Program PWSCF v.5.4.0 starts on 11Feb2017 at 4: 7:38 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Li10BrN3.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 155 155 42 4867 4867 708 Max 156 156 43 4870 4870 711 Sum 5587 5587 1531 175277 175277 25519 bravais-lattice index = 14 lattice parameter (alat) = 14.0085 a.u. unit-cell volume = 1241.4902 (a.u.)^3 number of atoms/cell = 14 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.008539 celldm(2)= 1.000000 celldm(3)= 0.521476 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.521476 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.917635 ) PseudoPot. # 1 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) Li 3.00 6.94100 Li( 1.00) N 5.00 14.00670 N( 1.00) 12 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2'-3C2' 2 -6 -5 -2 5 6 180 deg rotation - cart. axis [0,1,0] 2S3 9 10 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -9 -10 inv. 60 deg rotation - cryst. axis [0,0,1] E 3s_v-3s_v 7 -7 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 8 -8 11 -12 -11 12 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 270 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 2) = ( 0.0200000 0.0115470 -0.0000000), wk = 0.0037037 k( 3) = ( 0.0400000 0.0230940 -0.0000000), wk = 0.0037037 k( 4) = ( 0.0600000 0.0346410 -0.0000000), wk = 0.0037037 k( 5) = ( 0.0800000 0.0461880 -0.0000000), wk = 0.0037037 k( 6) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0037037 k( 7) = ( 0.1200000 0.0692820 -0.0000000), wk = 0.0037037 k( 8) = ( 0.1400000 0.0808290 -0.0000000), wk = 0.0037037 k( 9) = ( 0.1600000 0.0923760 -0.0000000), wk = 0.0037037 k( 10) = ( 0.1800000 0.1039230 -0.0000000), wk = 0.0037037 k( 11) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0037037 k( 12) = ( 0.2200000 0.1270171 -0.0000000), wk = 0.0037037 k( 13) = ( 0.2400000 0.1385641 -0.0000000), wk = 0.0037037 k( 14) = ( 0.2600000 0.1501111 -0.0000000), wk = 0.0037037 k( 15) = ( 0.2800000 0.1616581 -0.0000000), wk = 0.0037037 k( 16) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0037037 k( 17) = ( 0.3200000 0.1847521 -0.0000000), wk = 0.0037037 k( 18) = ( 0.3400000 0.1962991 -0.0000000), wk = 0.0037037 k( 19) = ( 0.3600000 0.2078461 -0.0000000), wk = 0.0037037 k( 20) = ( 0.3800000 0.2193931 -0.0000000), wk = 0.0037037 k( 21) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0037037 k( 22) = ( 0.4200000 0.2424871 -0.0000000), wk = 0.0037037 k( 23) = ( 0.4400000 0.2540341 -0.0000000), wk = 0.0037037 k( 24) = ( 0.4600000 0.2655811 -0.0000000), wk = 0.0037037 k( 25) = ( 0.4800000 0.2771281 -0.0000000), wk = 0.0037037 k( 26) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037037 k( 27) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037037 k( 28) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0037037 k( 29) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0037037 k( 30) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0037037 k( 31) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0037037 k( 32) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0037037 k( 33) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0037037 k( 34) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0037037 k( 35) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0037037 k( 36) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0037037 k( 37) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0037037 k( 38) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0037037 k( 39) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0037037 k( 40) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0037037 k( 41) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0037037 k( 42) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037037 k( 43) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037037 k( 44) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0037037 k( 45) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0037037 k( 46) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0037037 k( 47) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0037037 k( 48) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0037037 k( 49) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0037037 k( 50) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0037037 k( 51) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0037037 k( 52) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0037037 k( 53) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0037037 k( 54) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0037037 k( 55) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0037037 k( 56) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0037037 k( 57) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0037037 k( 58) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0037037 k( 59) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0037037 k( 60) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0037037 k( 61) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0037037 k( 62) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0037037 k( 63) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0037037 k( 64) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0037037 k( 65) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0037037 k( 66) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0037037 k( 67) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0037037 k( 68) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0037037 k( 69) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0037037 k( 70) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0037037 k( 71) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0037037 k( 72) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 73) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 74) = ( 0.0000000 0.0000000 0.0233858), wk = 0.0037037 k( 75) = ( 0.0000000 0.0000000 0.0467716), wk = 0.0037037 k( 76) = ( 0.0000000 0.0000000 0.0701574), wk = 0.0037037 k( 77) = ( 0.0000000 0.0000000 0.0935432), wk = 0.0037037 k( 78) = ( 0.0000000 0.0000000 0.1169289), wk = 0.0037037 k( 79) = ( 0.0000000 0.0000000 0.1403147), wk = 0.0037037 k( 80) = ( 0.0000000 0.0000000 0.1637005), wk = 0.0037037 k( 81) = ( 0.0000000 0.0000000 0.1870863), wk = 0.0037037 k( 82) = ( 0.0000000 0.0000000 0.2104721), wk = 0.0037037 k( 83) = ( 0.0000000 0.0000000 0.2338579), wk = 0.0037037 k( 84) = ( 0.0000000 0.0000000 0.2572437), wk = 0.0037037 k( 85) = ( 0.0000000 0.0000000 0.2806294), wk = 0.0037037 k( 86) = ( 0.0000000 0.0000000 0.3040152), wk = 0.0037037 k( 87) = ( 0.0000000 0.0000000 0.3274010), wk = 0.0037037 k( 88) = ( 0.0000000 0.0000000 0.3507868), wk = 0.0037037 k( 89) = ( 0.0000000 0.0000000 0.3741726), wk = 0.0037037 k( 90) = ( 0.0000000 0.0000000 0.3975584), wk = 0.0037037 k( 91) = ( 0.0000000 0.0000000 0.4209442), wk = 0.0037037 k( 92) = ( 0.0000000 0.0000000 0.4443300), wk = 0.0037037 k( 93) = ( 0.0000000 0.0000000 0.4677158), wk = 0.0037037 k( 94) = ( 0.0000000 0.0000000 0.4911015), wk = 0.0037037 k( 95) = ( 0.0000000 0.0000000 0.5144873), wk = 0.0037037 k( 96) = ( 0.0000000 0.0000000 0.5378731), wk = 0.0037037 k( 97) = ( 0.0000000 0.0000000 0.5612589), wk = 0.0037037 k( 98) = ( 0.0000000 0.0000000 0.5846447), wk = 0.0037037 k( 99) = ( 0.0000000 0.0000000 0.6080305), wk = 0.0037037 k( 100) = ( 0.0000000 0.0000000 0.6314163), wk = 0.0037037 k( 101) = ( 0.0000000 0.0000000 0.6548020), wk = 0.0037037 k( 102) = ( 0.0000000 0.0000000 0.6781878), wk = 0.0037037 k( 103) = ( 0.0000000 0.0000000 0.7015736), wk = 0.0037037 k( 104) = ( 0.0000000 0.0000000 0.7249594), wk = 0.0037037 k( 105) = ( 0.0000000 0.0000000 0.7483452), wk = 0.0037037 k( 106) = ( 0.0000000 0.0000000 0.7717310), wk = 0.0037037 k( 107) = ( 0.0000000 0.0000000 0.7951168), wk = 0.0037037 k( 108) = ( 0.0000000 0.0000000 0.8185026), wk = 0.0037037 k( 109) = ( 0.0000000 0.0000000 0.8418884), wk = 0.0037037 k( 110) = ( 0.0000000 0.0000000 0.8652741), wk = 0.0037037 k( 111) = ( 0.0000000 0.0000000 0.8886599), wk = 0.0037037 k( 112) = ( 0.0000000 0.0000000 0.9120457), wk = 0.0037037 k( 113) = ( 0.0000000 0.0000000 0.9354315), wk = 0.0037037 k( 114) = ( 0.0000000 0.0000000 0.9588173), wk = 0.0037037 k( 115) = ( 0.0000000 0.0000000 0.9588173), wk = 0.0037037 k( 116) = ( 0.0200000 0.0115470 0.9588173), wk = 0.0037037 k( 117) = ( 0.0400000 0.0230940 0.9588173), wk = 0.0037037 k( 118) = ( 0.0600000 0.0346410 0.9588173), wk = 0.0037037 k( 119) = ( 0.0800000 0.0461880 0.9588173), wk = 0.0037037 k( 120) = ( 0.1000000 0.0577350 0.9588173), wk = 0.0037037 k( 121) = ( 0.1200000 0.0692820 0.9588173), wk = 0.0037037 k( 122) = ( 0.1400000 0.0808290 0.9588173), wk = 0.0037037 k( 123) = ( 0.1600000 0.0923760 0.9588173), wk = 0.0037037 k( 124) = ( 0.1800000 0.1039230 0.9588173), wk = 0.0037037 k( 125) = ( 0.2000000 0.1154701 0.9588173), wk = 0.0037037 k( 126) = ( 0.2200000 0.1270171 0.9588173), wk = 0.0037037 k( 127) = ( 0.2400000 0.1385641 0.9588173), wk = 0.0037037 k( 128) = ( 0.2600000 0.1501111 0.9588173), wk = 0.0037037 k( 129) = ( 0.2800000 0.1616581 0.9588173), wk = 0.0037037 k( 130) = ( 0.3000000 0.1732051 0.9588173), wk = 0.0037037 k( 131) = ( 0.3200000 0.1847521 0.9588173), wk = 0.0037037 k( 132) = ( 0.3400000 0.1962991 0.9588173), wk = 0.0037037 k( 133) = ( 0.3600000 0.2078461 0.9588173), wk = 0.0037037 k( 134) = ( 0.3800000 0.2193931 0.9588173), wk = 0.0037037 k( 135) = ( 0.4000000 0.2309401 0.9588173), wk = 0.0037037 k( 136) = ( 0.4200000 0.2424871 0.9588173), wk = 0.0037037 k( 137) = ( 0.4400000 0.2540341 0.9588173), wk = 0.0037037 k( 138) = ( 0.4600000 0.2655811 0.9588173), wk = 0.0037037 k( 139) = ( 0.4800000 0.2771281 0.9588173), wk = 0.0037037 k( 140) = ( 0.5000000 0.2886751 0.9588173), wk = 0.0037037 k( 141) = ( 0.5000000 0.2886751 0.9588173), wk = 0.0037037 k( 142) = ( 0.4888889 0.3079201 0.9588173), wk = 0.0037037 k( 143) = ( 0.4777778 0.3271651 0.9588173), wk = 0.0037037 k( 144) = ( 0.4666667 0.3464102 0.9588173), wk = 0.0037037 k( 145) = ( 0.4555556 0.3656552 0.9588173), wk = 0.0037037 k( 146) = ( 0.4444444 0.3849002 0.9588173), wk = 0.0037037 k( 147) = ( 0.4333333 0.4041452 0.9588173), wk = 0.0037037 k( 148) = ( 0.4222222 0.4233902 0.9588173), wk = 0.0037037 k( 149) = ( 0.4111111 0.4426352 0.9588173), wk = 0.0037037 k( 150) = ( 0.4000000 0.4618802 0.9588173), wk = 0.0037037 k( 151) = ( 0.3888889 0.4811252 0.9588173), wk = 0.0037037 k( 152) = ( 0.3777778 0.5003702 0.9588173), wk = 0.0037037 k( 153) = ( 0.3666667 0.5196152 0.9588173), wk = 0.0037037 k( 154) = ( 0.3555556 0.5388603 0.9588173), wk = 0.0037037 k( 155) = ( 0.3444444 0.5581053 0.9588173), wk = 0.0037037 k( 156) = ( 0.3333333 0.5773503 0.9588173), wk = 0.0037037 k( 157) = ( 0.3333333 0.5773503 0.9588173), wk = 0.0037037 k( 158) = ( 0.3218391 0.5574416 0.9588173), wk = 0.0037037 k( 159) = ( 0.3103448 0.5375330 0.9588173), wk = 0.0037037 k( 160) = ( 0.2988506 0.5176244 0.9588173), wk = 0.0037037 k( 161) = ( 0.2873563 0.4977157 0.9588173), wk = 0.0037037 k( 162) = ( 0.2758621 0.4778071 0.9588173), wk = 0.0037037 k( 163) = ( 0.2643678 0.4578985 0.9588173), wk = 0.0037037 k( 164) = ( 0.2528736 0.4379899 0.9588173), wk = 0.0037037 k( 165) = ( 0.2413793 0.4180812 0.9588173), wk = 0.0037037 k( 166) = ( 0.2298851 0.3981726 0.9588173), wk = 0.0037037 k( 167) = ( 0.2183908 0.3782640 0.9588173), wk = 0.0037037 k( 168) = ( 0.2068966 0.3583553 0.9588173), wk = 0.0037037 k( 169) = ( 0.1954023 0.3384467 0.9588173), wk = 0.0037037 k( 170) = ( 0.1839080 0.3185381 0.9588173), wk = 0.0037037 k( 171) = ( 0.1724138 0.2986294 0.9588173), wk = 0.0037037 k( 172) = ( 0.1609195 0.2787208 0.9588173), wk = 0.0037037 k( 173) = ( 0.1494253 0.2588122 0.9588173), wk = 0.0037037 k( 174) = ( 0.1379310 0.2389036 0.9588173), wk = 0.0037037 k( 175) = ( 0.1264368 0.2189949 0.9588173), wk = 0.0037037 k( 176) = ( 0.1149425 0.1990863 0.9588173), wk = 0.0037037 k( 177) = ( 0.1034483 0.1791777 0.9588173), wk = 0.0037037 k( 178) = ( 0.0919540 0.1592690 0.9588173), wk = 0.0037037 k( 179) = ( 0.0804598 0.1393604 0.9588173), wk = 0.0037037 k( 180) = ( 0.0689655 0.1194518 0.9588173), wk = 0.0037037 k( 181) = ( 0.0574713 0.0995431 0.9588173), wk = 0.0037037 k( 182) = ( 0.0459770 0.0796345 0.9588173), wk = 0.0037037 k( 183) = ( 0.0344828 0.0597259 0.9588173), wk = 0.0037037 k( 184) = ( 0.0229885 0.0398173 0.9588173), wk = 0.0037037 k( 185) = ( 0.0114942 0.0199086 0.9588173), wk = 0.0037037 k( 186) = ( 0.0000000 0.0000000 0.9588173), wk = 0.0037037 k( 187) = ( 0.5000000 0.2886751 0.9588173), wk = 0.0037037 k( 188) = ( 0.5000000 0.2886751 0.9354315), wk = 0.0037037 k( 189) = ( 0.5000000 0.2886751 0.9120457), wk = 0.0037037 k( 190) = ( 0.5000000 0.2886751 0.8886599), wk = 0.0037037 k( 191) = ( 0.5000000 0.2886751 0.8652741), wk = 0.0037037 k( 192) = ( 0.5000000 0.2886751 0.8418884), wk = 0.0037037 k( 193) = ( 0.5000000 0.2886751 0.8185026), wk = 0.0037037 k( 194) = ( 0.5000000 0.2886751 0.7951168), wk = 0.0037037 k( 195) = ( 0.5000000 0.2886751 0.7717310), wk = 0.0037037 k( 196) = ( 0.5000000 0.2886751 0.7483452), wk = 0.0037037 k( 197) = ( 0.5000000 0.2886751 0.7249594), wk = 0.0037037 k( 198) = ( 0.5000000 0.2886751 0.7015736), wk = 0.0037037 k( 199) = ( 0.5000000 0.2886751 0.6781878), wk = 0.0037037 k( 200) = ( 0.5000000 0.2886751 0.6548020), wk = 0.0037037 k( 201) = ( 0.5000000 0.2886751 0.6314163), wk = 0.0037037 k( 202) = ( 0.5000000 0.2886751 0.6080305), wk = 0.0037037 k( 203) = ( 0.5000000 0.2886751 0.5846447), wk = 0.0037037 k( 204) = ( 0.5000000 0.2886751 0.5612589), wk = 0.0037037 k( 205) = ( 0.5000000 0.2886751 0.5378731), wk = 0.0037037 k( 206) = ( 0.5000000 0.2886751 0.5144873), wk = 0.0037037 k( 207) = ( 0.5000000 0.2886751 0.4911015), wk = 0.0037037 k( 208) = ( 0.5000000 0.2886751 0.4677158), wk = 0.0037037 k( 209) = ( 0.5000000 0.2886751 0.4443300), wk = 0.0037037 k( 210) = ( 0.5000000 0.2886751 0.4209442), wk = 0.0037037 k( 211) = ( 0.5000000 0.2886751 0.3975584), wk = 0.0037037 k( 212) = ( 0.5000000 0.2886751 0.3741726), wk = 0.0037037 k( 213) = ( 0.5000000 0.2886751 0.3507868), wk = 0.0037037 k( 214) = ( 0.5000000 0.2886751 0.3274010), wk = 0.0037037 k( 215) = ( 0.5000000 0.2886751 0.3040152), wk = 0.0037037 k( 216) = ( 0.5000000 0.2886751 0.2806294), wk = 0.0037037 k( 217) = ( 0.5000000 0.2886751 0.2572437), wk = 0.0037037 k( 218) = ( 0.5000000 0.2886751 0.2338579), wk = 0.0037037 k( 219) = ( 0.5000000 0.2886751 0.2104721), wk = 0.0037037 k( 220) = ( 0.5000000 0.2886751 0.1870863), wk = 0.0037037 k( 221) = ( 0.5000000 0.2886751 0.1637005), wk = 0.0037037 k( 222) = ( 0.5000000 0.2886751 0.1403147), wk = 0.0037037 k( 223) = ( 0.5000000 0.2886751 0.1169289), wk = 0.0037037 k( 224) = ( 0.5000000 0.2886751 0.0935432), wk = 0.0037037 k( 225) = ( 0.5000000 0.2886751 0.0701574), wk = 0.0037037 k( 226) = ( 0.5000000 0.2886751 0.0467716), wk = 0.0037037 k( 227) = ( 0.5000000 0.2886751 0.0233858), wk = 0.0037037 k( 228) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037037 k( 229) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037037 k( 230) = ( 0.3333333 0.5773503 0.0233858), wk = 0.0037037 k( 231) = ( 0.3333333 0.5773503 0.0467716), wk = 0.0037037 k( 232) = ( 0.3333333 0.5773503 0.0701574), wk = 0.0037037 k( 233) = ( 0.3333333 0.5773503 0.0935432), wk = 0.0037037 k( 234) = ( 0.3333333 0.5773503 0.1169289), wk = 0.0037037 k( 235) = ( 0.3333333 0.5773503 0.1403147), wk = 0.0037037 k( 236) = ( 0.3333333 0.5773503 0.1637005), wk = 0.0037037 k( 237) = ( 0.3333333 0.5773503 0.1870863), wk = 0.0037037 k( 238) = ( 0.3333333 0.5773503 0.2104721), wk = 0.0037037 k( 239) = ( 0.3333333 0.5773503 0.2338579), wk = 0.0037037 k( 240) = ( 0.3333333 0.5773503 0.2572437), wk = 0.0037037 k( 241) = ( 0.3333333 0.5773503 0.2806294), wk = 0.0037037 k( 242) = ( 0.3333333 0.5773503 0.3040152), wk = 0.0037037 k( 243) = ( 0.3333333 0.5773503 0.3274010), wk = 0.0037037 k( 244) = ( 0.3333333 0.5773503 0.3507868), wk = 0.0037037 k( 245) = ( 0.3333333 0.5773503 0.3741726), wk = 0.0037037 k( 246) = ( 0.3333333 0.5773503 0.3975584), wk = 0.0037037 k( 247) = ( 0.3333333 0.5773503 0.4209442), wk = 0.0037037 k( 248) = ( 0.3333333 0.5773503 0.4443300), wk = 0.0037037 k( 249) = ( 0.3333333 0.5773503 0.4677158), wk = 0.0037037 k( 250) = ( 0.3333333 0.5773503 0.4911015), wk = 0.0037037 k( 251) = ( 0.3333333 0.5773503 0.5144873), wk = 0.0037037 k( 252) = ( 0.3333333 0.5773503 0.5378731), wk = 0.0037037 k( 253) = ( 0.3333333 0.5773503 0.5612589), wk = 0.0037037 k( 254) = ( 0.3333333 0.5773503 0.5846447), wk = 0.0037037 k( 255) = ( 0.3333333 0.5773503 0.6080305), wk = 0.0037037 k( 256) = ( 0.3333333 0.5773503 0.6314163), wk = 0.0037037 k( 257) = ( 0.3333333 0.5773503 0.6548020), wk = 0.0037037 k( 258) = ( 0.3333333 0.5773503 0.6781878), wk = 0.0037037 k( 259) = ( 0.3333333 0.5773503 0.7015736), wk = 0.0037037 k( 260) = ( 0.3333333 0.5773503 0.7249594), wk = 0.0037037 k( 261) = ( 0.3333333 0.5773503 0.7483452), wk = 0.0037037 k( 262) = ( 0.3333333 0.5773503 0.7717310), wk = 0.0037037 k( 263) = ( 0.3333333 0.5773503 0.7951168), wk = 0.0037037 k( 264) = ( 0.3333333 0.5773503 0.8185026), wk = 0.0037037 k( 265) = ( 0.3333333 0.5773503 0.8418884), wk = 0.0037037 k( 266) = ( 0.3333333 0.5773503 0.8652741), wk = 0.0037037 k( 267) = ( 0.3333333 0.5773503 0.8886599), wk = 0.0037037 k( 268) = ( 0.3333333 0.5773503 0.9120457), wk = 0.0037037 k( 269) = ( 0.3333333 0.5773503 0.9354315), wk = 0.0037037 k( 270) = ( 0.3333333 0.5773503 0.9588173), wk = 0.0037037 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 2) = ( 0.0200000 -0.0000000 0.0000000), wk = 0.0037037 k( 3) = ( 0.0400000 -0.0000000 0.0000000), wk = 0.0037037 k( 4) = ( 0.0600000 -0.0000000 0.0000000), wk = 0.0037037 k( 5) = ( 0.0800000 -0.0000000 0.0000000), wk = 0.0037037 k( 6) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0037037 k( 7) = ( 0.1200000 -0.0000000 0.0000000), wk = 0.0037037 k( 8) = ( 0.1400000 -0.0000000 0.0000000), wk = 0.0037037 k( 9) = ( 0.1600000 -0.0000000 0.0000000), wk = 0.0037037 k( 10) = ( 0.1800000 -0.0000000 -0.0000000), wk = 0.0037037 k( 11) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0037037 k( 12) = ( 0.2200000 0.0000000 0.0000000), wk = 0.0037037 k( 13) = ( 0.2400000 -0.0000000 0.0000000), wk = 0.0037037 k( 14) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0037037 k( 15) = ( 0.2800000 -0.0000000 0.0000000), wk = 0.0037037 k( 16) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0037037 k( 17) = ( 0.3200000 -0.0000000 0.0000000), wk = 0.0037037 k( 18) = ( 0.3400000 -0.0000000 -0.0000000), wk = 0.0037037 k( 19) = ( 0.3600000 -0.0000000 -0.0000000), wk = 0.0037037 k( 20) = ( 0.3800000 -0.0000000 0.0000000), wk = 0.0037037 k( 21) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0037037 k( 22) = ( 0.4200000 -0.0000000 -0.0000000), wk = 0.0037037 k( 23) = ( 0.4400000 0.0000000 0.0000000), wk = 0.0037037 k( 24) = ( 0.4600000 -0.0000000 -0.0000000), wk = 0.0037037 k( 25) = ( 0.4800000 -0.0000000 0.0000000), wk = 0.0037037 k( 26) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0037037 k( 27) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0037037 k( 28) = ( 0.4888889 0.0222222 -0.0000000), wk = 0.0037037 k( 29) = ( 0.4777778 0.0444444 0.0000000), wk = 0.0037037 k( 30) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0037037 k( 31) = ( 0.4555556 0.0888889 0.0000000), wk = 0.0037037 k( 32) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0037037 k( 33) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0037037 k( 34) = ( 0.4222222 0.1555556 -0.0000000), wk = 0.0037037 k( 35) = ( 0.4111111 0.1777778 -0.0000000), wk = 0.0037037 k( 36) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0037037 k( 37) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0037037 k( 38) = ( 0.3777778 0.2444444 0.0000000), wk = 0.0037037 k( 39) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0037037 k( 40) = ( 0.3555556 0.2888889 0.0000000), wk = 0.0037037 k( 41) = ( 0.3444444 0.3111111 -0.0000000), wk = 0.0037037 k( 42) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037037 k( 43) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037037 k( 44) = ( 0.3218391 0.3218391 -0.0000000), wk = 0.0037037 k( 45) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0037037 k( 46) = ( 0.2988506 0.2988506 -0.0000000), wk = 0.0037037 k( 47) = ( 0.2873563 0.2873563 -0.0000000), wk = 0.0037037 k( 48) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0037037 k( 49) = ( 0.2643678 0.2643678 -0.0000000), wk = 0.0037037 k( 50) = ( 0.2528736 0.2528736 -0.0000000), wk = 0.0037037 k( 51) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0037037 k( 52) = ( 0.2298851 0.2298851 -0.0000000), wk = 0.0037037 k( 53) = ( 0.2183908 0.2183908 0.0000000), wk = 0.0037037 k( 54) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0037037 k( 55) = ( 0.1954023 0.1954023 -0.0000000), wk = 0.0037037 k( 56) = ( 0.1839080 0.1839080 0.0000000), wk = 0.0037037 k( 57) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0037037 k( 58) = ( 0.1609195 0.1609195 -0.0000000), wk = 0.0037037 k( 59) = ( 0.1494253 0.1494253 0.0000000), wk = 0.0037037 k( 60) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0037037 k( 61) = ( 0.1264368 0.1264368 -0.0000000), wk = 0.0037037 k( 62) = ( 0.1149425 0.1149425 -0.0000000), wk = 0.0037037 k( 63) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0037037 k( 64) = ( 0.0919540 0.0919540 -0.0000000), wk = 0.0037037 k( 65) = ( 0.0804598 0.0804598 -0.0000000), wk = 0.0037037 k( 66) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0037037 k( 67) = ( 0.0574713 0.0574713 -0.0000000), wk = 0.0037037 k( 68) = ( 0.0459770 0.0459770 -0.0000000), wk = 0.0037037 k( 69) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0037037 k( 70) = ( 0.0229885 0.0229885 -0.0000000), wk = 0.0037037 k( 71) = ( 0.0114942 0.0114942 0.0000000), wk = 0.0037037 k( 72) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 73) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 74) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0037037 k( 75) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0037037 k( 76) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0037037 k( 77) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0037037 k( 78) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0037037 k( 79) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0037037 k( 80) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0037037 k( 81) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0037037 k( 82) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0037037 k( 83) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0037037 k( 84) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0037037 k( 85) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0037037 k( 86) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0037037 k( 87) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0037037 k( 88) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0037037 k( 89) = ( 0.0000000 0.0000000 0.1951219), wk = 0.0037037 k( 90) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0037037 k( 91) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0037037 k( 92) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0037037 k( 93) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0037037 k( 94) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0037037 k( 95) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0037037 k( 96) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0037037 k( 97) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0037037 k( 98) = ( 0.0000000 0.0000000 0.3048780), wk = 0.0037037 k( 99) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0037037 k( 100) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0037037 k( 101) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0037037 k( 102) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0037037 k( 103) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0037037 k( 104) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0037037 k( 105) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0037037 k( 106) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0037037 k( 107) = ( 0.0000000 0.0000000 