
|
|
Lanczos elemets: 123 13.557670170995005 9.320434179406375
|
|
Lanczos elemets: 124 13.552865984915414 9.349367326548645
|
|
Lanczos elemets: 125 12.582801690945963 10.938453739307667
|
|
Lanczos elemets: 126 7.529375814978942 6.731322823267893
|
|
Lanczos elemets: 127 7.573450647444096 6.7798931770218065
|
|
Lanczos elemets: 128 7.6377037174495275 6.543050137382328
|
|
Lanczos elemets: 129 7.651315446824716 6.550820052587344
|
|
Lanczos elemets: 130 9.72448922529395 8.805853034996021
|
|
Lanczos elemets: 131 7.675654425120383 7.18815758460549
|
|
Lanczos elemets: 132 7.581039929749437 7.095424416648418
|
|
Lanczos elemets: 133 7.017703712049137 6.595788496229652
|
|
Lanczos elemets: 134 8.16328010706199 7.589814060809421
|
|
Lanczos elemets: 135 8.200816884232946 7.619500301508349
|
|
Lanczos elemets: 136 8.346869886895833 7.2014608337791035
|
|
Lanczos elemets: 137 7.3855764764798515 7.528035329731779
|
|
do_polarization_lanczos1 0 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 1 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 2 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 3 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 4 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 5 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 6 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 7 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 8 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 9 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 10 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 11 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 12 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 13 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 14 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 15 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 16 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 17 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 18 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 19 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 20 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 21 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 22 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 23 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 24 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 25 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 26 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 27 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 28 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 29 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 30 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 31 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 32 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 33 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 34 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 35 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 36 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 37 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 38 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 39 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 40 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 41 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 42 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 43 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 44 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 45 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 46 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 47 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 48 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 49 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 50 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 51 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 52 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 53 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 54 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 55 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 56 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 57 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 58 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 59 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 60 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 61 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 62 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 63 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 64 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 65 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 66 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 67 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 68 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 69 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 70 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 71 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 72 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 