Program PWSCF v.5.1.1 starts on 19Jun2016 at 23:14:16 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), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./K3MnO4.save/ file Mn.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 159 45 12 7536 1127 167 Max 160 46 13 7539 1153 172 Sum 7639 2169 603 361781 54729 8103 bravais-lattice index = 14 lattice parameter (alat) = 10.9286 a.u. unit-cell volume = 940.8124 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 66.00 number of Kohn-Sham states= 80 kinetic-energy cutoff = 57.0000 Ry charge density cutoff = 803.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.928602 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.479594 celldm(5)= -0.479594 celldm(6)= -0.040812 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.040812 0.999167 0.000000 ) a(3) = ( -0.479594 -0.499583 0.721392 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.040847 0.693105 ) b(2) = ( 0.000000 1.000834 0.693105 ) b(3) = ( 0.000000 0.000000 1.386209 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 Mn read from file: /home/autes/Pseudo/Mn.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 5689fa97e257199ddb8f72ed56aebbb6 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1187 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for K read from file: /home/autes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Mn 15.00 54.93800 Mn( 1.00) K 9.00 39.09830 K( 1.00) 2 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 297 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0000000 0.0000000 0.0182396), wk = 0.0033670 k( 3) = ( 0.0000000 0.0000000 0.0364792), wk = 0.0033670 k( 4) = ( 0.0000000 0.0000000 0.0547188), wk = 0.0033670 k( 5) = ( 0.0000000 0.0000000 0.0729584), wk = 0.0033670 k( 6) = ( 0.0000000 0.0000000 0.0911980), wk = 0.0033670 k( 7) = ( 0.0000000 0.0000000 0.1094376), wk = 0.0033670 k( 8) = ( 0.0000000 0.0000000 0.1276772), wk = 0.0033670 k( 9) = ( 0.0000000 0.0000000 0.1459168), wk = 0.0033670 k( 10) = ( 0.0000000 0.0000000 0.1641563), wk = 0.0033670 k( 11) = ( 0.0000000 0.0000000 0.1823959), wk = 0.0033670 k( 12) = ( 0.0000000 0.0000000 0.2006355), wk = 0.0033670 k( 13) = ( 0.0000000 0.0000000 0.2188751), wk = 0.0033670 k( 14) = ( 0.0000000 0.0000000 0.2371147), wk = 0.0033670 k( 15) = ( 0.0000000 0.0000000 0.2553543), wk = 0.0033670 k( 16) = ( 0.0000000 0.0000000 0.2735939), wk = 0.0033670 k( 17) = ( 0.0000000 0.0000000 0.2918335), wk = 0.0033670 k( 18) = ( 0.0000000 0.0000000 0.3100731), wk = 0.0033670 k( 19) = ( 0.0000000 0.0000000 0.3283127), wk = 0.0033670 k( 20) = ( 0.0000000 0.0000000 0.3465523), wk = 0.0033670 k( 21) = ( 0.0000000 0.0000000 0.3647919), wk = 0.0033670 k( 22) = ( 0.0000000 0.0000000 0.3830315), wk = 0.0033670 k( 23) = ( 0.0000000 0.0000000 0.4012711), wk = 0.0033670 k( 24) = ( 0.0000000 0.0000000 0.4195107), wk = 0.0033670 k( 25) = ( 0.0000000 0.0000000 0.4377502), wk = 0.0033670 k( 26) = ( 0.0000000 0.0000000 0.4559898), wk = 0.0033670 k( 27) = ( 0.0000000 0.0000000 0.4742294), wk = 0.0033670 k( 28) = ( 0.0000000 0.0000000 0.4924690), wk = 0.0033670 k( 29) = ( 0.0000000 0.0000000 0.5107086), wk = 0.0033670 k( 30) = ( 0.0000000 0.0000000 0.5289482), wk = 0.0033670 k( 31) = ( 0.0000000 0.0000000 0.5471878), wk = 0.0033670 k( 32) = ( 0.0000000 0.0000000 0.5654274), wk = 0.0033670 k( 33) = ( 0.0000000 0.0000000 0.5836670), wk = 0.0033670 k( 34) = ( 0.0000000 0.0000000 0.6019066), wk = 0.0033670 k( 35) = ( 0.0000000 0.0000000 0.6201462), wk = 0.0033670 k( 36) = ( 0.0000000 0.0000000 0.6383858), wk = 0.0033670 k( 37) = ( 0.0000000 0.0000000 0.6566254), wk = 0.0033670 k( 38) = ( 0.0000000 0.0000000 0.6748650), wk = 0.0033670 k( 39) = ( 0.0000000 0.0000000 0.6931046), wk = 0.0033670 k( 40) = ( 0.0000000 0.0000000 0.6931046), wk = 0.0033670 k( 41) = ( -0.0129178 0.0124010 0.6931046), wk = 0.0033670 k( 42) = ( -0.0258357 0.0248019 0.6931046), wk = 0.0033670 k( 43) = ( -0.0387535 0.0372029 0.6931046), wk = 0.0033670 k( 44) = ( -0.0516713 0.0496038 0.6931046), wk = 0.0033670 k( 45) = ( -0.0645892 0.0620048 0.6931046), wk = 0.0033670 k( 46) = ( -0.0775070 0.0744057 0.6931046), wk = 0.0033670 k( 47) = ( -0.0904248 0.0868067 0.6931046), wk = 0.0033670 k( 48) = ( -0.1033427 0.0992077 0.6931046), wk = 0.0033670 k( 49) = ( -0.1162605 0.1116086 0.6931046), wk = 0.0033670 k( 50) = ( -0.1291783 0.1240096 0.6931046), wk = 0.0033670 k( 51) = ( -0.1420962 0.1364105 0.6931046), wk = 0.0033670 k( 52) = ( -0.1550140 0.1488115 0.6931046), wk = 0.0033670 k( 53) = ( -0.1679318 0.1612124 0.6931046), wk = 0.0033670 k( 54) = ( -0.1808497 0.1736134 0.6931046), wk = 0.0033670 k( 55) = ( -0.1937675 0.1860144 0.6931046), wk = 0.0033670 k( 56) = ( -0.2066853 0.1984153 0.6931046), wk = 0.0033670 k( 57) = ( -0.2196032 0.2108163 0.6931046), wk = 0.0033670 k( 58) = ( -0.2325210 0.2232172 0.6931046), wk = 0.0033670 k( 59) = ( -0.2454388 0.2356182 0.6931046), wk = 0.0033670 k( 60) = ( -0.2583567 0.2480191 0.6931046), wk = 0.0033670 k( 61) = ( -0.2712745 0.2604201 0.6931046), wk = 0.0033670 k( 62) = ( -0.2712745 0.2604201 0.6931046), wk = 0.0033670 k( 63) = ( -0.2800717 0.2688652 0.6809099), wk = 0.0033670 k( 64) = ( -0.2888688 0.2773104 0.6687152), wk = 0.0033670 k( 65) = ( -0.2976659 0.2857555 0.6565206), wk = 0.0033670 k( 66) = ( -0.3064631 0.2942006 0.6443259), wk = 0.0033670 k( 67) = ( -0.3152602 0.3026458 0.6321312), wk = 0.0033670 k( 68) = ( -0.3240573 0.3110909 0.6199366), wk = 0.0033670 k( 69) = ( -0.3328545 0.3195361 0.6077419), wk = 0.0033670 k( 70) = ( -0.3416516 0.3279812 0.5955472), wk = 0.0033670 k( 71) = ( -0.3504487 0.3364263 0.5833525), wk = 0.0033670 k( 