0.4146341), wk = 0.0037037 k( 108) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0037037 k( 109) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0037037 k( 110) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0037037 k( 111) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0037037 k( 112) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0037037 k( 113) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0037037 k( 114) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 115) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 116) = ( 0.0200000 -0.0000000 0.5000000), wk = 0.0037037 k( 117) = ( 0.0400000 -0.0000000 0.5000000), wk = 0.0037037 k( 118) = ( 0.0600000 -0.0000000 0.5000000), wk = 0.0037037 k( 119) = ( 0.0800000 -0.0000000 0.5000000), wk = 0.0037037 k( 120) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0037037 k( 121) = ( 0.1200000 -0.0000000 0.5000000), wk = 0.0037037 k( 122) = ( 0.1400000 -0.0000000 0.5000000), wk = 0.0037037 k( 123) = ( 0.1600000 -0.0000000 0.5000000), wk = 0.0037037 k( 124) = ( 0.1800000 -0.0000000 0.5000000), wk = 0.0037037 k( 125) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0037037 k( 126) = ( 0.2200000 0.0000000 0.5000000), wk = 0.0037037 k( 127) = ( 0.2400000 -0.0000000 0.5000000), wk = 0.0037037 k( 128) = ( 0.2600000 -0.0000000 0.5000000), wk = 0.0037037 k( 129) = ( 0.2800000 -0.0000000 0.5000000), wk = 0.0037037 k( 130) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0037037 k( 131) = ( 0.3200000 -0.0000000 0.5000000), wk = 0.0037037 k( 132) = ( 0.3400000 -0.0000000 0.5000000), wk = 0.0037037 k( 133) = ( 0.3600000 -0.0000000 0.5000000), wk = 0.0037037 k( 134) = ( 0.3800000 -0.0000000 0.5000000), wk = 0.0037037 k( 135) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0037037 k( 136) = ( 0.4200000 -0.0000000 0.5000000), wk = 0.0037037 k( 137) = ( 0.4400000 0.0000000 0.5000000), wk = 0.0037037 k( 138) = ( 0.4600000 -0.0000000 0.5000000), wk = 0.0037037 k( 139) = ( 0.4800000 -0.0000000 0.5000000), wk = 0.0037037 k( 140) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0037037 k( 141) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0037037 k( 142) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0037037 k( 143) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0037037 k( 144) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0037037 k( 145) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0037037 k( 146) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0037037 k( 147) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0037037 k( 148) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0037037 k( 149) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0037037 k( 150) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0037037 k( 151) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0037037 k( 152) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0037037 k( 153) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0037037 k( 154) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0037037 k( 155) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0037037 k( 156) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037037 k( 157) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037037 k( 158) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0037037 k( 159) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0037037 k( 160) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0037037 k( 161) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0037037 k( 162) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0037037 k( 163) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0037037 k( 164) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0037037 k( 165) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0037037 k( 166) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0037037 k( 167) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0037037 k( 168) = ( 0.2068966 0.2068965 0.5000000), wk = 0.0037037 k( 169) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0037037 k( 170) = ( 0.1839080 0.1839080 0.5000000), wk = 0.0037037 k( 171) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0037037 k( 172) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0037037 k( 173) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0037037 k( 174) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0037037 k( 175) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0037037 k( 176) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0037037 k( 177) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0037037 k( 178) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0037037 k( 179) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0037037 k( 180) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0037037 k( 181) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0037037 k( 182) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0037037 k( 183) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0037037 k( 184) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0037037 k( 185) = ( 0.0114942 0.0114942 0.5000000), wk = 0.0037037 k( 186) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 187) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0037037 k( 188) = ( 0.5000000 -0.0000000 0.4878049), wk = 0.0037037 k( 189) = ( 0.5000000 -0.0000000 0.4756098), wk = 0.0037037 k( 190) = ( 0.5000000 -0.0000000 0.4634146), wk = 0.0037037 k( 191) = ( 0.5000000 -0.0000000 0.4512195), wk = 0.0037037 k( 192) = ( 0.5000000 -0.0000000 0.4390244), wk = 0.0037037 k( 193) = ( 0.5000000 -0.0000000 0.4268293), wk = 0.0037037 k( 194) = ( 0.5000000 -0.0000000 0.4146341), wk = 0.0037037 k( 195) = ( 0.5000000 -0.0000000 0.4024390), wk = 0.0037037 k( 196) = ( 0.5000000 -0.0000000 0.3902439), wk = 0.0037037 k( 197) = ( 0.5000000 -0.0000000 0.3780488), wk = 0.0037037 k( 198) = ( 0.5000000 -0.0000000 0.3658537), wk = 0.0037037 k( 199) = ( 0.5000000 -0.0000000 0.3536585), wk = 0.0037037 k( 200) = ( 0.5000000 -0.0000000 0.3414634), wk = 0.0037037 k( 201) = ( 0.5000000 -0.0000000 0.3292683), wk = 0.0037037 k( 202) = ( 0.5000000 -0.0000000 0.3170732), wk = 0.0037037 k( 203) = ( 0.5000000 -0.0000000 0.3048780), wk = 0.0037037 k( 204) = ( 0.5000000 -0.0000000 0.2926829), wk = 0.0037037 k( 205) = ( 0.5000000 -0.0000000 0.2804878), wk = 0.0037037 k( 206) = ( 0.5000000 -0.0000000 0.2682927), wk = 0.0037037 k( 207) = ( 0.5000000 -0.0000000 0.2560976), wk = 0.0037037 k( 208) = ( 0.5000000 -0.0000000 0.2439024), wk = 0.0037037 k( 209) = ( 0.5000000 -0.0000000 0.2317073), wk = 0.0037037 k( 210) = ( 0.5000000 -0.0000000 0.2195122), wk = 0.0037037 k( 211) = ( 0.5000000 -0.0000000 0.2073171), wk = 0.0037037 k( 212) = ( 0.5000000 -0.0000000 0.1951219), wk = 0.0037037 k( 213) = ( 0.5000000 -0.0000000 0.1829268), wk = 0.0037037 k( 214) = ( 0.5000000 -0.0000000 0.1707317), wk = 0.0037037 k( 215) = ( 0.5000000 -0.0000000 0.1585366), wk = 0.0037037 k( 216) = ( 0.5000000 -0.0000000 0.1463415), wk = 0.0037037 k( 217) = ( 0.5000000 -0.0000000 0.1341463), wk = 0.0037037 k( 218) = ( 0.5000000 -0.0000000 0.1219512), wk = 0.0037037 k( 219) = ( 0.5000000 -0.0000000 0.1097561), wk = 0.0037037 k( 220) = ( 0.5000000 -0.0000000 0.0975610), wk = 0.0037037 k( 221) = ( 0.5000000 -0.0000000 0.0853658), wk = 0.0037037 k( 222) = ( 0.5000000 -0.0000000 0.0731707), wk = 0.0037037 k( 223) = ( 0.5000000 -0.0000000 0.0609756), wk = 0.0037037 k( 224) = ( 0.5000000 -0.0000000 0.0487805), wk = 0.0037037 k( 225) = ( 0.5000000 -0.0000000 0.0365854), wk = 0.0037037 k( 226) = ( 0.5000000 -0.0000000 0.0243902), wk = 0.0037037 k( 227) = ( 0.5000000 -0.0000000 0.0121951), wk = 0.0037037 k( 228) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0037037 k( 229) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037037 k( 230) = ( 0.3333333 0.3333333 0.0121951), wk = 0.0037037 k( 231) = ( 0.3333333 0.3333333 0.0243902), wk = 0.0037037 k( 232) = ( 0.3333333 0.3333333 0.0365854), wk = 0.0037037 k( 233) = ( 0.3333333 0.3333333 0.0487805), wk = 0.0037037 k( 234) = ( 0.3333333 0.3333333 0.0609756), wk = 0.0037037 k( 235) = ( 0.3333333 0.3333333 0.0731707), wk = 0.0037037 k( 236) = ( 0.3333333 0.3333333 0.0853658), wk = 0.0037037 k( 237) = ( 0.3333333 0.3333333 0.0975610), wk = 0.0037037 k( 238) = ( 0.3333333 0.3333333 0.1097561), wk = 0.0037037 k( 239) = ( 0.3333333 0.3333333 0.1219512), wk = 0.0037037 k( 240) = ( 0.3333333 0.3333333 0.1341463), wk = 0.0037037 k( 241) = ( 0.3333333 0.3333333 0.1463415), wk = 0.0037037 k( 242) = ( 0.3333333 0.3333333 0.1585366), wk = 0.0037037 k( 243) = ( 0.3333333 0.3333333 0.1707317), wk = 0.0037037 k( 244) = ( 0.3333333 0.3333333 0.1829268), wk = 0.0037037 k( 245) = ( 0.3333333 0.3333333 0.1951219), wk = 0.0037037 k( 246) = ( 0.3333333 0.3333333 0.2073171), wk = 0.0037037 k( 247) = ( 0.3333333 0.3333333 0.2195122), wk = 0.0037037 k( 248) = ( 0.3333333 0.3333333 0.2317073), wk = 0.0037037 k( 249) = ( 0.3333333 0.3333333 0.2439024), wk = 0.0037037 k( 250) = ( 0.3333333 0.3333333 0.2560976), wk = 0.0037037 k( 251) = ( 0.3333333 0.3333333 0.2682927), wk = 0.0037037 k( 252) = ( 0.3333333 0.3333333 0.2804878), wk = 0.0037037 k( 253) = ( 0.3333333 0.3333333 0.2926829), wk = 0.0037037 k( 254) = ( 0.3333333 0.3333333 0.3048780), wk = 0.0037037 k( 255) = ( 0.3333333 0.3333333 0.3170732), wk = 0.0037037 k( 256) = ( 0.3333333 0.3333333 0.3292683), wk = 0.0037037 k( 257) = ( 0.3333333 0.3333333 0.3414634), wk = 0.0037037 k( 258) = ( 0.3333333 0.3333333 0.3536585), wk = 0.0037037 k( 259) = ( 0.3333333 0.3333333 0.3658537), wk = 0.0037037 k( 260) = ( 0.3333333 0.3333333 0.3780488), wk = 0.0037037 k( 261) = ( 0.3333333 0.3333333 0.3902439), wk = 0.0037037 k( 262) = ( 0.3333333 0.3333333 0.4024390), wk = 0.0037037 k( 263) = ( 0.3333333 0.3333333 0.4146341), wk = 0.0037037 k( 264) = ( 0.3333333 0.3333333 0.4268293), wk = 0.0037037 k( 265) = ( 0.3333333 0.3333333 0.4390244), wk = 0.0037037 k( 266) = ( 0.3333333 0.3333333 0.4512195), wk = 0.0037037 k( 267) = ( 0.3333333 0.3333333 0.4634146), wk = 0.0037037 k( 268) = ( 0.3333333 0.3333333 0.4756098), wk = 0.0037037 k( 269) = ( 0.3333333 0.3333333 0.4878049), wk = 0.0037037 k( 270) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037037 Dense grid: 175277 G-vectors FFT dimensions: ( 96, 96, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 1.18 Mb ( 1248, 62) NL pseudopotentials 1.87 Mb ( 624, 196) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.04 Mb ( 4869) G-vector shells 0.02 Mb ( 2102) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 4.72 Mb ( 1248, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.37 Mb ( 196, 2, 62) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Li10BrN3.save/charge-density.dat Starting wfc are 132 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.7 secs Computing kpt #: 4 total cpu time spent up to now is 8.4 secs Computing kpt #: 5 total cpu time spent up to now is 10.1 secs Computing kpt #: 6 total cpu time spent up to now is 11.8 secs Computing kpt #: 7 total cpu time spent up to now is 13.6 secs Computing kpt #: 8 total cpu time spent up to now is 15.4 secs Computing kpt #: 9 total cpu time spent up to now is 17.2 secs Computing kpt #: 10 total cpu time spent up to now is 18.9 secs Computing kpt #: 11 total cpu time spent up to now is 20.7 secs Computing kpt #: 12 total cpu time spent up to now is 22.5 secs Computing kpt #: 13 total cpu time spent up to now is 24.2 secs Computing kpt #: 14 total cpu time spent up to now is 26.1 secs Computing kpt #: 15 total cpu time spent up to now is 27.9 secs Computing kpt #: 16 total cpu time spent up to now is 29.6 secs Computing kpt #: 17 total cpu time spent up to now is 31.4 secs Computing kpt #: 18 total cpu time spent up to now is 33.2 secs Computing kpt #: 19 total cpu time spent up to now is 35.1 secs Computing kpt #: 20 total cpu time spent up to now is 36.9 secs Computing kpt #: 21 total cpu time spent up to now is 38.7 secs Computing kpt #: 22 total cpu time spent up to now is 40.5 secs Computing kpt #: 23 total cpu time spent up to now is 42.3 secs Computing kpt #: 24 total cpu time spent up to now is 44.1 secs Computing kpt #: 25 total cpu time spent up to now is 45.9 secs Computing kpt #: 26 total cpu time spent up to now is 47.7 secs Computing kpt #: 27 total cpu time spent up to now is 49.5 secs Computing kpt #: 28 total cpu time spent up to now is 51.3 secs Computing kpt #: 29 total cpu time spent up to now is 53.1 secs Computing kpt #: 30 total cpu time spent up to now is 54.9 secs Computing kpt #: 31 total cpu time spent up to now is 56.7 secs Computing kpt #: 32 total cpu time spent up to now is 58.6 secs Computing kpt #: 33 total cpu time spent up to now is 60.4 secs Computing kpt #: 34 total cpu time spent up to now is 62.3 secs Computing kpt #: 35 total cpu time spent up to now is 64.1 secs Computing kpt #: 36 total cpu time spent up to now is 66.0 secs Computing kpt #: 37 total cpu time spent up to now is 67.9 secs Computing kpt #: 38 total cpu time spent up to now is 69.7 secs Computing kpt #: 39 total cpu time spent up to now is 71.6 secs Computing kpt #: 40 total cpu time spent up to now is 73.5 secs Computing kpt #: 41 total cpu time spent up to now is 75.3 secs Computing kpt #: 42 total cpu time spent up to now is 77.4 secs Computing kpt #: 43 total cpu time spent up to now is 79.5 secs Computing kpt #: 44 total cpu time spent up to now is 81.6 secs Computing kpt #: 45 total cpu time spent up to now is 83.5 secs Computing kpt #: 46 total cpu time spent up to now is 85.4 secs Computing kpt #: 47 total cpu time spent up to now is 87.2 secs Computing kpt #: 48 total cpu time spent up to now is 89.1 secs Computing kpt #: 49 total cpu time spent up to now is 91.0 secs Computing kpt #: 50 total cpu time spent up to now is 93.1 secs Computing kpt #: 51 total cpu time spent up to now is 95.0 secs Computing kpt #: 52 total cpu time spent up to now is 96.8 secs Computing kpt #: 53 total cpu time spent up to now is 98.5 secs Computing kpt #: 54 total cpu time spent up to now is 100.3 secs Computing kpt #: 55 total cpu time spent up to now is 102.1 secs Computing kpt #: 56 total cpu time spent up to now is 103.9 secs Computing kpt #: 57 total cpu time spent up to now is 105.7 secs Computing kpt #: 58 total cpu time spent up to now is 107.5 secs Computing kpt #: 59 total cpu time spent up to now is 109.3 secs Computing kpt #: 60 total cpu time spent up to now is 111.1 secs Computing kpt #: 61 total cpu time spent up to now is 112.8 secs Computing kpt #: 62 total cpu time spent up to now is 114.7 secs Computing kpt #: 63 total cpu time spent up to now is 116.5 secs Computing kpt #: 64 total cpu time spent up to now is 118.2 secs Computing kpt #: 65 total cpu time spent up to now is 120.0 secs Computing kpt #: 66 total cpu time spent up to now is 121.8 secs Computing kpt #: 67 total cpu time spent up to now is 123.5 secs Computing kpt #: 68 total cpu time spent up to now is 125.2 secs Computing kpt #: 69 total cpu time spent up to now is 127.0 secs Computing kpt #: 70 total cpu time spent up to now is 128.6 secs Computing kpt #: 71 total cpu time spent up to now is 130.4 secs Computing kpt #: 72 total cpu time spent up to now is 132.0 secs Computing kpt #: 73 total cpu time spent up to now is 133.7 secs Computing kpt #: 74 total cpu time spent up to now is 135.4 secs Computing kpt #: 75 total cpu time spent up to now is 137.0 secs Computing kpt #: 76 total cpu time spent up to now is 138.7 secs Computing kpt #: 77 total cpu time spent up to now is 140.4 secs Computing kpt #: 78 total cpu time spent up to now is 142.0 secs Computing kpt #: 79 total cpu time spent up to now is 143.7 secs Computing kpt #: 80 total cpu time spent up to now is 145.4 secs Computing kpt #: 81 total cpu time spent up to now is 147.1 secs Computing kpt #: 82 total cpu time spent up to now is 148.8 secs Computing kpt #: 83 total cpu time spent up to now is 150.5 secs Computing kpt #: 84 total cpu time spent up to now is 152.2 secs Computing kpt #: 85 total cpu time spent up to now is 154.0 secs Computing kpt #: 86 total cpu time spent up to now is 155.7 secs Computing kpt #: 87 total cpu time spent up to now is 157.5 secs Computing kpt #: 88 total cpu time spent up to now is 159.3 secs Computing kpt #: 89 total cpu time spent up to now is 161.1 secs Computing kpt #: 90 total cpu time spent up to now is 163.0 secs Computing kpt #: 91 total cpu time spent up to now is 164.8 secs Computing kpt #: 92 total cpu time spent up to now is 166.9 secs Computing kpt #: 93 total cpu time spent up to now is 169.0 secs Computing kpt #: 94 total cpu time spent up to now is 171.1 secs Computing kpt #: 95 total cpu time spent up to now is 173.3 secs Computing kpt #: 96 total cpu time spent up to now is 175.4 secs Computing kpt #: 97 total cpu time spent up to now is 177.3 secs Computing kpt #: 98 total cpu time spent up to now is 179.2 secs Computing kpt #: 99 total cpu time spent up to now is 181.2 secs Computing kpt #: 100 total cpu time spent up to now is 183.0 secs Computing kpt #: 101 total cpu time spent up to now is 185.2 secs Computing kpt #: 102 total cpu time spent up to now is 187.4 secs Computing kpt #: 103 total cpu time spent up to now is 189.7 secs Computing kpt #: 104 total cpu time spent up to now is 191.9 secs Computing kpt #: 105 total cpu time spent up to now is 194.1 secs Computing kpt #: 106 total cpu time spent up to now is 196.2 secs Computing kpt #: 107 total cpu time spent up to now is 198.4 secs Computing kpt #: 108 total cpu time spent up to now is 200.6 secs Computing kpt #: 109 total cpu time spent up to now is 202.7 secs Computing kpt #: 110 total cpu time spent up to now is 204.8 secs Computing kpt #: 111 total cpu time spent up to now is 207.0 secs Computing kpt #: 112 total cpu time spent up to now is 209.2 secs Computing kpt #: 113 total cpu time spent up to now is 211.3 secs Computing kpt #: 114 total cpu time spent up to now is 214.0 secs Computing kpt #: 115 total cpu time spent up to now is 216.3 secs Computing kpt #: 116 total cpu time spent up to now is 218.4 secs Computing kpt #: 117 total cpu time spent up to now is 220.6 secs Computing kpt #: 118 total cpu time spent up to now is 222.7 secs Computing kpt #: 119 total cpu time spent up to now is 224.5 secs Computing kpt #: 120 total cpu time spent up to now is 226.4 secs Computing kpt #: 121 total cpu time spent up to now is 228.2 secs Computing kpt #: 122 total cpu time spent up to now is 230.0 secs Computing kpt #: 123 total cpu time spent up to now is 231.8 secs Computing kpt #: 124 total cpu time spent up to now is 233.6 secs Computing kpt #: 125 total cpu time spent up to now is 235.4 secs Computing kpt #: 126 total cpu time spent up to now is 237.2 secs Computing kpt #: 127 total cpu time spent up to now is 239.0 secs Computing kpt #: 128 total cpu time spent up to now is 240.8 secs Computing kpt #: 129 total cpu time spent up to now is 242.6 secs Computing kpt #: 130 total cpu time spent up to now is 244.4 secs Computing kpt #: 131 total cpu time spent up to now is 246.1 secs Computing kpt #: 132 total cpu time spent up to now is 248.0 secs Computing kpt #: 133 total cpu time spent up to now is 249.8 secs Computing kpt #: 134 total cpu time spent up to now is 251.6 secs Computing kpt #: 135 total cpu time spent up to now is 253.4 secs Computing kpt #: 136 total cpu time spent up to now is 255.2 secs Computing kpt #: 137 total cpu time spent up to now is 257.1 secs Computing kpt #: 138 total cpu time spent up to now is 259.0 secs Computing kpt #: 139 total cpu time spent up to now is 260.8 secs Computing kpt #: 140 total cpu time spent up to now is 262.6 secs Computing kpt #: 141 total cpu time spent up to now is 264.4 secs Computing kpt #: 142 total cpu time spent up to now is 266.2 secs Computing kpt #: 143 total cpu time spent up to now is 268.1 secs Computing kpt #: 144 total cpu time spent up to now is 270.0 secs Computing kpt #: 145 total cpu time spent up to now is 271.9 secs Computing kpt #: 146 total cpu time spent up to now is 274.1 secs Computing kpt #: 147 total cpu time spent up to now is 276.3 secs Computing kpt #: 148 total cpu time spent up to now is 278.5 secs Computing kpt #: 149 total cpu time spent up to now is 280.4 secs Computing kpt #: 150 total cpu time spent up to now is 282.3 secs Computing kpt #: 151 total cpu time spent up to now is 284.3 secs Computing kpt #: 152 total cpu time spent up to now is 286.2 secs Computing kpt #: 153 total cpu time spent up to now is 288.1 secs Computing kpt #: 154 total cpu time spent up to now is 289.9 secs Computing kpt #: 155 total cpu time spent up to now is 291.6 secs Computing kpt #: 156 total cpu time spent up to now is 293.4 secs Computing kpt #: 157 total cpu time spent up to now is 295.2 secs Computing kpt #: 158 total cpu time spent up to now is 296.9 secs Computing kpt #: 159 total cpu time spent up to now is 298.7 secs Computing kpt #: 160 total cpu time spent up to now is 300.9 secs Computing kpt #: 161 total cpu time spent up to now is 303.1 secs Computing kpt #: 162 total cpu time spent up to now is 305.3 secs Computing kpt #: 163 total cpu time spent up to now is 307.5 secs Computing kpt #: 164 total cpu time spent up to now is 309.7 secs Computing kpt #: 165 total cpu time spent up to now is 311.6 secs Computing kpt #: 166 total cpu time spent up to now is 313.4 secs Computing kpt #: 167 total cpu time spent up to now is 315.3 secs Computing kpt #: 168 total cpu time spent up to now is 317.1 secs Computing kpt #: 169 total cpu time spent up to now is 319.0 secs Computing kpt #: 170 total cpu time spent up to now is 320.8 secs Computing kpt #: 171 total cpu time spent up to now is 322.7 secs Computing kpt #: 172 total cpu time spent up to now is 324.5 secs Computing kpt #: 173 total cpu time spent up to now is 326.4 secs Computing kpt #: 174 total cpu time spent up to now is 328.3 secs Computing kpt #: 175 total cpu time spent up to now is 330.1 secs Computing kpt #: 176 total cpu time spent up to now is 332.0 secs Computing kpt #: 177 total cpu time spent up to now is 333.8 secs Computing kpt #: 178 total cpu time spent up to now is 335.7 secs Computing kpt #: 179 total cpu time spent up to now is 337.5 secs Computing kpt #: 180 total cpu time spent up to now is 339.4 secs Computing kpt #: 181 total cpu time spent up to now is 341.3 secs Computing kpt #: 182 total cpu time spent up to now is 343.1 secs Computing kpt #: 183 total cpu time spent up to now is 345.3 secs Computing kpt #: 184 total cpu time spent up to now is 347.4 secs Computing kpt #: 185 total cpu time spent up to now is 349.5 secs Computing kpt #: 186 total cpu time spent up to now is 351.7 secs Computing kpt #: 187 total cpu time spent up to now is 353.6 secs Computing kpt #: 188 total cpu time spent up to now is 355.4 secs Computing kpt #: 189 total cpu time spent up to now is 357.2 secs Computing kpt #: 190 total cpu time spent up to now is 359.1 secs Computing kpt #: 191 total cpu time spent up to now is 361.2 secs Computing kpt #: 192 total cpu time spent up to now is 363.4 secs Computing kpt #: 193 total cpu time spent up to now is 365.5 secs Computing kpt #: 194 total cpu time spent up to now is 367.7 secs Computing kpt #: 195 total cpu time spent up to now is 369.9 secs Computing kpt #: 196 total cpu time spent up to now is 372.0 secs Computing kpt #: 197 total cpu time spent up to now is 374.1 secs Computing kpt #: 198 total cpu time spent up to now is 376.3 secs Computing kpt #: 199 total cpu time spent up to now is 378.5 secs Computing kpt #: 200 total cpu time spent up to now is 380.7 secs Computing kpt #: 201 total cpu time spent up to now is 382.9 secs Computing kpt #: 202 total cpu time spent up to now is 385.0 secs Computing kpt #: 203 total cpu time spent up to now is 387.2 secs Computing kpt #: 204 total cpu time spent up to now is 389.3 secs Computing kpt #: 205 total cpu time spent up to now is 391.5 secs Computing kpt #: 206 total cpu time spent up to now is 394.1 secs Computing kpt #: 207 total cpu time spent up to now is 396.2 secs Computing kpt #: 