73 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 74 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 75 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 76 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 77 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 78 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 79 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 80 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 81 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 82 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 83 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 84 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 85 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 86 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 87 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 88 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 89 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 90 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 91 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 92 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 93 F
|
|
do_polarization_lanczos iv 1
|
|
do_polarization_lanczos1 94 F
|
|
do_polarization_lanczos iv 1
|
|
Call go_dressed_w
|
|
0
|
|
Read polaw 50
|
|
call calculate_w 0
|
|
1
|
|
Read polaw 50
|
|
call calculate_w 1
|
|
2
|
|
Read polaw 50
|
|
call calculate_w 2
|
|
3
|
|
Read polaw 50
|
|
call calculate_w 3
|
|
4
|
|
Read polaw 50
|
|
call calculate_w 4
|
|
5
|
|
Read polaw 50
|
|
call calculate_w 5
|
|
6
|
|
Read polaw 50
|
|
call calculate_w 6
|
|
7
|
|
Read polaw 50
|
|
call calculate_w 7
|
|
8
|
|
Read polaw 50
|
|
call calculate_w 8
|
|
9
|
|
Read polaw 50
|
|
call calculate_w 9
|
|
10
|
|
Read polaw 50
|
|
call calculate_w 10
|
|
11
|
|
Read polaw 50
|
|
call calculate_w 11
|
|
12
|
|
Read polaw 50
|
|
call calculate_w 12
|
|
13
|
|
Read polaw 50
|
|
call calculate_w 13
|
|
14
|
|
Read polaw 50
|
|
call calculate_w 14
|
|
15
|
|
Read polaw 50
|
|
call calculate_w 15
|
|
16
|
|
Read polaw 50
|
|
call calculate_w 16
|
|
17
|
|
Read polaw 50
|
|
call calculate_w 17
|
|
18
|
|
Read polaw 50
|
|
call calculate_w 18
|
|
19
|
|
Read polaw 50
|
|
call calculate_w 19
|
|
20
|
|
Read polaw 50
|
|
call calculate_w 20
|
|
21
|
|
Read polaw 50
|
|
call calculate_w 21
|
|
22
|
|
Read polaw 50
|
|
call calculate_w 22
|
|
23
|
|
Read polaw 50
|
|
call calculate_w 23
|
|
24
|
|
Read polaw 50
|
|
call calculate_w 24
|
|
25
|
|
Read polaw 50
|
|
call calculate_w 25
|
|
26
|
|
Read polaw 50
|
|
call calculate_w 26
|
|
27
|
|
Read polaw 50
|
|
call calculate_w 27
|
|
28
|
|
Read polaw 50
|
|
call calculate_w 28
|
|
29
|
|
Read polaw 50
|
|
call calculate_w 29
|
|
30
|
|
Read polaw 50
|
|
call calculate_w 30
|
|
31
|
|
Read polaw 50
|
|
call calculate_w 31
|
|
32
|
|
Read polaw 50
|
|
call calculate_w 32
|
|
33
|
|
Read polaw 50
|
|
call calculate_w 33
|
|
34
|
|
Read polaw 50
|
|
call calculate_w 34
|
|
35
|
|
Read polaw 50
|
|
call calculate_w 35
|
|
36
|
|
Read polaw 50
|
|
call calculate_w 36
|
|
37
|
|
Read polaw 50
|
|
call calculate_w 37
|
|
38
|
|
Read polaw 50
|
|
call calculate_w 38
|
|
39
|
|
Read polaw 50
|
|
call calculate_w 39
|
|
40
|
|
Read polaw 50
|
|
call calculate_w 40
|
|
41
|
|
Read polaw 50
|
|
call calculate_w 41
|
|
42
|
|
Read polaw 50
|
|
call calculate_w 42
|
|
43
|
|
Read polaw 50
|
|
call calculate_w 43
|
|
44
|
|
Read polaw 50
|
|
call calculate_w 44
|
|
45
|
|
Read polaw 50
|
|
call calculate_w 45
|
|
46
|
|
Read polaw 50
|
|
call calculate_w 46
|
|
47
|
|
Read polaw 50
|
|
call calculate_w 47
|
|
48
|
|
Read polaw 50
|
|
call calculate_w 48
|
|
49
|
|
Read polaw 50
|
|
call calculate_w 49
|
|
50
|
|
Read polaw 50
|
|
call calculate_w 50
|
|
51
|
|
Read polaw 50
|
|
call calculate_w 51
|
|
52
|
|
Read polaw 50
|
|
call calculate_w 52
|
|
53
|
|
Read polaw 50
|
|
call calculate_w 53
|
|
54
|
|
Read polaw 50
|
|
call calculate_w 54
|
|
55
|
|
Read polaw 50
|
|
call calculate_w 55
|
|
56
|
|
Read polaw 50
|
|
call calculate_w 56
|
|
57
|
|
Read polaw 50
|
|
call calculate_w 57
|
|
58
|
|
Read polaw 50
|
|
call calculate_w 58
|
|
59
|
|
Read polaw 50
|
|
call calculate_w 59
|
|
60
|
|
Read polaw 50
|
|
call calculate_w 60
|
|
61
|
|
Read polaw 50
|
|
call calculate_w 61
|
|
62
|
|
Read polaw 50
|
|
call calculate_w 62
|
|
63
|
|
Read polaw 50
|
|
call calculate_w 63
|
|
64
|
|
Read polaw 50
|
|
call calculate_w 64
|
|
65
|
|
Read polaw 50
|
|
call calculate_w 65
|
|
66
|
|
Read polaw 50
|
|
call calculate_w 66
|
|
67
|
|
Read polaw 50
|
|
call calculate_w 67
|
|
68
|
|
Read polaw 50
|
|
call calculate_w 68
|
|
69
|
|
Read polaw 50
|
|
call calculate_w 69
|
|
70
|
|
Read polaw 50
|
|
call calculate_w 70
|
|
71
|
|
Read polaw 50
|
|
call calculate_w 71
|
|
72
|
|
Read polaw 50
|
|
call calculate_w 72
|
|
73
|
|
Read polaw 50
|
|
call calculate_w 73
|
|
74
|
|
Read polaw 50
|
|
call calculate_w 74
|
|
75
|
|
Read polaw 50
|
|
call calculate_w 75
|
|
76
|
|
Read polaw 50
|
|
call calculate_w 76
|
|
77
|
|
Read polaw 50
|
|
call calculate_w 77
|
|
78
|
|