72) = ( -0.3592459 0.3448715 0.5711579), wk = 0.0033670 k( 73) = ( -0.3680430 0.3533166 0.5589632), wk = 0.0033670 k( 74) = ( -0.3768401 0.3617617 0.5467685), wk = 0.0033670 k( 75) = ( -0.3856373 0.3702069 0.5345739), wk = 0.0033670 k( 76) = ( -0.3856373 0.3702069 0.5345739), wk = 0.0033670 k( 77) = ( -0.3764554 0.3613924 0.5218459), wk = 0.0033670 k( 78) = ( -0.3672736 0.3525780 0.5091180), wk = 0.0033670 k( 79) = ( -0.3580917 0.3437635 0.4963900), wk = 0.0033670 k( 80) = ( -0.3489099 0.3349491 0.4836621), wk = 0.0033670 k( 81) = ( -0.3397281 0.3261346 0.4709341), wk = 0.0033670 k( 82) = ( -0.3305462 0.3173202 0.4582062), wk = 0.0033670 k( 83) = ( -0.3213644 0.3085057 0.4454782), wk = 0.0033670 k( 84) = ( -0.3121825 0.2996913 0.4327503), wk = 0.0033670 k( 85) = ( -0.3030007 0.2908768 0.4200223), wk = 0.0033670 k( 86) = ( -0.2938189 0.2820624 0.4072944), wk = 0.0033670 k( 87) = ( -0.2846370 0.2732479 0.3945664), wk = 0.0033670 k( 88) = ( -0.2754552 0.2644335 0.3818385), wk = 0.0033670 k( 89) = ( -0.2662733 0.2556190 0.3691105), wk = 0.0033670 k( 90) = ( -0.2570915 0.2468046 0.3563826), wk = 0.0033670 k( 91) = ( -0.2479097 0.2379901 0.3436546), wk = 0.0033670 k( 92) = ( -0.2387278 0.2291757 0.3309267), wk = 0.0033670 k( 93) = ( -0.2295460 0.2203612 0.3181987), wk = 0.0033670 k( 94) = ( -0.2203642 0.2115468 0.3054708), wk = 0.0033670 k( 95) = ( -0.2111823 0.2027323 0.2927428), wk = 0.0033670 k( 96) = ( -0.2020005 0.1939179 0.2800149), wk = 0.0033670 k( 97) = ( -0.1928186 0.1851034 0.2672869), wk = 0.0033670 k( 98) = ( -0.1836368 0.1762890 0.2545590), wk = 0.0033670 k( 99) = ( -0.1744549 0.1674745 0.2418310), wk = 0.0033670 k( 100) = ( -0.1652731 0.1586601 0.2291031), wk = 0.0033670 k( 101) = ( -0.1560913 0.1498456 0.2163751), wk = 0.0033670 k( 102) = ( -0.1469094 0.1410312 0.2036472), wk = 0.0033670 k( 103) = ( -0.1377276 0.1322167 0.1909192), wk = 0.0033670 k( 104) = ( -0.1285457 0.1234023 0.1781913), wk = 0.0033670 k( 105) = ( -0.1193639 0.1145878 0.1654633), wk = 0.0033670 k( 106) = ( -0.1101821 0.1057734 0.1527354), wk = 0.0033670 k( 107) = ( -0.1010002 0.0969589 0.1400074), wk = 0.0033670 k( 108) = ( -0.0918184 0.0881445 0.1272795), wk = 0.0033670 k( 109) = ( -0.0826366 0.0793301 0.1145516), wk = 0.0033670 k( 110) = ( -0.0734547 0.0705156 0.1018236), wk = 0.0033670 k( 111) = ( -0.0642729 0.0617012 0.0890957), wk = 0.0033670 k( 112) = ( -0.0550910 0.0528867 0.0763677), wk = 0.0033670 k( 113) = ( -0.0459092 0.0440723 0.0636398), wk = 0.0033670 k( 114) = ( -0.0367274 0.0352578 0.0509118), wk = 0.0033670 k( 115) = ( -0.0275455 0.0264434 0.0381839), wk = 0.0033670 k( 116) = ( -0.0183637 0.0176289 0.0254559), wk = 0.0033670 k( 117) = ( -0.0091818 0.0088145 0.0127280), wk = 0.0033670 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 120) = ( 0.0125000 0.0130210 0.0000000), wk = 0.0033670 k( 121) = ( 0.0250000 0.0260420 0.0000000), wk = 0.0033670 k( 122) = ( 0.0375000 0.0390630 0.0000000), wk = 0.0033670 k( 123) = ( 0.0500000 0.0520840 0.0000000), wk = 0.0033670 k( 124) = ( 0.0625000 0.0651050 0.0000000), wk = 0.0033670 k( 125) = ( 0.0750000 0.0781260 0.0000000), wk = 0.0033670 k( 126) = ( 0.0875000 0.0911470 0.0000000), wk = 0.0033670 k( 127) = ( 0.1000000 0.1041680 0.0000000), wk = 0.0033670 k( 128) = ( 0.1125000 0.1171890 0.0000000), wk = 0.0033670 k( 129) = ( 0.1250000 0.1302101 0.0000000), wk = 0.0033670 k( 130) = ( 0.1375000 0.1432311 0.0000000), wk = 0.0033670 k( 131) = ( 0.1500000 0.1562521 0.0000000), wk = 0.0033670 k( 132) = ( 0.1625000 0.1692731 0.0000000), wk = 0.0033670 k( 133) = ( 0.1750000 0.1822941 0.0000000), wk = 0.0033670 k( 134) = ( 0.1875000 0.1953151 0.0000000), wk = 0.0033670 k( 135) = ( 0.2000000 0.2083361 0.0000000), wk = 0.0033670 k( 136) = ( 0.2125000 0.2213571 0.0000000), wk = 0.0033670 k( 137) = ( 0.2250000 0.2343781 0.0000000), wk = 0.0033670 k( 138) = ( 0.2375000 0.2473991 0.0000000), wk = 0.0033670 k( 139) = ( 0.2500000 0.2604201 0.0000000), wk = 0.0033670 k( 140) = ( 0.2625000 0.2734411 0.0000000), wk = 0.0033670 k( 141) = ( 0.2750000 0.2864621 0.0000000), wk = 0.0033670 k( 142) = ( 0.2875000 0.2994831 0.0000000), wk = 0.0033670 k( 143) = ( 0.3000000 0.3125041 0.0000000), wk = 0.0033670 k( 144) = ( 0.3125000 0.3255251 0.0000000), wk = 0.0033670 k( 145) = ( 0.3250000 0.3385461 0.0000000), wk = 0.0033670 k( 146) = ( 0.3375000 0.3515671 0.0000000), wk = 0.0033670 k( 147) = ( 0.3500000 0.3645881 0.0000000), wk = 0.0033670 k( 148) = ( 0.3625000 0.3776091 0.0000000), wk = 0.0033670 k( 149) = ( 0.3750000 0.3906302 0.0000000), wk = 0.0033670 k( 150) = ( 0.3875000 0.4036512 0.0000000), wk = 0.0033670 k( 151) = ( 0.4000000 0.4166722 0.0000000), wk = 0.0033670 k( 152) = ( 0.4125000 0.4296932 0.0000000), wk = 0.0033670 k( 153) = ( 0.4250000 0.4427142 0.0000000), wk = 0.0033670 k( 154) = ( 0.4375000 0.4557352 0.0000000), wk = 0.0033670 k( 155) = ( 0.4500000 0.4687562 0.0000000), wk = 0.0033670 k( 156) = ( 0.4625000 0.4817772 0.0000000), wk = 0.0033670 k( 157) = ( 0.4750000 0.4947982 0.0000000), wk = 0.0033670 k( 158) = ( 0.4875000 0.5078192 0.0000000), wk = 0.0033670 k( 159) = ( 0.5000000 0.5208402 0.0000000), wk = 0.0033670 k( 160) = ( 0.5000000 0.5208402 0.0000000), wk = 0.0033670 k( 161) = ( 0.4912029 0.5292853 0.0121947), wk = 0.0033670 k( 162) = ( 0.4824057 0.5377305 0.0243893), wk = 0.0033670 k( 163) = ( 0.4736086 0.5461756 0.0365840), wk = 0.0033670 k( 164) = ( 0.4648115 0.5546208 0.0487787), wk = 0.0033670 k( 165) = ( 0.4560143 0.5630659 0.0609733), wk = 0.0033670 k( 166) = ( 0.4472172 0.5715110 0.0731680), wk = 0.0033670 k( 167) = ( 0.4384201 0.5799562 0.0853627), wk = 0.0033670 k( 168) = ( 