208 total cpu time spent up to now is 398.4 secs Computing kpt #: 209 total cpu time spent up to now is 400.6 secs Computing kpt #: 210 total cpu time spent up to now is 402.7 secs Computing kpt #: 211 total cpu time spent up to now is 404.9 secs Computing kpt #: 212 total cpu time spent up to now is 407.1 secs Computing kpt #: 213 total cpu time spent up to now is 409.3 secs Computing kpt #: 214 total cpu time spent up to now is 411.5 secs Computing kpt #: 215 total cpu time spent up to now is 413.3 secs Computing kpt #: 216 total cpu time spent up to now is 415.3 secs Computing kpt #: 217 total cpu time spent up to now is 417.2 secs Computing kpt #: 218 total cpu time spent up to now is 419.1 secs Computing kpt #: 219 total cpu time spent up to now is 421.0 secs Computing kpt #: 220 total cpu time spent up to now is 422.9 secs Computing kpt #: 221 total cpu time spent up to now is 424.8 secs Computing kpt #: 222 total cpu time spent up to now is 426.7 secs Computing kpt #: 223 total cpu time spent up to now is 428.5 secs Computing kpt #: 224 total cpu time spent up to now is 430.4 secs Computing kpt #: 225 total cpu time spent up to now is 432.3 secs Computing kpt #: 226 total cpu time spent up to now is 434.1 secs Computing kpt #: 227 total cpu time spent up to now is 435.9 secs Computing kpt #: 228 total cpu time spent up to now is 437.8 secs Computing kpt #: 229 total cpu time spent up to now is 439.9 secs Computing kpt #: 230 total cpu time spent up to now is 442.0 secs Computing kpt #: 231 total cpu time spent up to now is 444.1 secs Computing kpt #: 232 total cpu time spent up to now is 446.2 secs Computing kpt #: 233 total cpu time spent up to now is 448.4 secs Computing kpt #: 234 total cpu time spent up to now is 450.6 secs Computing kpt #: 235 total cpu time spent up to now is 452.7 secs Computing kpt #: 236 total cpu time spent up to now is 454.8 secs Computing kpt #: 237 total cpu time spent up to now is 457.0 secs Computing kpt #: 238 total cpu time spent up to now is 459.2 secs Computing kpt #: 239 total cpu time spent up to now is 461.4 secs Computing kpt #: 240 total cpu time spent up to now is 463.5 secs Computing kpt #: 241 total cpu time spent up to now is 465.4 secs Computing kpt #: 242 total cpu time spent up to now is 467.6 secs Computing kpt #: 243 total cpu time spent up to now is 469.4 secs Computing kpt #: 244 total cpu time spent up to now is 471.3 secs Computing kpt #: 245 total cpu time spent up to now is 473.1 secs Computing kpt #: 246 total cpu time spent up to now is 475.0 secs Computing kpt #: 247 total cpu time spent up to now is 476.9 secs Computing kpt #: 248 total cpu time spent up to now is 478.7 secs Computing kpt #: 249 total cpu time spent up to now is 480.6 secs Computing kpt #: 250 total cpu time spent up to now is 482.5 secs Computing kpt #: 251 total cpu time spent up to now is 484.4 secs Computing kpt #: 252 total cpu time spent up to now is 486.3 secs Computing kpt #: 253 total cpu time spent up to now is 488.1 secs Computing kpt #: 254 total cpu time spent up to now is 490.0 secs Computing kpt #: 255 total cpu time spent up to now is 491.9 secs Computing kpt #: 256 total cpu time spent up to now is 493.8 secs Computing kpt #: 257 total cpu time spent up to now is 495.7 secs Computing kpt #: 258 total cpu time spent up to now is 497.6 secs Computing kpt #: 259 total cpu time spent up to now is 499.5 secs Computing kpt #: 260 total cpu time spent up to now is 501.5 secs Computing kpt #: 261 total cpu time spent up to now is 503.4 secs Computing kpt #: 262 total cpu time spent up to now is 505.3 secs Computing kpt #: 263 total cpu time spent up to now is 507.2 secs Computing kpt #: 264 total cpu time spent up to now is 509.1 secs Computing kpt #: 265 total cpu time spent up to now is 511.0 secs Computing kpt #: 266 total cpu time spent up to now is 512.9 secs Computing kpt #: 267 total cpu time spent up to now is 514.8 secs Computing kpt #: 268 total cpu time spent up to now is 516.7 secs Computing kpt #: 269 total cpu time spent up to now is 518.6 secs Computing kpt #: 270 total cpu time spent up to now is 520.4 secs ethr = 1.92E-08, avg # of iterations = 19.1 total cpu time spent up to now is 520.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 21935 PWs) bands (ev): -42.4984 -42.4984 -42.4903 -42.4903 -42.4903 -42.4903 -41.8270 -41.8270 -41.7832 -41.7832 -41.7832 -41.7832 -41.4610 -41.4610 -41.4607 -41.4607 -41.4607 -41.4607 -41.3335 -41.3335 -13.1766 -13.1766 -8.7958 -8.7958 -8.7926 -8.7926 -8.7926 -8.7926 -1.9648 -1.9648 -1.7022 -1.7022 -0.5838 -0.5838 0.3080 0.3080 1.3133 1.3133 1.3493 1.3493 1.3546 1.3546 1.4128 1.4128 1.8380 1.8380 1.8380 1.8380 1.8478 1.8478 1.8686 1.8686 3.7071 3.7071 5.0024 5.0024 6.3497 6.3497 6.3555 6.3555 7.1757 7.1757 k = 0.0200 0.0115-0.0000 ( 21935 PWs) bands (ev): -42.4984 -42.4984 -42.4903 -42.4903 -42.4903 -42.4903 -41.8270 -41.8270 -41.7832 -41.7832 -41.7832 -41.7832 -41.4610 -41.4610 -41.4607 -41.4607 -41.4607 -41.4607 -41.3335 -41.3335 -13.1766 -13.1766 -8.7975 -8.7975 -8.7926 -8.7926 -8.7908 -8.7908 -1.9644 -1.9644 -1.7017 -1.7017 -0.5837 -0.5837 0.3088 0.3088 1.3122 1.3122 1.3489 1.3489 1.3525 1.3525 1.4133 1.4133 1.8374 1.8374 1.8379 1.8379 1.8465 1.8465 1.8673 1.8673 3.7116 3.7116 5.0037 5.0037 6.3492 6.3492 6.3568 6.3568 7.1782 7.1782 k = 0.0400 0.0231-0.0000 ( 21939 PWs) bands (ev): -42.4984 -42.4984 -42.4903 -42.4903 -42.4903 -42.4903 -41.8270 -41.8270 -41.7832 -41.7832 -41.7831 -41.7831 -41.4610 -41.4610 -41.4607 -41.4607 -41.4607 -41.4607 -41.3335 -41.3335 -13.1766 -13.1766 -8.8003 -8.8003 -8.7926 -8.7926 -8.7881 -8.7881 -1.9632 -1.9632 -1.7003 -1.7003 -0.5834 -0.5834 0.3113 0.3113 1.3086 1.3086 1.3465 1.3465 1.3482 1.3482 1.4145 1.4145 1.8357 1.8357 1.8378 1.8378 1.8414 1.8414 1.8649 1.8649 3.7247 3.7247 5.0074 5.0074 6.3443 6.3443 6.3642 6.3642 7.1855 7.1855 k = 0.0600 0.0346-0.0000 ( 21941 PWs) bands (ev): -42.4984 -42.4984 -42.4903 -42.4903 -42.4903 -42.4903 -41.8270 -41.8270 -41.7832 -41.7832 -41.7831 -41.7831 -41.4611 -41.4611 -41.4607 -41.4607 -41.4606 -41.4606 -41.3335 -41.3335 -13.1766 -13.1766 -8.8032 -8.8032 -8.7926 -8.7926 -8.7854 -8.7854 -1.9613 -1.9613 -1.6979 -1.6979 -0.5829 -0.5829 0.3153 0.3153 1.3021 1.3021 1.3372 1.3372 1.3474 1.3474 1.4160 1.4160 1.8304 1.8304 1.8331 1.8331 1.8377 1.8377 1.8635 1.8635 3.7463 3.7463 5.0135 5.0135 6.3351 6.3351 6.3778 6.3778 7.1971 7.1971 k = 0.0800 0.0462-0.0000 ( 21929 PWs) bands (ev): -42.4983 -42.4983 -42.4903 -42.4903 -42.4903 -42.4903 -41.8270 -41.8270 -41.7832 -41.7832 -41.7831 -41.7831 -41.4611 -41.4611 -41.4607 -41.4607 -41.4606 -41.4606 -41.3335 -41.3335 -13.1765 -13.1765 -8.8061 -8.8061 -8.7926 -8.7926 -8.7826 -8.7826 -1.9586 -1.9586 -1.6947 -1.6947 -0.5823 -0.5823 0.3209 0.3209 1.2918 1.2918 1.3255 1.3255 1.3474 1.3474 1.4174 1.4174 1.8137 1.8137 1.8292 1.8292 1.8375 1.8375 1.8636 1.8636 3.7757 3.7757 5.0218 5.0218 6.3227 6.3227 6.3970 6.3970 7.2123 7.2123 k = 0.1000 0.0577-0.0000 ( 21923 PWs) bands (ev): -42.4983 -42.4983 -42.4903 -42.4903 -42.4903 -42.4903 -41.8271 -41.8271 -41.7832 -41.7832 -41.7831 -41.7831 -41.4612 -41.4612 -41.4607 -41.4607 -41.4605 -41.4605 -41.3335 -41.3335 -13.1765 -13.1765 -8.8089 -8.8089 -8.7926 -8.7926 -8.7799 -8.7799 -1.9553 -1.9553 -1.6906 -1.6906 -0.5814 -0.5814 0.3280 0.3280 1.2773 1.2773 1.3123 1.3123 1.3482 1.3482 1.4184 1.4184 1.7921 1.7921 1.8243 1.8243 1.8372 1.8372 1.8648 1.8648 3.8123 3.8123 5.0322 5.0322 6.3079 6.3079 6.4214 6.4214 7.2302 7.2302 k = 0.1200 0.0693-0.0000 ( 21929 PWs) bands (ev): -42.4983 -42.4983 -42.4904 -42.4904 -42.4903 -42.4903 -41.8271 -41.8271 -41.7832 -41.7832 -41.7831 -41.7831 -41.4613 -41.4613 -41.4607 -41.4607 -41.4604 -41.4604 -41.3335 -41.3335 -13.1765 -13.1765 -8.8118 -8.8118 -8.7927 -8.7927 -8.7773 -8.7773 -1.9513 -1.9513 -1.6856 -1.6856 -0.5804 -0.5804 0.3367 0.3367 1.2584 1.2584 1.2984 1.2984 1.3499 1.3499 1.4188 1.4188 1.7665 1.7665 1.8185 1.8185 1.8368 1.8368 1.8667 1.8667 3.8553 3.8553 5.0445 5.0445 6.2912 6.2912 6.4508 6.4508 7.2498 7.2498 k = 0.1400 0.0808-0.0000 ( 21955 PWs) bands (ev): -42.4983 -42.4983 -42.4904 -42.4904 -42.4903 -42.4903 -41.8271 -41.8271 -41.7832 -41.7832 -41.7831 -41.7831 -41.4613 -41.4613 -41.4607 -41.4607 -41.4604 -41.4604 -41.3335 -41.3335 -13.1765 -13.1765 -8.8146 -8.8146 -8.7927 -8.7927 -8.7747 -8.7747 -1.9467 -1.9467 -1.6799 -1.6799 -0.5792 -0.5792 0.3468 0.3468 1.2355 1.2355 1.2841 1.2841 1.3523 1.3523 1.4187 1.4187 1.7378 1.7378 1.8117 1.8117 1.8365 1.8365 1.8691 1.8691 3.9039 3.9039 5.0583 5.0583 6.2734 6.2734 6.4851 6.4851 7.2698 7.2698 k = 0.1600 0.0924-0.0000 ( 21963 PWs) bands (ev): -42.4982 -42.4982 -42.4904 -42.4904 -42.4903 -42.4903 -41.8271 -41.8271 -41.7832 -41.7832 -41.7830 -41.7830 -41.4614 -41.4614 -41.4607 -41.4607 -41.4603 -41.4603 -41.3335 -41.3335 -13.1765 -13.1765 -8.8174 -8.8174 -8.7927 -8.7927 -8.7722 -8.7722 -1.9417 -1.9417 -1.6734 -1.6734 -0.5779 -0.5779 0.3584 0.3584 1.2094 1.2094 1.2695 1.2695 1.3553 1.3553 1.4179 1.4179 1.7064 1.7064 1.8041 1.8041 1.8360 1.8360 1.8720 1.8720 3.9572 3.9572 5.0734 5.0734 6.2550 6.2550 6.5238 6.5238 7.2892 7.2892 k = 0.1800 0.1039-0.0000 ( 21951 PWs) bands (ev): -42.4982 -42.4982 -42.4905 -42.4905 -42.4903 -42.4903 -41.8272 -41.8272 -41.7831 -41.7831 -41.7830 -41.7830 -41.4615 -41.4615 -41.4607 -41.4607 -41.4603 -41.4603 -41.3335 -41.3335 -13.1764 -13.1764 -8.8200 -8.8200 -8.7928 -8.7928 -8.7698 -8.7698 -1.9363 -1.9363 -1.6662 -1.6662 -0.5765 -0.5765 0.3712 0.3712 1.1808 1.1808 1.2546 1.2546 1.3589 1.3589 1.4165 1.4165 1.6731 1.6731 1.7956 1.7956 1.8356 1.8356 1.8753 1.8753 4.0146 4.0146 5.0894 5.0894 6.2366 6.2366 6.5668 6.5668 7.3068 7.3068 k = 0.2000 0.1155-0.0000 ( 21943 PWs) bands (ev): -42.4981 -42.4981 -42.4905 -42.4905 -42.4903 -42.4903 -41.8272 -41.8272 -41.7831 -41.7831 -41.7830 -41.7830 -41.4615 -41.4615 -41.4607 -41.4607 -41.4602 -41.4602 -41.3335 -41.3335 -13.1764 -13.1764 -8.8226 -8.8226 -8.7928 -8.7928 -8.7676 -8.7676 -1.9305 -1.9305 -1.6584 -1.6584 -0.5749 -0.5749 0.3853 0.3853 1.1504 1.1504 1.2396 1.2396 1.3631 1.3631 1.4146 1.4146 1.6382 1.6382 1.7866 1.7866 1.8351 1.8351 1.8788 1.8788 4.0752 4.0752 5.1058 5.1058 6.2188 6.2188 6.6137 6.6137 7.3216 7.3216 k = 0.2200 0.1270-0.0000 ( 21945 PWs) bands (ev): -42.4981 -42.4981 -42.4906 -42.4906 -42.4903 -42.4903 -41.8272 -41.8272 -41.7831 -41.7831 -41.7830 -41.7830 -41.4616 -41.4616 -41.4607 -41.4607 -41.4601 -41.4601 -41.3335 -41.3335 -13.1764 -13.1764 -8.8251 -8.8251 -8.7928 -8.7928 -8.7654 -8.7654 -1.9246 -1.9246 -1.6501 -1.6501 -0.5733 -0.5733 0.4005 0.4005 1.1188 1.1188 1.2244 1.2244 1.3676 1.3676 1.4123 1.4123 1.6023 1.6023 1.7769 1.7769 1.8346 1.8346 1.8825 1.8825 4.1382 4.1382 5.1221 5.1221 6.2020 6.2020 6.6640 6.6640 7.3324 7.3324 k = 0.2400 0.1386-0.0000 ( 21935 PWs) bands (ev): -42.4980 -42.4980 -42.4906 -42.4906 -42.4903 -42.4903 -41.8273 -41.8273 -41.7831 -41.7831 -41.7829 -41.7829 -41.4616 -41.4616 -41.4607 -41.4607 -41.4601 -41.4601 -41.3335 -41.3335 -13.1764 -13.1764 -8.8274 -8.8274 -8.7929 -8.7929 -8.7634 -8.7634 -1.9185 -1.9185 -1.6414 -1.6414 -0.5717 -0.5717 0.4167 0.4167 1.0866 1.0866 1.2092 1.2092 1.3725 1.3725 1.4098 1.4098 1.5657 1.5657 1.7667 1.7667 1.8341 1.8341 1.8864 1.8864 4.2031 4.2031 5.1378 5.1378 6.1868 6.1868 6.7174 6.7174 7.3385 7.3385 k = 0.2600 0.1501-0.0000 ( 21937 PWs) bands (ev): -42.4980 -42.4980 -42.4907 -42.4907 -42.4903 -42.4903 -41.8273 -41.8273 -41.7831 -41.7831 -41.7829 -41.7829 -41.4617 -41.4617 -41.4607 -41.4607 -41.4600 -41.4600 -41.3335 -41.3335 -13.1763 -13.1763 -8.8297 -8.8297 -8.7929 -8.7929 -8.7615 -8.7615 -1.9124 -1.9124 -1.6325 -1.6325 -0.5700 -0.5700 0.4338 0.4338 1.0546 1.0546 1.1942 1.1942 1.3777 1.3777 1.4070 1.4070 1.5287 1.5287 1.7562 1.7562 1.8336 1.8336 1.8903 1.8903 4.2690 4.2690 5.1523 5.1523 6.1736 6.1736 6.7734 6.7734 7.3391 7.3391 k = 0.2800 0.1617-0.0000 ( 21921 PWs) bands (ev): -42.4979 -42.4979 -42.4907 -42.4907 -42.4903 -42.4903 -41.8273 -41.8273 -41.7831 -41.7831 -41.7829 -41.7829 -41.4617 -41.4617 -41.4607 -41.4607 -41.4600 -41.4600 -41.3335 -41.3335 -13.1763 -13.1763 -8.8318 -8.8318 -8.7930 -8.7930 -8.7597 -8.7597 -1.9064 -1.9064 -1.6234 -1.6234 -0.5682 -0.5682 0.4514 0.4514 1.0232 1.0232 1.1796 1.1796 1.3828 1.3828 1.4044 1.4044 1.4919 1.4919 1.7454 1.7454 1.8330 1.8330 1.8942 1.8942 4.3355 4.3355 5.1651 5.1651 6.1627 6.1627 6.8314 6.8314 7.3340 7.3340 k = 0.3000 0.1732-0.0000 ( 21903 PWs) bands (ev): -42.4979 -42.4979 -42.4908 -42.4908 -42.4903 -42.4903 -41.8273 -41.8273 -41.7831 -41.7831 -41.7829 -41.7829 -41.4617 -41.4617 -41.4607 -41.4607 -41.4600 -41.4600 -41.3335 -41.3335 -13.1763 -13.1763 -8.8337 -8.8337 -8.7930 -8.7930 -8.7581 -8.7581 -1.9005 -1.9005 -1.6143 -1.6143 -0.5666 -0.5666 0.4694 0.4694 0.9930 0.9930 1.1656 1.1656 1.3874 1.3874 1.4025 1.4025 1.4555 1.4555 1.7345 1.7345 1.8325 1.8325 1.8981 1.8981 4.4017 4.4017 5.1754 5.1754 6.1545 6.1545 6.8910 6.8910 7.3230 7.3230 k = 0.3200 0.1848-0.0000 ( 21897 PWs) bands (ev): -42.4978 -42.4978 -42.4908 -42.4908 -42.4903 -42.4903 -41.8274 -41.8274 -41.7831 -41.7831 -41.7828 -41.7828 -41.4618 -41.4618 -41.4607 -41.4607 -41.4599 -41.4599 -41.3335 -41.3335 -13.1763 -13.1763 -8.8355 -8.8355 -8.7930 -8.7930 -8.7566 -8.7566 -1.8949 -1.8949 -1.6054 -1.6054 -0.5649 -0.5649 0.4874 0.4874 0.9646 0.9646 1.1523 1.1523 1.3896 1.3896 1.4026 1.4026 1.4204 1.4204 1.7237 1.7237 1.8320 1.8320 1.9018 1.9018 4.4672 4.4672 5.1828 5.1828 6.1493 6.1493 6.9515 6.9515 7.3066 7.3066 k = 0.3400 0.1963-0.0000 ( 21909 PWs) bands (ev): -42.4977 -42.4977 -42.4909 -42.4909 -42.4903 -42.4903 -41.8274 -41.8274 -41.7831 -41.7831 -41.7828 -41.7828 -41.4618 -41.4618 -41.4607 -41.4607 -41.4599 -41.4599 -41.3335 -41.3335 -13.1763 -13.1763 -8.8372 -8.8372 -8.7931 -8.7931 -8.7552 -8.7552 -1.8897 -1.8897 -1.5968 -1.5968 -0.5633 -0.5633 0.5052 0.5052 0.9386 0.9386 1.1399 1.1399 1.3810 1.3810 1.3940 1.3940 1.4063 1.4063 1.7130 1.7130 1.8316 1.8316 1.9052 1.9052 4.5313 4.5313 5.1868 5.1868 6.1471 6.1471 7.0119 7.0119 7.2855 7.2855 k = 0.3600 0.2078-0.0000 ( 21901 PWs) bands (ev): -42.4977 -42.4977 -42.4909 -42.4909 -42.4903 -42.4903 -41.8274 -41.8274 -41.7831 -41.7831 -41.7828 -41.7828 -41.4618 -41.4618 -41.4607 -41.4607 -41.4598 -41.4598 -41.3335 -41.3335 -13.1762 -13.1762 -8.8387 -8.8387 -8.7931 -8.7931 -8.7540 -8.7540 -1.8848 -1.8848 -1.5887 -1.5887 -0.5619 -0.5619 0.5222 0.5222 0.9154 0.9154 1.1285 1.1285 1.3507 1.3507 1.3896 1.3896 1.4114 1.4114 1.7028 1.7028 1.8312 1.8312 1.9084 1.9084 4.5934 4.5934 5.1869 5.1869 6.1478 6.1478 7.0713 7.0713 7.2611 7.2611 k = 0.3800 0.2194-0.0000 ( 21923 PWs) bands (ev): -42.4977 -42.4977 -42.4910 -42.4910 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7828 -41.7828 -41.4619 -41.4619 -41.4607 -41.4607 -41.4598 -41.4598 -41.3335 -41.3335 -13.1762 -13.1762 -8.8399 -8.8399 -8.7931 -8.7931 -8.7530 -8.7530 -1.8805 -1.8805 -1.5812 -1.5812 -0.5605 -0.5605 0.5380 0.5380 0.8954 0.8954 1.1183 1.1183 1.3202 1.3202 1.3872 1.3872 1.4168 1.4168 1.6932 1.6932 1.8308 1.8308 1.9113 1.9113 4.6526 4.6526 5.1830 5.1830 6.1511 6.1511 7.1278 7.1278 7.2357 7.2357 k = 0.4000 0.2309-0.0000 ( 21929 PWs) bands (ev): -42.4976 -42.4976 -42.4910 -42.4910 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4598 -41.4598 -41.3335 -41.3335 -13.1762 -13.1762 -8.8410 -8.8410 -8.7932 -8.7932 -8.7521 -8.7521 -1.8767 -1.8767 -1.5746 -1.5746 -0.5594 -0.5594 0.5522 0.5522 0.8790 0.8790 1.1094 1.1094 1.2923 1.2923 1.3850 1.3850 1.4222 1.4222 1.6845 1.6845 1.8305 1.8305 1.9139 1.9139 4.7082 4.7082 5.1752 5.1752 6.1564 6.1564 7.1726 7.1726 7.2184 7.2184 k = 0.4200 0.2425-0.0000 ( 21912 PWs) bands (ev): -42.4976 -42.4976 -42.4910 -42.4910 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4598 -41.4598 -41.3335 -41.3335 -13.1762 -13.1762 -8.8420 -8.8420 -8.7932 -8.7932 -8.7513 -8.7513 -1.8735 -1.8735 -1.5689 -1.5689 -0.5584 -0.5584 0.5642 0.5642 0.8663 0.8663 1.1020 1.1020 1.2677 1.2677 1.3832 1.3832 1.4270 1.4270 1.6768 1.6768 1.8302 1.8302 1.9160 1.9160 4.7591 4.7591 5.1641 5.1641 6.1628 6.1628 7.1702 7.1702 7.2450 7.2450 k = 0.4400 0.2540-0.0000 ( 21906 PWs) bands (ev): -42.4976 -42.4976 -42.4910 -42.4910 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4598 -41.4598 -41.3335 -41.3335 -13.1762 -13.1762 -8.8427 -8.8427 -8.7932 -8.7932 -8.7508 -8.7508 -1.8710 -1.8710 -1.5644 -1.5644 -0.5576 -0.5576 0.5737 0.5737 0.8571 0.8571 1.0961 1.0961 1.2474 1.2474 1.3817 1.3817 1.4311 1.4311 1.6705 1.6705 1.8300 1.8300 1.9176 1.9176 4.8037 4.8037 5.1508 5.1508 6.1694 6.1694 7.1504 7.1504 7.2856 7.2856 k = 0.4600 0.2656-0.0000 ( 21898 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4598 -41.4598 -41.3335 -41.3335 -13.1762 -13.1762 -8.8432 -8.8432 -8.7932 -8.7932 -8.7504 -8.7504 -1.8692 -1.8692 -1.5611 -1.5611 -0.5570 -0.5570 0.5805 0.5805 0.8511 0.8511 1.0919 1.0919 1.2321 1.2321 1.3806 1.3806 1.4343 1.4343 1.6658 1.6658 1.8298 1.8298 1.9189 1.9189 4.8398 4.8398 5.1372 5.1372 6.1751 6.1751 7.1335 7.1335 7.3189 7.3189 k = 0.4800 0.2771-0.0000 ( 21904 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1762 -13.1762 -8.8435 -8.8435 -8.7932 -8.7932 -8.7501 -8.7501 -1.8681 -1.8681 -1.5591 -1.5591 -0.5566 -0.5566 0.5845 0.5845 0.8478 0.8478 1.0893 1.0893 1.2226 1.2226 1.3800 1.3800 1.4363 1.4363 1.6629 1.6629 1.8297 1.8297 1.9196 1.9196 4.8641 4.8641 5.1265 5.1265 6.1790 6.1790 7.1225 7.1225 7.3407 7.3407 k = 0.5000 0.2887-0.0000 ( 21898 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1762 -13.1762 -8.8436 -8.8436 -8.7932 -8.7932 -8.7500 -8.7500 -1.8677 -1.8677 -1.5584 -1.5584 -0.5565 -0.5565 0.5858 0.5858 0.8468 0.8468 1.0884 1.0884 1.2194 1.2194 1.3798 1.3798 1.4369 1.4369 1.6619 1.6619 1.8297 1.8297 1.9199 1.9199 4.8728 4.8728 5.1224 5.1224 6.1804 6.1804 7.1187 7.1187 7.3483 7.3483 k = 0.5000 0.2887-0.0000 ( 21898 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1762 -13.1762 -8.8436 -8.8436 -8.7932 -8.7932 -8.7500 -8.7500 -1.8677 -1.8677 -1.5584 -1.5584 -0.5565 -0.5565 0.5858 0.5858 0.8468 0.8468 1.0884 1.0884 1.2194 1.2194 1.3798 1.3798 1.4369 1.4369 1.6619 1.6619 1.8297 1.8297 1.9199 1.9199 4.8728 4.8728 5.1224 5.1224 6.1804 6.1804 7.1187 7.1187 7.3483 7.3483 k = 0.4889 0.3079-0.0000 ( 21918 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1762 -13.1762 -8.8436 -8.8436 -8.7932 -8.7932 -8.7500 -8.7500 -1.8688 -1.8662 -1.5600 -1.5567 -0.5566 -0.5564 0.5863 0.5866 0.8467 0.8469 1.0848 1.0851 1.2219 1.2220 1.3794 1.3812 1.4373 1.4373 1.6611 1.6612 1.8299 1.8299 1.9179 1.9183 4.8755 4.8758 5.1230 5.1239 6.1776 6.1802 7.1095 7.1218 7.3417 7.3556 k = 0.4778 0.3272-0.0000 ( 21920 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1762 -13.1762 -8.8438 -8.8438 -8.7931 -8.7931 -8.7500 -8.7500 -1.8693 -1.8641 -1.5616 -1.5550 -0.5566 -0.5562 0.5880 0.5884 0.8467 0.8470 1.0749 1.0754 1.2289 1.2290 1.3800 1.3835 1.4385 1.4385 1.6590 1.6591 1.8306 1.8306 1.9125 1.9134 4.8840 4.8846 5.1256 5.1275 6.1720 6.1771 7.0956 7.1185 7.3362 7.3617 k = 0.4667 0.3464-0.0000 ( 21916 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1762 -13.1762 -8.8440 -8.8440 -8.7930 -8.7930 -8.7500 -8.7500 -1.8694 -1.8616 -1.5632 -1.5533 -0.5566 -0.5559 0.5908 0.5915 0.8467 0.8471 1.0606 1.0613 1.2386 1.2389 1.3817 1.3867 1.4403 1.4404 1.6555 1.6556 1.8316 1.8317 1.9040 1.9052 4.8979 4.8988 5.1303 5.1330 6.1635 6.1711 7.0783 7.1093 7.3309 7.3640 k = 0.4556 0.3657-0.0000 ( 21930 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1762 -13.1762 -8.8443 -8.8442 -8.7928 -8.7928 -8.7499 -8.7499 -1.8690 -1.8588 -1.5646 -1.5515 -0.5565 -0.5556 0.5947 0.5957 0.8466 0.8472 1.0434 1.0442 1.2496 1.2502 1.3841 1.3905 1.4430 1.4430 1.6508 1.6510 1.8330 1.8330 1.8926 1.8943 4.9167 4.9180 5.1370 5.1405 6.1522 6.1623 7.0589 7.0957 7.3242 7.3598 k = 0.4444 0.3849-0.0000 ( 21902 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1761 -13.1761 -8.8446 -8.8446 -8.7926 -8.7926 -8.7499 -8.7498 -1.8683 -1.8556 -1.5660 -1.5498 -0.5563 -0.5553 0.5998 0.6010 0.8465 0.8473 1.0245 1.0254 1.2609 1.2620 1.3873 1.3947 1.4463 1.4463 1.6451 1.6453 1.8345 1.8346 1.8789 1.8810 4.9397 4.9415 5.1455 5.1498 6.1383 6.1508 7.0385 7.0790 7.3141 7.3479 k = 0.4333 0.4041-0.0000 ( 21910 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1761 -13.1761 -8.8450 -8.8450 -8.7923 -8.7923 -8.7498 -8.7497 -1.8672 -1.8521 -1.5673 -1.5481 -0.5562 -0.5549 0.6058 0.6073 0.8461 0.8472 1.0047 1.0056 1.2720 1.2739 1.3908 1.3988 1.4503 1.4503 1.6385 1.6386 1.8361 1.8363 1.8635 1.8661 4.9662 4.9684 5.1557 5.1607 6.1220 6.1368 7.0180 7.0608 7.3002 7.3291 k = 0.4222 0.4234-0.0000 ( 21904 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1761 -13.1761 -8.8454 -8.8454 -8.7921 -8.7921 -8.7497 -8.7496 -1.8659 -1.8486 -1.5684 -1.5464 -0.5559 -0.5545 0.6129 0.6147 0.8455 0.8468 0.9848 0.9857 1.2827 1.2856 1.3942 1.4025 1.4549 1.4549 1.6312 1.6313 1.8375 1.8378 1.8472 1.8503 4.9951 4.9978 5.1672 5.1730 6.1036 6.1208 6.9979 7.0421 7.2829 7.3060 k = 0.4111 0.4426-0.0000 ( 21898 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1761 -13.1761 -8.8459 -8.8458 -8.7918 -8.7918 -8.7496 -8.7495 -1.8644 -1.8450 -1.5693 -1.5447 -0.5557 -0.5541 0.6207 0.6228 0.8444 0.8460 0.9654 0.9662 1.2928 1.2969 1.3972 1.4054 1.4599 1.4600 1.6234 1.6235 1.8301 1.8328 1.8398 1.8405 5.0253 5.0287 5.1798 5.1862 6.0837 6.1033 6.9788 7.0238 7.2637 7.2812 k = 0.4000 0.4619-0.0000 ( 21892 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8276 -41.8276 -41.7831 -41.7831 -41.7827 -41.7827 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1761 -13.1761 -8.8463 -8.8462 -8.7916 -8.7916 -8.7495 -8.7494 -1.8628 -1.8416 -1.5700 -1.5431 -0.5555 -0.5537 0.6292 0.6317 0.8427 0.8445 0.9471 0.9478 1.3023 1.3079 1.3993 1.4070 1.4654 1.4656 1.6153 1.6154 1.8142 1.8176 1.8412 1.8414 5.0557 5.0598 5.1928 5.1998 6.0630 6.0849 6.9609 7.0063 7.2442 7.2568 k = 0.3889 0.4811-0.0000 ( 21884 PWs) bands (ev): -42.4974 -42.4974 -42.4911 -42.4911 -42.4903 -42.4903 -41.8276 -41.8276 -41.7831 -41.7831 -41.7827 -41.7826 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1761 -13.1761 -8.8467 -8.8466 -8.7914 -8.7914 -8.7494 -8.7493 -1.8613 -1.8384 -1.5706 -1.5416 -0.5552 -0.5534 0.6382 0.6410 0.8399 0.8422 0.9307 0.9314 1.3113 1.3185 1.4002 1.4069 1.4712 1.4714 1.6072 1.6072 1.7996 1.8033 1.8425 1.8426 5.0854 5.0900 5.2053 5.2131 6.0426 6.0668 6.9444 6.9901 7.2258 7.2344 k = 0.3778 0.5004-0.0000 ( 21890 PWs) bands (ev): -42.4974 -42.4974 -42.4912 -42.4912 -42.4903 -42.4903 -41.8276 -41.8276 -41.7831 -41.7831 -41.7826 -41.7826 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1761 -13.1761 -8.8471 -8.8470 -8.7912 -8.7912 -8.7492 -8.7492 -1.8599 -1.8355 -1.5709 -1.5402 -0.5550 -0.5530 0.6471 0.6504 0.8359 0.8386 0.9170 0.9176 1.3196 1.3288 1.3995 1.4048 1.4770 1.4772 1.5993 1.5993 1.7871 1.7910 1.8435 1.8436 5.1133 5.1183 5.2161 5.2248 6.0236 6.0500 6.9296 6.9756 7.2099 7.2152 k = 0.3667 0.5196-0.0000 ( 21878 PWs) bands (ev): -42.4974 -42.4974 -42.4912 -42.4912 -42.4903 -42.4903 -41.8276 -41.8276 -41.7831 -41.7831 -41.7826 -41.7826 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1761 -13.1761 -8.8474 -8.8473 -8.7911 -8.7911 -8.7491 -8.7491 -1.8586 -1.8332 -1.5711 -1.5390 -0.5548 -0.5527 0.6555 0.6592 0.8309 0.8340 0.9065 0.9071 1.3271 1.3387 1.3975 1.4007 1.4825 1.4828 1.5921 1.5921 1.7772 1.7812 1.8444 1.8445 5.1389 5.1440 5.2237 5.2335 6.0073 6.0358 6.9168 6.9631 7.1971 7.2001 k = 0.3556 0.5389-0.0000 ( 21868 PWs) bands (ev): -42.4974 -42.4974 -42.4912 -42.4912 -42.4903 -42.4903 -41.8276 -41.8276 -41.7831 -41.7831 -41.7826 -41.7826 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1761 -13.1761 -8.8476 -8.8475 -8.7910 -8.7910 -8.7491 -8.7490 -1.8577 -1.8314 -1.5712 -1.5380 -0.5546 -0.5525 0.6626 0.6667 0.8255 0.8291 0.8995 0.8999 1.3335 1.3479 1.3944 1.3950 1.4872 1.4875 1.5861 1.5862 1.7702 1.7742 1.8450 1.8450 5.1616 5.1663 5.2265 5.2378 5.9949 6.0251 6.9067 6.9533 7.1881 7.1895 k = 0.3444 0.5581-0.0000 ( 21868 PWs) bands (ev): -42.4974 -42.4974 -42.4912 -42.4912 -42.4903 -42.4903 -41.8276 -41.8276 -41.7831 -41.7831 -41.7826 -41.7826 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1761 -13.1761 -8.8477 -8.8477 -8.7909 -8.7909 -8.7490 -8.7489 -1.8571 -1.8303 -1.5711 -1.5374 -0.5545 -0.5524 