Read polaw 50
|
|
call calculate_w 78
|
|
79
|
|
Read polaw 50
|
|
call calculate_w 79
|
|
80
|
|
Read polaw 50
|
|
call calculate_w 80
|
|
81
|
|
Read polaw 50
|
|
call calculate_w 81
|
|
82
|
|
Read polaw 50
|
|
call calculate_w 82
|
|
83
|
|
Read polaw 50
|
|
call calculate_w 83
|
|
84
|
|
Read polaw 50
|
|
call calculate_w 84
|
|
85
|
|
Read polaw 50
|
|
call calculate_w 85
|
|
86
|
|
Read polaw 50
|
|
call calculate_w 86
|
|
87
|
|
Read polaw 50
|
|
call calculate_w 87
|
|
88
|
|
Read polaw 50
|
|
call calculate_w 88
|
|
89
|
|
Read polaw 50
|
|
call calculate_w 89
|
|
90
|
|
Read polaw 50
|
|
call calculate_w 90
|
|
91
|
|
Read polaw 50
|
|
call calculate_w 91
|
|
92
|
|
Read polaw 50
|
|
call calculate_w 92
|
|
93
|
|
Read polaw 50
|
|
call calculate_w 93
|
|
94
|
|
Read polaw 50
|
|
call calculate_w 94
|
|
Trasform W to Pgreek
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
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Read polaw 50
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Read polaw 50
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Read polaw 50
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Read polaw 50
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
|
Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
|
Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
|
Read polaw 50
|
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Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
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Read polaw 50
|
|
Read polaw 50
|
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Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
|
Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
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Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Done
|
|
*******************************
|
|
RESTART FROM POINT 6
|
|
*******************************
|
|
Routine do_self_lanczos_time
|
|
Lanczos dimensions 221 40 1
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
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Read polaw 50
|
|
Read polaw 50
|
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Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
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Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Read polaw 50
|
|
Fourier trasform Pgreek
|
|
Loop on KS: 1 1
|
|
Fourier trasform:
|
|
Products in imaginary time:
|
|
Loop on KS: 2 1
|
|
Fourier trasform:
|
|
Products in imaginary time:
|
|
Loop on KS: 3 1
|
|
Fourier trasform:
|
|
Products in imaginary time:
|
|
Loop on KS: 4 1
|
|
Fourier trasform:
|
|
Products in imaginary time:
|
|
Loop on KS: 5 1
|
|
Fourier trasform:
|
|
Products in imaginary time:
|
|
Call fit_multipole
|
|
a_0 (0.,0.)
|
|
a (0.009999999776482582,0.) (0.019999999552965164,0.)
|
|
b (-0.5,-0.009999999776482582) (1.,-0.009999999776482582)
|
|
z,s (0.,0.1666666716337204) (0.06201261203518993,-0.019358232853363442) (-0.001614434534243439,-0.009708741989780289)
|
|
z,s (0.,10.083333015441895) (-0.017403115113758902,-0.12130505055114546) (-0.0001454505572673048,-0.0029505723811431095)
|
|
Grad a_0 (0.42212830439640675,15.75890010204806)
|
|
Grad a (-4.7240446099784705,0.37072725519254884)
|
|
Grad a (-2.894893556572477,-1.591789037987592)
|
|
Routine fit_multipole: chi1 > chi0
|
|
Routine fit_multipole: chi1 > chi0
|
|
Routine fit_multipole: maxiter reached 0.022902876087925822
|
|
Done
|
|
Calling minpack
|
|
Allocated
|
|
Chi0 initial: 0.022902876087925822
|
|
INFO : 2 0.00001
|
|
Minpack fit chi0 : 0.0004839932121600569
|
|
Done
|
|
FIT state : 1 1
|
|
FIT a_0: (-0.09288899720899862,-0.028538473925736118)
|
|
FIT a: 1 (0.263269587293915,0.34131812005221596)
|
|
FIT b: 1 (-1.7015349296735673,-0.6001007104902382)
|
|
FIT a: 2 (0.27344992246674077,0.9171764536472236)
|
|
FIT b: 2 (8.464873179474091,1.973363718387238)
|
|
Call fit_multipole
|
|
a_0 (0.,0.)
|
|
a (0.009999999776482582,0.) (0.019999999552965164,0.)
|
|
b (-0.5,-0.009999999776482582) (1.,-0.009999999776482582)
|
|
z,s (0.,0.1666666716337204) (-0.02598523054010976,-0.016912101890800897) (-0.001614434534243439,-0.009708741989780289)
|
|
z,s (0.,10.083333015441895) (-0.030555818679513642,-0.10878047266287035) (-0.0001454505572673048,-0.0029505723811431095)
|
|
Grad a_0 (4.986104075655374,13.685420083134032)
|
|
Grad a (-2.9853919361983814,2.2080477056014995)
|
|
Grad a (-3.5410611991150907,-0.007211466326349645)
|
|
Routine fit_multipole: chi1 > chi0
|
|
Routine fit_multipole: chi1 > chi0
|
|
Routine fit_multipole: maxiter reached 0.009380048601146562
|
|
Done
|
|
Calling minpack
|
|
Allocated
|
|
Chi0 initial: 0.009380048601146562
|
|
INFO : 2 0.00001
|
|
Minpack fit chi0 : 0.00011066951271443083
|
|
Done
|
|
FIT state : 2 1
|
|
FIT a_0: (-0.02964366267009599,-0.022391882073973045)
|
|
FIT a: 1 (0.2664068714155019,0.19790598091600523)
|
|
FIT b: 1 (-1.9363015747480223,-0.5374129617525306)
|
|
FIT a: 2 (0.8418344697783462,0.0752408023092941)
|
|
FIT b: 2 (5.271466238585698,-0.7306082622750365)
|
|
Call fit_multipole
|
|
a_0 (0.,0.)