0.4296229 0.5884013 0.0975573), wk = 0.0033670 k( 169) = ( 0.4208258 0.5968464 0.1097520), wk = 0.0033670 k( 170) = ( 0.4120287 0.6052916 0.1219467), wk = 0.0033670 k( 171) = ( 0.4032315 0.6137367 0.1341413), wk = 0.0033670 k( 172) = ( 0.3944344 0.6221819 0.1463360), wk = 0.0033670 k( 173) = ( 0.3856373 0.6306270 0.1585307), wk = 0.0033670 k( 174) = ( 0.3856373 0.6306270 0.1585307), wk = 0.0033670 k( 175) = ( 0.3702118 0.6254186 0.1660515), wk = 0.0033670 k( 176) = ( 0.3547863 0.6202102 0.1735724), wk = 0.0033670 k( 177) = ( 0.3393608 0.6150018 0.1810933), wk = 0.0033670 k( 178) = ( 0.3239353 0.6097934 0.1886141), wk = 0.0033670 k( 179) = ( 0.3085098 0.6045850 0.1961350), wk = 0.0033670 k( 180) = ( 0.2930843 0.5993766 0.2036559), wk = 0.0033670 k( 181) = ( 0.2776588 0.5941682 0.2111767), wk = 0.0033670 k( 182) = ( 0.2622333 0.5889598 0.2186976), wk = 0.0033670 k( 183) = ( 0.2468078 0.5837514 0.2262185), wk = 0.0033670 k( 184) = ( 0.2313823 0.5785430 0.2337393), wk = 0.0033670 k( 185) = ( 0.2159569 0.5733346 0.2412602), wk = 0.0033670 k( 186) = ( 0.2005314 0.5681262 0.2487810), wk = 0.0033670 k( 187) = ( 0.1851059 0.5629178 0.2563019), wk = 0.0033670 k( 188) = ( 0.1696804 0.5577094 0.2638228), wk = 0.0033670 k( 189) = ( 0.1542549 0.5525010 0.2713436), wk = 0.0033670 k( 190) = ( 0.1388294 0.5472926 0.2788645), wk = 0.0033670 k( 191) = ( 0.1234039 0.5420842 0.2863854), wk = 0.0033670 k( 192) = ( 0.1079784 0.5368758 0.2939062), wk = 0.0033670 k( 193) = ( 0.0925529 0.5316673 0.3014271), wk = 0.0033670 k( 194) = ( 0.0771275 0.5264589 0.3089480), wk = 0.0033670 k( 195) = ( 0.0617020 0.5212505 0.3164688), wk = 0.0033670 k( 196) = ( 0.0462765 0.5160421 0.3239897), wk = 0.0033670 k( 197) = ( 0.0308510 0.5108337 0.3315106), wk = 0.0033670 k( 198) = ( 0.0154255 0.5056253 0.3390314), wk = 0.0033670 k( 199) = ( 0.0000000 0.5004169 0.3465523), wk = 0.0033670 k( 200) = ( 0.0000000 0.5004169 0.3465523), wk = 0.0033670 k( 201) = ( 0.0092593 0.4915282 0.3593875), wk = 0.0033670 k( 202) = ( 0.0185185 0.4826394 0.3722228), wk = 0.0033670 k( 203) = ( 0.0277778 0.4737506 0.3850581), wk = 0.0033670 k( 204) = ( 0.0370370 0.4648618 0.3978934), wk = 0.0033670 k( 205) = ( 0.0462963 0.4559731 0.4107286), wk = 0.0033670 k( 206) = ( 0.0555556 0.4470843 0.4235639), wk = 0.0033670 k( 207) = ( 0.0648148 0.4381955 0.4363992), wk = 0.0033670 k( 208) = ( 0.0740741 0.4293068 0.4492344), wk = 0.0033670 k( 209) = ( 0.0833333 0.4204180 0.4620697), wk = 0.0033670 k( 210) = ( 0.0925926 0.4115292 0.4749050), wk = 0.0033670 k( 211) = ( 0.1018518 0.4026404 0.4877402), wk = 0.0033670 k( 212) = ( 0.1111111 0.3937517 0.5005755), wk = 0.0033670 k( 213) = ( 0.1203704 0.3848629 0.5134108), wk = 0.0033670 k( 214) = ( 0.1296296 0.3759741 0.5262461), wk = 0.0033670 k( 215) = ( 0.1388889 0.3670854 0.5390813), wk = 0.0033670 k( 216) = ( 0.1481482 0.3581966 0.5519166), wk = 0.0033670 k( 217) = ( 0.1574074 0.3493078 0.5647519), wk = 0.0033670 k( 218) = ( 0.1666667 0.3404190 0.5775871), wk = 0.0033670 k( 219) = ( 0.1759259 0.3315303 0.5904224), wk = 0.0033670 k( 220) = ( 0.1851852 0.3226415 0.6032577), wk = 0.0033670 k( 221) = ( 0.1944444 0.3137527 0.6160929), wk = 0.0033670 k( 222) = ( 0.2037037 0.3048640 0.6289282), wk = 0.0033670 k( 223) = ( 0.2129630 0.2959752 0.6417635), wk = 0.0033670 k( 224) = ( 0.2222222 0.2870864 0.6545987), wk = 0.0033670 k( 225) = ( 0.2314815 0.2781976 0.6674340), wk = 0.0033670 k( 226) = ( 0.2407407 0.2693089 0.6802693), wk = 0.0033670 k( 227) = ( 0.2500000 0.2604201 0.6931046), wk = 0.0033670 k( 228) = ( 0.2500000 0.2604201 0.6931046), wk = 0.0033670 k( 229) = ( 0.2586207 0.2694001 0.6801376), wk = 0.0033670 k( 230) = ( 0.2672414 0.2783801 0.6671705), wk = 0.0033670 k( 231) = ( 0.2758621 0.2873601 0.6542035), wk = 0.0033670 k( 232) = ( 0.2844828 0.2963401 0.6412365), wk = 0.0033670 k( 233) = ( 0.2931034 0.3053201 0.6282695), wk = 0.0033670 k( 234) = ( 0.3017241 0.3143001 0.6153025), wk = 0.0033670 k( 235) = ( 0.3103448 0.3232801 0.6023355), wk = 0.0033670 k( 236) = ( 0.3189655 0.3322601 0.5893685), wk = 0.0033670 k( 237) = ( 0.3275862 0.3412401 0.5764015), wk = 0.0033670 k( 238) = ( 0.3362069 0.3502201 0.5634345), wk = 0.0033670 k( 239) = ( 0.3448276 0.3592001 0.5504675), wk = 0.0033670 k( 240) = ( 0.3534483 0.3681801 0.5375005), wk = 0.0033670 k( 241) = ( 0.3620690 0.3771602 0.5245335), wk = 0.0033670 k( 242) = ( 0.3706897 0.3861402 0.5115665), wk = 0.0033670 k( 243) = ( 0.3793103 0.3951201 0.4985994), wk = 0.0033670 k( 244) = ( 0.3879310 0.4041002 0.4856324), wk = 0.0033670 k( 245) = ( 0.3965517 0.4130802 0.4726654), wk = 0.0033670 k( 246) = ( 0.4051724 0.4220602 0.4596984), wk = 0.0033670 k( 247) = ( 0.4137931 0.4310402 0.4467314), wk = 0.0033670 k( 248) = ( 0.4224138 0.4400202 0.4337644), wk = 0.0033670 k( 249) = ( 0.4310345 0.4490002 0.4207974), wk = 0.0033670 k( 250) = ( 0.4396552 0.4579802 0.4078304), wk = 0.0033670 k( 251) = ( 0.4482759 0.4669602 0.3948634), wk = 0.0033670 k( 252) = ( 0.4568966 0.4759402 0.3818964), wk = 0.0033670 k( 253) = ( 0.4655172 0.4849202 0.3689294), wk = 0.0033670 k( 254) = ( 0.4741379 0.4939002 0.3559624), wk = 0.0033670 k( 255) = ( 0.4827586 0.5028802 0.3429954), wk = 0.0033670 k( 256) = ( 0.4913793 0.5118602 0.3300284), wk = 0.0033670 k( 257) = ( 0.5000000 0.5208402 0.3170614), wk = 0.0033670 k( 258) = ( 0.5000000 0.5208402 0.3170614), wk = 0.0033670 k( 259) = ( 0.5000000 0.5208402 0.2994468), wk = 0.0033670 k( 260) = ( 0.5000000 0.5208402 0.2818323), wk = 0.0033670 k( 261) = ( 0.5000000 0.5208402 0.2642178), wk = 0.0033670 k( 262) = ( 0.5000000 0.5208402 0.2466033), wk = 0.0033670 k( 263) = ( 0.5000000 0.5208402 