0.6675 0.6720 0.8213 0.8252 0.8956 0.8959 1.3381 1.3557 1.3889 1.3915 1.4905 1.4908 1.5821 1.5821 1.7661 1.7702 1.8453 1.8454 5.1804 5.1838 5.2237 5.2370 5.9873 6.0186 6.8999 6.9469 7.1829 7.1833 k = 0.3333 0.5774-0.0000 ( 21870 PWs) bands (ev): -42.4974 -42.4974 -42.4912 -42.4912 -42.4903 -42.4903 -41.8276 -41.8276 -41.7831 -41.7831 -41.7826 -41.7826 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1761 -13.1761 -8.8478 -8.8477 -8.7909 -8.7909 -8.7490 -8.7489 -1.8569 -1.8299 -1.5711 -1.5372 -0.5544 -0.5523 0.6693 0.6739 0.8197 0.8237 0.8943 0.8946 1.3398 1.3593 1.3858 1.3901 1.4917 1.4920 1.5806 1.5807 1.7648 1.7689 1.8454 1.8455 5.1901 5.1917 5.2195 5.2348 5.9848 6.0166 6.8974 6.9445 7.1812 7.1814 k = 0.3333 0.5774-0.0000 ( 21870 PWs) bands (ev): -42.4974 -42.4974 -42.4912 -42.4912 -42.4903 -42.4903 -41.8276 -41.8276 -41.7831 -41.7831 -41.7826 -41.7826 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1761 -13.1761 -8.8478 -8.8477 -8.7909 -8.7909 -8.7490 -8.7489 -1.8569 -1.8299 -1.5711 -1.5372 -0.5544 -0.5523 0.6693 0.6739 0.8197 0.8237 0.8943 0.8946 1.3398 1.3593 1.3858 1.3901 1.4917 1.4920 1.5806 1.5807 1.7648 1.7689 1.8454 1.8455 5.1901 5.1917 5.2195 5.2348 5.9848 6.0166 6.8974 6.9445 7.1812 7.1814 k = 0.3218 0.5574-0.0000 ( 21872 PWs) bands (ev): -42.4974 -42.4974 -42.4912 -42.4912 -42.4903 -42.4903 -41.8276 -41.8276 -41.7831 -41.7831 -41.7826 -41.7826 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1761 -13.1761 -8.8477 -8.8477 -8.7909 -8.7909 -8.7490 -8.7489 -1.8571 -1.8303 -1.5712 -1.5374 -0.5545 -0.5524 0.6673 0.6718 0.8215 0.8254 0.8957 0.8960 1.3380 1.3554 1.3894 1.3918 1.4903 1.4906 1.5822 1.5823 1.7661 1.7701 1.8453 1.8454 5.1773 5.1812 5.2264 5.2392 5.9872 6.0185 6.9004 6.9473 7.1828 7.1832 k = 0.3103 0.5375-0.0000 ( 21869 PWs) bands (ev): -42.4974 -42.4974 -42.4912 -42.4912 -42.4903 -42.4903 -41.8276 -41.8276 -41.7831 -41.7831 -41.7826 -41.7826 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1761 -13.1761 -8.8475 -8.8475 -8.7910 -8.7910 -8.7491 -8.7490 -1.8578 -1.8316 -1.5715 -1.5383 -0.5546 -0.5526 0.6615 0.6656 0.8267 0.8303 0.8999 0.9004 1.3333 1.3474 1.3964 1.3975 1.4864 1.4868 1.5870 1.5871 1.7694 1.7736 1.8450 1.8451 5.1482 5.1538 5.2382 5.2485 5.9936 6.0234 6.9098 6.9561 7.1867 7.1881 k = 0.2989 0.5176-0.0000 ( 21867 PWs) bands (ev): -42.4974 -42.4974 -42.4912 -42.4912 -42.4903 -42.4903 -41.8276 -41.8276 -41.7831 -41.7831 -41.7826 -41.7826 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1761 -13.1761 -8.8472 -8.8472 -8.7911 -8.7911 -8.7493 -8.7492 -1.8591 -1.8336 -1.5721 -1.5399 -0.5549 -0.5529 0.6526 0.6562 0.8339 0.8372 0.9074 0.9083 1.3275 1.3388 1.4031 1.4070 1.4806 1.4809 1.5943 1.5944 1.7744 1.7787 1.8445 1.8446 5.1094 5.1155 5.2488 5.2575 6.0025 6.0300 6.9262 6.9713 7.1917 7.1947 k = 0.2874 0.4977-0.0000 ( 21879 PWs) bands (ev): -42.4974 -42.4974 -42.4911 -42.4911 -42.4903 -42.4903 -41.8276 -41.8276 -41.7831 -41.7831 -41.7827 -41.7827 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1761 -13.1761 -8.8468 -8.8467 -8.7912 -8.7912 -8.7495 -8.7494 -1.8609 -1.8365 -1.5732 -1.5423 -0.5553 -0.5534 0.6413 0.6444 0.8421 0.8451 0.9187 0.9200 1.3219 1.3311 1.4110 1.4172 1.4734 1.4738 1.6036 1.6036 1.7806 1.7851 1.8439 1.8439 5.0632 5.0691 5.2572 5.2646 6.0128 6.0372 6.9495 6.9930 7.1962 7.2015 k = 0.2759 0.4778-0.0000 ( 21891 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8276 -41.8276 -41.7831 -41.7831 -41.7827 -41.7827 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1761 -13.1761 -8.8462 -8.8461 -8.7913 -8.7913 -8.7498 -8.7498 -1.8633 -1.8400 -1.5749 -1.5456 -0.5559 -0.5541 0.6281 0.6308 0.8508 0.8535 0.9337 0.9355 1.3174 1.3252 1.4196 1.4276 1.4654 1.4661 1.6142 1.6142 1.7877 1.7923 1.8431 1.8432 5.0109 5.0164 5.2630 5.2693 6.0235 6.0443 6.9793 7.0207 7.1978 7.2063 k = 0.2644 0.4579-0.0000 ( 21883 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1761 -13.1761 -8.8454 -8.8454 -8.7914 -8.7914 -8.7503 -8.7502 -1.8661 -1.8443 -1.5772 -1.5497 -0.5566 -0.5549 0.6136 0.6158 0.8602 0.8626 0.9518 0.9543 1.3147 1.3213 1.4285 1.4383 1.4571 1.4582 1.6258 1.6258 1.7952 1.8001 1.8423 1.8424 4.9537 4.9587 5.2661 5.2713 6.0341 6.0510 7.0145 7.0534 7.1939 7.2061 k = 0.2529 0.4380-0.0000 ( 21883 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1762 -13.1762 -8.8445 -8.8445 -8.7916 -8.7916 -8.7508 -8.7508 -1.8695 -1.8492 -1.5803 -1.5547 -0.5574 -0.5559 0.5978 0.5996 0.8708 0.8729 0.9724 0.9755 1.3141 1.3198 1.4364 1.4466 1.4514 1.4518 1.6380 1.6380 1.8029 1.8081 1.8415 1.8415 4.8926 4.8970 5.2663 5.2705 6.0444 6.0574 7.0537 7.0899 7.1819 7.1980 k = 0.2414 0.4181-0.0000 ( 21897 PWs) bands (ev): -42.4976 -42.4976 -42.4910 -42.4910 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4598 -41.4598 -41.3335 -41.3335 -13.1762 -13.1762 -8.8435 -8.8434 -8.7917 -8.7917 -8.7515 -8.7514 -1.8733 -1.8546 -1.5841 -1.5606 -0.5584 -0.5570 0.5811 0.5825 0.8831 0.8850 0.9947 0.9985 1.3156 1.3206 1.4363 1.4394 1.4538 1.4615 1.6507 1.6507 1.8106 1.8161 1.8406 1.8406 4.8284 4.8323 5.2636 5.2669 6.0546 6.0638 7.0951 7.1286 7.1602 7.1796 k = 0.2299 0.3982-0.0000 ( 21897 PWs) bands (ev): -42.4976 -42.4976 -42.4910 -42.4910 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4598 -41.4598 -41.3335 -41.3335 -13.1762 -13.1762 -8.8423 -8.8422 -8.7919 -8.7919 -8.7523 -8.7522 -1.8775 -1.8605 -1.5888 -1.5674 -0.5596 -0.5583 0.5635 0.5646 0.8978 0.8994 1.0181 1.0225 1.3192 1.3237 1.4295 1.4310 1.4633 1.4734 1.6638 1.6638 1.8181 1.8239 1.8398 1.8398 4.7618 4.7652 5.2582 5.2606 6.0650 6.0707 7.1283 7.1364 7.1509 7.1680 k = 0.2184 0.3783-0.0000 ( 21885 PWs) bands (ev): -42.4976 -42.4976 -42.4910 -42.4910 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7828 -41.7828 -41.4619 -41.4619 -41.4607 -41.4607 -41.4598 -41.4598 -41.3335 -41.3335 -13.1762 -13.1762 -8.8409 -8.8409 -8.7920 -8.7920 -8.7532 -8.7532 -1.8821 -1.8667 -1.5941 -1.5750 -0.5608 -0.5597 0.5452 0.5461 0.9149 0.9164 1.0420 1.0471 1.3248 1.3289 1.4217 1.4228 1.4748 1.4861 1.6769 1.6769 1.8252 1.8313 1.8390 1.8390 4.6934 4.6963 5.2501 5.2518 6.0760 6.0785 7.0881 7.1105 7.1784 7.2061 k = 0.2069 0.3584-0.0000 ( 21915 PWs) bands (ev): -42.4977 -42.4977 -42.4909 -42.4909 -42.4903 -42.4903 -41.8274 -41.8274 -41.7831 -41.7831 -41.7828 -41.7828 -41.4618 -41.4618 -41.4607 -41.4607 -41.4598 -41.4598 -41.3335 -41.3335 -13.1762 -13.1762 -8.8394 -8.8394 -8.7922 -8.7922 -8.7543 -8.7543 -1.8870 -1.8733 -1.6002 -1.5832 -0.5622 -0.5612 0.5264 0.5271 0.9345 0.9359 1.0660 1.0719 1.3322 1.3360 1.4139 1.4148 1.4875 1.4997 1.6902 1.6902 1.8317 1.8381 1.8384 1.8385 4.6238 4.6262 5.2396 5.2408 6.0876 6.0877 7.0412 7.0636 7.2163 7.2414 k = 0.1954 0.3384-0.0000 ( 21911 PWs) bands (ev): -42.4977 -42.4977 -42.4909 -42.4909 -42.4903 -42.4903 -41.8274 -41.8274 -41.7831 -41.7831 -41.7828 -41.7828 -41.4618 -41.4618 -41.4607 -41.4607 -41.4599 -41.4599 -41.3335 -41.3335 -13.1762 -13.1762 -8.8378 -8.8377 -8.7923 -8.7923 -8.7555 -8.7555 -1.8922 -1.8802 -1.6069 -1.5919 -0.5637 -0.5628 0.5074 0.5079 0.9565 0.9579 1.0897 1.0963 1.3410 1.3445 1.4064 1.4072 1.5016 1.5144 1.7033 1.7033 1.8365 1.8376 1.8391 1.8447 4.5534 4.5554 5.2269 5.2277 6.0980 6.1003 6.9894 7.0113 7.2500 7.2727 k = 0.1839 0.3185-0.0000 ( 21921 PWs) bands (ev): -42.4978 -42.4978 -42.4908 -42.4908 -42.4903 -42.4903 -41.8274 -41.8274 -41.7831 -41.7831 -41.7828 -41.7828 -41.4618 -41.4618 -41.4607 -41.4607 -41.4599 -41.4599 -41.3335 -41.3335 -13.1763 -13.1763 -8.8360 -8.8359 -8.7924 -8.7924 -8.7569 -8.7568 -1.8976 -1.8872 -1.6141 -1.6012 -0.5653 -0.5645 0.4884 0.4888 0.9808 0.9823 1.1129 1.1202 1.3508 1.3539 1.3992 1.4000 1.5172 1.5304 1.7163 1.7163 1.8368 1.8371 1.8437 1.8504 4.4826 4.4843 5.2125 5.2129 6.1099 6.1141 6.9345 6.9555 7.2784 7.2986 k = 0.1724 0.2986-0.0000 ( 21929 PWs) bands (ev): -42.4979 -42.4979 -42.4908 -42.4908 -42.4903 -42.4903 -41.8273 -41.8273 -41.7831 -41.7831 -41.7829 -41.7829 -41.4617 -41.4617 -41.4607 -41.4607 -41.4600 -41.4600 -41.3335 -41.3335 -13.1763 -13.1763 -8.8340 -8.8340 -8.7925 -8.7925 -8.7583 -8.7583 -1.9033 -1.8944 -1.6217 -1.6106 -0.5669 -0.5663 0.4695 0.4698 1.0071 1.0087 1.1353 1.1432 1.3610 1.3637 1.3925 1.3933 1.5347 1.5482 1.7290 1.7290 1.8365 1.8367 1.8483 1.8553 4.4119 4.4132 5.1966 5.1968 6.1234 6.1291 6.8780 6.8979 7.3007 7.3186 k = 0.1609 0.2787-0.0000 ( 21925 PWs) bands (ev): -42.4979 -42.4979 -42.4907 -42.4907 -42.4903 -42.4903 -41.8273 -41.8273 -41.7831 -41.7831 -41.7829 -41.7829 -41.4617 -41.4617 -41.4607 -41.4607 -41.4600 -41.4600 -41.3335 -41.3335 -13.1763 -13.1763 -8.8320 -8.8320 -8.7925 -8.7925 -8.7600 -8.7599 -1.9090 -1.9015 -1.6295 -1.6203 -0.5685 -0.5680 0.4510 0.4513 1.0349 1.0369 1.1567 1.1652 1.3705 1.3728 1.3868 1.3878 1.5543 1.5679 1.7414 1.7414 1.8362 1.8363 1.8523 1.8595 4.3416 4.3427 5.1796 5.1796 6.1384 6.1452 6.8210 6.8397 7.3165 7.3321 k = 0.1494 0.2588-0.0000 ( 21935 PWs) bands (ev): -42.4980 -42.4980 -42.4907 -42.4907 -42.4903 -42.4903 -41.8273 -41.8273 -41.7831 -41.7831 -41.7829 -41.7829 -41.4617 -41.4617 -41.4607 -41.4607 -41.4600 -41.4600 -41.3335 -41.3335 -13.1764 -13.1764 -8.8298 -8.8298 -8.7926 -8.7926 -8.7617 -8.7617 -1.9149 -1.9087 -1.6375 -1.6299 -0.5702 -0.5698 0.4332 0.4333 1.0640 1.0663 1.1772 1.1861 1.3754 1.3764 1.3855 1.3877 1.5762 1.5897 1.7534 1.7534 1.8361 1.8362 1.8555 1.8629 4.2722 4.2731 5.1618 5.1618 6.1548 6.1624 6.7646 6.7820 7.3255 7.3389 k = 0.1379 0.2389-0.0000 ( 21943 PWs) bands (ev): -42.4980 -42.4980 -42.4906 -42.4906 -42.4903 -42.4903 -41.8273 -41.8273 -41.7831 -41.7831 -41.7829 -41.7829 -41.4616 -41.4616 -41.4607 -41.4607 -41.4601 -41.4601 -41.3335 -41.3335 -13.1764 -13.1764 -8.8275 -8.8275 -8.7926 -8.7926 -8.7636 -8.7636 -1.9207 -1.9157 -1.6454 -1.6393 -0.5719 -0.5716 0.4161 0.4162 1.0937 1.0965 1.1966 1.2058 1.3721 1.3727 1.3921 1.3944 1.6002 1.6134 1.7648 1.7648 1.8360 1.8361 1.8580 1.8656 4.2042 4.2048 5.1436 5.1436 6.1724 6.1804 6.7097 6.7258 7.3280 7.3392 k = 0.1264 0.2190-0.0000 ( 21951 PWs) bands (ev): -42.4981 -42.4981 -42.4906 -42.4906 -42.4903 -42.4903 -41.8272 -41.8272 -41.7831 -41.7831 -41.7830 -41.7830 -41.4616 -41.4616 -41.4607 -41.4607 -41.4601 -41.4601 -41.3335 -41.3335 -13.1764 -13.1764 -8.8251 -8.8251 -8.7927 -8.7927 -8.7656 -8.7656 -1.9265 -1.9225 -1.6532 -1.6484 -0.5735 -0.5733 0.3999 0.3999 1.1236 1.1270 1.2149 1.2245 1.3673 1.3679 1.3992 1.4015 1.6263 1.6388 1.7756 1.7756 1.8360 1.8361 1.8599 1.8674 4.1380 4.1385 5.1253 5.1254 6.1909 6.1993 6.6570 6.6718 7.3244 7.3337 k = 0.1149 0.1991-0.0000 ( 21947 PWs) bands (ev): -42.4981 -42.4981 -42.4905 -42.4905 -42.4903 -42.4903 -41.8272 -41.8272 -41.7831 -41.7831 -41.7830 -41.7830 -41.4615 -41.4615 -41.4607 -41.4607 -41.4602 -41.4602 -41.3335 -41.3335 -13.1764 -13.1764 -8.8226 -8.8226 -8.7927 -8.7927 -8.7677 -8.7677 -1.9321 -1.9290 -1.6608 -1.6571 -0.5751 -0.5749 0.3847 0.3848 1.1532 1.1573 1.2323 1.2421 1.3628 1.3634 1.4054 1.4075 1.6539 1.6657 1.7858 1.7858 1.8361 1.8362 1.8610 1.8685 4.0741 4.0745 5.1074 5.1075 6.2102 6.2186 6.6072 6.6207 7.3155 7.3230 k = 0.1034 0.1792-0.0000 ( 21955 PWs) bands (ev): -42.4982 -42.4982 -42.4905 -42.4905 -42.4903 -42.4903 -41.8272 -41.8272 -41.7831 -41.7831 -41.7830 -41.7830 -41.4614 -41.4614 -41.4607 -41.4607 -41.4603 -41.4603 -41.3335 -41.3335 -13.1765 -13.1765 -8.8200 -8.8200 -8.7927 -8.7927 -8.7700 -8.7700 -1.9375 -1.9352 -1.6679 -1.6652 -0.5766 -0.5765 0.3707 0.3707 1.1819 1.1866 1.2488 1.2587 1.3586 1.3593 1.4102 1.4123 1.6825 1.6933 1.7952 1.7952 1.8363 1.8363 1.8616 1.8690 4.0132 4.0134 5.0900 5.0901 6.2299 6.2381 6.5608 6.5729 7.3023 7.3081 k = 0.0920 0.1593-0.0000 ( 21957 PWs) bands (ev): -42.4982 -42.4982 -42.4904 -42.4904 -42.4903 -42.4903 -41.8271 -41.8271 -41.7832 -41.7832 -41.7830 -41.7830 -41.4614 -41.4614 -41.4607 -41.4607 -41.4603 -41.4603 -41.3335 -41.3335 -13.1765 -13.1765 -8.8173 -8.8173 -8.7927 -8.7927 -8.7723 -8.7723 -1.9426 -1.9410 -1.6746 -1.6727 -0.5780 -0.5779 0.3579 0.3579 1.2091 1.2144 1.2645 1.2744 1.3550 1.3556 1.4137 1.4156 1.7113 1.7211 1.8038 1.8039 1.8365 1.8365 1.8618 1.8688 3.9557 3.9559 5.0735 5.0736 6.2496 6.2576 6.5182 6.5291 7.2859 7.2902 k = 0.0805 0.1394-0.0000 ( 21943 PWs) bands (ev): -42.4982 -42.4982 -42.4904 -42.4904 -42.4903 -42.4903 -41.8271 -41.8271 -41.7832 -41.7832 -41.7831 -41.7831 -41.4613 -41.4613 -41.4607 -41.4607 -41.4604 -41.4604 -41.3335 -41.3335 -13.1765 -13.1765 -8.8145 -8.8145 -8.7927 -8.7927 -8.7748 -8.7748 -1.9474 -1.9463 -1.6807 -1.6794 -0.5793 -0.5792 0.3465 0.3465 1.2343 1.2399 1.2796 1.2892 1.3519 1.3526 1.4160 1.4178 1.7395 1.7482 1.8116 1.8116 1.8367 1.8368 1.8615 1.8682 3.9025 3.9026 5.0582 5.0582 6.2691 6.2765 6.4800 6.4895 7.2674 7.2704 k = 0.0690 0.1195-0.0000 ( 21937 PWs) bands (ev): -42.4983 -42.4983 -42.4904 -42.4904 -42.4903 -42.4903 -41.8271 -41.8271 -41.7832 -41.7832 -41.7831 -41.7831 -41.4613 -41.4613 -41.4607 -41.4607 -41.4604 -41.4604 -41.3335 -41.3335 -13.1765 -13.1765 -8.8117 -8.8117 -8.7927 -8.7927 -8.7773 -8.7773 -1.9517 -1.9510 -1.6862 -1.6854 -0.5804 -0.5804 0.3364 0.3364 1.2567 1.2621 1.2944 1.3030 1.3495 1.3502 1.4172 1.4187 1.7664 1.7738 1.8184 1.8185 1.8370 1.8370 1.8612 1.8672 3.8541 3.8542 5.0443 5.0443 6.2877 6.2945 6.4463 6.4545 7.2481 7.2501 k = 0.0575 0.0995-0.0000 ( 21933 PWs) bands (ev): -42.4983 -42.4983 -42.4903 -42.4903 -42.4903 -42.4903 -41.8271 -41.8271 -41.7832 -41.7832 -41.7831 -41.7831 -41.4612 -41.4612 -41.4607 -41.4607 -41.4605 -41.4605 -41.3335 -41.3335 -13.1765 -13.1765 -8.8089 -8.8089 -8.7926 -8.7926 -8.7800 -8.7800 -1.9555 -1.9551 -1.6909 -1.6904 -0.5814 -0.5814 0.3279 0.3279 1.2757 1.2800 1.3092 1.3160 1.3479 1.3485 1.4174 1.4186 1.7910 1.7971 1.8243 1.8243 1.8373 1.8373 1.8608 1.8661 3.8114 3.8114 5.0320 5.0320 6.3050 6.3110 6.4175 6.4244 7.2292 7.2304 k = 0.0460 0.0796-0.0000 ( 21925 PWs) bands (ev): -42.4983 -42.4983 -42.4903 -42.4903 -42.4903 -42.4903 -41.8270 -41.8270 -41.7832 -41.7832 -41.7831 -41.7831 -41.4611 -41.4611 -41.4607 -41.4607 -41.4606 -41.4606 -41.3335 -41.3335 -13.1765 -13.1765 -8.8060 -8.8060 -8.7926 -8.7926 -8.7827 -8.7827 -1.9588 -1.9586 -1.6949 -1.6946 -0.5823 -0.5823 0.3208 0.3208 1.2907 1.2934 1.3235 1.3280 1.3471 1.3477 1.4168 1.4177 1.8123 1.8171 1.8292 1.8292 1.8375 1.8375 1.8609 1.8651 3.7751 3.7751 5.0216 5.0216 6.3204 6.3255 6.3939 6.3993 7.2117 7.2123 k = 0.0345 0.0597-0.0000 ( 21941 PWs) bands (ev): -42.4984 -42.4984 -42.4903 -42.4903 -42.4903 -42.4903 -41.8270 -41.8270 -41.7832 -41.7832 -41.7831 -41.7831 -41.4611 -41.4611 -41.4607 -41.4607 -41.4606 -41.4606 -41.3335 -41.3335 -13.1766 -13.1766 -8.8031 -8.8031 -8.7926 -8.7926 -8.7854 -8.7854 -1.9614 -1.9613 -1.6980 -1.6979 -0.5829 -0.5829 0.3152 0.3152 1.3016 1.3028 1.3363 1.3385 1.3473 1.3476 1.4157 1.4162 1.8292 1.8324 1.8330 1.8331 1.8377 1.8378 1.8619 1.8647 3.7459 3.7459 5.0134 5.0134 6.3334 6.3372 6.3755 6.3796 7.1968 7.1971 k = 0.0230 0.0398-0.0000 ( 21945 PWs) bands (ev): -42.4984 -42.4984 -42.4903 -42.4903 -42.4903 -42.4903 -41.8270 -41.8270 -41.7832 -41.7832 -41.7832 -41.7832 -41.4610 -41.4610 -41.4607 -41.4607 -41.4607 -41.4607 -41.3335 -41.3335 -13.1766 -13.1766 -8.8003 -8.8003 -8.7926 -8.7926 -8.7882 -8.7882 -1.9633 -1.9632 -1.7003 -1.7003 -0.5834 -0.5834 0.3112 0.3112 1.3085 1.3089 1.3461 1.3469 1.3481 1.3483 1.4144 1.4146 1.8357 1.8358 1.8378 1.8378 1.8409 1.8421 1.8643 1.8655 3.7246 3.7246 5.0073 5.0073 6.3431 6.3457 6.3627 6.3654 7.1854 7.1855 k = 0.0115 0.0199-0.0000 ( 21937 PWs) bands (ev): -42.4984 -42.4984 -42.4903 -42.4903 -42.4903 -42.4903 -41.8270 -41.8270 -41.7832 -41.7832 -41.7832 -41.7832 -41.4610 -41.4610 -41.4607 -41.4607 -41.4607 -41.4607 -41.3335 -41.3335 -13.1766 -13.1766 -8.7975 -8.7975 -8.7926 -8.7926 -8.7909 -8.7909 -1.9644 -1.9644 -1.7017 -1.7017 -0.5837 -0.5837 0.3088 0.3088 1.3122 1.3122 1.3489 1.3490 1.3525 1.3526 1.4133 1.4133 1.8374 1.8374 1.8379 1.8379 1.8464 1.8466 1.8673 1.8674 3.7115 3.7115 5.0037 5.0037 6.3488 6.3497 6.3563 6.3572 7.1782 7.1782 k = 0.0000 0.0000 0.0000 ( 21935 PWs) bands (ev): -42.4984 -42.4984 -42.4903 -42.4903 -42.4903 -42.4903 -41.8270 -41.8270 -41.7832 -41.7832 -41.7832 -41.7832 -41.4610 -41.4610 -41.4607 -41.4607 -41.4607 -41.4607 -41.3335 -41.3335 -13.1766 -13.1766 -8.7958 -8.7958 -8.7926 -8.7926 -8.7926 -8.7926 -1.9648 -1.9648 -1.7022 -1.7022 -0.5838 -0.5838 0.3080 0.3080 1.3133 1.3133 1.3493 1.3493 1.3546 1.3546 1.4128 1.4128 1.8380 1.8380 1.8380 1.8380 1.8478 1.8478 1.8686 1.8686 3.7071 3.7071 5.0024 5.0024 6.3497 6.3497 6.3555 6.3555 7.1757 7.1757 k = 0.0000 0.0000 0.0000 ( 21935 PWs) bands (ev): -42.4984 -42.4984 -42.4903 -42.4903 -42.4903 -42.4903 -41.8270 -41.8270 -41.7832 -41.7832 -41.7832 -41.7832 -41.4610 -41.4610 -41.4607 -41.4607 -41.4607 -41.4607 -41.3335 -41.3335 -13.1766 -13.1766 -8.7958 -8.7958 -8.7926 -8.7926 -8.7926 -8.7926 -1.9648 -1.9648 -1.7022 -1.7022 -0.5838 -0.5838 0.3080 0.3080 1.3133 1.3133 1.3493 1.3493 1.3546 1.3546 1.4128 1.4128 1.8380 1.8380 1.8380 1.8380 1.8478 1.8478 1.8686 1.8686 3.7071 3.7071 5.0024 5.0024 6.3497 6.3497 6.3555 6.3555 7.1757 7.1757 k = 0.0000 0.0000 0.0234 ( 21953 PWs) bands (ev): -42.4984 -42.4984 -42.4903 -42.4903 -42.4903 -42.4903 -41.8270 -41.8270 -41.7832 -41.7832 -41.7832 -41.7832 -41.4610 -41.4610 -41.4607 -41.4607 -41.4607 -41.4607 -41.3335 -41.3335 -13.1763 -13.1763 -8.7959 -8.7959 -8.7927 -8.7927 -8.7927 -8.7927 -1.9643 -1.9643 -1.7015 -1.7015 -0.5876 -0.5876 0.3090 0.3090 1.3128 1.3128 1.3476 1.3476 1.3549 1.3550 1.4133 1.4133 1.8375 1.8375 1.8377 1.8379 1.8486 1.8486 1.8688 1.8691 3.7118 3.7118 5.0063 5.0063 6.3510 6.3510 6.3568 6.3568 7.1683 7.1683 k = 0.0000 0.0000 0.0468 ( 21947 PWs) bands (ev): -42.4984 -42.4984 -42.4903 -42.4903 -42.4903 -42.4903 -41.8270 -41.8270 -41.7832 -41.7832 -41.7832 -41.7832 -41.4610 -41.4610 -41.4607 -41.4607 -41.4607 -41.4607 -41.3335 -41.3335 -13.1755 -13.1755 -8.7962 -8.7962 -8.7932 -8.7932 -8.7932 -8.7932 -1.9629 -1.9629 -1.6997 -1.6997 -0.5991 -0.5991 0.3118 0.3118 1.3109 1.3109 1.3430 1.3430 1.3559 1.3561 1.4145 1.4145 1.8362 1.8362 1.8372 1.8376 1.8505 1.8505 1.8696 1.8702 3.7258 3.7258 5.0180 5.0180 6.3548 6.3548 6.3606 6.3607 7.1460 7.1460 k = 0.0000 0.0000 0.0702 ( 21971 PWs) bands (ev): -42.4984 -42.4984 -42.4903 -42.4903 -42.4903 -42.4903 -41.8270 -41.8270 -41.7832 -41.7832 -41.7832 -41.7832 -41.4610 -41.4610 -41.4607 -41.4607 -41.4607 -41.4607 -41.3335 -41.3335 -13.1742 -13.1742 -8.7968 -8.7968 -8.7940 -8.7940 -8.7940 -8.7940 -1.9605 -1.9605 -1.6967 -1.6967 -0.6179 -0.6179 0.3165 0.3165 1.3054 1.3054 1.3380 1.3380 1.3576 1.3579 1.4166 1.4166 1.8348 1.8348 1.8366 1.8371 1.8531 1.8531 1.8712 1.8720 3.7487 3.7487 5.0374 5.0374 6.3612 6.3612 6.3669 6.3670 7.1095 7.1095 k = 0.0000 0.0000 0.0935 ( 21941 PWs) bands (ev): -42.4984 -42.4984 -42.4903 -42.4903 -42.4903 -42.4903 -41.8270 -41.8270 -41.7831 -41.7831 -41.7831 -41.7831 -41.4610 -41.4610 -41.4607 -41.4607 -41.4607 -41.4607 -41.3335 -41.3335 -13.1723 -13.1723 -8.7975 -8.7975 -8.7951 -8.7951 -8.7951 -8.7951 -1.9571 -1.9571 -1.6925 -1.6925 -0.6438 -0.6438 0.3231 0.3231 1.2937 1.2937 1.3355 1.3355 1.3600 1.3604 1.4194 1.4194 1.8333 1.8333 1.8358 1.8364 1.8561 1.8561 1.8732 1.8743 3.7803 3.7803 5.0640 5.0640 6.3700 6.3700 6.3757 6.3759 7.0596 7.0596 k = 0.0000 0.0000 0.1169 ( 21941 PWs) bands (ev): -42.4984 -42.4984 -42.4902 -42.4902 -42.4902 -42.4902 -41.8269 -41.8269 -41.7831 -41.7831 -41.7831 -41.7831 -41.4610 -41.4610 -41.4607 -41.4607 -41.4607 -41.4607 -41.3335 -41.3335 -13.1699 -13.1699 -8.7985 -8.7985 -8.7965 -8.7965 -8.7965 -8.7965 -1.9529 -1.9529 -1.6871 -1.6871 -0.6764 -0.6764 0.3315 0.3315 1.2756 1.2756 1.3360 1.3360 1.3631 1.3636 1.4231 1.4231 1.8319 1.8319 1.8349 1.8357 1.8594 1.8594 1.8758 1.8770 3.8198 3.8198 5.0975 5.0975 6.3813 6.3813 6.3870 6.3872 6.9974 6.9974 k = 0.0000 0.0000 0.1403 ( 21941 PWs) bands (ev): -42.4984 -42.4984 -42.4902 -42.4902 -42.4902 -42.4902 -41.8269 -41.8269 -41.7831 -41.7831 -41.7831 -41.7831 -41.4610 -41.4610 -41.4607 -41.4607 -41.4607 -41.4607 -41.3336 -41.3336 -13.1670 -13.1670 -8.7997 -8.7997 -8.7982 -8.7982 -8.7982 -8.7982 -1.9478 -1.9478 -1.6805 -1.6805 -0.7151 -0.7151 0.3417 0.3417 1.2527 1.2527 1.3385 1.3385 1.3669 1.3674 1.4275 1.4275 1.8307 1.8307 1.8341 1.8349 1.8631 1.8631 1.8787 1.8801 3.8666 3.8666 5.1375 5.1375 6.3949 6.3949 6.4006 6.4009 6.9246 6.9246 k = 0.0000 0.0000 0.1637 ( 21953 PWs) bands (ev): -42.4984 -42.4984 -42.4902 -42.4902 -42.4902 -42.4902 -41.8269 -41.8269 -41.7831 -41.7831 -41.7831 -41.7831 -41.4610 -41.4610 -41.4607 -41.4607 -41.4607 -41.4607 -41.3336 -41.3336 -13.1637 -13.1637 -8.8011 -8.8011 -8.8002 -8.8002 -8.8002 -8.8002 -1.9419 -1.9419 -1.6728 -1.6728 -0.7595 -0.7595 0.3537 0.3537 1.2262 1.2262 1.3422 1.3422 1.3712 1.3718 1.4327 1.4327 1.8297 1.8297 1.8334 1.8342 1.8669 1.8669 1.8820 1.8835 3.9200 3.9200 5.1833 5.1833 6.4109 6.4109 6.4166 6.4170 6.8427 6.8427 k = 0.0000 0.0000 0.1871 ( 21917 PWs) bands (ev): -42.4983 -42.4983 -42.4902 -42.4902 -42.4902 -42.4902 -41.8268 -41.8268 -41.7831 -41.7831 -41.7831 -41.7831 -41.4610 -41.4610 -41.4607 -41.4607 -41.4607 -41.4607 -41.3336 -41.3336 -13.1598 -13.1598 -8.8027 -8.8027 -8.8024 -8.8024 -8.8024 -8.8024 -1.9353 -1.9353 -1.6639 -1.6639 -0.8089 -0.8089 0.3674 0.3674 1.1967 1.1967 1.3468 1.3468 1.3762 1.3769 1.4387 1.4387 1.8288 1.8288 1.8327 1.8335 1.8710 1.8710 1.8856 1.8871 3.9794 3.9794 5.2341 5.2341 6.4291 6.4291 6.4348 6.4352 6.7537 6.7537 k = 0.0000 0.0000 0.2105 ( 21917 PWs) bands (ev): -42.4983 -42.4983 -42.4902 -42.4902 -42.4902 -42.4902 -41.8267 -41.8267 -41.7830 -41.7830 -41.7830 -41.7830 -41.4610 -41.4610 -41.4607 -41.4607 -41.4607 -41.4607 -41.3336 -41.3336 -13.1555 -13.1555 -8.8049 -8.8049 -8.8049 -8.8049 -8.8045 -8.8045 -1.9280 -1.9280 -1.6540 -1.6540 -0.8626 -0.8626 0.3829 0.3829 1.1651 1.1651 1.3522 1.3522 1.3817 1.3824 1.4453 1.4453 1.8282 1.8282 1.8321 1.8330 1.8752 1.8752 1.8893 1.8910 4.0440 4.0440 5.2891 5.2891 6.4494 6.4494 6.4550 6.4555 6.6594 6.6594 k = 0.0000 0.0000 0.2339 ( 21935 PWs) bands (ev): -42.4983 -42.4983 -42.4902 -42.4902 -42.4902 -42.4902 -41.8267 -41.8267 -41.7830 -41.7830 -41.7830 -41.7830 -41.4611 -41.4611 -41.4607 -41.4607 -41.4607 -41.4607 -41.3336 -41.3336 -13.1508 -13.1508 -8.8076 -8.8076 -8.8076 -8.8076 -8.8064 -8.8064 -1.9202 -1.9202 -1.6430 -1.6430 -0.9199 -0.9199 0.4000 0.4000 1.1317 1.1317 1.3583 1.3583 1.3876 1.3885 1.4526 1.4526 1.8277 1.8277 1.8316 1.8325 1.8797 1.8797 1.8933 1.8951 4.1131 4.1131 5.3472 5.3472 6.4716 6.4716 6.4773 6.4778 6.5617 6.5617 k = 0.0000 0.0000 0.2572 ( 21917 PWs) bands (ev): -42.4983 -42.4983 -42.4902 -42.4902 -42.4902 -42.4902 -41.8266 -41.8266 -41.7830 -41.7830 -41.7830 -41.7830 -41.4611 -41.4611 -41.4607 -41.4607 -41.4607 -41.4607 -41.3336 -41.3336 -13.1457 -13.1457 -8.8106 -8.8106 -8.8106 -8.8106 -8.8085 -8.8085 -1.9119 -1.9119 -1.6311 -1.6311 -0.9802 -0.9802 0.4187 0.4187 1.0970 1.0970 1.3649 1.3649 1.3941 1.3949 1.4606 1.4606 1.8274 1.8274 1.8313 1.8322 1.8842 1.8842 1.8975 1.8994 4.1860 4.1860 5.4071 5.4071 6.4625 6.4625 6.4960 6.4960 6.5014 6.5020 k = 0.0000 0.0000 0.2806 ( 21929 PWs) bands (ev): -42.4983 -42.4983 -42.4902 -42.4902 -42.4902 -42.4902 -41.8265 -41.8265 -41.7830 -41.7830 -41.7830 -41.7830 -41.4611 -41.4611 -41.4607 -41.4607 -41.4607 -41.4607 -41.3337 -41.3337 -13.1402 -13.1402 -8.8138 -8.8138 -8.8138 -8.8138 -8.8108 -8.8108 -1.9035 -1.9035 -1.6181 -1.6181 -1.0426 -1.0426 0.4391 0.4391 1.0615 1.0615 1.3720 1.3720 1.4009 1.4018 1.4691 1.4691 1.8273 1.8273 1.8311 1.8320 1.8890 1.8890 1.9018 1.9037 4.2621 4.2621 5.4669 5.4669 6.3650 6.3650 6.5216 6.5216 6.5271 6.5278 k = 0.0000 0.0000 0.3040 ( 21917 PWs) bands (ev): -42.4982 -42.4982 -42.4902 -42.4902 -42.4902 -42.4902 -41.8265 -41.8265 -41.7829 -41.7829 -41.7829 -41.7829 -41.4611 -41.4611 -41.4607 -41.4607 -41.4607 -41.4607 -41.3337 -41.3337 -13.1343 -13.1343 -8.8171 -8.8171 -8.8171 -8.8171 -8.8132 -8.8132 -1.8950 -1.8950 -1.6043 -1.6043 -1.1065 -1.1065 0.4610 0.4610 1.0254 1.0254 1.3794 1.3794 1.4080 1.4090 1.4783 1.4783 1.8274 1.8274 1.8310 1.8319 1.8938 1.8938 1.9063 1.9082 4.3406 4.3406 5.5236 5.5236 6.2723 6.2723 6.5488 6.5488 6.5543 6.5551 k = 0.0000 0.0000 0.3274 ( 21917 PWs) bands (ev): -42.4982 -42.4982 -42.4902 -42.4902 -42.4902 -42.4902 -41.8264 -41.8264 -41.7829 -41.7829 -41.7829 -41.7829 -41.4611 -41.4611 -41.4607 -41.4607 -41.4607 -41.4607 -41.3337 -41.3337 -13.1282 -13.1282 -8.8207 -8.8207 -8.8207 -8.8207 -8.8157 -8.8157 -1.8869 -1.8869 -1.5896 -1.5896 -1.1710 -1.1710 0.4845 0.4845 0.9891 0.9891 1.3873 1.3873 1.4154 1.4164 1.4879 1.4879 1.8276 1.8276 1.8310 1.8320 1.8987 1.8987 1.9108 1.9128 4.4209 4.4209 5.5721 5.5721 6.1900 6.1900 6.5773 6.5773 6.5827 6.5835 k = 0.0000 0.0000 0.3508 ( 21935 PWs) bands (ev): -42.4982 -42.4982 -42.4901 -42.4901 -42.4901 -42.4901 -41.8263 -41.8263 -41.7829 -41.7829 -41.7829 -41.7829 -41.4612 -41.4612 -41.4607 -41.4607 -41.4607 -41.4607 -41.3337 -41.3337 -13.1217 -13.1217 -8.8243 -8.8243 -8.8243 -8.8243 -8.8183 -8.8183 -1.8795 -1.8795 -1.5741 -1.5741 -1.2352 -1.2352 0.5094 0.5094 0.9528 0.9528 1.3953 1.3953 1.4229 1.4240 1.4980 1.4980 1.8280 1.8280 1.8312 1.8322 1.9037 1.9037 1.9154 1.9175 4.5019 4.5019 5.6039 5.6039 6.1274 6.1274 6.6068 6.6068 6.6121 6.6129 k = 0.0000 0.0000 0.3742 ( 21917 PWs) bands (ev): -42.4982 -42.4982 -42.4901 -42.4901 -42.4901 -42.4901 -41.8262 -41.8262 -41.7828 -41.7828 -41.7828 -41.7828 -41.4612 -41.4612 -41.4607 -41.4607 -41.4607 -41.4607 -41.3337 -41.3337 -13.1150 -13.1150 -8.8281 -8.8281 -8.8281 -8.8281 -8.8210 -8.8210 -1.8735 -1.8735 -1.5579 -1.5579 -1.2980 -1.2980 0.5358 0.5358 0.9167 0.9167 1.4036 1.4036 1.4306 1.4316 1.5085 1.5085 1.8286 1.8286 1.8315 1.8325 1.9088 1.9088 1.9200 1.9222 4.5826 4.5826 5.6082 5.6082 6.0962 6.0962 6.6369 6.6369 6.6419 6.6428 k = 0.0000 0.0000 0.3976 ( 21894 PWs) bands (ev): -42.4982 -42.4982 -42.4901 -42.4901 -42.4901 -42.4901 -41.8261 -41.8261 -41.7828 -41.7828 -41.7828 -41.7828 -41.4612 -41.4612 -41.4607 -41.4607 -41.4607 -41.4607 -41.3338 -41.3338 -13.1081 -13.1081 -8.8320 -8.8320 -8.8320 -8.8320 -8.8238 -8.8238 -1.8698 -1.8698 -1.5410 -1.5410 -1.3582 -1.3582 0.5635 0.5635 0.8811 0.8811 1.4120 1.4120 1.4382 1.4393 1.5193 1.5193 1.8293 1.8293 1.8319 1.8330 1.9139 1.9139 1.9247 1.9269 4.6612 4.6612 5.5806 5.5806 6.1023 6.1023 6.6672 6.6672 6.6719 6.6728 k = 0.0000 0.0000 0.4209 ( 21924 PWs) bands (ev): -42.4981 -42.4981 -42.4901 -42.4901 -42.4901 -42.4901 -41.8260 -41.8260 -41.7828 -41.7828 -41.7828 -41.7828 -41.4612 -41.4612 -41.4607 -41.4607 -41.4607 -41.4607 -41.3338 -41.3338 -13.1010 -13.1010 -8.8360 -8.8360 -8.8360 -8.8360 -8.8266 -8.8266 -1.8696 -1.8696 -1.5235 -1.5235 -1.4142 -1.4142 0.5925 0.5925 0.8462 0.8462 1.4204 1.4204 1.4458 1.4469 1.5305 1.5305 1.8301 1.8301 1.8324 1.8336 1.9191 1.9191 1.9294 1.9316 4.7350 4.7350 5.5307 5.5307 6.1386 6.1386 6.6972 6.6972 6.7012 6.7021 k = 0.0000 0.0000 0.4443 ( 21930 PWs) bands (ev): -42.4981 -42.4981 -42.4901 -42.4901 -42.4901 -42.4901 -41.8260 -41.8260 -41.7827 -41.7827 -41.7827 -41.7827 -41.4613 -41.4613 -41.4607 -41.4607 -41.4607 -41.4607 -41.3338 -41.3338 -13.0938 -13.0938 -8.8400 -8.8400 -8.8400 -8.8400 -8.8295 -8.8295 -1.8745 -1.8745 -1.5056 -1.5056 -1.4640 -1.4640 0.6227 0.6227 0.8120 0.8120 1.4287 1.4287 1.4532 1.4543 1.5419 1.5419 1.8311 1.8311 1.8331 1.8343 1.9243 1.9243 1.9340 1.9364 4.7992 4.7992 5.4744 5.4744 6.1938 6.1938 6.7257 6.7257 6.7285 6.7293 k = 0.0000 0.0000 0.4677 ( 21948 PWs) bands (ev): -42.4981 -42.4981 -42.4901 -42.4901 -42.4901 -42.4901 -41.8259 -41.8259 -41.7827 -41.7827 -41.7827 -41.7827 -41.4613 -41.4613 -41.4607 -41.4607 -41.4607 -41.4607 -41.3338 -41.3338 -13.0865 -13.0865 -8.8441 -8.8441 -8.8441 -8.8441 -8.8324 -8.8324 -1.8864 -1.8864 -1.5056 -1.5056 -1.4872 -1.4872 0.6540 0.6540 0.7787 0.7787 1.4369 1.4369 1.4604 1.4615 1.5534 1.5534 1.8323 1.8323 1.8340 1.8352 1.9294 1.9294 1.9387 1.9411 4.8460 4.8460 5.4277 5.4277 6.2595 6.2595 6.7493 6.7493 6.7497 6.7503 k = 0.0000 0.0000 0.4911 ( 21942 PWs) bands (ev): -42.4981 -42.4981 -42.4901 -42.4901 -42.4901 -42.4901 -41.8258 -41.8258 -41.7827 -41.7827 -41.7827 -41.7827 -41.4613 -41.4613 -41.4607 -41.4607 -41.4607 -41.4607 -41.3339 -41.3339 -13.0792 -13.0792 -8.8482 -8.8482 -8.8482 -8.8481 -8.8354 -8.8354 -1.9067 -1.9067 -1.5371 -1.5371 -1.4686 -1.4685 0.6860 0.6860 0.7468 0.7468 1.4449 1.4449 1.4673 1.4684 1.5651 1.5651 1.8335 1.8335 1.8349 1.8362 1.9346 1.9346 1.9434 1.9458 4.8646 4.8646 5.4059 5.4059 6.3311 6.3311 6.7436 6.7436 6.7490 6.7492 k = 0.0000 0.0000 0.5145 ( 21966 PWs) bands (ev): -42.4981 -42.4981 -42.4901 -42.4901 -42.4901 -42.4901 -41.8257 -41.8257 -41.7826 -41.7826 -41.7826 -41.7826 -41.4613 -41.4613 -41.4607 -41.4607 -41.4607 -41.4607 -41.3339 -41.3339 -13.0718 -13.0718 -8.8522 -8.8522 -8.8522 -8.8522 -8.8383 -8.8383 -1.9359 -1.9359 -1.5580 -1.5580 -1.4497 -1.4497 0.7101 0.7101 0.7247 0.7247 1.4526 1.4526 1.4738 1.4748 1.5768 1.5768 1.8349 1.8349 1.8360 1.8374 1.9397 1.9397 1.9480 1.9505 4.8482 4.8482 5.4180 5.4180 6.4056 6.4056 6.6826 6.6826 6.7038 6.7042 k = 0.0000 0.0000 0.5379 ( 21948 PWs) bands (ev): -42.4980 -42.4980 -42.4900 -42.4900 -42.4900 -42.4900 -41.8256 -41.8256 -41.7826 -41.7826 -41.7826 -41.7826 -41.4614 -41.4614 -41.4607 -41.4607 -41.4607 -41.4607 -41.3339 -41.3339 -13.0645 -13.0645 -8.8562 -8.8562 -8.8562 -8.8562 -8.8412 -8.8412 -1.9726 -1.9726 -1.5694 -1.5694 -1.4307 -1.4307 0.6841 0.6841 0.7548 0.7548 1.4599 1.4599 1.4798 1.4807 1.5885 1.5885 1.8364 1.8364 1.8372 1.8386 1.9447 1.9447 1.9526 1.9551 4.8015 4.8015 5.4606 5.4606 6.4798 6.4798 6.6136 6.6136 6.6392 6.6395 k = 0.0000 0.0000 0.5613 ( 21948 PWs) bands (ev): -42.4980 -42.4980 -42.4900 -42.4900 -42.4900 -42.4900 -41.8255 -41.8255 -41.7826 -41.7826 -41.7826 -41.7826 -41.4614 -41.4614 -41.4607 -41.4607 -41.4607 -41.4607 -41.3339 -41.3339 -13.0572 -13.0572 -8.8601 -8.8601 -8.8601 -8.8601 -8.8440 -8.8440 -2.0147 -2.0147 -1.5732 -1.5732 -1.4117 -1.4117 0.6556 0.6556 0.7892 0.7892 1.4668 1.4668 1.4852 1.4861 1.6001 1.6001 1.8380 1.8380 1.8385 1.8400 1.9498 1.9498 1.9572 1.9597 4.7356 4.7356 5.5235 5.5235 6.5191 6.5191 6.5730 6.5732 6.5824 6.5824 k = 0.0000 0.0000 0.5846 ( 21936 PWs) bands (ev): -42.4980 -42.4980 -42.4900 -42.4900 -42.4900 -42.4900 -41.8254 -41.8254 -41.7825 -41.7825 -41.7825 -41.7825 -41.4614 -41.4614 -41.4607 -41.4607 -41.4607 -41.4607 -41.3340 -41.3340 -13.0501 -13.0501 -8.8640 -8.8640 -8.8640 -8.8640 -8.8468 -8.8468 -2.0599 -2.0599 -1.5717 -1.5717 -1.3928 -1.3928 0.6284 0.6284 0.8243 0.8243 1.4731 1.4731 1.4901 1.4909 1.6115 1.6115 1.8397 1.8397 1.8400 1.8415 1.9547 1.9547 1.9617 1.9642 4.6597 4.6597 5.5980 5.5980 6.4652 6.4652 6.5093 6.5095 6.6484 6.6484 k = 0.0000 0.0000 0.6080 ( 21936 PWs) bands (ev): -42.4980 -42.4980 -42.4900 -42.4900 -42.4900 -42.4900 -41.8253 -41.8253 -41.7825 -41.7825 -41.7825 -41.7825 -41.4614 -41.4614 -41.4607 -41.4607 -41.4607 -41.4607 -41.3340 -41.3340 -13.0432 -13.0432 -8.8677 -8.8677 -8.8677 -8.8677 -8.8495 -8.8495 -2.1065 -2.1065 -1.5664 -1.5664 -1.3742 -1.3742 0.6024 0.6024 0.8597 0.8597 1.4790 1.4790 1.4943 1.4951 1.6227 1.6227 1.8415 1.8415 1.8415 1.8431 1.9596 1.9596 1.9662 1.9686 4.5792 4.5792 5.6786 5.6786 6.4041 6.4041 6.4493 6.4494 6.7256 6.7256 k = 0.0000 0.0000 0.6314 ( 21918 PWs) bands (ev): -42.4980 -42.4980 -42.4900 -42.4900 -42.4900 -42.4900 -41.8252 -41.8252 -41.7825 -41.7825 -41.7825 -41.7825 -41.4615 -41.4615 -41.4607 -41.4607 -41.4607 -41.4607 -41.3340 -41.3340 -13.0364 -13.0364 -8.8714 -8.8714 -8.8714 -8.8714 -8.8522 -8.8522 -2.1530 -2.1530 -1.5587 -1.5587 -1.3560 -1.3559 0.5780 0.5780 0.8952 0.8952 1.4843 1.4843 1.4979 1.4986 1.6335 1.6335 1.8431 1.8433 1.8433 1.8448 1.9643 1.9643 1.9706 1.9730 4.4975 4.4975 5.7624 5.7624 6.3460 6.3460 6.3933 6.3934 6.8029 6.8029 k = 0.0000 0.0000 0.6548 ( 21930 PWs) bands (ev): -42.4979 -42.4979 -42.4900 -42.4900 -42.4900 -42.4900 -41.8251 -41.8251 -41.7824 -41.7824 -41.7824 -41.7824 -41.4615 -41.4615 -41.4607 -41.4607 -41.4607 -41.4607 -41.3340 -41.3340 -13.0300 -13.0300 -8.8748 -8.8748 -8.8748 -8.8748 -8.8547 -8.8547 -2.1985 -2.1985 -1.5494 -1.5494 -1.3382 -1.3382 0.5550 0.5550 0.9305 0.9305 1.4890 1.4890 1.5009 1.5015 1.6440 1.6440 1.8448 1.8451 1.8451 1.8465 1.9690 1.9690 1.9749 1.9772 4.4165 4.4165 5.8474 5.8474 6.2920 6.2920 6.3416 6.3417 6.8732 6.8732 k = 0.0000 0.0000 0.6782 ( 21900 PWs) bands (ev): -42.4979 -42.4979 -42.4899 -42.4899 -42.4899 -42.4899 -41.8251 -41.8251 -41.7824 -41.7824 -41.7824 -41.7824 -41.4615 -41.4615 -41.4607 -41.4607 -41.4607 -41.4607 -41.3340 -41.3340 -13.0238 -13.0238 -8.8781 -8.8781 -8.8781 -8.8781 -8.8571 -8.8571 -2.2422 -2.2422 -1.5393 -1.5393 -1.3211 -1.3210 0.5336 0.5336 0.9654 0.9654 1.4931 1.4931 1.5032 1.5037 1.6541 1.6541 1.8465 1.8470 1.8470 1.8482 1.9735 1.9735 1.9791 1.9813 4.3377 4.3377 5.9320 5.9320 6.2423 6.2423 6.2943 6.2943 6.8942 6.8942 k = 0.0000 0.0000 0.7016 ( 21900 PWs) bands (ev): -42.4979 -42.4979 -42.4899 -42.4899 -42.4899 -42.4899 -41.8250 -41.8250 -41.7824 -41.7824 -41.7824 -41.7824 -41.4615 -41.4615 -41.4607 -41.4607 -41.4607 -41.4607 -41.3341 -41.3341 -13.0179 -13.0179 -8.8812 -8.8812 -8.8812 -8.8812 -8.8593 -8.8593 -2.2836 -2.2836 -1.5289 -1.5289 -1.3047 -1.3047 0.5137 0.5137 0.9995 0.9995 1.4966 1.4966 1.5049 1.5054 1.6636 1.6636 1.8482 1.8488 1.8488 1.8499 1.9778 1.9778 1.9832 1.9853 4.2619 4.2619 6.0152 6.0152 6.1972 6.1972 6.2513 6.2513 6.8901 6.8901 k = 0.0000 0.0000 0.7250 ( 21906 PWs) bands (ev): -42.4979 -42.4979 -42.4899 -42.4899 -42.4899 -42.4899 -41.8249 -41.8249 -41.7823 -41.7823 -41.7823 -41.7823 -41.4615 -41.4615 -41.4607 -41.4607 -41.4607 -41.4607 -41.3341 -41.3341 -13.0124 -13.0124 -8.8841 -8.8841 -8.8841 -8.8841 -8.8615 -8.8615 -2.3223 -2.3223 -1.5184 -1.5184 -1.2892 -1.2892 0.4955 0.4955 1.0326 1.0326 1.4996 1.4996 1.5061 1.5065 1.6725 1.6725 1.8499 1.8505 1.8505 1.8515 1.9820 1.9820 1.9871 1.9891 4.1900 4.1900 6.0943 6.0943 6.1584 6.1584 6.2126 6.2127 6.8806 6.8806 k = 0.0000 0.0000 0.7483 ( 21912 PWs) bands (ev): -42.4979 -42.4979 -42.4899 -42.4899 -42.4899 -42.4899 -41.8249 -41.8249 -41.7823 -41.7823 -41.7823 -41.7823 -41.4615 -41.4615 -41.4607 -41.4607 -41.4607 -41.4607 -41.3341 -41.3341 -13.0073 -13.0073 -8.8868 -8.8868 -8.8868 -8.8868 -8.8634 -8.8634 -2.3581 -2.3581 -1.5083 -1.5083 -1.2747 -1.2747 0.4790 0.4790 1.0643 1.0643 1.5021 1.5021 1.5069 1.5072 1.6808 1.6808 1.8516 1.8522 1.8522 1.8531 1.9859 1.9859 1.9908 1.9927 4.1226 4.1226 6.1138 6.1138 6.1782 6.1782 6.1803 6.1803 6.8680 6.8680 k = 0.0000 0.0000 0.7717 ( 21912 PWs) bands (ev): -42.4978 -42.4978 -42.4899 -42.4899 -42.4899 -42.4899 -41.8248 -41.8248 -41.7823 -41.7823 -41.7823 -41.7823 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3341 -41.3341 -13.0027 -13.0027 -8.8892 -8.8892 -8.8892 -8.8892 -8.8652 -8.8652 -2.3906 -2.3906 -1.4986 -1.4986 -1.2613 -1.2613 0.4641 0.4641 1.0942 1.0942 1.5041 1.5041 1.5072 1.5075 1.6884 1.6884 1.8532 1.8538 1.8538 1.8546 1.9895 1.9895 1.9943 1.9960 4.0604 4.0604 6.0832 6.0832 6.1479 6.1480 6.2528 6.2528 6.8537 6.8537 k = 0.0000 0.0000 0.7951 ( 21900 PWs) bands (ev): -42.4978 -42.4978 -42.4899 -42.4899 -42.4899 -42.4899 -41.8248 -41.8248 -41.7823 -41.7823 -41.7823 -41.7823 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3341 -41.3341 -12.9985 -12.9985 -8.8914 -8.8914 -8.8914 -8.8914 -8.8668 -8.8668 -2.4196 -2.4196 -1.4897 -1.4897 -1.2492 -1.2492 0.4510 0.4510 1.1219 1.1219 1.5057 1.5057 1.5072 1.5075 1.6952 1.6952 1.8546 1.8552 1.8552 1.8559 1.9928 1.9928 1.9975 1.9991 4.0038 4.0038 6.0550 6.0550 6.1217 6.1217 6.3222 6.3222 6.8386 6.8386 k = 0.0000 0.0000 0.8185 ( 21906 PWs) bands (ev): -42.4978 -42.4978 -42.4899 -42.4899 -42.4899 -42.4899 -41.8247 -41.8247 -41.7823 -41.7823 -41.7823 -41.7823 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3341 -41.3341 -12.9948 -12.9948 -8.8933 -8.8933 -8.8933 -8.8933 -8.8682 -8.8682 -2.4451 -2.4451 -1.4816 -1.4816 -1.2385 -1.2385 0.4395 0.4395 1.1470 1.1470 1.5070 1.5070 1.5070 1.5072 1.7012 1.7012 1.8560 1.8565 1.8565 1.8571 1.9958 1.9958 2.0004 2.0018 3.9535 3.9535 6.0306 6.0306 6.0993 6.0994 6.3861 6.3861 6.8238 6.8238 k = 0.0000 0.0000 0.8419 ( 21918 PWs) bands (ev): -42.4978 -42.4978 -42.4899 -42.4899 -42.4899 -42.4899 -41.8247 -41.8247 -41.7822 -41.7822 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9917 -12.9917 -8.8949 -8.8949 -8.8949 -8.8949 -8.8694 -8.8694 -2.4668 -2.4668 -1.4746 -1.4746 -1.2292 -1.2292 0.4298 0.4298 1.1691 1.1691 1.5067 1.5068 1.5079 1.5079 1.7064 1.7064 1.8572 1.8576 1.8576 1.8581 1.9984 1.9984 2.0030 2.0041 3.9099 3.9099 6.0101 6.0101 6.0807 6.0807 6.4431 6.4431 6.8099 6.8099 k = 0.0000 0.0000 0.8653 ( 21924 PWs) bands (ev): -42.4978 -42.4978 -42.4899 -42.4899 -42.4899 -42.4899 -41.8246 -41.8246 -41.7822 -41.7822 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9891 -12.9891 -8.8963 -8.8963 -8.8963 -8.8963 -8.8704 -8.8704 -2.4847 -2.4847 -1.4687 -1.4687 -1.2215 -1.2215 0.4218 0.4218 1.1879 1.1879 1.5063 1.5064 1.5086 1.5086 1.7107 1.7107 1.8582 1.8586 1.8586 1.8590 2.0006 2.0006 2.0052 2.0061 3.8735 3.8735 5.9934 5.9934 6.0657 6.0657 6.4921 6.4921 6.7976 6.7976 k = 0.0000 0.0000 0.8887 ( 21960 PWs) bands (ev): -42.4978 -42.4978 -42.4899 -42.4899 -42.4899 -42.4899 -41.8246 -41.8246 -41.7822 -41.7822 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9870 -12.9870 -8.8973 -8.8973 -8.8973 -8.8973 -8.8712 -8.8712 -2.4987 -2.4987 -1.4640 -1.4640 -1.2154 -1.2154 0.4156 0.4156 1.2029 1.2029 1.5059 1.5060 1.5091 1.5091 1.7140 1.7140 1.8590 1.8593 1.8593 1.8596 2.0023 2.0023 2.0069 2.0076 3.8447 3.8447 5.9805 5.9805 6.0542 6.0542 6.5318 6.5318 6.7876 6.7876 k = 0.0000 0.0000 0.9120 ( 21948 PWs) bands (ev): -42.4978 -42.4978 -42.4899 -42.4899 -42.4899 -42.4899 -41.8246 -41.8246 -41.7822 -41.7822 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9856 -12.9856 -8.8981 -8.8981 -8.8981 -8.8981 -8.8717 -8.8717 -2.5088 -2.5088 -1.4606 -1.4606 -1.2111 -1.2111 0.4112 0.4112 1.2138 1.2138 1.5056 1.5056 1.5094 1.5094 1.7165 1.7165 1.8596 1.8598 1.8598 1.8600 2.0036 2.0036 2.0082 2.0087 3.8239 3.8239 5.9713 5.9713 6.0461 6.0461 6.5611 6.5611 6.7801 6.7801 k = 0.0000 0.0000 0.9354 ( 21924 PWs) bands (ev): -42.4978 -42.4978 -42.4899 -42.4899 -42.4899 -42.4899 -41.8246 -41.8246 -41.7822 -41.7822 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9847 -12.9847 -8.8986 -8.8986 -8.8986 -8.8986 -8.8721 -8.8721 -2.5148 -2.5148 -1.4586 -1.4586 -1.2084 -1.2084 0.4085 0.4085 1.2205 1.2205 1.5054 1.5054 1.5095 1.5095 1.7179 1.7179 1.8601 1.8602 1.8602 1.8603 2.0044 2.0044 2.0091 2.0093 3.8113 3.8113 5.9659 5.9659 6.0412 6.0412 6.5791 6.5791 6.7755 6.7756 k = 0.0000 0.0000 0.9588 ( 21924 PWs) bands (ev): -42.4978 -42.4978 -42.4899 -42.4899 -42.4899 -42.4899 -41.8246 -41.8246 -41.7822 -41.7822 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.8987 -8.8987 -8.8987 -8.8987 -8.8722 -8.8722 -2.5168 -2.5168 -1.4579 -1.4579 -1.2075 -1.2075 0.4077 0.4077 1.2228 1.2228 1.5053 1.5053 1.5096 1.5096 1.7184 1.7184 1.8603 1.8603 1.8603 1.8603 2.0046 2.0046 2.0095 2.0095 3.8071 3.8071 5.9640 5.9640 6.0396 6.0396 6.5851 6.5851 6.7740 6.7740 k = 0.0000 0.0000 0.9588 ( 21924 PWs) bands (ev): -42.4978 -42.4978 -42.4899 -42.4899 -42.4899 -42.4899 -41.8246 -41.8246 -41.7822 -41.7822 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.8987 -8.8987 -8.8987 -8.8987 -8.8722 -8.8722 -2.5168 -2.5168 -1.4579 -1.4579 -1.2075 -1.2075 0.4077 0.4077 1.2228 1.2228 1.5053 1.5053 1.5096 1.5096 1.7184 1.7184 1.8603 1.8603 1.8603 1.8603 2.0046 2.0046 2.0095 2.0095 3.8071 3.8071 5.9640 5.9640 6.0396 6.0396 6.5851 6.5851 6.7740 6.7740 k = 0.0200 0.0115 0.9588 ( 21956 PWs) bands (ev): -42.4978 -42.4978 -42.4899 -42.4899 -42.4899 -42.4899 -41.8246 -41.8246 -41.7822 -41.7822 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.8990 -8.8990 -8.8987 -8.8987 -8.8719 -8.8719 -2.5169 -2.5169 -1.4581 -1.4581 -1.2078 -1.2078 0.4094 0.4094 1.2230 1.2230 1.5055 1.5055 1.5099 1.5099 1.7179 1.7179 1.8581 1.8581 1.8607 1.8607 2.0047 2.0047 2.0097 2.0097 3.8105 3.8105 5.9596 5.9596 6.0352 6.0352 6.5877 6.5877 6.7686 6.7686 k = 0.0400 0.0231 0.9588 ( 21960 PWs) bands (ev): -42.4978 -42.4978 -42.4899 -42.4899 -42.4899 -42.4899 -41.8246 -41.8246 -41.7822 -41.7822 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.8997 -8.8997 -8.8987 -8.8987 -8.8712 -8.8712 -2.5172 -2.5172 -1.4589 -1.4589 -1.2088 -1.2088 0.4147 0.4147 1.2237 1.2237 1.5057 1.5057 1.5111 1.5111 1.7165 1.7165 1.8518 1.8518 1.8622 1.8622 2.0043 2.0043 2.0110 2.0110 3.8208 3.8208 5.9435 5.9435 6.0258 6.0258 6.5946 6.5946 6.7519 6.7519 k = 0.0600 0.0346 0.9588 ( 21950 PWs) bands (ev): -42.4978 -42.4978 -42.4899 -42.4899 -42.4899 -42.4899 -41.8246 -41.8246 -41.7822 -41.7822 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9007 -8.9007 -8.8987 -8.8987 -8.8701 -8.8701 -2.5177 -2.5177 -1.4601 -1.4601 -1.2104 -1.2104 0.4234 0.4234 1.2250 1.2250 1.5054 1.5054 1.5136 1.5136 1.7142 1.7142 1.8414 1.8414 1.8645 1.8645 2.0029 2.0029 2.0139 2.0139 3.8376 3.8376 5.9113 5.9113 6.0187 6.0187 6.6033 6.6033 6.7253 6.7253 k = 0.0800 0.0462 0.9588 ( 21934 PWs) bands (ev): -42.4977 -42.4977 -42.4899 -42.4899 -42.4899 -42.4899 -41.8246 -41.8246 -41.7822 -41.7822 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9021 -8.9021 -8.8987 -8.8987 -8.8687 -8.8687 -2.5184 -2.5184 -1.4618 -1.4618 -1.2125 -1.2125 0.4356 0.4356 1.2268 1.2268 1.5046 1.5046 1.5175 1.5175 1.7111 1.7111 1.8273 1.8273 1.8678 1.8678 2.0005 2.0005 2.0184 2.0184 3.8605 3.8605 5.8638 5.8638 6.0161 6.0161 6.6113 6.6113 6.6903 6.6903 k = 0.1000 0.0577 0.9588 ( 21930 PWs) bands (ev): -42.4977 -42.4977 -42.4899 -42.4899 -42.4899 -42.4899 -41.8246 -41.8246 -41.7822 -41.7822 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9037 -8.9037 -8.8987 -8.8987 -8.8670 -8.8670 -2.5192 -2.5192 -1.4639 -1.4639 -1.2152 -1.2152 0.4509 0.4509 1.2291 1.2291 1.5034 1.5034 1.5222 1.5222 1.7075 1.7075 1.8097 1.8097 1.8719 1.8719 1.9975 1.9975 2.0240 2.0240 3.8892 3.8892 5.8057 5.8057 6.0168 6.0168 6.6162 6.6162 6.6486 6.6486 k = 0.1200 0.0693 0.9588 ( 21916 PWs) bands (ev): -42.4977 -42.4977 -42.4900 -42.4900 -42.4899 -42.4899 -41.8246 -41.8246 -41.7822 -41.7822 -41.7821 -41.7821 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9054 -8.9054 -8.8987 -8.8987 -8.8653 -8.8653 -2.5202 -2.5202 -1.4665 -1.4665 -1.2183 -1.2183 0.4694 0.4694 1.2321 1.2321 1.5017 1.5017 1.5277 1.5277 1.7035 1.7035 1.7889 1.7889 1.8768 1.8768 1.9940 1.9940 2.0305 2.0305 3.9230 3.9230 5.7408 5.7408 6.0196 6.0196 6.5998 6.5998 6.6184 6.6184 k = 0.1400 0.0808 0.9588 ( 21914 PWs) bands (ev): -42.4977 -42.4977 -42.4900 -42.4900 -42.4899 -42.4899 -41.8247 -41.8247 -41.7822 -41.7822 -41.7821 -41.7821 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9072 -8.9072 -8.8987 -8.8987 -8.8634 -8.8634 -2.5213 -2.5213 -1.4694 -1.4694 -1.2217 -1.2217 0.4909 0.4909 1.2358 1.2358 1.4998 1.4998 1.5334 1.5334 1.6991 1.6991 1.7655 1.7655 1.8824 1.8824 1.9904 1.9904 2.0377 2.0377 3.9612 3.9612 5.6718 5.6718 6.0238 6.0238 6.5492 6.5492 6.6131 6.6131 k = 0.1600 0.0924 0.9588 ( 21916 PWs) bands (ev): -42.4976 -42.4976 -42.4900 -42.4900 -42.4899 -42.4899 -41.8247 -41.8247 -41.7822 -41.7822 -41.7821 -41.7821 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9090 -8.9090 -8.8987 -8.8987 -8.8615 -8.8615 -2.5226 -2.5226 -1.4726 -1.4726 -1.2254 -1.2254 0.5151 0.5151 1.2403 1.2403 1.4976 1.4976 1.5391 1.5391 1.6947 1.6947 1.7398 1.7398 1.8886 1.8886 1.9867 1.9867 2.0454 2.0454 4.0030 4.0030 5.6012 5.6012 6.0291 6.0291 6.4953 6.4953 6.6027 6.6027 k = 0.1800 0.1039 0.9588 ( 21932 PWs) bands (ev): -42.4976 -42.4976 -42.4901 -42.4901 -42.4899 -42.4899 -41.8247 -41.8247 -41.7822 -41.7822 -41.7821 -41.7821 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9108 -8.9108 -8.8987 -8.8987 -8.8596 -8.8596 -2.5239 -2.5239 -1.4762 -1.4762 -1.2294 -1.2294 0.5418 0.5418 1.2455 1.2455 1.4950 1.4950 1.5446 1.5446 1.6902 1.6902 1.7122 1.7122 1.8954 1.8954 1.9832 1.9832 2.0534 2.0534 4.0476 4.0476 5.5305 5.5305 6.0353 6.0353 6.4396 6.4396 6.5867 6.5867 k = 0.2000 0.1155 0.9588 ( 21932 PWs) bands (ev): -42.4975 -42.4975 -42.4901 -42.4901 -42.4899 -42.4899 -41.8247 -41.8247 -41.7822 -41.7822 -41.7821 -41.7821 -41.4615 -41.4615 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9126 -8.9126 -8.8987 -8.8987 -8.8577 -8.8577 -2.5254 -2.5254 -1.4799 -1.4799 -1.2334 -1.2334 0.5709 0.5709 1.2514 1.2514 1.4923 1.4923 1.5493 1.5493 1.6817 1.6817 1.6871 1.6871 1.9026 1.9026 1.9802 1.9802 2.0617 2.0617 4.0941 4.0941 5.4616 5.4616 6.0424 6.0424 6.3833 6.3833 6.5651 6.5651 k = 0.2200 0.1270 0.9588 ( 21916 PWs) bands (ev): -42.4975 -42.4975 -42.4902 -42.4902 -42.4899 -42.4899 -41.8248 -41.8248 -41.7822 -41.7822 -41.7820 -41.7820 -41.4615 -41.4615 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9144 -8.9144 -8.8987 -8.8987 -8.8558 -8.8558 -2.5269 -2.5269 -1.4838 -1.4838 -1.2375 -1.2375 0.6021 0.6021 1.2582 1.2582 1.4893 1.4893 1.5530 1.5530 1.6518 1.6518 1.6823 1.6823 1.9102 1.9102 1.9778 1.9778 2.0699 2.0699 4.1413 4.1413 5.3958 5.3958 6.0503 6.0503 6.3270 6.3270 6.5385 6.5385 k = 0.2400 0.1386 0.9588 ( 21920 PWs) bands (ev): -42.4974 -42.4974 -42.4902 -42.4902 -42.4899 -42.4899 -41.8248 -41.8248 -41.7822 -41.7822 -41.7820 -41.7820 -41.4615 -41.4615 -41.4608 -41.4608 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9161 -8.9161 -8.8987 -8.8987 -8.8541 -8.8541 -2.5284 -2.5284 -1.4878 -1.4878 -1.2415 -1.2415 0.6352 0.6352 1.2659 1.2659 1.4861 1.4861 1.5553 1.5553 1.6202 1.6202 1.6785 1.6785 1.9180 1.9180 1.9763 1.9763 2.0781 2.0781 4.1880 4.1880 5.3347 5.3347 6.0587 6.0587 6.2716 6.2716 6.5072 6.5072 k = 0.2600 0.1501 0.9588 ( 21924 PWs) bands (ev): -42.4974 -42.4974 -42.4903 -42.4903 -42.4899 -42.4899 -41.8248 -41.8248 -41.7822 -41.7822 -41.7820 -41.7820 -41.4615 -41.4615 -41.4608 -41.4608 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9177 -8.9177 -8.8987 -8.8987 -8.8523 -8.8523 -2.5299 -2.5299 -1.4919 -1.4919 -1.2455 -1.2455 0.6698 0.6698 1.2743 1.2743 1.4829 1.4829 1.5561 1.5561 1.5877 1.5877 1.6751 1.6751 1.9259 1.9259 1.9759 1.9759 2.0860 2.0860 4.2330 4.2330 5.2798 5.2798 6.0678 6.0678 6.2177 6.2177 6.4719 6.4719 k = 0.2800 0.1617 0.9588 ( 21920 PWs) bands (ev): -42.4973 -42.4973 -42.4903 -42.4903 -42.4899 -42.4899 -41.8249 -41.8249 -41.7822 -41.7822 -41.7820 -41.7820 -41.4615 -41.4615 -41.4608 -41.4608 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9192 -8.9192 -8.8987 -8.8987 -8.8507 -8.8507 -2.5314 -2.5314 -1.4959 -1.4959 -1.2493 -1.2493 0.7059 0.7059 1.2836 1.2836 1.4795 1.4795 1.5540 1.5540 1.5556 1.5556 1.6720 1.6720 1.9338 1.9338 1.9765 1.9765 2.0937 2.0937 4.2746 4.2746 5.2328 5.2328 6.0773 6.0773 6.1660 6.1660 6.4331 6.4331 k = 0.3000 0.1732 0.9588 ( 21914 PWs) bands (ev): -42.4973 -42.4973 -42.4904 -42.4904 -42.4899 -42.4899 -41.8249 -41.8249 -41.7822 -41.7822 -41.7819 -41.7819 -41.4615 -41.4615 -41.4608 -41.4608 -41.4606 -41.4606 -41.3342 -41.3342 -12.9844 -12.9844 -8.9206 -8.9206 -8.8987 -8.8987 -8.8492 -8.8492 -2.5329 -2.5329 -1.4999 -1.4999 -1.2529 -1.2529 0.7430 0.7430 1.2936 1.2936 1.4762 1.4762 1.5209 1.5209 1.5522 1.5522 1.6693 1.6693 1.9415 1.9415 1.9782 1.9782 2.1010 2.1010 4.3112 4.3112 5.1953 5.1953 6.0865 6.0865 6.1176 6.1176 6.3914 6.3914 k = 0.3200 0.1848 0.9588 ( 21926 PWs) bands (ev): -42.4972 -42.4972 -42.4904 -42.4904 -42.4899 -42.4899 -41.8249 -41.8249 -41.7822 -41.7822 -41.7819 -41.7819 -41.4614 -41.4614 -41.4608 -41.4608 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9219 -8.9219 -8.8987 -8.8987 -8.8478 -8.8478 -2.5343 -2.5343 -1.5036 -1.5036 -1.2563 -1.2563 0.7810 0.7810 1.3044 1.3044 1.4727 1.4727 1.4871 1.4871 1.5474 1.5474 1.6669 1.6669 1.9489 1.9489 1.9809 1.9809 2.1077 2.1077 4.3414 4.3414 5.1685 5.1685 6.0689 6.0689 6.0993 6.0993 6.3477 6.3477 k = 0.3400 0.1963 0.9588 ( 21928 PWs) bands (ev): -42.4972 -42.4972 -42.4905 -42.4905 -42.4899 -42.4899 -41.8249 -41.8249 -41.7822 -41.7822 -41.7819 -41.7819 -41.4614 -41.4614 -41.4609 -41.4609 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9231 -8.9231 -8.8987 -8.8987 -8.8466 -8.8466 -2.5357 -2.5357 -1.5072 -1.5072 -1.2594 -1.2594 0.8196 0.8196 1.3158 1.3158 1.4520 1.4520 1.4703 1.4703 1.5408 1.5408 1.6649 1.6649 1.9559 1.9559 1.9843 1.9843 2.1140 2.1140 4.3640 4.3640 5.1534 5.1534 6.0272 6.0272 6.1088 6.1088 6.3026 6.3026 k = 0.3600 0.2078 0.9588 ( 21922 PWs) bands (ev): -42.4971 -42.4971 -42.4905 -42.4905 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7819 -41.7819 -41.4614 -41.4614 -41.4609 -41.4609 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9241 -8.9241 -8.8987 -8.8987 -8.8454 -8.8454 -2.5369 -2.5369 -1.5105 -1.5105 -1.2622 -1.2622 0.8584 