|
|
a (0.009999999776482582,0.) (0.019999999552965164,0.)
|
|
b (-0.5,-0.009999999776482582) (1.,-0.009999999776482582)
|
|
z,s (0.,0.1666666716337204) (-0.025788951179370998,-0.016912286443600124) (-0.001614434534243439,-0.009708741989780289)
|
|
z,s (0.,10.083333015441895) (-0.030551560509771064,-0.10884497960060154) (-0.0001454505572673048,-0.0029505723811431095)
|
|
Grad a_0 (4.973793067756555,13.693351360933985)
|
|
Grad a (-2.989834108742432,2.202967741972011)
|
|
Grad a (-3.539685735383135,-0.011404668437788746)
|
|
Routine fit_multipole: chi1 > chi0
|
|
Routine fit_multipole: chi1 > chi0
|
|
Routine fit_multipole: maxiter reached 0.009448376384917882
|
|
Done
|
|
Calling minpack
|
|
Allocated
|
|
Chi0 initial: 0.009448376384917882
|
|
INFO : 2 0.00001
|
|
Minpack fit chi0 : 0.0001114190522474182
|
|
Done
|
|
FIT state : 3 1
|
|
FIT a_0: (-0.030066939589541465,-0.022218564519984847)
|
|
FIT a: 1 (0.2660397407666428,0.20014392526473693)
|
|
FIT b: 1 (-1.9338061737216592,-0.5429387167335262)
|
|
FIT a: 2 (0.8441972916492649,0.08080166715740619)
|
|
FIT b: 2 (5.291111229286791,-0.7282795519117303)
|
|
Out of create_self_energy_fit
|
|
value, zeta: 1 (0.2603357768906899,-0.0035797105327476375) (-0.39164748617630535,-0.12432863212831273) 1
|
|
XC-DFT energy 1 -1.05178768928371
|
|
H-DFT energy 1 67.23563581947754 (67.23563682451967,0.)
|
|
GW-PERT energy 1 -20.29571793724957
|
|
Iteration energy 1 (0.39000739935284584,0.05224788833315441)
|
|
Iteration energy 2 (0.3904874096447489,0.027577263390217932)
|
|
Iteration energy 3 (0.381146695430141,0.04080171768138395)
|
|
Iteration energy 4 (0.39113202703278743,0.03724190261147094)
|
|
Iteration energy 5 (0.3843754020808459,0.03543000784186179)
|
|
Iteration energy 6 (0.3873355095550119,0.03892681428110023)
|
|
Iteration energy 7 (0.38705154878235626,0.03592529274545242)
|
|
Iteration energy 8 (0.3860830080125533,0.03765253803501825)
|
|
Iteration energy 9 (0.3872529601138659,0.037084268194369455)
|
|
Iteration energy 10 (0.38640810925902225,0.03695291611926836)
|
|
value, zeta: 2 (0.00830807851544274,-0.0058895044063597204) (-0.13866529136521433,0.009014659675616469) 1
|
|
XC-DFT energy 2 -0.9868812482661686
|
|
H-DFT energy 2 61.094752506545284 (61.094750299972375,0.)
|
|
GW-PERT energy 2 -13.676141120095094
|
|
Iteration energy 1 (0.06269360397555693,-0.0036508464012795783)
|
|
Iteration energy 2 (0.0612941000078476,-0.0045889136051467765)
|
|
Iteration energy 3 (0.06154195844380733,-0.00438626885728316)
|
|
Iteration energy 4 (0.0614987321576872,-0.004429114468477317)
|
|
Iteration energy 5 (0.061506135414464924,-0.0044202237826828535)
|
|
Iteration energy 6 (0.06150489564864786,-0.004422040319321689)
|
|
Iteration energy 7 (0.06150509732553194,-0.004421674113164773)
|
|
Iteration energy 8 (0.06150506579949819,-0.00442174706432721)
|
|
Iteration energy 9 (0.06150507044299691,-0.0044217326886358994)
|
|
Iteration energy 10 (0.06150506982484977,-0.004421735493062191)
|
|
value, zeta: 3 (0.00855955247185164,-0.005950476662868694) (-0.13897909279940454,0.008982199931304965) 1
|
|
XC-DFT energy 3 -0.9868812482919485
|
|
H-DFT energy 3 61.094752508792766 (61.094750299972375,0.)