0.2289888), wk = 0.0033670 k( 264) = ( 0.5000000 0.5208402 0.2113742), wk = 0.0033670 k( 265) = ( 0.5000000 0.5208402 0.1937597), wk = 0.0033670 k( 266) = ( 0.5000000 0.5208402 0.1761452), wk = 0.0033670 k( 267) = ( 0.5000000 0.5208402 0.1585307), wk = 0.0033670 k( 268) = ( 0.5000000 0.5208402 0.1409162), wk = 0.0033670 k( 269) = ( 0.5000000 0.5208402 0.1233016), wk = 0.0033670 k( 270) = ( 0.5000000 0.5208402 0.1056871), wk = 0.0033670 k( 271) = ( 0.5000000 0.5208402 0.0880726), wk = 0.0033670 k( 272) = ( 0.5000000 0.5208402 0.0704581), wk = 0.0033670 k( 273) = ( 0.5000000 0.5208402 0.0528436), wk = 0.0033670 k( 274) = ( 0.5000000 0.5208402 0.0352290), wk = 0.0033670 k( 275) = ( 0.5000000 0.5208402 0.0176145), wk = 0.0033670 k( 276) = ( 0.5000000 0.5208402 0.0000000), wk = 0.0033670 k( 277) = ( 0.0000000 0.0000000 0.6931046), wk = 0.0033670 k( 278) = ( 0.0125000 0.0130210 0.6931046), wk = 0.0033670 k( 279) = ( 0.0250000 0.0260420 0.6931046), wk = 0.0033670 k( 280) = ( 0.0375000 0.0390630 0.6931046), wk = 0.0033670 k( 281) = ( 0.0500000 0.0520840 0.6931046), wk = 0.0033670 k( 282) = ( 0.0625000 0.0651050 0.6931046), wk = 0.0033670 k( 283) = ( 0.0750000 0.0781260 0.6931046), wk = 0.0033670 k( 284) = ( 0.0875000 0.0911470 0.6931046), wk = 0.0033670 k( 285) = ( 0.1000000 0.1041680 0.6931046), wk = 0.0033670 k( 286) = ( 0.1125000 0.1171890 0.6931046), wk = 0.0033670 k( 287) = ( 0.1250000 0.1302101 0.6931046), wk = 0.0033670 k( 288) = ( 0.1375000 0.1432311 0.6931046), wk = 0.0033670 k( 289) = ( 0.1500000 0.1562521 0.6931046), wk = 0.0033670 k( 290) = ( 0.1625000 0.1692731 0.6931046), wk = 0.0033670 k( 291) = ( 0.1750000 0.1822941 0.6931046), wk = 0.0033670 k( 292) = ( 0.1875000 0.1953151 0.6931046), wk = 0.0033670 k( 293) = ( 0.2000000 0.2083361 0.6931046), wk = 0.0033670 k( 294) = ( 0.2125000 0.2213571 0.6931046), wk = 0.0033670 k( 295) = ( 0.2250000 0.2343781 0.6931046), wk = 0.0033670 k( 296) = ( 0.2375000 0.2473991 0.6931046), wk = 0.0033670 k( 297) = ( 0.2500000 0.2604201 0.6931046), wk = 0.0033670 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0033670 k( 3) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0033670 k( 4) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0033670 k( 5) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0033670 k( 6) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0033670 k( 7) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0033670 k( 8) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0033670 k( 9) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0033670 k( 10) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0033670 k( 11) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0033670 k( 12) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0033670 k( 13) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0033670 k( 14) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0033670 k( 15) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0033670 k( 16) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0033670 k( 17) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0033670 k( 18) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0033670 k( 19) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0033670 k( 20) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033670 k( 21) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0033670 k( 22) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0033670 k( 23) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0033670 k( 24) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0033670 k( 25) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0033670 k( 26) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0033670 k( 27) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0033670 k( 28) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0033670 k( 29) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0033670 k( 30) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0033670 k( 31) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0033670 k( 32) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0033670 k( 33) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0033670 k( 34) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0033670 k( 35) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0033670 k( 36) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0033670 k( 37) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0033670 k( 38) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0033670 k( 39) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 41) = ( -0.0129178 0.0129178 0.5000000), wk = 0.0033670 k( 42) = ( -0.0258357 0.0258357 0.5000000), wk = 0.0033670 k( 43) = ( -0.0387535 0.0387535 0.5000000), wk = 0.0033670 k( 44) = ( -0.0516713 0.0516713 0.5000000), wk = 0.0033670 k( 45) = ( -0.0645892 0.0645892 0.5000000), wk = 0.0033670 k( 46) = ( -0.0775070 0.0775070 0.5000000), wk = 0.0033670 k( 47) = ( -0.0904248 0.0904248 0.5000000), wk = 0.0033670 k( 48) = ( -0.1033427 0.1033427 0.5000000), wk = 0.0033670 k( 49) = ( -0.1162605 0.1162605 0.5000000), wk = 0.0033670 k( 50) = ( -0.1291783 0.1291783 0.5000000), wk = 0.0033670 k( 51) = ( -0.1420962 0.1420962 0.5000000), wk = 0.0033670 k( 52) = ( -0.1550140 0.1550140 0.5000000), wk = 0.0033670 k( 53) = ( -0.1679318 0.1679318 0.5000000), wk = 0.0033670 k( 54) = ( -0.1808497 0.1808497 0.5000000), wk = 0.0033670 k( 55) = ( -0.1937675 0.1937675 0.5000000), wk = 0.0033670 k( 56) = ( -0.2066853 0.2066853 0.5000000), wk = 0.0033670 k( 57) = ( -0.2196032 0.2196032 0.5000000), wk = 0.0033670 k( 58) = ( -0.2325210 0.2325210 0.5000000), wk = 0.0033670 k( 