0.8584 1.3278 1.3278 1.4177 1.4177 1.4672 1.4672 1.5326 1.5326 1.6632 1.6632 1.9624 1.9624 1.9883 1.9883 2.1196 2.1196 4.3789 4.3789 5.1497 5.1497 5.9887 5.9887 6.1189 6.1189 6.2572 6.2572 k = 0.3800 0.2194 0.9588 ( 21936 PWs) bands (ev): -42.4971 -42.4971 -42.4905 -42.4905 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4614 -41.4614 -41.4609 -41.4609 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9250 -8.9250 -8.8987 -8.8987 -8.8444 -8.8444 -2.5380 -2.5380 -1.5135 -1.5135 -1.2647 -1.2647 0.8973 0.8973 1.3402 1.3402 1.3832 1.3832 1.4645 1.4645 1.5230 1.5230 1.6618 1.6618 1.9682 1.9682 1.9925 1.9925 2.1246 2.1246 4.3865 4.3865 5.1562 5.1562 5.9545 5.9545 6.1287 6.1287 6.2124 6.2124 k = 0.4000 0.2309 0.9588 ( 21926 PWs) bands (ev): -42.4971 -42.4971 -42.4906 -42.4906 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4614 -41.4614 -41.4609 -41.4609 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9258 -8.9258 -8.8987 -8.8987 -8.8436 -8.8436 -2.5390 -2.5390 -1.5160 -1.5160 -1.2668 -1.2668 0.9358 0.9358 1.3474 1.3474 1.3543 1.3543 1.4622 1.4622 1.5124 1.5124 1.6606 1.6606 1.9734 1.9734 1.9967 1.9967 2.1289 2.1289 4.3885 4.3885 5.1703 5.1703 5.9250 5.9250 6.1378 6.1378 6.1698 6.1698 k = 0.4200 0.2425 0.9588 ( 21920 PWs) bands (ev): -42.4970 -42.4970 -42.4906 -42.4906 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4609 -41.4609 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9265 -8.9265 -8.8987 -8.8987 -8.8429 -8.8429 -2.5398 -2.5398 -1.5182 -1.5182 -1.2685 -1.2685 0.9735 0.9735 1.3143 1.3143 1.3661 1.3661 1.4602 1.4602 1.5012 1.5012 1.6597 1.6597 1.9777 1.9777 2.0006 2.0006 2.1324 2.1324 4.3868 4.3868 5.1890 5.1890 5.9004 5.9004 6.1298 6.1298 6.1468 6.1468 k = 0.4400 0.2540 0.9588 ( 21920 PWs) bands (ev): -42.4970 -42.4970 -42.4906 -42.4906 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4609 -41.4609 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9270 -8.9270 -8.8987 -8.8987 -8.8423 -8.8423 -2.5404 -2.5404 -1.5200 -1.5200 -1.2699 -1.2699 1.0095 1.0095 1.2814 1.2814 1.3784 1.3784 1.4586 1.4586 1.4898 1.4898 1.6590 1.6590 1.9812 1.9812 2.0038 2.0038 2.1352 2.1352 4.3833 4.3833 5.2087 5.2087 5.8810 5.8810 6.0964 6.0964 6.1534 6.1534 k = 0.4600 0.2656 0.9588 ( 21904 PWs) bands (ev): -42.4970 -42.4970 -42.4906 -42.4906 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4606 -41.4606 -41.3342 -41.3342 -12.9844 -12.9844 -8.9274 -8.9274 -8.8987 -8.8987 -8.8419 -8.8419 -2.5409 -2.5409 -1.5212 -1.5212 -1.2709 -1.2709 1.0421 1.0421 1.2510 1.2510 1.3897 1.3897 1.4574 1.4574 1.4793 1.4793 1.6586 1.6586 1.9837 1.9837 2.0063 2.0063 2.1372 2.1372 4.3797 4.3797 5.2259 5.2259 5.8671 5.8671 6.0701 6.0701 6.1586 6.1586 k = 0.4800 0.2771 0.9588 ( 21896 PWs) bands (ev): -42.4970 -42.4970 -42.4907 -42.4907 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4606 -41.4606 -41.3342 -41.3342 -12.9844 -12.9844 -8.9276 -8.9276 -8.8986 -8.8986 -8.8417 -8.8417 -2.5412 -2.5412 -1.5220 -1.5220 -1.2715 -1.2715 1.0676 1.0676 1.2269 1.2269 1.3982 1.3982 1.4565 1.4565 1.4713 1.4713 1.6583 1.6583 1.9852 1.9852 2.0079 2.0079 2.1384 2.1384 4.3770 4.3770 5.2377 5.2377 5.8586 5.8586 6.0534 6.0534 6.1619 6.1619 k = 0.5000 0.2887 0.9588 ( 21908 PWs) bands (ev): -42.4970 -42.4970 -42.4907 -42.4907 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4606 -41.4606 -41.3342 -41.3342 -12.9844 -12.9844 -8.9276 -8.9276 -8.8986 -8.8986 -8.8416 -8.8416 -2.5413 -2.5413 -1.5222 -1.5222 -1.2717 -1.2717 1.0780 1.0780 1.2170 1.2170 1.4015 1.4015 1.4562 1.4562 1.4682 1.4682 1.6582 1.6582 1.9857 1.9857 2.0084 2.0084 2.1389 2.1389 4.3760 4.3760 5.2419 5.2419 5.8558 5.8558 6.0476 6.0476 6.1630 6.1630 k = 0.5000 0.2887 0.9588 ( 21908 PWs) bands (ev): -42.4970 -42.4970 -42.4907 -42.4907 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4606 -41.4606 -41.3342 -41.3342 -12.9844 -12.9844 -8.9276 -8.9276 -8.8986 -8.8986 -8.8416 -8.8416 -2.5413 -2.5413 -1.5222 -1.5222 -1.2717 -1.2717 1.0780 1.0780 1.2170 1.2170 1.4015 1.4015 1.4562 1.4562 1.4682 1.4682 1.6582 1.6582 1.9857 1.9857 2.0084 2.0084 2.1389 2.1389 4.3760 4.3760 5.2419 5.2419 5.8558 5.8558 6.0476 6.0476 6.1630 6.1630 k = 0.4889 0.3079 0.9588 ( 21896 PWs) bands (ev): -42.4970 -42.4970 -42.4907 -42.4907 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4606 -41.4606 -41.3342 -41.3342 -12.9844 -12.9844 -8.9277 -8.9277 -8.8987 -8.8987 -8.8416 -8.8416 -2.5413 -2.5413 -1.5227 -1.5217 -1.2725 -1.2712 1.0770 1.0806 1.2163 1.2193 1.4004 1.4018 1.4564 1.4576 1.4681 1.4685 1.6580 1.6587 1.9836 1.9838 2.0040 2.0065 2.1404 2.1430 4.3794 4.3795 5.2399 5.2401 5.8555 5.8555 6.0176 6.0184 6.1934 6.1938 k = 0.4778 0.3272 0.9588 ( 21892 PWs) bands (ev): -42.4970 -42.4970 -42.4907 -42.4907 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4606 -41.4606 -41.3342 -41.3342 -12.9844 -12.9844 -8.9277 -8.9277 -8.8987 -8.8987 -8.8415 -8.8415 -2.5414 -2.5414 -1.5231 -1.5212 -1.2737 -1.2712 1.0777 1.0848 1.2173 1.2233 1.3986 1.4013 1.4581 1.4602 1.4684 1.4691 1.6582 1.6595 1.9773 1.9778 1.9941 1.9986 2.1470 2.1517 4.3897 4.3898 5.2342 5.2346 5.8546 5.8546 5.9626 5.9636 6.2513 6.2513 k = 0.4667 0.3464 0.9588 ( 21910 PWs) bands (ev): -42.4970 -42.4970 -42.4907 -42.4907 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9278 -8.9278 -8.8987 -8.8987 -8.8414 -8.8414 -2.5416 -2.5415 -1.5235 -1.5207 -1.2752 -1.2715 1.0799 1.0905 1.2200 1.2289 1.3964 1.4001 1.4610 1.4637 1.4693 1.4701 1.6587 1.6607 1.9673 1.9679 1.9807 1.9864 2.1572 2.1632 4.4066 4.4067 5.2249 5.2254 5.8530 5.8531 5.9034 5.9044 6.3147 6.3153 k = 0.4556 0.3657 0.9588 ( 21924 PWs) bands (ev): -42.4969 -42.4969 -42.4907 -42.4907 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9280 -8.9280 -8.8987 -8.8987 -8.8412 -8.8412 -2.5418 -2.5417 -1.5239 -1.5202 -1.2770 -1.2721 1.0835 1.0975 1.2243 1.2362 1.3941 1.3985 1.4645 1.4669 1.4714 1.4718 1.6595 1.6621 1.9538 1.9546 1.9650 1.9715 2.1693 2.1762 4.4298 4.4300 5.2122 5.2128 5.8439 5.8448 5.8509 5.8510 6.3792 6.3809 k = 0.4444 0.3849 0.9588 ( 21904 PWs) bands (ev): -42.4969 -42.4969 -42.4907 -42.4907 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9281 -8.9281 -8.8987 -8.8987 -8.8410 -8.8410 -2.5420 -2.5419 -1.5242 -1.5197 -1.2791 -1.2730 1.0882 1.1055 1.2304 1.2451 1.3918 1.3968 1.4679 1.4688 1.4744 1.4756 1.6606 1.6638 1.9373 1.9382 1.9481 1.9551 2.1821 2.1897 4.4590 4.4592 5.1963 5.1970 5.7854 5.7859 5.8481 5.8482 6.4429 6.4463 k = 0.4333 0.4041 0.9588 ( 21918 PWs) bands (ev): -42.4969 -42.4969 -42.4907 -42.4907 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9283 -8.9283 -8.8987 -8.8987 -8.8408 -8.8408 -2.5423 -2.5422 -1.5246 -1.5193 -1.2813 -1.2741 1.0939 1.1143 1.2380 1.2554 1.3897 1.3952 1.4702 1.4706 1.4784 1.4808 1.6618 1.6656 1.9183 1.9193 1.9309 1.9382 2.1950 2.2029 4.4936 4.4939 5.1776 5.1782 5.7281 5.7284 5.8448 5.8448 6.5041 6.5099 k = 0.4222 0.4234 0.9588 ( 21914 PWs) bands (ev): -42.4969 -42.4969 -42.4907 -42.4907 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9286 -8.9286 -8.8987 -8.8987 -8.8405 -8.8405 -2.5426 -2.5425 -1.5249 -1.5189 -1.2836 -1.2754 1.1003 1.1236 1.2470 1.2669 1.3878 1.3937 1.4716 1.4728 1.4831 1.4862 1.6633 1.6676 1.8974 1.8983 1.9140 1.9215 2.2074 2.2155 4.5331 4.5334 5.1564 5.1570 5.6723 5.6724 5.8408 5.8409 6.5217 6.5220 k = 0.4111 0.4426 0.9588 ( 21910 PWs) bands (ev): -42.4969 -42.4969 -42.4907 -42.4907 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7818 -41.7817 -41.4612 -41.4612 -41.4610 -41.4610 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9288 -8.9288 -8.8987 -8.8987 -8.8403 -8.8403 -2.5429 -2.5428 -1.5253 -1.5185 -1.2858 -1.2768 1.1072 1.1331 1.2571 1.2793 1.3863 1.3925 1.4731 1.4749 1.4879 1.4914 1.6647 1.6695 1.8752 1.8761 1.8978 1.9056 2.2188 2.2272 4.5767 4.5770 5.1333 5.1338 5.6181 5.6185 5.8364 5.8364 6.5076 6.5080 k = 0.4000 0.4619 0.9588 ( 21922 PWs) bands (ev): -42.4969 -42.4969 -42.4907 -42.4907 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7817 -41.7817 -41.4612 -41.4612 -41.4610 -41.4610 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9290 -8.9290 -8.8988 -8.8988 -8.8400 -8.8400 -2.5432 -2.5431 -1.5256 -1.5182 -1.2880 -1.2781 1.1144 1.1427 1.2677 1.2920 1.3851 1.3916 1.4748 1.4771 1.4923 1.4962 1.6661 1.6714 1.8527 1.8536 1.8830 1.8908 2.2292 2.2377 4.6235 4.6238 5.1090 5.1093 5.5660 5.5668 5.8316 5.8317 6.4944 6.4948 k = 0.3889 0.4811 0.9588 ( 21926 PWs) bands (ev): -42.4969 -42.4969 -42.4907 -42.4907 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7817 -41.7817 -41.4612 -41.4612 -41.4610 -41.4610 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9292 -8.9292 -8.8988 -8.8988 -8.8397 -8.8397 -2.5435 -2.5434 -1.5259 -1.5180 -1.2900 -1.2794 1.1217 1.1521 1.2781 1.3045 1.3842 1.3910 1.4766 1.4794 1.4961 1.5004 1.6672 1.6730 1.8308 1.8316 1.8698 1.8777 2.2383 2.2469 4.6722 4.6724 5.0841 5.0842 5.5165 5.5177 5.8267 5.8267 6.4826 6.4830 k = 0.3778 0.5004 0.9588 ( 21930 PWs) bands (ev): -42.4969 -42.4969 -42.4907 -42.4907 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7817 -41.7817 -41.4612 -41.4612 -41.4611 -41.4611 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9294 -8.9294 -8.8988 -8.8988 -8.8395 -8.8395 -2.5438 -2.5437 -1.5262 -1.5178 -1.2918 -1.2806 1.1289 1.1612 1.2875 1.3158 1.3837 1.3907 1.4786 1.4819 1.4990 1.5037 1.6681 1.6742 1.8108 1.8113 1.8586 1.8666 2.2459 2.2546 4.7210 4.7212 5.0597 5.0598 5.4706 5.4720 5.8219 5.8219 6.4725 6.4729 k = 0.3667 0.5196 0.9588 ( 21918 PWs) bands (ev): -42.4969 -42.4969 -42.4908 -42.4908 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7817 -41.7817 -41.4612 -41.4612 -41.4611 -41.4611 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9296 -8.9296 -8.8988 -8.8988 -8.8393 -8.8393 -2.5440 -2.5439 -1.5265 -1.5178 -1.2932 -1.2816 1.1356 1.1698 1.2949 1.3251 1.3835 1.3906 1.4805 1.4845 1.5007 1.5061 1.6686 1.6750 1.7937 1.7940 1.8498 1.8578 2.2519 2.2607 4.7674 4.7674 5.0375 5.0375 5.4294 5.4312 5.8175 5.8175 6.4646 6.4650 k = 0.3556 0.5389 0.9588 ( 21926 PWs) bands (ev): -42.4969 -42.4969 -42.4908 -42.4908 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7817 -41.7817 -41.4612 -41.4612 -41.4611 -41.4611 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9297 -8.9297 -8.8988 -8.8988 -8.8392 -8.8392 -2.5442 -2.5441 -1.5267 -1.5177 -1.2943 -1.2823 1.1414 1.1773 1.2997 1.3318 1.3834 1.3907 1.4823 1.4871 1.5013 1.5074 1.6688 1.6754 1.7807 1.7808 1.8436 1.8516 2.2563 2.2651 4.8066 4.8067 5.0198 5.0199 5.3953 5.3972 5.8139 5.8139 6.4588 6.4592 k = 0.3444 0.5581 0.9588 ( 21918 PWs) bands (ev): -42.4968 -42.4968 -42.4908 -42.4908 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7817 -41.7817 -41.4612 -41.4612 -41.4611 -41.4611 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9298 -8.9298 -8.8988 -8.8988 -8.8391 -8.8391 -2.5443 -2.5442 -1.5269 -1.5177 -1.2950 -1.2828 1.1455 1.1830 1.3017 1.3354 1.3835 1.3909 1.4837 1.4895 1.5007 1.5078 1.6688 1.6755 1.7726 1.7727 1.8400 1.8480 2.2589 2.2677 4.8327 4.8330 5.0099 5.0099 5.3714 5.3735 5.8114 5.8114 6.4554 6.4558 k = 0.3333 0.5774 0.9588 ( 21930 PWs) bands (ev): -42.4968 -42.4968 -42.4908 -42.4908 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7817 -41.7817 -41.4612 -41.4612 -41.4611 -41.4611 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9298 -8.9298 -8.8988 -8.8988 -8.8390 -8.8390 -2.5443 -2.5442 -1.5269 -1.5177 -1.2952 -1.2830 1.1472 1.1853 1.3020 1.3364 1.3835 1.3910 1.4843 1.4908 1.5001 1.5078 1.6687 1.6755 1.7698 1.7700 1.8388 1.8468 2.2598 2.2686 4.8413 4.8416 5.0077 5.0077 5.3624 5.3645 5.8105 5.8105 6.4542 6.4547 k = 0.3333 0.5774 0.9588 ( 21930 PWs) bands (ev): -42.4968 -42.4968 -42.4908 -42.4908 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7817 -41.7817 -41.4612 -41.4612 -41.4611 -41.4611 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9298 -8.9298 -8.8988 -8.8988 -8.8390 -8.8390 -2.5443 -2.5442 -1.5269 -1.5177 -1.2952 -1.2830 1.1472 1.1853 1.3020 1.3364 1.3835 1.3910 1.4843 1.4908 1.5001 1.5078 1.6687 1.6755 1.7698 1.7700 1.8388 1.8468 2.2598 2.2686 4.8413 4.8416 5.0077 5.0077 5.3624 5.3645 5.8105 5.8105 6.4542 6.4547 k = 0.3218 0.5574 0.9588 ( 21922 PWs) bands (ev): -42.4968 -42.4968 -42.4908 -42.4908 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7817 -41.7817 -41.4612 -41.4612 -41.4611 -41.4611 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9298 -8.9298 -8.8988 -8.8988 -8.8391 -8.8391 -2.5443 -2.5442 -1.5268 -1.5177 -1.2949 -1.2828 1.1449 1.1820 1.3026 1.3359 1.3834 1.3908 1.4835 1.4890 1.5013 1.5081 1.6689 1.6756 1.7726 1.7727 1.8399 1.8480 2.2588 2.2677 4.8342 4.8344 5.0069 5.0069 5.3731 5.3752 5.8116 5.8116 6.4554 6.4558 k = 0.3103 0.5375 0.9588 ( 21910 PWs) bands (ev): -42.4969 -42.4969 -42.4908 -42.4908 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7817 -41.7817 -41.4612 -41.4612 -41.4611 -41.4611 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9297 -8.9297 -8.8988 -8.8988 -8.8392 -8.8392 -2.5441 -2.5440 -1.5266 -1.5176 -1.2942 -1.2823 1.1372 1.1710 1.3060 1.3360 1.3828 1.3901 1.4809 1.4848 1.5042 1.5093 1.6693 1.6759 1.7802 1.7803 1.8430 1.8510 2.2560 2.2649 4.8175 4.8175 5.0004 5.0005 5.4051 5.4071 5.8152 5.8152 6.4589 6.4593 k = 0.2989 0.5176 0.9588 ( 21944 PWs) bands (ev): -42.4969 -42.4969 -42.4908 -42.4908 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7817 -41.7817 -41.4612 -41.4612 -41.4611 -41.4611 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9295 -8.9295 -8.8988 -8.8988 -8.8394 -8.8394 -2.5439 -2.5438 -1.5261 -1.5174 -1.2930 -1.2814 1.1230 1.1519 1.3135 1.3384 1.3814 1.3884 1.4769 1.4796 1.5079 1.5116 1.6701 1.6765 1.7915 1.7919 1.8478 1.8557 2.2515 2.2602 4.7954 4.7957 4.9876 4.9878 5.4545 5.4562 5.8218 5.8218 6.4645 6.4649 k = 0.2874 0.4977 0.9588 ( 21966 PWs) bands (ev): -42.4969 -42.4969 -42.4907 -42.4907 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7818 -41.7818 -41.4612 -41.4612 -41.4610 -41.4610 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9292 -8.9292 -8.8988 -8.8988 -8.8397 -8.8397 -2.5435 -2.5434 -1.5254 -1.5170 -1.2914 -1.2801 1.1023 1.1260 1.3249 1.3444 1.3789 1.3853 1.4725 1.4746 1.5120 1.5147 1.6712 1.6775 1.8053 1.8059 1.8537 1.8616 2.2452 2.2539 4.7699 4.7705 4.9721 4.9725 5.5159 5.5174 5.8315 5.8315 6.4720 6.4724 k = 0.2759 0.4778 0.9588 ( 21954 PWs) bands (ev): -42.4969 -42.4969 -42.4907 -42.4907 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9288 -8.9288 -8.8988 -8.8988 -8.8402 -8.8402 -2.5430 -2.5429 -1.5244 -1.5163 -1.2893 -1.2785 1.0759 1.0949 1.3394 1.3541 1.3750 1.3807 1.4684 1.4703 1.5163 1.5184 1.6726 1.6787 1.8204 1.8213 1.8605 1.8684 2.2374 2.2460 4.7413 4.7423 4.9580 4.9587 5.5849 5.5862 5.8446 5.8447 6.4813 6.4817 k = 0.2644 0.4579 0.9588 ( 21944 PWs) bands (ev): -42.4969 -42.4969 -42.4907 -42.4907 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9283 -8.9283 -8.8988 -8.8988 -8.8407 -8.8407 -2.5423 -2.5422 -1.5231 -1.5155 -1.2868 -1.2766 1.0449 1.0601 1.3564 1.3667 1.3699 1.3742 1.4653 1.4675 1.5208 1.5225 1.6741 1.6800 1.8358 1.8370 1.8680 1.8757 2.2281 2.2366 4.7095 4.7108 4.9484 4.9492 5.6584 5.6595 5.8615 5.8615 6.4922 6.4927 k = 0.2529 0.4380 0.9588 ( 21924 PWs) bands (ev): -42.4970 -42.4970 -42.4907 -42.4907 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9277 -8.9277 -8.8988 -8.8988 -8.8414 -8.8414 -2.5415 -2.5414 -1.5214 -1.5143 -1.2840 -1.2744 1.0106 1.0228 1.3619 1.3660 1.3755 1.3835 1.4635 1.4660 1.5253 1.5268 1.6757 1.6813 1.8508 1.8522 1.8759 1.8835 2.2176 2.2260 4.6743 4.6757 4.9454 4.9462 5.7344 5.7351 5.8821 5.8822 6.5046 6.5050 k = 0.2414 0.4181 0.9588 ( 21948 PWs) bands (ev): -42.4970 -42.4970 -42.4906 -42.4906 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9270 -8.9270 -8.8987 -8.8987 -8.8421 -8.8421 -2.5406 -2.5406 -1.5194 -1.5128 -1.2808 -1.2719 0.9741 0.9839 1.3532 1.3564 1.3962 1.4019 1.4630 1.4659 1.5299 1.5313 1.6771 1.6824 1.8645 1.8661 1.8841 1.8915 2.2061 2.2143 4.6356 4.6372 4.9499 4.9506 5.8111 5.8115 5.9065 5.9066 6.4904 6.4983 k = 0.2299 0.3982 0.9588 ( 21932 PWs) bands (ev): -42.4970 -42.4970 -42.4906 -42.4906 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4609 -41.4609 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9262 -8.9262 -8.8987 -8.8987 -8.8430 -8.8430 -2.5396 -2.5395 -1.5171 -1.5109 -1.2774 -1.2691 0.9360 0.9440 1.3435 1.3460 1.4185 1.4223 1.4637 1.4670 1.5344 1.5358 1.6784 1.6834 1.8767 1.8785 1.8923 1.8995 2.1937 2.2018 4.5939 4.5954 4.9623 4.9630 5.8869 5.8870 5.9348 5.9350 6.4449 6.4505 k = 0.2184 0.3783 0.9588 ( 21930 PWs) bands (ev): -42.4971 -42.4971 -42.4906 -42.4906 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4614 -41.4614 -41.4609 -41.4609 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9253 -8.9253 -8.8987 -8.8987 -8.8440 -8.8440 -2.5385 -2.5384 -1.5144 -1.5088 -1.2737 -1.2661 0.8970 0.9036 1.3331 1.3350 1.4421 1.4444 1.4655 1.4688 1.5388 1.5402 1.6794 1.6840 1.8869 1.8888 1.9006 1.9076 2.1807 2.1886 4.5495 4.5509 4.9827 4.9831 5.9589 5.9603 5.9670 5.9676 6.4027 6.4062 k = 0.2069 0.3584 0.9588 ( 21934 PWs) bands (ev): -42.4971 -42.4971 -42.4905 -42.4905 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7819 -41.7819 -41.4614 -41.4614 -41.4609 -41.4609 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9243 -8.9243 -8.8987 -8.8987 -8.8451 -8.8451 -2.5372 -2.5372 -1.5113 -1.5063 -1.2697 -1.2630 0.8577 0.8631 1.3225 1.3239 1.4646 1.4665 1.4712 1.4715 1.5429 1.5444 1.6801 1.6843 1.8950 1.8971 1.9089 1.9156 2.1674 2.1749 4.5028 4.5041 5.0108 5.0110 6.0025 6.0025 6.0268 6.0287 6.3668 6.3680 k = 0.1954 0.3384 0.9588 ( 21948 PWs) bands (ev): -42.4972 -42.4972 -42.4905 -42.4905 -42.4899 -42.4899 -41.8249 -41.8249 -41.7822 -41.7822 -41.7819 -41.7819 -41.4614 -41.4614 -41.4609 -41.4609 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9232 -8.9232 -8.8987 -8.8987 -8.8464 -8.8464 -2.5359 -2.5358 -1.5080 -1.5035 -1.2656 -1.2596 0.8184 0.8228 1.3118 1.3129 1.4694 1.4738 1.4930 1.4943 1.5466 1.5483 1.6805 1.6843 1.9010 1.9031 1.9170 1.9235 2.1538 2.1611 4.4541 4.4553 5.0461 5.0462 6.0417 6.0418 6.0831 6.0870 6.3405 6.3420 k = 0.1839 0.3185 0.9588 ( 21948 PWs) bands (ev): -42.4972 -42.4972 -42.4904 -42.4904 -42.4899 -42.4899 -41.8249 -41.8249 -41.7822 -41.7822 -41.7819 -41.7819 -41.4614 -41.4614 -41.4608 -41.4608 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9219 -8.9219 -8.8987 -8.8987 -8.8477 -8.8477 -2.5345 -2.5344 -1.5044 -1.5004 -1.2614 -1.2560 0.7795 0.7831 1.3014 1.3022 1.4726 1.4768 1.5198 1.5203 1.5498 1.5516 1.6808 1.6841 1.9050 1.9071 1.9249 1.9312 2.1402 2.1472 4.4040 4.4050 5.0882 5.0885 6.0838 6.0841 6.1205 6.1267 6.3321 6.3367 k = 0.1724 0.2986 0.9588 ( 21944 PWs) bands (ev): -42.4973 -42.4973 -42.4904 -42.4904 -42.4899 -42.4899 -41.8249 -41.8249 -41.7822 -41.7822 -41.7819 -41.7819 -41.4615 -41.4615 -41.4608 -41.4608 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9206 -8.9206 -8.8987 -8.8987 -8.8492 -8.8492 -2.5330 -2.5329 -1.5005 -1.4971 -1.2570 -1.2523 0.7412 0.7442 1.2914 1.2920 1.4758 1.4799 1.5474 1.5474 1.5521 1.5542 1.6811 1.6839 1.9070 1.9090 1.9328 1.9388 2.1268 2.1334 4.3527 4.3536 5.1367 5.1373 6.1232 6.1274 6.1382 6.1417 6.3502 6.3564 k = 0.1609 0.2787 0.9588 ( 21954 PWs) bands (ev): -42.4973 -42.4973 -42.4903 -42.4903 -42.4899 -42.4899 -41.8249 -41.8249 -41.7822 -41.7822 -41.7820 -41.7820 -41.4615 -41.4615 -41.4608 -41.4608 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9191 -8.9191 -8.8987 -8.8987 -8.8507 -8.8507 -2.5314 -2.5314 -1.4966 -1.4936 -1.2525 -1.2485 0.7040 0.7063 1.2820 1.2824 1.4791 1.4831 1.5534 1.5557 1.5753 1.5756 1.6816 1.6839 1.9071 1.9091 1.9405 1.9462 2.1137 2.1199 4.3007 4.3015 5.1910 5.1919 6.1223 6.1302 6.1793 6.1801 6.3877 6.3938 k = 0.1494 0.2588 0.9588 ( 21956 PWs) bands (ev): -42.4974 -42.4974 -42.4903 -42.4903 -42.4899 -42.4899 -41.8248 -41.8248 -41.7822 -41.7822 -41.7820 -41.7820 -41.4615 -41.4615 -41.4608 -41.4608 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9176 -8.9176 -8.8987 -8.8987 -8.8524 -8.8524 -2.5299 -2.5299 -1.4925 -1.4900 -1.2479 -1.2446 0.6679 0.6698 1.2731 1.2735 1.4823 1.4862 1.5536 1.5561 1.6036 1.6042 1.6825 1.6843 1.9058 1.9076 1.9480 1.9533 2.1010 2.1068 4.2485 4.2491 5.2506 5.2516 6.1073 6.1143 6.2295 6.2301 6.4321 6.4375 k = 0.1379 0.2389 0.9588 ( 21940 PWs) bands (ev): -42.4974 -42.4974 -42.4902 -42.4902 -42.4899 -42.4899 -41.8248 -41.8248 -41.7822 -41.7822 -41.7820 -41.7820 -41.4615 -41.4615 -41.4608 -41.4608 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9160 -8.9160 -8.8987 -8.8987 -8.8541 -8.8541 -2.5283 -2.5283 -1.4883 -1.4863 -1.2434 -1.2406 0.6333 0.6348 1.2650 1.2652 1.4855 1.4891 1.5526 1.5552 1.6321 1.6329 1.6839 1.6852 1.9031 1.9049 1.9553 1.9603 2.0888 2.0942 4.1965 4.1970 5.3146 5.3158 6.0901 6.0962 6.2819 6.2825 6.4757 6.4804 k = 0.1264 0.2190 0.9588 ( 21936 PWs) bands (ev): -42.4975 -42.4975 -42.4902 -42.4902 -42.4899 -42.4899 -41.8248 -41.8248 -41.7822 -41.7822 -41.7820 -41.7820 -41.4615 -41.4615 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9143 -8.9143 -8.8987 -8.8987 -8.8559 -8.8559 -2.5268 -2.5268 -1.4842 -1.4826 -1.2388 -1.2366 0.6004 0.6015 1.2576 1.2578 1.4886 1.4920 1.5503 1.5530 1.6605 1.6614 1.6861 1.6870 1.8994 1.9011 1.9623 1.9670 2.0772 2.0821 4.1453 4.1457 5.3823 5.3837 6.0735 6.0789 6.3358 6.3363 6.5153 6.5193 k = 0.1149 0.1991 0.9588 ( 21916 PWs) bands (ev): -42.4975 -42.4975 -42.4901 -42.4901 -42.4899 -42.4899 -41.8247 -41.8247 -41.7822 -41.7822 -41.7821 -41.7821 -41.4615 -41.4615 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9126 -8.9126 -8.8987 -8.8987 -8.8577 -8.8577 -2.5253 -2.5253 -1.4802 -1.4790 -1.2343 -1.2326 0.5694 0.5703 1.2510 1.2511 1.4915 1.4946 1.5468 1.5495 1.6867 1.6868 1.6912 1.6917 1.8950 1.8966 1.9690 1.9733 2.0662 2.0707 4.0954 4.0958 5.4528 5.4543 6.0586 6.0634 6.3905 6.3910 6.5491 6.5524 k = 0.1034 0.1792 0.9588 ( 21928 PWs) bands (ev): -42.4976 -42.4976 -42.4901 -42.4901 -42.4899 -42.4899 -41.8247 -41.8247 -41.7822 -41.7822 -41.7821 -41.7821 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9108 -8.9108 -8.8987 -8.8987 -8.8596 -8.8596 -2.5239 -2.5239 -1.4764 -1.4755 -1.2300 -1.2287 0.5405 0.5412 1.2451 1.2452 1.4942 1.4971 1.5424 1.5450 1.6916 1.6921 1.7164 1.7175 1.8901 1.8916 1.9754 1.9793 2.0559 2.0600 4.0475 4.0478 5.5251 5.5267 6.0458 6.0501 6.4453 6.4458 6.5762 6.5789 k = 0.0920 0.1593 0.9588 ( 21916 PWs) bands (ev): -42.4976 -42.4976 -42.4900 -42.4900 -42.4899 -42.4899 -41.8247 -41.8247 -41.7822 -41.7822 -41.7821 -41.7821 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9089 -8.9089 -8.8987 -8.8987 -8.8615 -8.8615 -2.5225 -2.5225 -1.4728 -1.4721 -1.2258 -1.2249 0.5140 0.5145 1.2400 1.2401 1.4967 1.4993 1.5373 1.5397 1.6955 1.6958 1.7426 1.7436 1.8851 1.8864 1.9814 1.9848 2.0464 2.0500 4.0023 4.0025 5.5980 5.5997 6.0353 6.0390 6.4996 6.5001 6.5963 6.5985 k = 0.0805 0.1394 0.9588 ( 21932 PWs) bands (ev): -42.4977 -42.4977 -42.4900 -42.4900 -42.4899 -42.4899 -41.8247 -41.8247 -41.7822 -41.7822 -41.7821 -41.7821 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9071 -8.9071 -8.8987 -8.8987 -8.8634 -8.8634 -2.5213 -2.5213 -1.4695 -1.4690 -1.2220 -1.2213 0.4900 0.4904 1.2357 1.2357 1.4990 1.5013 1.5318 1.5340 1.6996 1.6997 1.7672 1.7682 1.8800 1.8812 1.9868 1.9899 2.0377 2.0408 3.9602 3.9604 5.6702 5.6718 6.0270 6.0302 6.5523 6.5528 6.6095 6.6111 k = 0.0690 0.1195 0.9588 ( 21940 PWs) bands (ev): -42.4977 -42.4977 -42.4900 -42.4900 -42.4899 -42.4899 -41.8246 -41.8246 -41.7822 -41.7822 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9054 -8.9054 -8.8987 -8.8987 -8.8653 -8.8653 -2.5202 -2.5202 -1.4665 -1.4662 -1.2184 -1.2180 0.4688 0.4690 1.2320 1.2321 1.5010 1.5029 1.5264 1.5283 1.7037 1.7038 1.7899 1.7908 1.8753 1.8763 1.9917 1.9943 2.0300 2.0326 3.9221 3.9222 5.7400 5.7416 6.0208 6.0236 6.6016 6.6024 6.6169 6.6176 k = 0.0575 0.0995 0.9588 ( 21936 PWs) bands (ev): -42.4977 -42.4977 -42.4899 -42.4899 -42.4899 -42.4899 -41.8246 -41.8246 -41.7822 -41.7822 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9037 -8.9037 -8.8987 -8.8987 -8.8671 -8.8671 -2.5192 -2.5192 -1.4640 -1.4638 -1.2152 -1.2150 0.4505 0.4506 1.2291 1.2291 1.5027 1.5043 1.5212 1.5228 1.7076 1.7077 1.8101 1.8109 1.8709 1.8718 1.9960 1.9981 2.0232 2.0254 3.8885 3.8886 5.8055 5.8070 6.0170 6.0192 6.6151 6.6161 6.6501 6.6502 k = 0.0460 