|
|
GW-PERT energy 3 -13.671878371566612
|
|
Iteration energy 1 (0.06300482050943487,-0.0036369529025886277)
|
|
Iteration energy 2 (0.061605916112590836,-0.004589599850658682)
|
|
Iteration energy 3 (0.06185348010688965,-0.004383339759896628)
|
|
Iteration energy 4 (0.06181037647169674,-0.004427030363018818)
|
|
Iteration energy 5 (0.061817737911059184,-0.004417950530098597)
|
|
Iteration energy 6 (0.06181651069586122,-0.004419808005620144)
|
|
Iteration energy 7 (0.061816708917308894,-0.0044194331832398785)
|
|
Iteration energy 8 (0.06181667828578932,-0.0044195079038584426)
|
|
Iteration energy 9 (0.06181668270820176,-0.004419493172889491)
|
|
Iteration energy 10 (0.06181668214275193,-0.004419496047120403)
|
|
value, zeta: 4 (0.008434028415909789,-0.005562055019555007) (-0.1382412033130415,0.007523323284176027) 1
|
|
XC-DFT energy 4 -0.9868812482757066
|
|
H-DFT energy 4 61.094752507441406 (61.094750299972375,0.)
|
|
GW-PERT energy 4 -13.676540940060042
|
|
Iteration energy 1 (0.06239537889821381,-0.0028891600166354205)
|
|
Iteration energy 2 (0.06107210819749667,-0.0038328613320268434)
|
|
Iteration energy 3 (0.06130081141019672,-0.0036302840370568724)
|
|
Iteration energy 4 (0.061262080659204965,-0.0036727187015638194)
|
|
Iteration energy 5 (0.061268478678930094,-0.0036640138890629732)
|
|
Iteration energy 6 (0.06126745552513907,-0.003665768820878105)
|
|
Iteration energy 7 (0.06126761192784083,-0.003665420325284219)
|
|
Iteration energy 8 (0.061267589615652845,-0.003665488599326472)
|
|
Iteration energy 9 (0.06126759242951105,-0.0036654753893873224)
|
|
Iteration energy 10 (0.061267592166146356,-0.0036654779153976746)
|
|
value, zeta: 5 (-0.048553927740493115,0.0020557367998662555) (-0.03315667638913444,-0.0032532249148312367) 1
|
|
XC-DFT energy 5 -0.15405669376161996
|
|
H-DFT energy 5 4.9260709082213605 (4.926070879996165,0.)
|
|
GW-PERT energy 5 0.2141228571881689
|
|
Iteration energy 1 (-0.05048827544842557,0.0017230661319912778)
|
|
Iteration energy 2 (-0.050487394023903495,0.001726315431475424)
|
|
Iteration energy 3 (-0.05048740413080222,0.0017261973354713127)
|
|
Iteration energy 4 (-0.050487404523075735,0.0017262014898243479)
|
|
Iteration energy 5 (-0.05048740448337241,0.0017262013483843805)
|
|
Iteration energy 6 (-0.05048740448563684,0.0017262013530342478)
|
|
Iteration energy 7 (-0.05048740448552917,0.0017262013528874139)
|
|
Iteration energy 8 (-0.050487404485533835,0.0017262013528918235)
|
|
Iteration energy 9 (-0.05048740448553364,0.0017262013528916952)
|
|
Iteration energy 10 (-0.05048740448553365,0.0017262013528917056)
|
|
QUASI-PARTICLES ENERGIES IN Ev, Spin: 1 1
|
|
State: 1DFT : -16.61246 GW-PERT : -20.29572 GW : -20.05952 HF-pert : -25.31687
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|
State: 2DFT : -9.11161 GW-PERT : -13.67614 GW : -13.58626 HF-pert : -14.42308
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State: 3DFT : -9.11161 GW-PERT : -13.67188 GW : -13.58202 HF-pert : -14.42308
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State: 4DFT : -9.11161 GW-PERT : -13.67654 GW : -13.58949 HF-pert : -14.42308
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State: 5DFT : -0.56517 GW-PERT : 0.21412 GW : 0.21358 HF-pert : 0.90049
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IMAGINARY ENERGIES IN Ev:
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State: 1 GW (Im) : 0.50277
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State: 2 GW (Im) : -0.06016
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|
State: 3 GW (Im) : -0.06013
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|
State: 4 GW (Im) : -0.04987
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|
State: 5 GW (Im) : 0.02349
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|
Stopping MPI environment
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