59) = ( -0.2454388 0.2454388 0.5000000), wk = 0.0033670 k( 60) = ( -0.2583567 0.2583567 0.5000000), wk = 0.0033670 k( 61) = ( -0.2712745 0.2712745 0.5000000), wk = 0.0033670 k( 62) = ( -0.2712745 0.2712745 0.5000000), wk = 0.0033670 k( 63) = ( -0.2800717 0.2800717 0.4912029), wk = 0.0033670 k( 64) = ( -0.2888688 0.2888688 0.4824057), wk = 0.0033670 k( 65) = ( -0.2976659 0.2976659 0.4736086), wk = 0.0033670 k( 66) = ( -0.3064631 0.3064631 0.4648115), wk = 0.0033670 k( 67) = ( -0.3152602 0.3152602 0.4560143), wk = 0.0033670 k( 68) = ( -0.3240573 0.3240573 0.4472172), wk = 0.0033670 k( 69) = ( -0.3328545 0.3328545 0.4384201), wk = 0.0033670 k( 70) = ( -0.3416516 0.3416516 0.4296229), wk = 0.0033670 k( 71) = ( -0.3504487 0.3504487 0.4208258), wk = 0.0033670 k( 72) = ( -0.3592459 0.3592459 0.4120287), wk = 0.0033670 k( 73) = ( -0.3680430 0.3680430 0.4032315), wk = 0.0033670 k( 74) = ( -0.3768401 0.3768401 0.3944344), wk = 0.0033670 k( 75) = ( -0.3856373 0.3856373 0.3856373), wk = 0.0033670 k( 76) = ( -0.3856373 0.3856373 0.3856373), wk = 0.0033670 k( 77) = ( -0.3764554 0.3764554 0.3764554), wk = 0.0033670 k( 78) = ( -0.3672736 0.3672736 0.3672736), wk = 0.0033670 k( 79) = ( -0.3580917 0.3580917 0.3580917), wk = 0.0033670 k( 80) = ( -0.3489099 0.3489099 0.3489099), wk = 0.0033670 k( 81) = ( -0.3397281 0.3397281 0.3397281), wk = 0.0033670 k( 82) = ( -0.3305462 0.3305462 0.3305462), wk = 0.0033670 k( 83) = ( -0.3213644 0.3213644 0.3213644), wk = 0.0033670 k( 84) = ( -0.3121825 0.3121825 0.3121825), wk = 0.0033670 k( 85) = ( -0.3030007 0.3030007 0.3030007), wk = 0.0033670 k( 86) = ( -0.2938189 0.2938189 0.2938189), wk = 0.0033670 k( 87) = ( -0.2846370 0.2846370 0.2846370), wk = 0.0033670 k( 88) = ( -0.2754552 0.2754552 0.2754552), wk = 0.0033670 k( 89) = ( -0.2662733 0.2662733 0.2662733), wk = 0.0033670 k( 90) = ( -0.2570915 0.2570915 0.2570915), wk = 0.0033670 k( 91) = ( -0.2479097 0.2479097 0.2479097), wk = 0.0033670 k( 92) = ( -0.2387278 0.2387278 0.2387278), wk = 0.0033670 k( 93) = ( -0.2295460 0.2295460 0.2295460), wk = 0.0033670 k( 94) = ( -0.2203642 0.2203642 0.2203641), wk = 0.0033670 k( 95) = ( -0.2111823 0.2111823 0.2111823), wk = 0.0033670 k( 96) = ( -0.2020005 0.2020005 0.2020005), wk = 0.0033670 k( 97) = ( -0.1928186 0.1928186 0.1928186), wk = 0.0033670 k( 98) = ( -0.1836368 0.1836368 0.1836368), wk = 0.0033670 k( 99) = ( -0.1744549 0.1744549 0.1744549), wk = 0.0033670 k( 100) = ( -0.1652731 0.1652731 0.1652731), wk = 0.0033670 k( 101) = ( -0.1560913 0.1560913 0.1560913), wk = 0.0033670 k( 102) = ( -0.1469094 0.1469094 0.1469094), wk = 0.0033670 k( 103) = ( -0.1377276 0.1377276 0.1377276), wk = 0.0033670 k( 104) = ( -0.1285457 0.1285457 0.1285457), wk = 0.0033670 k( 105) = ( -0.1193639 0.1193639 0.1193639), wk = 0.0033670 k( 106) = ( -0.1101821 0.1101821 0.1101821), wk = 0.0033670 k( 107) = ( -0.1010002 0.1010002 0.1010002), wk = 0.0033670 k( 108) = ( -0.0918184 0.0918184 0.0918184), wk = 0.0033670 k( 109) = ( -0.0826366 0.0826366 0.0826366), wk = 0.0033670 k( 110) = ( -0.0734547 0.0734547 0.0734547), wk = 0.0033670 k( 111) = ( -0.0642729 0.0642729 0.0642729), wk = 0.0033670 k( 112) = ( -0.0550910 0.0550910 0.0550910), wk = 0.0033670 k( 113) = ( -0.0459092 0.0459092 0.0459092), wk = 0.0033670 k( 114) = ( -0.0367274 0.0367274 0.0367274), wk = 0.0033670 k( 115) = ( -0.0275455 0.0275455 0.0275455), wk = 0.0033670 k( 116) = ( -0.0183637 0.0183637 0.0183637), wk = 0.0033670 k( 117) = ( -0.0091818 0.0091818 0.0091818), wk = 0.0033670 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 120) = ( 0.0125000 0.0125000 -0.0125000), wk = 0.0033670 k( 121) = ( 0.0250000 0.0250000 -0.0250000), wk = 0.0033670 k( 122) = ( 0.0375000 0.0375000 -0.0375000), wk = 0.0033670 k( 123) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0033670 k( 124) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0033670 k( 125) = ( 0.0750000 0.0750000 -0.0750000), wk = 0.0033670 k( 126) = ( 0.0875000 0.0875000 -0.0875000), wk = 0.0033670 k( 127) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0033670 k( 128) = ( 0.1125000 0.1125000 -0.1125000), wk = 0.0033670 k( 129) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0033670 k( 130) = ( 0.1375000 0.1375000 -0.1375000), wk = 0.0033670 k( 131) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0033670 k( 132) = ( 0.1625000 0.1625000 -0.1625000), wk = 0.0033670 k( 133) = ( 0.1750000 0.1750000 -0.1750000), wk = 0.0033670 k( 134) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0033670 k( 135) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0033670 k( 136) = ( 0.2125000 0.2125000 -0.2125000), wk = 0.0033670 k( 137) = ( 0.2250000 0.2250000 -0.2250000), wk = 0.0033670 k( 138) = ( 0.2375000 0.2375000 -0.2375000), wk = 0.0033670 k( 139) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0033670 k( 140) = ( 0.2625000 0.2625000 -0.2625000), wk = 0.0033670 k( 141) = ( 0.2750000 0.2750000 -0.2750000), wk = 0.0033670 k( 142) = ( 0.2875000 0.2875000 -0.2875000), wk = 0.0033670 k( 143) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0033670 k( 144) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0033670 k( 145) = ( 0.3250000 0.3250000 -0.3250000), wk = 0.0033670 k( 146) = ( 0.3375000 0.3375000 -0.3375000), wk = 0.0033670 k( 147) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0033670 k( 148) = ( 0.3625000 0.3625000 -0.3625000), wk = 0.0033670 k( 149) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0033670 k( 150) = ( 0.3875000 0.3875000 -0.3875000), wk = 0.0033670 k( 151) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0033670 k( 152) = ( 0.4125000 0.4125000 -0.4125000), wk = 0.0033670 