0.0796 0.9588 ( 21938 PWs) bands (ev): -42.4977 -42.4977 -42.4899 -42.4899 -42.4899 -42.4899 -41.8246 -41.8246 -41.7822 -41.7822 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9021 -8.9021 -8.8987 -8.8987 -8.8687 -8.8687 -2.5184 -2.5184 -1.4618 -1.4617 -1.2125 -1.2124 0.4353 0.4353 1.2267 1.2267 1.5040 1.5053 1.5167 1.5180 1.7112 1.7112 1.8274 1.8281 1.8672 1.8679 1.9996 2.0012 2.0176 2.0193 3.8601 3.8601 5.8638 5.8651 6.0158 6.0175 6.6108 6.6113 6.6912 6.6914 k = 0.0345 0.0597 0.9588 ( 21950 PWs) bands (ev): -42.4978 -42.4978 -42.4899 -42.4899 -42.4899 -42.4899 -41.8246 -41.8246 -41.7822 -41.7822 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9007 -8.9007 -8.8987 -8.8987 -8.8701 -8.8701 -2.5177 -2.5177 -1.4601 -1.4601 -1.2104 -1.2103 0.4233 0.4233 1.2250 1.2250 1.5050 1.5059 1.5131 1.5140 1.7142 1.7142 1.8414 1.8419 1.8642 1.8647 2.0023 2.0035 2.0133 2.0145 3.8373 3.8373 5.9113 5.9122 6.0183 6.0194 6.6030 6.6033 6.7258 6.7259 k = 0.0230 0.0398 0.9588 ( 21958 PWs) bands (ev): -42.4978 -42.4978 -42.4899 -42.4899 -42.4899 -42.4899 -41.8246 -41.8246 -41.7822 -41.7822 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.8996 -8.8996 -8.8987 -8.8987 -8.8712 -8.8712 -2.5172 -2.5172 -1.4589 -1.4589 -1.2088 -1.2088 0.4146 0.4146 1.2237 1.2237 1.5055 1.5059 1.5109 1.5112 1.7165 1.7165 1.8517 1.8521 1.8620 1.8623 2.0041 2.0047 2.0107 2.0113 3.8206 3.8206 5.9435 5.9439 6.0257 6.0261 6.5944 6.5945 6.7521 6.7522 k = 0.0115 0.0199 0.9588 ( 21962 PWs) bands (ev): -42.4978 -42.4978 -42.4899 -42.4899 -42.4899 -42.4899 -41.8246 -41.8246 -41.7822 -41.7822 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.8989 -8.8989 -8.8987 -8.8987 -8.8719 -8.8719 -2.5169 -2.5169 -1.4581 -1.4581 -1.2078 -1.2078 0.4094 0.4094 1.2230 1.2230 1.5055 1.5055 1.5098 1.5099 1.7179 1.7179 1.8581 1.8582 1.8606 1.8608 2.0046 2.0047 2.0096 2.0097 3.8105 3.8105 5.9596 5.9597 6.0352 6.0353 6.5877 6.5877 6.7686 6.7686 k = 0.0000 0.0000 0.9588 ( 21924 PWs) bands (ev): -42.4978 -42.4978 -42.4899 -42.4899 -42.4899 -42.4899 -41.8246 -41.8246 -41.7822 -41.7822 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.8987 -8.8987 -8.8987 -8.8987 -8.8722 -8.8722 -2.5168 -2.5168 -1.4579 -1.4579 -1.2075 -1.2075 0.4077 0.4077 1.2228 1.2228 1.5053 1.5053 1.5096 1.5096 1.7184 1.7184 1.8603 1.8603 1.8603 1.8603 2.0046 2.0046 2.0095 2.0095 3.8071 3.8071 5.9640 5.9640 6.0396 6.0396 6.5851 6.5851 6.7740 6.7740 k = 0.5000 0.2887 0.9588 ( 21908 PWs) bands (ev): -42.4970 -42.4970 -42.4907 -42.4907 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4606 -41.4606 -41.3342 -41.3342 -12.9844 -12.9844 -8.9276 -8.9276 -8.8986 -8.8986 -8.8416 -8.8416 -2.5413 -2.5413 -1.5222 -1.5222 -1.2717 -1.2717 1.0780 1.0780 1.2170 1.2170 1.4015 1.4015 1.4562 1.4562 1.4682 1.4682 1.6582 1.6582 1.9857 1.9857 2.0084 2.0084 2.1389 2.1389 4.3760 4.3760 5.2419 5.2419 5.8558 5.8558 6.0476 6.0476 6.1630 6.1630 k = 0.5000 0.2887 0.9354 ( 21914 PWs) bands (ev): -42.4970 -42.4970 -42.4907 -42.4907 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4606 -41.4606 -41.3342 -41.3342 -12.9847 -12.9847 -8.9275 -8.9275 -8.8985 -8.8985 -8.8414 -8.8414 -2.5393 -2.5392 -1.5225 -1.5225 -1.2722 -1.2722 1.0772 1.0773 1.2164 1.2165 1.4005 1.4006 1.4558 1.4561 1.4683 1.4687 1.6574 1.6575 1.9854 1.9855 2.0073 2.0077 2.1385 2.1386 4.3793 4.3793 5.2426 5.2427 5.8575 5.8583 6.0477 6.0481 6.1651 6.1651 k = 0.5000 0.2887 0.9120 ( 21912 PWs) bands (ev): -42.4970 -42.4970 -42.4907 -42.4907 -42.4899 -42.4899 -41.8250 -41.8250 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4607 -41.4607 -41.3342 -41.3342 -12.9855 -12.9855 -8.9272 -8.9272 -8.8980 -8.8980 -8.8411 -8.8411 -2.5332 -2.5331 -1.5235 -1.5233 -1.2738 -1.2738 1.0749 1.0752 1.2146 1.2149 1.3975 1.3976 1.4550 1.4554 1.4691 1.4699 1.6552 1.6554 1.9845 1.9846 2.0042 2.0051 2.1376 2.1378 4.3892 4.3892 5.2448 5.2450 5.8635 5.8649 6.0484 6.0492 6.1715 6.1715 k = 0.5000 0.2887 0.8887 ( 21920 PWs) bands (ev): -42.4970 -42.4970 -42.4907 -42.4907 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4607 -41.4607 -41.3342 -41.3342 -12.9870 -12.9870 -8.9265 -8.9265 -8.8973 -8.8973 -8.8404 -8.8404 -2.5231 -2.5230 -1.5250 -1.5248 -1.2765 -1.2765 1.0711 1.0715 1.2118 1.2123 1.3925 1.3927 1.4536 1.4541 1.4707 1.4719 1.6515 1.6518 1.9829 1.9832 1.9994 2.0006 2.1362 2.1365 4.4055 4.4056 5.2485 5.2488 5.8737 5.8758 6.0497 6.0508 6.1820 6.1820 k = 0.5000 0.2887 0.8653 ( 21908 PWs) bands (ev): -42.4970 -42.4970 -42.4907 -42.4907 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4607 -41.4607 -41.3342 -41.3342 -12.9891 -12.9891 -8.9257 -8.9257 -8.8962 -8.8962 -8.8395 -8.8395 -2.5089 -2.5088 -1.5270 -1.5268 -1.2802 -1.2801 1.0660 1.0665 1.2079 1.2085 1.3855 1.3859 1.4516 1.4521 1.4730 1.4746 1.6466 1.6469 1.9805 1.9812 1.9931 1.9944 2.1342 2.1345 4.4280 4.4282 5.2535 5.2540 5.8879 5.8907 6.0513 6.0528 6.1966 6.1967 k = 0.5000 0.2887 0.8419 ( 21928 PWs) bands (ev): -42.4970 -42.4970 -42.4907 -42.4907 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4607 -41.4607 -41.3342 -41.3342 -12.9917 -12.9917 -8.9246 -8.9246 -8.8949 -8.8949 -8.8383 -8.8383 -2.4909 -2.4907 -1.5296 -1.5293 -1.2848 -1.2848 1.0597 1.0602 1.2028 1.2037 1.3767 1.3773 1.4489 1.4494 1.4760 1.4781 1.6404 1.6408 1.9768 1.9784 1.9859 1.9868 2.1316 2.1321 4.4566 4.4568 5.2598 5.2605 5.9060 5.9096 6.0533 6.0552 6.2152 6.2152 k = 0.5000 0.2887 0.8185 ( 21932 PWs) bands (ev): -42.4970 -42.4970 -42.4907 -42.4907 -42.4899 -42.4899 -41.8252 -41.8252 -41.7822 -41.7822 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4607 -41.4607 -41.3341 -41.3341 -12.9948 -12.9948 -8.9233 -8.9233 -8.8933 -8.8933 -8.8369 -8.8369 -2.4690 -2.4688 -1.5327 -1.5323 -1.2904 -1.2904 1.0522 1.0528 1.1966 1.1978 1.3662 1.3673 1.4455 1.4459 1.4797 1.4822 1.6331 1.6335 1.9702 1.9735 1.9792 1.9797 2.1285 2.1290 4.4909 4.4911 5.2673 5.2681 5.9278 5.9321 6.0554 6.0577 6.2375 6.2376 k = 0.5000 0.2887 0.7951 ( 21920 PWs) bands (ev): -42.4970 -42.4970 -42.4907 -42.4907 -42.4899 -42.4899 -41.8252 -41.8252 -41.7823 -41.7823 -41.7818 -41.7818 -41.4613 -41.4613 -41.4610 -41.4610 -41.4607 -41.4607 -41.3341 -41.3341 -12.9985 -12.9985 -8.9217 -8.9217 -8.8914 -8.8914 -8.8353 -8.8353 -2.4433 -2.4430 -1.5362 -1.5358 -1.2969 -1.2968 1.0436 1.0442 1.1890 1.1906 1.3546 1.3560 1.4414 1.4416 1.4840 1.4868 1.6248 1.6253 1.9601 1.9643 1.9742 1.9750 2.1248 2.1254 4.5304 4.5306 5.2757 5.2767 5.9529 5.9579 6.0577 6.0604 6.2634 6.2636 k = 0.5000 0.2887 0.7717 ( 21934 PWs) bands (ev): -42.4970 -42.4970 -42.4907 -42.4907 -42.4899 -42.4899 -41.8253 -41.8253 -41.7823 -41.7823 -41.7819 -41.7819 -41.4613 -41.4613 -41.4610 -41.4610 -41.4607 -41.4607 -41.3341 -41.3341 -13.0026 -13.0026 -8.9200 -8.9200 -8.8892 -8.8892 -8.8334 -8.8334 -2.4139 -2.4136 -1.5402 -1.5396 -1.3041 -1.3041 1.0341 1.0347 1.1801 1.1822 1.3420 1.3440 1.4363 1.4365 1.4886 1.4918 1.6157 1.6162 1.9480 1.9525 1.9701 1.9708 2.1206 2.1213 4.5748 4.5750 5.2850 5.2862 5.9805 5.9861 6.0606 6.0636 6.2928 6.2929 k = 0.5000 0.2887 0.7483 ( 21940 PWs) bands (ev): -42.4970 -42.4970 -42.4907 -42.4907 -42.4899 -42.4899 -41.8253 -41.8253 -41.7823 -41.7823 -41.7819 -41.7819 -41.4613 -41.4613 -41.4609 -41.4609 -41.4607 -41.4607 -41.3341 -41.3341 -13.0073 -13.0073 -8.9180 -8.9180 -8.8868 -8.8868 -8.8313 -8.8313 -2.3811 -2.3807 -1.5444 -1.5438 -1.3121 -1.3121 1.0238 1.0243 1.1698 1.1725 1.3289 1.3316 1.4303 1.4304 1.4935 1.4969 1.6059 1.6065 1.9345 1.9393 1.9659 1.9665 2.1160 2.1167 4.6235 4.6238 5.2948 5.2963 6.0088 6.0140 6.0663 6.0686 6.3253 6.3254 k = 0.5000 0.2887 0.7250 ( 21934 PWs) bands (ev): -42.4970 -42.4970 -42.4907 -42.4907 -42.4899 -42.4899 -41.8254 -41.8254 -41.7823 -41.7823 -41.7819 -41.7819 -41.4613 -41.4613 -41.4609 -41.4609 -41.4607 -41.4607 -41.3341 -41.3341 -13.0123 -13.0123 -8.9159 -8.9159 -8.8841 -8.8841 -8.8290 -8.8290 -2.3449 -2.3445 -1.5489 -1.5481 -1.3208 -1.3207 1.0128 1.0131 1.1579 1.1613 1.3159 1.3192 1.4233 1.4233 1.4984 1.5021 1.5957 1.5963 1.9200 1.9252 1.9613 1.9619 2.1108 2.1115 4.6761 4.6764 5.3051 5.3069 6.0315 6.0333 6.0811 6.0826 6.3607 6.3608 k = 0.5000 0.2887 0.7016 ( 21940 PWs) bands (ev): -42.4971 -42.4971 -42.4907 -42.4907 -42.4900 -42.4900 -41.8255 -41.8255 -41.7824 -41.7824 -41.7819 -41.7819 -41.4613 -41.4613 -41.4609 -41.4609 -41.4607 -41.4607 -41.3341 -41.3341 -13.0178 -13.0178 -8.9136 -8.9136 -8.8813 -8.8813 -8.8265 -8.8265 -2.3057 -2.3052 -1.5534 -1.5525 -1.3300 -1.3299 1.0011 1.0012 1.1445 1.1485 1.3032 1.3072 1.4152 1.4153 1.5034 1.5073 1.5851 1.5857 1.9047 1.9102 1.9566 1.9570 2.1051 2.1059 4.7318 4.7322 5.3158 5.3179 6.0389 6.0411 6.1082 6.1140 6.3988 6.3990 k = 0.5000 0.2887 0.6782 ( 21938 PWs) bands (ev): -42.4971 -42.4971 -42.4907 -42.4907 -42.4900 -42.4900 -41.8255 -41.8255 -41.7824 -41.7824 -41.7820 -41.7820 -41.4613 -41.4613 -41.4609 -41.4609 -41.4607 -41.4607 -41.3341 -41.3341 -13.0237 -13.0237 -8.9111 -8.9111 -8.8782 -8.8782 -8.8238 -8.8238 -2.2636 -2.2630 -1.5577 -1.5567 -1.3397 -1.3397 0.9888 0.9888 1.1295 1.1343 1.2912 1.2958 1.4059 1.4062 1.5082 1.5124 1.5744 1.5751 1.8888 1.8946 1.9515 1.9519 2.0990 2.0999 4.7901 4.7904 5.3266 5.3290 6.0373 6.0416 6.1453 6.1535 6.4394 6.4396 k = 0.5000 0.2887 0.6548 ( 21888 PWs) bands (ev): -42.4971 -42.4971 -42.4908 -42.4908 -42.4900 -42.4900 -41.8256 -41.8256 -41.7824 -41.7824 -41.7820 -41.7820 -41.4613 -41.4613 -41.4608 -41.4608 -41.4607 -41.4607 -41.3340 -41.3340 -13.0298 -13.0298 -8.9085 -8.9084 -8.8749 -8.8749 -8.8210 -8.8210 -2.2190 -2.2183 -1.5618 -1.5606 -1.3498 -1.3498 0.9757 0.9759 1.1132 1.1188 1.2801 1.2854 1.3956 1.3960 1.5128 1.5172 1.5637 1.5645 1.8725 1.8785 1.9462 1.9466 2.0924 2.0934 4.8500 4.8503 5.3375 5.3404 6.0323 6.0378 6.1871 6.1969 6.4822 6.4824 k = 0.5000 0.2887 0.6314 ( 21904 PWs) bands (ev): -42.4971 -42.4971 -42.4908 -42.4908 -42.4900 -42.4900 -41.8257 -41.8257 -41.7824 -41.7824 -41.7820 -41.7820 -41.4613 -41.4613 -41.4608 -41.4608 -41.4607 -41.4607 -41.3340 -41.3340 -13.0363 -13.0363 -8.9057 -8.9057 -8.8715 -8.8715 -8.8180 -8.8180 -2.1724 -2.1716 -1.5651 -1.5638 -1.3603 -1.3602 0.9619 0.9624 1.0959 1.1021 1.2700 1.2759 1.3842 1.3847 1.5170 1.5217 1.5531 1.5540 1.8558 1.8621 1.9408 1.9411 2.0855 2.0865 4.9105 4.9109 5.3487 5.3519 6.0248 6.0314 6.2316 6.2430 6.5270 6.5271 k = 0.5000 0.2887 0.6080 ( 21892 PWs) bands (ev): -42.4971 -42.4971 -42.4908 -42.4908 -42.4900 -42.4900 -41.8258 -41.8258 -41.7825 -41.7825 -41.7820 -41.7820 -41.4614 -41.4614 -41.4607 -41.4607 -41.4607 -41.4607 -41.3340 -41.3340 -13.0430 -13.0430 -8.9028 -8.9028 -8.8679 -8.8679 -8.8149 -8.8149 -2.1244 -2.1234 -1.5673 -1.5657 -1.3709 -1.3709 0.9476 0.9483 1.0779 1.0846 1.2610 1.2673 1.3718 1.3724 1.5206 1.5257 1.5429 1.5441 1.8390 1.8455 1.9352 1.9354 2.0782 2.0792 4.9703 4.9707 5.3602 5.3638 6.0155 6.0229 6.2780 6.2909 6.5736 6.5737 k = 0.5000 0.2887 0.5846 ( 21904 PWs) bands (ev): -42.4972 -42.4972 -42.4908 -42.4908 -42.4900 -42.4900 -41.8259 -41.8259 -41.7825 -41.7825 -41.7821 -41.7821 -41.4614 -41.4614 -41.4607 -41.4607 -41.4607 -41.4607 -41.3340 -41.3340 -13.0500 -13.0500 -8.8998 -8.8998 -8.8642 -8.8642 -8.8117 -8.8117 -2.0757 -2.0744 -1.5676 -1.5659 -1.3817 -1.3817 0.9326 0.9335 1.0596 1.0667 1.2531 1.2597 1.3585 1.3592 1.5224 1.5277 1.5344 1.5357 1.8222 1.8288 1.9294 1.9296 2.0707 2.0716 5.0278 5.0283 5.3725 5.3764 6.0051 6.0132 6.3256 6.3400 6.6215 6.6216 k = 0.5000 0.2887 0.5613 ( 21924 PWs) bands (ev): -42.4972 -42.4972 -42.4908 -42.4908 -42.4900 -42.4900 -41.8259 -41.8259 -41.7825 -41.7825 -41.7821 -41.7821 -41.4614 -41.4614 -41.4607 -41.4607 -41.4606 -41.4606 -41.3339 -41.3339 -13.0571 -13.0571 -8.8967 -8.8967 -8.8603 -8.8603 -8.8084 -8.8083 -2.0274 -2.0259 -1.5653 -1.5633 -1.3926 -1.3926 0.9168 0.9179 1.0414 1.0488 1.2461 1.2530 1.3444 1.3452 1.5188 1.5211 1.5324 1.5342 1.8055 1.8123 1.9236 1.9238 2.0628 2.0638 5.0809 5.0815 5.3861 5.3902 5.9943 6.0030 6.3738 6.3899 6.6707 6.6708 k = 0.5000 0.2887 0.5379 ( 21928 PWs) bands (ev): -42.4972 -42.4972 -42.4908 -42.4908 -42.4900 -42.4900 -41.8260 -41.8260 -41.7826 -41.7826 -41.7822 -41.7822 -41.4615 -41.4615 -41.4607 -41.4607 -41.4606 -41.4606 -41.3339 -41.3339 -13.0643 -13.0643 -8.8936 -8.8936 -8.8564 -8.8564 -8.8050 -8.8049 -1.9809 -1.9792 -1.5589 -1.5567 -1.4035 -1.4034 0.9004 0.9015 1.0238 1.0313 1.2400 1.2471 1.3297 1.3306 1.5107 1.5116 1.5333 1.5365 1.7891 1.7960 1.9177 1.9178 2.0547 2.0557 5.1274 5.1282 5.4016 5.4056 5.9845 5.9935 6.4222 6.4400 6.7207 6.7208 k = 0.5000 0.2887 0.5145 ( 21932 PWs) bands (ev): -42.4972 -42.4972 -42.4909 -42.4909 -42.4900 -42.4900 -41.8261 -41.8261 -41.7826 -41.7826 -41.7822 -41.7822 -41.4615 -41.4615 -41.4607 -41.4607 -41.4605 -41.4605 -41.3339 -41.3339 -13.0716 -13.0716 -8.8904 -8.8904 -8.8524 -8.8524 -8.8015 -8.8015 -1.9381 -1.9361 -1.5470 -1.5445 -1.4142 -1.4140 0.8831 0.8842 1.0069 1.0145 1.2347 1.2419 1.3145 1.3154 1.5017 1.5022 1.5347 1.5384 1.7733 1.7802 1.9118 1.9119 2.0465 2.0475 5.1648 5.1662 5.4189 5.4224 5.9776 5.9864 6.4702 6.4899 6.7712 6.7712 k = 0.5000 0.2887 0.4911 ( 21940 PWs) bands (ev): -42.4972 -42.4972 -42.4909 -42.4909 -42.4901 -42.4901 -41.8262 -41.8262 -41.7826 -41.7826 -41.7822 -41.7822 -41.4615 -41.4615 -41.4607 -41.4607 -41.4605 -41.4605 -41.3339 -41.3339 -13.0790 -13.0790 -8.8872 -8.8872 -8.8484 -8.8484 -8.7980 -8.7980 -1.9009 -1.8987 -1.5276 -1.5251 -1.4247 -1.4243 0.8652 0.8661 0.9911 0.9985 1.2301 1.2373 1.2990 1.2999 1.4927 1.4929 1.5357 1.5396 1.7580 1.7649 1.9059 1.9060 2.0381 2.0391 5.1921 5.1943 5.4368 5.4389 5.9757 5.9839 6.5174 6.5390 6.8218 6.8218 k = 0.5000 0.2887 0.4677 ( 21916 PWs) bands (ev): -42.4973 -42.4973 -42.4909 -42.4909 -42.4901 -42.4901 -41.8263 -41.8263 -41.7827 -41.7827 -41.7823 -41.7823 -41.4615 -41.4615 -41.4607 -41.4607 -41.4604 -41.4604 -41.3338 -41.3338 -13.0863 -13.0863 -8.8840 -8.8840 -8.8444 -8.8444 -8.7945 -8.7945 -1.8711 -1.8687 -1.4998 -1.4976 -1.4344 -1.4334 0.8466 0.8474 0.9764 0.9836 1.2263 1.2334 1.2832 1.2843 1.4837 1.4838 1.5360 1.5400 1.7435 1.7504 1.9000 1.9001 2.0296 2.0306 5.2094 5.2126 5.4520 5.4522 5.9812 5.9881 6.5633 6.5869 6.8720 6.8721 k = 0.5000 0.2887 0.4443 ( 21922 PWs) bands (ev): -42.4973 -42.4973 -42.4909 -42.4909 -42.4901 -42.4901 -41.8264 -41.8264 -41.7827 -41.7827 -41.7823 -41.7823 -41.4616 -41.4616 -41.4607 -41.4607 -41.4604 -41.4604 -41.3338 -41.3338 -13.0936 -13.0936 -8.8808 -8.8808 -8.8403 -8.8403 -8.7910 -8.7910 -1.8492 -1.8469 -1.4674 -1.4670 -1.4393 -1.4357 0.8276 0.8281 0.9629 0.9697 1.2230 1.2301 1.2675 1.2686 1.4750 1.4750 1.5353 1.5394 1.7301 1.7368 1.8942 1.8943 2.0211 2.0221 5.2182 5.2225 5.4587 5.4610 5.9958 6.0008 6.6077 6.6332 6.9212 6.9214 k = 0.5000 0.2887 0.4209 ( 21916 PWs) bands (ev): -42.4973 -42.4973 -42.4909 -42.4909 -42.4901 -42.4901 -41.8265 -41.8265 -41.7827 -41.7827 -41.7823 -41.7823 -41.4616 -41.4616 -41.4607 -41.4607 -41.4603 -41.4603 -41.3338 -41.3338 -13.1008 -13.1008 -8.8776 -8.8776 -8.8363 -8.8363 -8.7875 -8.7875 -1.8348 -1.8327 -1.4623 -1.4608 -1.4086 -1.4040 0.8083 0.8085 0.9505 0.9569 1.2203 1.2273 1.2519 1.2531 1.4664 1.4665 1.5337 1.5377 1.7178 1.7242 1.8885 1.8886 2.0127 2.0137 5.2202 5.2257 5.4561 5.4611 6.0197 6.0224 6.6504 6.6776 6.9691 6.9695 k = 0.5000 0.2887 0.3976 ( 21902 PWs) bands (ev): -42.4973 -42.4973 -42.4909 -42.4909 -42.4901 -42.4901 -41.8266 -41.8266 -41.7828 -41.7828 -41.7824 -41.7824 -41.4616 -41.4616 -41.4607 -41.4607 -41.4603 -41.4603 -41.3338 -41.3338 -13.1078 -13.1078 -8.8745 -8.8745 -8.8324 -8.8324 -8.7841 -8.7841 -1.8265 -1.8245 -1.4699 -1.4688 -1.3563 -1.3524 0.7888 0.7889 0.9391 0.9450 1.2179 1.2248 1.2366 1.2381 1.4580 1.4582 1.5309 1.5349 1.7068 1.7129 1.8829 1.8830 2.0043 2.0053 5.2168 5.2235 5.4439 5.4515 6.0512 6.0514 6.6913 6.7199 7.0150 7.0156 k = 0.5000 0.2887 0.3742 ( 21932 PWs) bands (ev): -42.4973 -42.4973 -42.4909 -42.4909 -42.4901 -42.4901 -41.8267 -41.8267 -41.7828 -41.7828 -41.7824 -41.7824 -41.4617 -41.4617 -41.4607 -41.4607 -41.4602 -41.4602 -41.3337 -41.3337 -13.1147 -13.1147 -8.8714 -8.8714 -8.8285 -8.8285 -8.7807 -8.7807 -1.8226 -1.8209 -1.4786 -1.4778 -1.2977 -1.2941 0.7692 0.7697 0.9286 0.9341 1.2147 1.2200 1.2245 1.2247 1.4499 1.4502 1.5270 1.5309 1.6972 1.7029 1.8774 1.8775 1.9961 1.9970 5.2091 5.2169 5.4233 5.4332 6.0849 6.0873 6.7306 6.7602 7.0584 7.0594 k = 0.5000 0.2887 0.3508 ( 21908 PWs) bands (ev): -42.4974 -42.4974 -42.4910 -42.4910 -42.4901 -42.4901 -41.8268 -41.8268 -41.7828 -41.7828 -41.7824 -41.7824 -41.4617 -41.4617 -41.4607 -41.4607 -41.4602 -41.4602 -41.3337 -41.3337 -13.1214 -13.1214 -8.8684 -8.8684 -8.8247 -8.8247 -8.7775 -8.7775 -1.8220 -1.8205 -1.4874 -1.4867 -1.2353 -1.2319 0.7500 0.7508 0.9190 0.9240 1.2056 1.2063 1.2182 1.2222 1.4421 1.4425 1.5220 1.5258 1.6890 1.6943 1.8722 1.8723 1.9880 1.9890 5.1978 5.2067 5.3964 5.4082 6.1197 6.1245 6.7687 6.7985 7.0989 7.1003 k = 0.5000 0.2887 0.3274 ( 21914 PWs) bands (ev): -42.4974 -42.4974 -42.4910 -42.4910 -42.4902 -42.4902 -41.8269 -41.8269 -41.7829 -41.7829 -41.7825 -41.7825 -41.4617 -41.4617 -41.4607 -41.4607 -41.4601 -41.4601 -41.3337 -41.3337 -13.1279 -13.1279 -8.8655 -8.8655 -8.8211 -8.8211 -8.7743 -8.7743 -1.8235 -1.8222 -1.4959 -1.4953 -1.1708 -1.1677 0.7313 0.7324 0.9101 0.9146 1.1924 1.1924 1.2166 1.2211 1.4347 1.4351 1.5160 1.5196 1.6823 1.6871 1.8671 1.8673 1.9802 1.9811 5.1832 5.1931 5.3652 5.3786 6.1524 6.1597 6.8061 6.8354 7.1361 7.1381 k = 0.5000 0.2887 0.3040 ( 21898 PWs) bands (ev): -42.4974 -42.4974 -42.4910 -42.4910 -42.4902 -42.4902 -41.8270 -41.8270 -41.7829 -41.7829 -41.7825 -41.7825 -41.4617 -41.4617 -41.4607 -41.4607 -41.4601 -41.4601 -41.3337 -41.3337 -13.1340 -13.1340 -8.8628 -8.8628 -8.8176 -8.8176 -8.7713 -8.7712 -1.8265 -1.8254 -1.5040 -1.5035 -1.1054 -1.1024 0.7133 0.7146 0.9018 0.9059 1.1790 1.1793 1.2161 1.2203 1.4276 1.4280 1.5091 1.5125 1.6769 1.6812 1.8623 1.8625 1.9727 1.9736 5.1656 5.1762 5.3319 5.3464 6.1806 6.1900 6.8433 6.8710 7.1697 7.1723 k = 0.5000 0.2887 0.2806 ( 21902 PWs) bands (ev): -42.4974 -42.4974 -42.4910 -42.4910 -42.4902 -42.4902 -41.8270 -41.8270 -41.7829 -41.7829 -41.7825 -41.7825 -41.4618 -41.4618 -41.4607 -41.4607 -41.4600 -41.4600 -41.3337 -41.3337 -13.1399 -13.1399 -8.8601 -8.8601 -8.8143 -8.8143 -8.7684 -8.7683 -1.8304 -1.8294 -1.5117 -1.5112 -1.0402 -1.0373 0.6961 0.6976 0.8942 0.8978 1.1663 1.1667 1.2160 1.2198 1.4209 1.4213 1.5015 1.5047 1.6726 1.6764 1.8577 1.8579 1.9655 1.9663 5.1449 5.1559 5.2984 5.3135 6.2026 6.2138 6.8805 6.9058 7.1997 7.2030 k = 0.5000 0.2887 0.2572 ( 21902 PWs) bands (ev): -42.4974 -42.4974 -42.4910 -42.4910 -42.4902 -42.4902 -41.8271 -41.8271 -41.7830 -41.7830 -41.7825 -41.7825 -41.4618 -41.4618 -41.4607 -41.4607 -41.4600 -41.4600 -41.3336 -41.3336 -13.1453 -13.1453 -8.8576 -8.8576 -8.8111 -8.8111 -8.7656 -8.7656 -1.8348 -1.8339 -1.5189 -1.5185 -0.9759 -0.9732 0.6797 0.6815 0.8871 0.8903 1.1544 1.1548 1.2162 1.2195 1.4146 1.4150 1.4935 1.4966 1.6694 1.6727 1.8534 1.8536 1.9587 1.9595 5.1209 5.1317 5.2668 5.2816 6.2175 6.2300 6.9174 6.9397 7.2262 7.2302 k = 0.5000 0.2887 0.2339 ( 21916 PWs) bands (ev): -42.4975 -42.4975 -42.4910 -42.4910 -42.4902 -42.4902 -41.8272 -41.8272 -41.7830 -41.7830 -41.7826 -41.7826 -41.4618 -41.4618 -41.4607 -41.4607 -41.4599 -41.4599 -41.3336 -41.3336 -13.1505 -13.1505 -8.8553 -8.8553 -8.8082 -8.8082 -8.7631 -8.7630 -1.8395 -1.8387 -1.5255 -1.5252 -0.9136 -0.9110 0.6644 0.6663 0.8806 0.8834 1.1434 1.1437 1.2166 1.2194 1.4087 1.4092 1.4853 1.4883 1.6669 1.6698 1.8494 1.8496 1.9523 1.9531 5.0939 5.1037 5.2384 5.2520 6.2256 6.2388 6.9533 6.9721 7.2495 7.2539 k = 0.5000 0.2887 0.2105 ( 21908 PWs) bands (ev): -42.4975 -42.4975 -42.4910 -42.4910 -42.4902 -42.4902 -41.8272 -41.8272 -41.7830 -41.7830 -41.7826 -41.7826 -41.4618 -41.4618 -41.4607 -41.4607 -41.4599 -41.4599 -41.3336 -41.3336 -13.1552 -13.1552 -8.8532 -8.8532 -8.8054 -8.8054 -8.7607 -8.7607 -1.8441 -1.8434 -1.5316 -1.5313 -0.8538 -0.8514 0.6503 0.6522 0.8745 0.8770 1.1332 1.1336 1.2171 1.2194 1.4033 1.4038 1.4772 1.4801 1.6652 1.6676 1.8458 1.8460 1.9464 1.9471 5.0644 5.0726 5.2139 5.2257 6.2276 6.2410 6.9872 7.0022 7.2700 7.2742 k = 0.5000 0.2887 0.1871 ( 21904 PWs) bands (ev): -42.4975 -42.4975 -42.4910 -42.4910 -42.4902 -42.4902 -41.8273 -41.8273 -41.7830 -41.7830 -41.7826 -41.7826 -41.4619 -41.4619 -41.4607 -41.4607 -41.4599 -41.4599 -41.3336 -41.3336 -13.1595 -13.1595 -8.8512 -8.8512 -8.8030 -8.8030 -8.7585 -8.7585 -1.8486 -1.8480 -1.5371 -1.5369 -0.7976 -0.7952 0.6373 0.6392 0.8690 0.8711 1.1240 1.1243 1.2176 1.2194 1.3985 1.3989 1.4693 1.4721 1.6639 1.6660 1.8425 1.8426 1.9410 1.9416 5.0332 5.0397 5.1931 5.2029 6.2250 6.2378 7.0178 7.0292 7.2878 7.2916 k = 0.5000 0.2887 0.1637 ( 21894 PWs) bands (ev): -42.4975 -42.4975 -42.4910 -42.4910 -42.4902 -42.4902 -41.8273 -41.8273 -41.7830 -41.7830 -41.7826 -41.7826 -41.4619 -41.4619 -41.4607 -41.4607 -41.4598 -41.4598 -41.3336 -41.3336 -13.1633 -13.1633 -8.8495 -8.8495 -8.8007 -8.8007 -8.7566 -8.7566 -1.8527 -1.8523 -1.5421 -1.5418 -0.7455 -0.7433 0.6255 0.6275 0.8640 0.8658 1.1158 1.1161 1.2181 1.2194 1.3941 1.3945 1.4621 1.4647 1.6630 1.6648 1.8395 1.8397 1.9362 1.9367 5.0017 5.0066 5.1757 5.1835 6.2191 6.2310 7.0444 7.0525 7.3031 7.3061 k = 0.5000 0.2887 0.1403 ( 21902 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4902 -42.4902 -41.8274 -41.8274 -41.7831 -41.7831 -41.7826 -41.7826 -41.4619 -41.4619 -41.4607 -41.4607 -41.4598 -41.4598 -41.3336 -41.3336 -13.1667 -13.1667 -8.8479 -8.8479 -8.7988 -8.7988 -8.7549 -8.7549 -1.8565 -1.8561 -1.5464 -1.5461 -0.6984 -0.6964 0.6152 0.6170 0.8596 0.8611 1.1086 1.1089 1.2186 1.2194 1.3903 1.3906 1.4555 1.4580 1.6624 1.6639 1.8369 1.8371 1.9319 1.9324 4.9714 4.9750 5.1610 5.1671 6.2114 6.2220 7.0664 7.0718 7.3159 7.3181 k = 0.5000 0.2887 0.1169 ( 21900 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4902 -42.4902 -41.8274 -41.8274 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4598 -41.4598 -41.3335 -41.3335 -13.1695 -13.1695 -8.8466 -8.8466 -8.7971 -8.7971 -8.7534 -8.7534 -1.8599 -1.8595 -1.5500 -1.5498 -0.6570 -0.6553 0.6063 0.6079 0.8557 0.8569 1.1024 1.1027 1.2189 1.2194 1.3871 1.3874 1.4497 1.4520 1.6621 1.6632 1.8347 1.8348 1.9282 1.9287 4.9435 4.9460 5.1488 5.1535 6.2031 6.2121 7.0840 7.0872 7.3263 7.3279 k = 0.5000 0.2887 0.0935 ( 21912 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4598 -41.4598 -41.3335 -41.3335 -13.1719 -13.1719 -8.8455 -8.8455 -8.7957 -8.7957 -8.7522 -8.7522 -1.8627 -1.8624 -1.5530 -1.5529 -0.6219 -0.6205 0.5989 0.6003 0.8525 0.8534 1.0974 1.0976 1.2192 1.2194 1.3845 1.3846 1.4450 1.4469 1.6619 1.6628 1.8329 1.8330 1.9252 1.9255 4.9191 4.9209 5.1390 5.1425 6.1951 6.2025 7.0973 7.0991 7.3345 7.3355 k = 0.5000 0.2887 0.0702 ( 21898 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4598 -41.4598 -41.3335 -41.3335 -13.1738 -13.1738 -8.8447 -8.8447 -8.7946 -8.7946 -8.7513 -8.7513 -1.8649 -1.8647 -1.5554 -1.5553 -0.5939 -0.5928 0.5931 0.5942 0.8500 0.8506 1.0935 1.0936 1.2193 1.2194 1.3824 1.3825 1.4413 1.4428 1.6618 1.6624 1.8315 1.8316 1.9229 1.9231 4.8993 4.9004 5.1315 5.1339 6.1884 6.1939 7.1071 7.1079 7.3406 7.3413 k = 0.5000 0.2887 0.0468 ( 21914 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4598 -41.4598 -41.3335 -41.3335 -13.1751 -13.1751 -8.8441 -8.8441 -8.7938 -8.7938 -8.7506 -8.7506 -1.8665 -1.8663 -1.5571 -1.5570 -0.5734 -0.5726 0.5889 0.5897 0.8481 0.8486 1.0907 1.0908 1.2193 1.2194 1.3809 1.3810 1.4387 1.4397 1.6617 1.6622 1.8305 1.8305 1.9212 1.9213 4.8846 4.8853 5.1262 5.1277 6.1834 6.1872 7.1136 7.1140 7.3449 7.3453 k = 0.5000 0.2887 0.0234 ( 21910 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1759 -13.1759 -8.8437 -8.8437 -8.7934 -8.7934 -8.7502 -8.7502 -1.8674 -1.8674 -1.5581 -1.5580 -0.5608 -0.5605 0.5865 0.5869 0.8471 0.8473 1.0890 1.0890 1.2194 1.2194 1.3800 1.3801 1.4372 1.4378 1.6618 1.6620 1.8299 1.8299 1.9202 1.9202 4.8757 4.8760 5.1231 5.1239 6.1807 6.1825 7.1174 7.1175 7.3474 7.3476 k = 0.5000 0.2887-0.0000 ( 21898 PWs) bands (ev): -42.4975 -42.4975 -42.4911 -42.4911 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7827 -41.7827 -41.4619 -41.4619 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1762 -13.1762 -8.8436 -8.8436 -8.7932 -8.7932 -8.7500 -8.7500 -1.8677 -1.8677 -1.5584 -1.5584 -0.5565 -0.5565 0.5858 0.5858 0.8468 0.8468 1.0884 1.0884 1.2194 1.2194 1.3798 1.3798 1.4369 