k( 153) = ( 0.4250000 0.4250000 -0.4250000), wk = 0.0033670 k( 154) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0033670 k( 155) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0033670 k( 156) = ( 0.4625000 0.4625000 -0.4625000), wk = 0.0033670 k( 157) = ( 0.4750000 0.4750000 -0.4750000), wk = 0.0033670 k( 158) = ( 0.4875000 0.4875000 -0.4875000), wk = 0.0033670 k( 159) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033670 k( 160) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033670 k( 161) = ( 0.4912029 0.5087971 -0.4912029), wk = 0.0033670 k( 162) = ( 0.4824057 0.5175943 -0.4824057), wk = 0.0033670 k( 163) = ( 0.4736086 0.5263914 -0.4736086), wk = 0.0033670 k( 164) = ( 0.4648115 0.5351885 -0.4648115), wk = 0.0033670 k( 165) = ( 0.4560143 0.5439857 -0.4560143), wk = 0.0033670 k( 166) = ( 0.4472172 0.5527828 -0.4472172), wk = 0.0033670 k( 167) = ( 0.4384201 0.5615799 -0.4384201), wk = 0.0033670 k( 168) = ( 0.4296229 0.5703771 -0.4296229), wk = 0.0033670 k( 169) = ( 0.4208258 0.5791742 -0.4208258), wk = 0.0033670 k( 170) = ( 0.4120287 0.5879713 -0.4120287), wk = 0.0033670 k( 171) = ( 0.4032315 0.5967685 -0.4032315), wk = 0.0033670 k( 172) = ( 0.3944344 0.6055656 -0.3944344), wk = 0.0033670 k( 173) = ( 0.3856373 0.6143627 -0.3856373), wk = 0.0033670 k( 174) = ( 0.3856373 0.6143627 -0.3856373), wk = 0.0033670 k( 175) = ( 0.3702118 0.6097882 -0.3702118), wk = 0.0033670 k( 176) = ( 0.3547863 0.6052137 -0.3547863), wk = 0.0033670 k( 177) = ( 0.3393608 0.6006392 -0.3393608), wk = 0.0033670 k( 178) = ( 0.3239353 0.5960647 -0.3239353), wk = 0.0033670 k( 179) = ( 0.3085098 0.5914902 -0.3085098), wk = 0.0033670 k( 180) = ( 0.2930843 0.5869157 -0.2930843), wk = 0.0033670 k( 181) = ( 0.2776588 0.5823412 -0.2776588), wk = 0.0033670 k( 182) = ( 0.2622333 0.5777667 -0.2622333), wk = 0.0033670 k( 183) = ( 0.2468078 0.5731922 -0.2468078), wk = 0.0033670 k( 184) = ( 0.2313823 0.5686176 -0.2313823), wk = 0.0033670 k( 185) = ( 0.2159569 0.5640431 -0.2159569), wk = 0.0033670 k( 186) = ( 0.2005314 0.5594686 -0.2005314), wk = 0.0033670 k( 187) = ( 0.1851059 0.5548941 -0.1851059), wk = 0.0033670 k( 188) = ( 0.1696804 0.5503196 -0.1696804), wk = 0.0033670 k( 189) = ( 0.1542549 0.5457451 -0.1542549), wk = 0.0033670 k( 190) = ( 0.1388294 0.5411706 -0.1388294), wk = 0.0033670 k( 191) = ( 0.1234039 0.5365961 -0.1234039), wk = 0.0033670 k( 192) = ( 0.1079784 0.5320216 -0.1079784), wk = 0.0033670 k( 193) = ( 0.0925529 0.5274471 -0.0925529), wk = 0.0033670 k( 194) = ( 0.0771275 0.5228725 -0.0771274), wk = 0.0033670 k( 195) = ( 0.0617020 0.5182980 -0.0617020), wk = 0.0033670 k( 196) = ( 0.0462765 0.5137235 -0.0462765), wk = 0.0033670 k( 197) = ( 0.0308510 0.5091490 -0.0308510), wk = 0.0033670 k( 198) = ( 0.0154255 0.5045745 -0.0154255), wk = 0.0033670 k( 199) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033670 k( 200) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033670 k( 201) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0033670 k( 202) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0033670 k( 203) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0033670 k( 204) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0033670 k( 205) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0033670 k( 206) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0033670 k( 207) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0033670 k( 208) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0033670 k( 209) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0033670 k( 210) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0033670 k( 211) = ( 0.1018518 0.3981482 0.1018518), wk = 0.0033670 k( 212) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0033670 k( 213) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0033670 k( 214) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0033670 k( 215) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0033670 k( 216) = ( 0.1481482 0.3518519 0.1481482), wk = 0.0033670 k( 217) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0033670 k( 218) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0033670 k( 219) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0033670 k( 220) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0033670 k( 221) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0033670 k( 222) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0033670 k( 223) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0033670 k( 224) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0033670 k( 225) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0033670 k( 226) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0033670 k( 227) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033670 k( 228) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033670 k( 229) = ( 0.2586207 0.2586207 0.2320250), wk = 0.0033670 k( 230) = ( 0.2672414 0.2672414 0.2140500), wk = 0.0033670 k( 231) = ( 0.2758621 0.2758621 0.1960750), wk = 0.0033670 k( 232) = ( 0.2844828 0.2844828 0.1781001), wk = 0.0033670 k( 233) = ( 0.2931034 0.2931034 0.1601251), wk = 0.0033670 k( 234) = ( 0.3017241 0.3017241 0.1421501), wk = 0.0033670 k( 235) = ( 0.3103448 0.3103448 0.1241751), wk = 0.0033670 k( 236) = ( 0.3189655 0.3189655 0.1062001), wk = 0.0033670 k( 237) = ( 0.3275862 0.3275862 0.0882251), wk = 0.0033670 k( 238) = ( 0.3362069 0.3362069 0.0702502), wk = 0.0033670 k( 239) = ( 0.3448276 0.3448276 0.0522752), wk = 0.0033670 k( 240) = ( 0.3534483 0.3534483 0.0343002), wk = 0.0033670 k( 241) = ( 0.3620690 0.3620690 0.0163252), wk = 0.0033670 k( 242) = ( 0.3706897 0.3706897 -0.0016498), wk = 0.0033670 k( 243) = ( 0.3793103 0.3793103 -0.0196247), wk = 0.0033670 k( 244) = ( 0.3879310 0.3879310 -0.0375997), wk = 0.0033670 k( 245) = ( 0.3965517 0.3965517 -0.0555747), wk = 0.0033670 k( 246) = ( 0.4051724 0.4051724 -0.0735497), wk = 0.0033670 k( 247) = ( 0.4137931 0.4137931 -0.0915247), wk = 0.0033670 k( 248) = ( 0.4224138 0.4224138 -0.1094997), wk = 0.0033670 k( 249) = ( 0.4310345 0.4310345 -0.1274747), wk = 0.0033670 k( 250) = ( 0.4396552 0.4396552 -0.1454496), wk = 0.0033670 k( 251) = ( 0.4482759 0.4482759 -0.1634246), wk = 0.0033670 k( 252) = ( 0.4568966 0.4568966 -0.1813996), wk = 0.0033670 k( 253) = ( 0.4655172 0.4655172 -0.1993746), wk = 0.0033670 k( 254) = ( 0.4741379 0.4741379 -0.2173496), wk = 0.0033670 k( 255) = ( 0.4827586 0.4827586 -0.2353245), wk = 0.0033670 k( 256) = ( 0.4913793 0.4913793 -0.2532995), wk = 0.0033670 k( 257) = ( 0.5000000 0.5000000 -0.2712745), wk = 0.0033670 k( 258) = ( 0.5000000 0.5000000 -0.2712745), wk = 0.0033670 k( 259) = ( 0.5000000 0.5000000 -0.2839815), wk = 0.0033670 k( 260) = ( 0.5000000 0.5000000 -0.2966885), wk = 0.0033670 k( 261) = ( 0.5000000 0.5000000 -0.3093954), wk = 0.0033670 k( 262) = ( 0.5000000 0.5000000 -0.3221024), wk = 0.0033670 k( 263) = ( 0.5000000 0.5000000 -0.3348094), wk = 0.0033670 k( 264) = ( 0.5000000 0.5000000 -0.3475163), wk = 0.0033670 k( 265) = ( 0.5000000 0.5000000 -0.3602233), wk = 0.0033670 k( 266) = ( 0.5000000 0.5000000 -0.3729303), wk = 0.0033670 k( 267) = ( 0.5000000 0.5000000 -0.3856373), wk = 0.0033670 k( 268) = ( 0.5000000 0.5000000 -0.3983442), wk = 0.0033670 k( 269) = ( 0.5000000 0.5000000 -0.4110512), wk = 0.0033670 k( 270) = ( 0.5000000 0.5000000 -0.4237582), wk = 0.0033670 k( 271) = ( 0.5000000 0.5000000 -0.4364651), wk = 0.0033670 k( 272) = ( 0.5000000 0.5000000 -0.4491721), wk = 0.0033670 k( 273) = ( 0.5000000 0.5000000 -0.4618791), wk = 0.0033670 k( 274) = ( 0.5000000 0.5000000 -0.4745861), wk = 0.0033670 k( 275) = ( 0.5000000 0.5000000 -0.4872930), wk = 0.0033670 k( 276) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033670 k( 277) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 278) = ( 0.0125000 0.0125000 0.4875000), wk = 0.0033670 k( 279) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0033670 k( 280) = ( 0.0375000 0.0375000 0.4625000), wk = 0.0033670 k( 281) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0033670 k( 282) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0033670 k( 283) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0033670 k( 284) = ( 0.0875000 0.0875000 0.4125000), wk = 0.0033670 k( 285) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0033670 k( 286) = ( 0.1125000 0.1125000 0.3875000), wk = 0.0033670 k( 287) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0033670 k( 288) = ( 0.1375000 0.1375000 0.3625000), wk = 0.0033670 k( 289) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0033670 k( 290) = ( 0.1625000 0.1625000 0.3375000), wk = 0.0033670 k( 291) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0033670 k( 292) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0033670 k( 293) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0033670 k( 294) = ( 0.2125000 0.2125000 0.2875000), wk = 0.0033670 k( 295) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0033670 k( 296) = ( 0.2375000 0.2375000 0.2625000), wk = 0.0033670 k( 297) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033670 Dense grid: 361781 G-vectors FFT dimensions: ( 100, 100, 100) Smooth grid: 54729 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.37 Mb ( 300, 80) NL pseudopotentials 0.44 Mb ( 150, 192) Each V/rho on FFT grid 0.46 Mb ( 30000) Each G-vector array 0.06 Mb ( 7537) G-vector shells 0.03 Mb ( 3443) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.46 Mb ( 300, 320) Each subspace H/S matrix 1.56 Mb ( 320, 320) Each matrix 0.47 Mb ( 192, 2, 80) The potential is recalculated from file : ./K3MnO4.save/charge-density.dat negative rho (up, down): 1.002E+01 0.000E+00 Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.0 secs Computing kpt #: 2 total cpu time spent up to now is 54.4 secs Computing kpt #: 3 total cpu time spent up to now is 61.7 secs Computing kpt #: 4 total cpu time spent up to now is 69.1 secs Computing kpt #: 5 total cpu time spent up to now is 76.2 secs Computing kpt #: 6 total cpu time spent up to now is 83.5 secs Computing kpt #: 7 total cpu time spent up to now is 90.9 secs Computing kpt #: 8 total cpu time spent up to now is 99.7 secs Computing kpt #: 9 total cpu time spent up to now is 107.1 secs Computing kpt #: 10 total cpu time spent up to now is 115.3 secs Computing kpt #: 11 total cpu time spent up to now is 124.0 secs Computing kpt #: 12 total cpu time spent up to now is 132.7 secs Computing kpt #: 13 total cpu time spent up to now is 141.4 secs Computing kpt #: 14 total cpu time spent up to now is 150.3 secs Computing kpt #: 15 total cpu time spent up to now is 159.3 secs Computing kpt #: 16 total cpu time spent up to now is 168.0 secs Computing kpt #: 17 total cpu time spent up to now is 177.3 secs Computing kpt #: 18 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 189.9 secs Computing kpt #: 19 total cpu time spent up to now is 199.1 secs Computing kpt #: 20 total cpu time spent up to now is 208.9 secs Computing kpt #: 21 total cpu time spent up to now is 219.7 secs Computing kpt #: 22 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 232.6 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 245.2 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 258.0 secs Computing kpt #: 25 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 