1.4369 1.6619 1.6619 1.8297 1.8297 1.9199 1.9199 4.8728 4.8728 5.1224 5.1224 6.1804 6.1804 7.1187 7.1187 7.3483 7.3483 k = 0.3333 0.5774-0.0000 ( 21870 PWs) bands (ev): -42.4974 -42.4974 -42.4912 -42.4912 -42.4903 -42.4903 -41.8276 -41.8276 -41.7831 -41.7831 -41.7826 -41.7826 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1761 -13.1761 -8.8478 -8.8477 -8.7909 -8.7909 -8.7490 -8.7489 -1.8569 -1.8299 -1.5711 -1.5372 -0.5544 -0.5523 0.6693 0.6739 0.8197 0.8237 0.8943 0.8946 1.3398 1.3593 1.3858 1.3901 1.4917 1.4920 1.5806 1.5807 1.7648 1.7689 1.8454 1.8455 5.1901 5.1917 5.2195 5.2348 5.9848 6.0166 6.8974 6.9445 7.1812 7.1814 k = 0.3333 0.5774 0.0234 ( 21864 PWs) bands (ev): -42.4974 -42.4974 -42.4912 -42.4912 -42.4903 -42.4903 -41.8276 -41.8276 -41.7831 -41.7831 -41.7826 -41.7826 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1758 -13.1758 -8.8479 -8.8478 -8.7911 -8.7911 -8.7491 -8.7490 -1.8566 -1.8297 -1.5707 -1.5368 -0.5586 -0.5565 0.6699 0.6745 0.8207 0.8247 0.8944 0.8947 1.3400 1.3594 1.3860 1.3904 1.4921 1.4925 1.5807 1.5808 1.7653 1.7694 1.8458 1.8459 5.1933 5.1949 5.2201 5.2353 5.9854 6.0171 6.8963 6.9433 7.1820 7.1821 k = 0.3333 0.5774 0.0468 ( 21870 PWs) bands (ev): -42.4974 -42.4974 -42.4912 -42.4912 -42.4903 -42.4903 -41.8276 -41.8276 -41.7831 -41.7831 -41.7826 -41.7826 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1750 -13.1750 -8.8483 -8.8482 -8.7915 -8.7915 -8.7495 -8.7494 -1.8557 -1.8290 -1.5696 -1.5358 -0.5711 -0.5690 0.6719 0.6765 0.8239 0.8279 0.8946 0.8948 1.3408 1.3597 1.3868 1.3913 1.4933 1.4942 1.5811 1.5812 1.7667 1.7707 1.8470 1.8470 5.2028 5.2041 5.2220 5.2369 5.9870 6.0185 6.8931 6.9398 7.1841 7.1842 k = 0.3333 0.5774 0.0702 ( 21876 PWs) bands (ev): -42.4974 -42.4974 -42.4912 -42.4912 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7826 -41.7826 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1737 -13.1737 -8.8489 -8.8488 -8.7923 -8.7923 -8.7502 -8.7501 -1.8543 -1.8278 -1.5676 -1.5341 -0.5916 -0.5895 0.6751 0.6797 0.8292 0.8332 0.8949 0.8951 1.3420 1.3603 1.3880 1.3928 1.4954 1.4970 1.5819 1.5819 1.7690 1.7729 1.8490 1.8491 5.2178 5.2183 5.2264 5.2394 5.9896 6.0209 6.8876 6.9339 7.1878 7.1879 k = 0.3333 0.5774 0.0935 ( 21900 PWs) bands (ev): -42.4974 -42.4974 -42.4912 -42.4912 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7826 -41.7826 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1718 -13.1718 -8.8497 -8.8496 -8.7934 -8.7934 -8.7511 -8.7510 -1.8524 -1.8262 -1.5649 -1.5317 -0.6198 -0.6176 0.6797 0.6842 0.8363 0.8403 0.8954 0.8956 1.3437 1.3612 1.3897 1.3948 1.4983 1.5008 1.5828 1.5829 1.7720 1.7759 1.8517 1.8520 5.2262 5.2393 5.2425 5.2428 5.9932 6.0240 6.8798 6.9256 7.1931 7.1933 k = 0.3333 0.5774 0.1169 ( 21888 PWs) bands (ev): -42.4974 -42.4974 -42.4912 -42.4912 -42.4903 -42.4903 -41.8275 -41.8275 -41.7831 -41.7831 -41.7826 -41.7826 -41.4620 -41.4620 -41.4607 -41.4607 -41.4597 -41.4597 -41.3335 -41.3335 -13.1695 -13.1695 -8.8508 -8.8507 -8.7949 -8.7949 -8.7523 -8.7522 -1.8500 -1.8241 -1.5614 -1.5286 -0.6550 -0.6528 0.6855 0.6900 0.8451 0.8492 0.8961 0.8962 1.3459 1.3625 1.3918 1.3974 1.5019 1.5055 1.5841 1.5843 1.7758 1.7795 1.8553 1.8558 5.2312 5.2469 5.2649 5.2676 5.9975 6.0278 6.8697 6.9147 7.2002 7.2007 k = 0.3333 0.5774 0.1403 ( 21873 PWs) bands (ev): -42.4974 -42.4974 -42.4912 -42.4912 -42.4903 -42.4903 -41.8274 -41.8274 -41.7831 -41.7831 -41.7826 -41.7826 -41.4619 -41.4619 -41.4607 -41.4607 -41.4597 -41.4597 -41.3336 -41.3336 -13.1666 -13.1666 -8.8521 -8.8520 -8.7966 -8.7966 -8.7537 -8.7536 -1.8472 -1.8217 -1.5573 -1.5249 -0.6966 -0.6944 0.6925 0.6971 0.8556 0.8597 0.8970 0.8970 1.3487 1.3641 1.3943 1.4004 1.5061 1.5110 1.5858 1.5860 1.7801 1.7836 1.8597 1.8605 5.2364 5.2517 5.2944 5.2969 6.0025 6.0321 6.8572 6.9012 7.2096 7.2104 k = 0.3333 0.5774 0.1637 ( 21879 PWs) bands (ev): -42.4974 -42.4974 -42.4911 -42.4911 -42.4902 -42.4902 -41.8274 -41.8274 -41.7830 -41.7830 -41.7826 -41.7826 -41.4619 -41.4619 -41.4607 -41.4607 -41.4598 -41.4598 -41.3336 -41.3336 -13.1632 -13.1632 -8.8536 -8.8535 -8.7986 -8.7986 -8.7554 -8.7553 -1.8439 -1.8190 -1.5524 -1.5206 -0.7440 -0.7417 0.7009 0.7054 0.8675 0.8715 0.8980 0.8981 1.3519 1.3661 1.3971 1.4039 1.5110 1.5173 1.5878 1.5882 1.7849 1.7881 1.8652 1.8662 5.2421 5.2570 5.3267 5.3290 6.0079 6.0367 6.8422 6.8850 7.2214 7.2226 k = 0.3333 0.5774 0.1871 ( 21861 PWs) bands (ev): -42.4973 -42.4973 -42.4911 -42.4911 -42.4902 -42.4902 -41.8273 -41.8273 -41.7830 -41.7830 -41.7825 -41.7825 -41.4619 -41.4619 -41.4607 -41.4607 -41.4598 -41.4598 -41.3336 -41.3336 -13.1594 -13.1594 -8.8553 -8.8552 -8.8009 -8.8009 -8.7573 -8.7572 -1.8403 -1.8161 -1.5468 -1.5156 -0.7963 -0.7940 0.7104 0.7149 0.8806 0.8847 0.8994 0.8996 1.3557 1.3685 1.4002 1.4077 1.5165 1.5243 1.5903 1.5909 1.7900 1.7928 1.8715 1.8730 5.2480 5.2625 5.3605 5.3627 6.0133 6.0412 6.8245 6.8659 7.2361 7.2379 k = 0.3333 0.5774 0.2105 ( 21852 PWs) bands (ev): -42.4973 -42.4973 -42.4911 -42.4911 -42.4902 -42.4902 -41.8273 -41.8273 -41.7830 -41.7830 -41.7825 -41.7825 -41.4619 -41.4619 -41.4607 -41.4607 -41.4598 -41.4598 -41.3336 -41.3336 -13.1551 -13.1551 -8.8572 -8.8572 -8.8034 -8.8034 -8.7594 -8.7593 -1.8366 -1.8130 -1.5405 -1.5101 -0.8529 -0.8505 0.7211 0.7256 0.8948 0.8985 0.9014 0.9014 1.3599 1.3714 1.4034 1.4118 1.5224 1.5318 1.5933 1.5941 1.7951 1.7977 1.8789 1.8808 5.2540 5.2680 5.3946 5.3968 6.0187 6.0455 6.8042 6.8440 7.2536 7.2567 k = 0.3333 0.5774 0.2339 ( 21894 PWs) bands (ev): -42.4973 -42.4973 -42.4911 -42.4911 -42.4902 -42.4902 -41.8272 -41.8272 -41.7830 -41.7830 -41.7825 -41.7825 -41.4619 -41.4619 -41.4607 -41.4607 -41.4599 -41.4599 -41.3336 -41.3336 -13.1504 -13.1504 -8.8593 -8.8593 -8.8062 -8.8062 -8.7617 -8.7616 -1.8327 -1.8099 -1.5337 -1.5040 -0.9129 -0.9104 0.7330 0.7375 0.9028 0.9036 0.9101 0.9145 1.3647 1.3747 1.4068 1.4161 1.5287 1.5397 1.5968 1.5979 1.8003 1.8026 1.8874 1.8896 5.2598 5.2734 5.4277 5.4298 6.0234 6.0490 6.7812 6.8192 7.2729 7.2795 k = 0.3333 0.5774 0.2572 ( 21891 PWs) bands (ev): -42.4973 -42.4973 -42.4911 -42.4911 -42.4902 -42.4902 -41.8272 -41.8272 -41.7829 -41.7829 -41.7825 -41.7825 -41.4618 -41.4618 -41.4607 -41.4607 -41.4599 -41.4599 -41.3336 -41.3336 -13.1453 -13.1453 -8.8616 -8.8616 -8.8092 -8.8092 -8.7642 -8.7641 -1.8288 -1.8069 -1.5262 -1.4973 -0.9755 -0.9730 0.7460 0.7506 0.9053 0.9063 0.9263 0.9307 1.3699 1.3785 1.4103 1.4206 1.5353 1.5480 1.6009 1.6024 1.8055 1.8073 1.8968 1.8995 5.2652 5.2782 5.4586 5.4606 6.0273 6.0515 6.7555 6.7915 7.2831 7.3065 k = 0.3333 0.5774 0.2806 ( 21897 PWs) bands (ev): -42.4973 -42.4973 -42.4911 -42.4911 -42.4902 -42.4902 -41.8271 -41.8271 -41.7829 -41.7829 -41.7825 -41.7825 -41.4618 -41.4618 -41.4607 -41.4607 -41.4600 -41.4600 -41.3336 -41.3336 -13.1398 -13.1398 -8.8640 -8.8640 -8.8124 -8.8124 -8.7669 -8.7668 -1.8253 -1.8043 -1.5182 -1.4902 -1.0401 -1.0373 0.7601 0.7647 0.9082 0.9095 0.9434 0.9478 1.3755 1.3827 1.4138 1.4251 1.5422 1.5565 1.6057 1.6075 1.8104 1.8119 1.9072 1.9104 5.2698 5.2822 5.4860 5.4879 6.0298 6.0524 6.7271 6.7609 7.2587 7.3087 k = 0.3333 0.5774 0.3040 ( 21885 PWs) bands (ev): -42.4973 -42.4973 -42.4911 -42.4911 -42.4902 -42.4902 -41.8270 -41.8270 -41.7829 -41.7829 -41.7824 -41.7824 -41.4618 -41.4618 -41.4607 -41.4607 -41.4600 -41.4600 -41.3337 -41.3337 -13.1340 -13.1340 -8.8666 -8.8666 -8.8158 -8.8158 -8.7697 -8.7696 -1.8222 -1.8023 -1.5097 -1.4826 -1.1056 -1.1026 0.7753 0.7799 0.9115 0.9132 0.9613 0.9657 1.3815 1.3873 1.4171 1.4296 1.5493 1.5651 1.6111 1.6133 1.8151 1.8163 1.9186 1.9222 5.2734 5.2852 5.5089 5.5107 6.0304 6.0514 6.6961 6.7277 7.2201 7.2674 k = 0.3333 0.5774 0.3274 ( 21846 PWs) bands (ev): -42.4972 -42.4972 -42.4911 -42.4911 -42.4902 -42.4902 -41.8269 -41.8269 -41.7829 -41.7829 -41.7824 -41.7824 -41.4618 -41.4618 -41.4607 -41.4607 -41.4601 -41.4601 -41.3337 -41.3337 -13.1278 -13.1278 -8.8693 -8.8693 -8.8194 -8.8194 -8.7727 -8.7726 -1.8201 -1.8013 -1.5008 -1.4745 -1.1713 -1.1679 0.7915 0.7961 0.9155 0.9175 0.9799 0.9844 1.3879 1.3923 1.4204 1.4340 1.5565 1.5739 1.6173 1.6198 1.8195 1.8204 1.9309 1.9349 5.2756 5.2867 5.5265 5.5282 6.0288 6.0479 6.6627 6.6920 7.1792 7.2263 k = 0.3333 0.5774 0.3508 ( 21864 PWs) bands (ev): -42.4972 -42.4972 -42.4911 -42.4911 -42.4902 -42.4902 -41.8268 -41.8268 -41.7828 -41.7828 -41.7824 -41.7824 -41.4617 -41.4617 -41.4607 -41.4607 -41.4601 -41.4601 -41.3337 -41.3337 -13.1214 -13.1214 -8.8722 -8.8721 -8.8231 -8.8231 -8.7758 -8.7757 -1.8194 -1.8019 -1.4915 -1.4661 -1.2361 -1.2322 0.8087 0.8133 0.9200 0.9225 0.9992 1.0038 1.3946 1.3976 1.4235 1.4383 1.5638 1.5826 1.6241 1.6271 1.8237 1.8242 1.9440 1.9483 5.2761 5.2865 5.5383 5.5399 6.0243 6.0415 6.6270 6.6540 7.1385 7.1861 k = 0.3333 0.5774 0.3742 ( 21852 PWs) bands (ev): -42.4972 -42.4972 -42.4910 -42.4910 -42.4901 -42.4901 -41.8267 -41.8267 -41.7828 -41.7828 -41.7823 -41.7823 -41.4617 -41.4617 -41.4607 -41.4607 -41.4602 -41.4602 -41.3337 -41.3337 -13.1147 -13.1147 -8.8751 -8.8750 -8.8270 -8.8270 -8.7790 -8.7790 -1.8208 -1.8048 -1.4818 -1.4573 -1.2989 -1.2944 0.8267 0.8315 0.9251 0.9282 1.0192 1.0238 1.4015 1.4032 1.4263 1.4424 1.5712 1.5913 1.6317 1.6351 1.8274 1.8277 1.9578 1.9625 5.2747 5.2843 5.5440 5.5455 6.0165 6.0316 6.5894 6.6141 7.0990 7.1474 k = 0.3333 0.5774 0.3976 ( 21888 PWs) bands (ev): -42.4972 -42.4972 -42.4910 -42.4910 -42.4901 -42.4901 -41.8267 -41.8267 -41.7828 -41.7828 -41.7823 -41.7823 -41.4617 -41.4617 -41.4607 -41.4607 -41.4602 -41.4602 -41.3338 -41.3338 -13.1078 -13.1078 -8.8781 -8.8781 -8.8310 -8.8310 -8.7823 -8.7823 -1.8254 -1.8111 -1.4718 -1.4483 -1.3584 -1.3529 0.8456 0.8505 0.9308 0.9346 1.0397 1.0445 1.4086 1.4090 1.4289 1.4462 1.5784 1.5998 1.6400 1.6438 1.8308 1.8309 1.9722 1.9772 5.2710 5.2799 5.5436 5.5449 6.0050 6.0181 6.5500 6.5726 7.0613 7.1108 k = 0.3333 0.5774 0.4209 ( 21867 PWs) bands (ev): -42.4972 -42.4972 -42.4910 -42.4910 -42.4901 -42.4901 -41.8266 -41.8266 -41.7827 -41.7827 -41.7823 -41.7823 -41.4616 -41.4616 -41.4607 -41.4607 -41.4603 -41.4603 -41.3338 -41.3338 -13.1007 -13.1007 -8.8812 -8.8811 -8.8350 -8.8350 -8.7857 -8.7856 -1.8344 -1.8221 -1.4615 -1.4390 -1.4127 -1.4061 0.8653 0.8703 0.9372 0.9417 1.0609 1.0658 1.4151 1.4158 1.4312 1.4497 1.5856 1.6081 1.6489 1.6531 1.8336 1.8337 1.9872 1.9925 5.2649 5.2730 5.5373 5.5385 5.9895 6.0006 6.5093 6.5298 7.0261 7.0765 k = 0.3333 0.5774 0.4443 ( 21885 PWs) bands (ev): -42.4972 -42.4972 -42.4910 -42.4910 -42.4901 -42.4901 -41.8265 -41.8265 -41.7827 -41.7827 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4603 -41.4603 -41.3338 -41.3338 -13.0935 -13.0935 -8.8843 -8.8842 -8.8391 -8.8391 -8.7891 -8.7891 -1.8494 -1.8392 -1.4602 -1.4522 -1.4511 -1.4295 0.8857 0.8909 0.9443 0.9496 1.0826 1.0875 1.4212 1.4230 1.4332 1.4530 1.5926 1.6162 1.6585 1.6631 1.8360 1.8362 2.0026 2.0082 5.2562 5.2634 5.5255 5.5266 5.9699 5.9790 6.4675 6.4861 6.9935 7.0447 k = 0.3333 0.5774 0.4677 ( 21915 PWs) bands (ev): -42.4971 -42.4971 -42.4910 -42.4910 -42.4901 -42.4901 -41.8264 -41.8264 -41.7827 -41.7827 -41.7822 -41.7822 -41.4616 -41.4616 -41.4607 -41.4607 -41.4604 -41.4604 -41.3338 -41.3338 -13.0863 -13.0863 -8.8874 -8.8874 -8.8432 -8.8432 -8.7925 -8.7925 -1.8717 -1.8638 -1.4990 -1.4896 -1.4406 -1.4199 0.9067 0.9121 0.9521 0.9582 1.1048 1.1098 1.4273 1.4302 1.4350 1.4558 1.5995 1.6238 1.6686 1.6735 1.8378 1.8383 2.0184 2.0243 5.2447 5.2512 5.5087 5.5097 5.9462 5.9535 6.4249 6.4418 6.9636 7.0155 k = 0.3333 0.5774 0.4911 ( 21918 PWs) bands (ev): -42.4971 -42.4971 -42.4910 -42.4910 -42.4901 -42.4901 -41.8263 -41.8263 -41.7826 -41.7826 -41.7822 -41.7822 -41.4615 -41.4615 -41.4607 -41.4607 -41.4605 -41.4605 -41.3339 -41.3339 -13.0789 -13.0789 -8.8905 -8.8905 -8.8474 -8.8474 -8.7960 -8.7960 -1.9019 -1.8961 -1.5285 -1.5178 -1.4300 -1.4101 0.9283 0.9340 0.9605 0.9677 1.1275 1.1326 1.4335 1.4364 1.4373 1.4583 1.6061 1.6311 1.6791 1.6844 1.8392 1.8398 2.0345 2.0406 5.2306 5.2362 5.4875 5.4885 5.9185 5.9242 6.3819 6.3972 6.9363 6.9885 k = 0.3333 0.5774 0.5145 ( 21930 PWs) bands (ev): -42.4971 -42.4971 -42.4910 -42.4910 -42.4901 -42.4901 -41.8262 -41.8262 -41.7826 -41.7826 -41.7821 -41.7821 -41.4615 -41.4615 -41.4607 -41.4607 -41.4605 -41.4605 -41.3339 -41.3339 -13.0716 -13.0716 -8.8937 -8.8937 -8.8515 -8.8515 -8.7994 -8.7994 -1.9394 -1.9352 -1.5489 -1.5373 -1.4194 -1.4004 0.9503 0.9564 0.9695 0.9778 1.1505 1.1557 1.4375 1.4395 1.4443 1.4605 1.6124 1.6379 1.6900 1.6956 1.8400 1.8407 2.0508 2.0571 5.2137 5.2186 5.4627 5.4636 5.8873 5.8916 6.3387 6.3526 6.9110 6.9632 k = 0.3333 0.5774 0.5379 ( 21927 PWs) bands (ev): -42.4971 -42.4971 -42.4909 -42.4909 -42.4900 -42.4900 -41.8261 -41.8261 -41.7826 -41.7826 -41.7821 -41.7821 -41.4615 -41.4615 -41.4607 -41.4607 -41.4606 -41.4606 -41.3339 -41.3339 -13.0643 -13.0643 -8.8968 -8.8968 -8.8555 -8.8555 -8.8028 -8.8028 -1.9825 -1.9796 -1.5618 -1.5497 -1.4089 -1.3907 0.9728 0.9792 0.9792 0.9887 1.1738 1.1791 1.4383 1.4453 1.4510 1.4623 1.6185 1.6442 1.7012 1.7071 1.8403 1.8411 2.0671 2.0737 5.1944 5.1985 5.4348 5.4356 5.8530 5.8563 6.2956 6.3082 6.8872 6.9388 k = 0.3333 0.5774 0.5613 ( 21918 PWs) bands (ev): -42.4971 -42.4971 -42.4909 -42.4909 -42.4900 -42.4900 -41.8260 -41.8260 -41.7825 -41.7825 -41.7821 -41.7821 -41.4614 -41.4614 -41.4607 -41.4607 -41.4606 -41.4606 -41.3339 -41.3339 -13.0570 -13.0570 -8.8998 -8.8998 -8.8596 -8.8596 -8.8062 -8.8062 -2.0292 -2.0271 -1.5690 -1.5566 -1.3985 -1.3810 0.9895 0.9955 1.0003 1.0025 1.1974 1.2028 1.4387 1.4507 1.4574 1.4639 1.6242 1.6499 1.7125 1.7187 1.8399 1.8408 2.0834 2.0902 5.1728 5.1761 5.4045 5.4052 5.8164 5.8187 6.2529 6.2642 6.8640 6.9142 k = 0.3333 0.5774 0.5846 ( 21942 PWs) bands (ev): -42.4970 -42.4970 -42.4909 -42.4909 -42.4900 -42.4900 -41.8259 -41.8259 -41.7825 -41.7825 -41.7820 -41.7820 -41.4614 -41.4614 -41.4607 -41.4607 -41.4607 -41.4607 -41.3340 -41.3340 -13.0499 -13.0499 -8.9028 -8.9028 -8.8635 -8.8635 -8.8095 -8.8094 -2.0777 -2.0762 -1.5720 -1.5596 -1.3883 -1.3716 1.0003 1.0126 1.0185 1.0259 1.2211 1.2266 1.4388 1.4555 1.4634 1.4653 1.6296 1.6550 1.7239 1.7303 1.8389 1.8399 2.0997 2.1066 5.1492 5.1519 5.3725 5.3731 5.7780 5.7797 6.2107 6.2209 6.8403 6.8881 k = 0.3333 0.5774 0.6080 ( 21918 PWs) bands (ev): -42.4970 -42.4970 -42.4909 -42.4909 -42.4900 -42.4900 -41.8258 -41.8258 -41.7825 -41.7825 -41.7820 -41.7820 -41.4614 -41.4614 -41.4607 -41.4607 -41.4607 -41.4607 -41.3340 -41.3340 -13.0430 -13.0430 -8.9057 -8.9057 -8.8673 -8.8673 -8.8126 -8.8126 -2.1266 -2.1255 -1.5721 -1.5600 -1.3784 -1.3623 1.0116 1.0254 1.0415 1.0496 1.2450 1.2506 1.4385 1.4590 1.4671 1.4689 1.6346 1.6596 1.7353 1.7419 1.8373 1.8383 2.1157 2.1229 5.1240 5.1262 5.3393 5.3399 5.7386 5.7398 6.1693 6.1786 6.8151 6.8592 k = 0.3333 0.5774 0.6314 ( 21900 PWs) bands (ev): -42.4970 -42.4970 -42.4909 -42.4909 -42.4900 -42.4900 -41.8257 -41.8257 -41.7824 -41.7824 -41.7820 -41.7820 -41.4613 -41.4613 -41.4608 -41.4608 -41.4607 -41.4607 -41.3340 -41.3340 -13.0363 -13.0363 -8.9085 -8.9085 -8.8710 -8.8710 -8.8157 -8.8157 -2.1748 -2.1740 -1.5703 -1.5585 -1.3688 -1.3533 1.0233 1.0388 1.0646 1.0734 1.2688 1.2745 1.4378 1.4606 1.4699 1.4739 1.6393 1.6635 1.7465 1.7533 1.8350 1.8361 2.1314 2.1388 5.0977 5.0993 5.3056 5.3061 5.6989 5.6997 6.1290 6.1373 6.7874 6.8266 k = 0.3333 0.5774 0.6548 ( 21915 PWs) bands (ev): -42.4970 -42.4970 -42.4909 -42.4909 -42.4900 -42.4900 -41.8256 -41.8256 -41.7824 -41.7824 -41.7819 -41.7819 -41.4613 -41.4613 -41.4608 -41.4608 -41.4607 -41.4607 -41.3340 -41.3340 -13.0298 -13.0298 -8.9112 -8.9112 -8.8745 -8.8745 -8.8187 -8.8187 -2.2215 -2.2209 -1.5673 -1.5557 -1.3596 -1.3446 1.0353 1.0525 1.0875 1.0971 1.2924 1.2982 1.4366 1.4605 1.4733 1.4783 1.6436 1.6668 1.7575 1.7645 1.8319 1.8331 2.1467 2.1542 5.0706 5.0718 5.2718 5.2723 5.6593 5.6600 6.0901 6.0974 6.7569 6.7903 k = 0.3333 0.5774 0.6782 ( 21945 PWs) bands (ev): -42.4970 -42.4970 -42.4909 -42.4908 -42.4900 -42.4900 -41.8256 -41.8256 -41.7824 -41.7824 -41.7819 -41.7819 -41.4613 -41.4613 -41.4609 -41.4609 -41.4607 -41.4607 -41.3341 -41.3341 -13.0236 -13.0236 -8.9138 -8.9138 -8.8778 -8.8778 -8.8215 -8.8215 -2.2661 -2.2657 -1.5634 -1.5522 -1.3508 -1.3362 1.0475 1.0665 1.1101 1.1207 1.3158 1.3218 1.4349 1.4594 1.4766 1.4822 1.6475 1.6695 1.7682 1.7753 1.8282 1.8294 2.1614 2.1692 5.0433 5.0442 5.2385 5.2389 5.6207 5.6212 6.0527 6.0592 6.7238 6.7513 k = 0.3333 0.5774 0.7016 ( 21945 PWs) bands (ev): -42.4969 -42.4969 -42.4908 -42.4908 -42.4900 -42.4900 -41.8255 -41.8255 -41.7824 -41.7824 -41.7819 -41.7819 -41.4612 -41.4612 -41.4609 -41.4609 -41.4607 -41.4607 -41.3341 -41.3341 -13.0178 -13.0178 -8.9162 -8.9162 -8.8810 -8.8810 -8.8241 -8.8241 -2.3083 -2.3079 -1.5591 -1.5482 -1.3425 -1.3283 1.0597 1.0807 1.1325 1.1440 1.3388 1.3449 1.4328 1.4573 1.4796 1.4853 1.6510 1.6717 1.7784 1.7856 1.8239 1.8250 2.1756 2.1835 5.0163 5.0169 5.2062 5.2065 5.5834 5.5840 6.0171 6.0228 6.6892 6.7112 k = 0.3333 0.5774 0.7250 ( 21945 PWs) bands (ev): -42.4969 -42.4969 -42.4908 -42.4908 -42.4899 -42.4899 -41.8254 -41.8254 -41.7823 -41.7823 -41.7819 -41.7819 -41.4612 -41.4612 -41.4610 -41.4610 -41.4607 -41.4607 -41.3341 -41.3341 -13.0123 -13.0123 -8.9184 -8.9184 -8.8839 -8.8839 -8.8266 -8.8266 -2.3476 -2.3473 -1.5546 -1.5440 -1.3347 -1.3210 1.0718 1.0948 1.1543 1.1670 1.3612 1.3675 1.4300 1.4544 1.4820 1.4879 1.6542 1.6733 1.7880 1.7954 1.8189 1.8200 2.1890 2.1970 4.9898 4.9902 5.1751 5.1754 5.5480 5.5486 5.9836 5.9885 6.6541 6.6714 k = 0.3333 0.5774 0.7483 ( 21915 PWs) bands (ev): -42.4969 -42.4969 -42.4908 -42.4908 -42.4899 -42.4899 -41.8254 -41.8254 -41.7823 -41.7823 -41.7818 -41.7818 -41.4612 -41.4612 -41.4610 -41.4610 -41.4607 -41.4607 -41.3341 -41.3341 -13.0073 -13.0073 -8.9205 -8.9205 -8.8867 -8.8867 -8.8289 -8.8288 -2.3839 -2.3836 -1.5501 -1.5398 -1.3275 -1.3141 1.0837 1.1087 1.1755 1.1896 1.3829 1.3894 1.4267 1.4506 1.4839 1.4898 1.6571 1.6745 1.7970 1.8045 1.8135 1.8145 2.2015 2.2097 4.9645 4.9648 5.1458 5.1461 5.5148 5.5156 5.9525 5.9566 6.6199 6.6333 k = 0.3333 0.5774 0.7717 ( 21927 PWs) bands (ev): -42.4969 -42.4969 -42.4908 -42.4908 -42.4899 -42.4899 -41.8253 -41.8253 -41.7823 -41.7823 -41.7818 -41.7818 -41.4612 -41.4612 -41.4610 -41.4610 -41.4607 -41.4607 -41.3341 -41.3341 -13.0026 -13.0026 -8.9224 -8.9224 -8.8891 -8.8891 -8.8309 -8.8309 -2.4168 -2.4165 -1.5457 -1.5357 -1.3209 -1.3078 1.0951 1.1223 1.1960 1.2115 1.4035 1.4103 1.4230 1.4459 1.4853 1.4911 1.6596 1.6753 1.8054 1.8073 1.8084 1.8131 2.2130 2.2213 4.9408 4.9410 5.1186 5.1188 5.4843 5.4853 5.9240 5.9273 6.5876 6.5978 k = 0.3333 0.5774 0.7951 ( 21936 PWs) bands (ev): -42.4969 -42.4969 -42.4908 -42.4908 -42.4899 -42.4899 -41.8253 -41.8253 -41.7823 -41.7823 -41.7818 -41.7818 -41.4612 -41.4612 -41.4611 -41.4611 -41.4607 -41.4607 -41.3341 -41.3341 -12.9985 -12.9985 -8.9241 -8.9241 -8.8913 -8.8913 -8.8328 -8.8328 -2.4461 -2.4460 -1.5416 -1.5318 -1.3151 -1.3022 1.1060 1.1351 1.2156 1.2328 1.4170 1.4245 1.4301 1.4404 1.4860 1.4919 1.6618 1.6757 1.8011 1.8021 1.8129 1.8207 2.2235 2.2319 4.9189 4.9190 5.0939 5.0940 5.4567 5.4579 5.8982 5.9008 6.5578 6.5654 k = 0.3333 0.5774 0.8185 ( 21939 PWs) bands (ev): -42.4969 -42.4969 -42.4908 -42.4908 -42.4899 -42.4899 -41.8252 -41.8252 -41.7822 -41.7822 -41.7818 -41.7818 -41.4611 -41.4611 -41.4611 -41.4611 -41.4607 -41.4607 -41.3341 -41.3341 -12.9948 -12.9948 -8.9256 -8.9256 -8.8933 -8.8933 -8.8344 -8.8344 -2.4719 -2.4717 -1.5379 -1.5283 -1.3099 -1.2972 1.1160 1.1471 1.2341 1.2532 1.4126 1.4339 1.4418 1.4485 1.4863 1.4922 1.6636 1.6759 1.7947 1.7955 1.8196 1.8274 2.2328 2.2414 4.8992 4.8993 5.0718 5.0719 5.4323 5.4337 5.8755 5.8775 6.5312 6.5367 k = 0.3333 0.5774 0.8419 ( 21945 PWs) bands (ev): -42.4969 -42.4969 -42.4908 -42.4908 -42.4899 -42.4899 -41.8252 -41.8252 -41.7822 -41.7822 -41.7818 -41.7818 -41.4611 -41.4611 -41.4611 -41.4611 -41.4607 -41.4607 -41.3342 -41.3342 -12.9917 -12.9917 -8.9269 -8.9269 -8.8950 -8.8950 -8.8358 -8.8358 -2.4938 -2.4937 -1.5347 -1.5252 -1.3055 -1.2929 1.1249 1.1579 1.2514 1.2725 1.4070 1.4266 1.4581 1.4651 1.4862 1.4922 1.6652 1.6760 1.7884 1.7891 1.8253 1.8332 2.2409 2.2495 4.8820 4.8822 5.0527 5.0528 5.4112 5.4128 5.8560 5.8573 6.5082 6.5120 k = 0.3333 0.5774 0.8653 ( 21975 PWs) bands (ev): -42.4969 -42.4969 -42.4908 -42.4908 -42.4899 -42.4899 -41.8252 -41.8252 -41.7822 -41.7822 -41.7818 -41.7818 -41.4612 -41.4612 -41.4611 -41.4611 -41.4607 -41.4607 -41.3342 -41.3342 -12.9891 -12.9891 -8.9279 -8.9279 -8.8963 -8.8963 -8.8370 -8.8370 -2.5119 -2.5118 -1.5320 -1.5226 -1.3018 -1.2894 1.1326 1.1673 1.2671 1.2907 1.4009 1.4185 1.4723 1.4795 1.4858 1.4919 1.6665 1.6759 1.7825 1.7831 1.8301 1.8381 2.2476 2.2563 4.8676 4.8679 5.0367 5.0368 5.3938 5.3956 5.8398 5.8407 6.4890 6.4916 k = 0.3333 0.5774 0.8887 ( 21948 PWs) bands (ev): -42.4969 -42.4969 -42.4908 -42.4908 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7817 -41.7817 -41.4612 -41.4612 -41.4611 -41.4611 -41.4607 -41.4607 -41.3342 -41.3342 -12.9870 -12.9870 -8.9287 -8.9287 -8.8974 -8.8974 -8.8379 -8.8379 -2.5261 -2.5259 -1.5298 -1.5205 -1.2989 -1.2866 1.1388 1.1750 1.2809 1.3073 1.3948 1.4098 1.4840 1.4853 1.4910 1.4920 1.6675 1.6758 1.7773 1.7778 1.8339 1.8419 2.2529 2.2616 4.8562 4.8565 5.0241 5.0242 5.3801 5.3821 5.8270 5.8275 6.4739 6.4755 k = 0.3333 0.5774 0.9120 ( 21948 PWs) bands (ev): -42.4969 -42.4969 -42.4908 -42.4908 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7817 -41.7817 -41.4612 -41.4612 -41.4611 -41.4611 -41.4607 -41.4607 -41.3342 -41.3342 -12.9855 -12.9855 -8.9293 -8.9293 -8.8982 -8.8982 -8.8385 -8.8385 -2.5362 -2.5361 -1.5282 -1.5190 -1.2968 -1.2846 1.1434 1.1806 1.2919 1.3216 1.3892 1.4012 1.4848 1.4911 1.4928 1.5004 1.6682 1.6756 1.7733 1.7736 1.8366 1.8446 2.2567 2.2655 4.8479 4.8482 5.0150 5.0151 5.3703 5.3723 5.8179 5.8181 6.4630 6.4639 k = 0.3333 0.5774 0.9354 ( 21936 PWs) bands (ev): -42.4968 -42.4968 -42.4908 -42.4908 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7817 -41.7817 -41.4612 -41.4612 -41.4611 -41.4611 -41.4607 -41.4607 -41.3342 -41.3342 -12.9847 -12.9847 -8.9297 -8.9297 -8.8986 -8.8986 -8.8389 -8.8389 -2.5423 -2.5422 -1.5272 -1.5181 -1.2956 -1.2834 1.1463 1.1841 1.2994 1.3322 1.3851 1.3940 1.4844 1.4909 1.4982 1.5060 1.6686 1.6756 1.7707 1.7709 1.8383 1.8463 2.2590 2.2678 4.8429 4.8433 5.0095 5.0096 5.3643 5.3665 5.8123 5.8124 6.4564 6.4570 k = 0.3333 0.5774 0.9588 ( 21930 PWs) bands (ev): -42.4968 -42.4968 -42.4908 -42.4908 -42.4899 -42.4899 -41.8251 -41.8251 -41.7822 -41.7822 -41.7817 -41.7817 -41.4612 -41.4612 -41.4611 -41.4611 -41.4607 -41.4607 -41.3342 -41.3342 -12.9844 -12.9844 -8.9298 -8.9298 -8.8988 -8.8988 -8.8390 -8.8390 -2.5443 -2.5442 -1.5269 -1.5177 -1.2952 -1.2830 1.1472 1.1853 1.3020 1.3364 1.3835 1.3910 1.4843 1.4908 1.5001 1.5078 1.6687 1.6755 1.7698 1.7700 1.8388 1.8468 2.2598 2.2686 4.8413 4.8416 5.0077 5.0077 5.3624 5.3645 5.8105 5.8105 6.4542 6.4547 Writing output data file Li10BrN3.save init_run : 0.87s CPU 0.56s WALL ( 1 calls) electrons : 723.72s CPU 518.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.12s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 723.71s CPU 518.84s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.85s CPU 0.80s WALL ( 270 calls) cegterg : 542.04s CPU 405.79s WALL ( 346 calls) Called by sum_band: Called by *egterg: h_psi : 559.72s CPU 353.93s WALL ( 5781 calls) s_psi : 15.79s CPU 14.87s WALL ( 5781 calls) g_psi : 0.98s CPU 1.07s WALL ( 5165 calls) cdiaghg : 55.27s CPU 55.37s WALL ( 5435 calls) cegterg:over : 25.22s CPU 25.33s WALL ( 5165 calls) cegterg:upda : 24.44s CPU 25.15s WALL ( 5165 calls) cegterg:last : 13.90s CPU 13.95s WALL ( 886 calls) cdiaghg:chol : 3.08s CPU 3.21s WALL ( 5435 calls) cdiaghg:inve : 2.16s CPU 2.20s WALL ( 5435 calls) cdiaghg:para : 3.40s CPU 3.42s WALL ( 10870 calls) Called by h_psi: h_psi:vloc : 519.54s CPU 316.60s WALL ( 5781 calls) h_psi:vnl : 38.20s CPU 35.66s WALL ( 5781 calls) add_vuspsi : 16.98s CPU 15.84s WALL ( 5781 calls) General routines calbec : 21.20s CPU 19.81s WALL ( 5781 calls) fft : 0.08s CPU 0.04s WALL ( 15 calls) fftw : 495.57s CPU 296.10s WALL ( 764712 calls) davcio : 0.91s CPU 12.12s WALL ( 540 calls) Parallel routines fft_scatter : 113.81s CPU 93.66s WALL ( 764727 calls) PWSCF : 13m22.90s CPU 10m23.70s WALL This run was terminated on: 4:18: 2 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=