270.6 secs Computing kpt #: 26 total cpu time spent up to now is 282.9 secs Computing kpt #: 27 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 295.7 secs Computing kpt #: 28 total cpu time spent up to now is 306.1 secs Computing kpt #: 29 total cpu time spent up to now is 318.9 secs Computing kpt #: 30 total cpu time spent up to now is 329.7 secs Computing kpt #: 31 total cpu time spent up to now is 340.3 secs Computing kpt #: 32 total cpu time spent up to now is 350.4 secs Computing kpt #: 33 total cpu time spent up to now is 361.2 secs Computing kpt #: 34 total cpu time spent up to now is 372.1 secs Computing kpt #: 35 total cpu time spent up to now is 382.9 secs Computing kpt #: 36 total cpu time spent up to now is 393.9 secs Computing kpt #: 37 total cpu time spent up to now is 404.8 secs Computing kpt #: 38 total cpu time spent up to now is 414.9 secs Computing kpt #: 39 total cpu time spent up to now is 424.4 secs Computing kpt #: 40 total cpu time spent up to now is 434.7 secs Computing kpt #: 41 total cpu time spent up to now is 444.7 secs Computing kpt #: 42 total cpu time spent up to now is 454.5 secs Computing kpt #: 43 total cpu time spent up to now is 464.5 secs Computing kpt #: 44 total cpu time spent up to now is 475.0 secs Computing kpt #: 45 total cpu time spent up to now is 485.6 secs Computing kpt #: 46 total cpu time spent up to now is 494.8 secs Computing kpt #: 47 total cpu time spent up to now is 503.6 secs Computing kpt #: 48 total cpu time spent up to now is 512.7 secs Computing kpt #: 49 total cpu time spent up to now is 521.3 secs Computing kpt #: 50 total cpu time spent up to now is 529.8 secs Computing kpt #: 51 total cpu time spent up to now is 538.0 secs Computing kpt #: 52 total cpu time spent up to now is 545.9 secs Computing kpt #: 53 total cpu time spent up to now is 554.5 secs Computing kpt #: 54 total cpu time spent up to now is 562.4 secs Computing kpt #: 55 total cpu time spent up to now is 570.5 secs Computing kpt #: 56 total cpu time spent up to now is 578.5 secs Computing kpt #: 57 total cpu time spent up to now is 586.6 secs Computing kpt #: 58 total cpu time spent up to now is 594.7 secs Computing kpt #: 59 total cpu time spent up to now is 602.8 secs Computing kpt #: 60 total cpu time spent up to now is 610.9 secs Computing kpt #: 61 total cpu time spent up to now is 621.4 secs Computing kpt #: 62 total cpu time spent up to now is 629.4 secs Computing kpt #: 63 total cpu time spent up to now is 637.5 secs Computing kpt #: 64 total cpu time spent up to now is 645.6 secs Computing kpt #: 65 total cpu time spent up to now is 653.9 secs Computing kpt #: 66 total cpu time spent up to now is 662.5 secs Computing kpt #: 67 total cpu time spent up to now is 670.6 secs Computing kpt #: 68 total cpu time spent up to now is 678.9 secs Computing kpt #: 69 total cpu time spent up to now is 687.1 secs Computing kpt #: 70 total cpu time spent up to now is 695.3 secs Computing kpt #: 71 total cpu time spent up to now is 703.6 secs Computing kpt #: 72 total cpu time spent up to now is 712.0 secs Computing kpt #: 73 total cpu time spent up to now is 720.6 secs Computing kpt #: 74 total cpu time spent up to now is 728.9 secs Computing kpt #: 75 total cpu time spent up to now is 737.1 secs Computing kpt #: 76 total cpu time spent up to now is 745.5 secs Computing kpt #: 77 total cpu time spent up to now is 753.9 secs Computing kpt #: 78 total cpu time spent up to now is 762.3 secs Computing kpt #: 79 total cpu time spent up to now is 770.9 secs Computing kpt #: 80 total cpu time spent up to now is 779.4 secs Computing kpt #: 81 total cpu time spent up to now is 787.8 secs Computing kpt #: 82 total cpu time spent up to now is 796.0 secs Computing kpt #: 83 total cpu time spent up to now is 804.5 secs Computing kpt #: 84 total cpu time spent up to now is 812.7 secs Computing kpt #: 85 total cpu time spent up to now is 821.0 secs Computing kpt #: 86 total cpu time spent up to now is 829.2 secs Computing kpt #: 87 total cpu time spent up to now is 837.8 secs Computing kpt #: 88 total cpu time spent up to now is 846.2 secs Computing kpt #: 89 total cpu time spent up to now is 854.3 secs Computing kpt #: 90 total cpu time spent up to now is 862.6 secs Computing kpt #: 91 total cpu time spent up to now is 870.5 secs Computing kpt #: 92 total cpu time spent up to now is 878.6 secs Computing kpt #: 93 total cpu time spent up to now is 886.8 secs Computing kpt #: 94 total cpu time spent up to now is 894.7 secs Computing kpt #: 95 total cpu time spent up to now is 903.0 secs Computing kpt #: 96 total cpu time spent up to now is 910.8 secs Computing kpt #: 97 total cpu time spent up to now is 921.0 secs Computing kpt #: 98 total cpu time spent up to now is 928.9 secs Computing kpt #: 99 total cpu time spent up to now is 936.8 secs Computing kpt #: 100 total cpu time spent up to now is 945.9 secs Computing kpt #: 101 total cpu time spent up to now is 954.1 secs Computing kpt #: 102 total cpu time spent up to now is 962.3 secs Computing kpt #: 103 total cpu time spent up to now is 972.5 secs Computing kpt #: 104 total cpu time spent up to now is 982.8 secs Computing kpt #: 105 total cpu time spent up to now is 992.5 secs Computing kpt #: 106 total cpu time spent up to now is 1000.6 secs Computing kpt #: 107 total cpu time spent up to now is 1008.0 secs Computing kpt #: 108 total cpu time spent up to now is 1017.5 secs Computing kpt #: 109 total cpu time spent up to now is 1026.2 secs Computing kpt #: 110 total cpu time spent up to now is 1034.8 secs Computing kpt #: 111 total cpu time spent up to now is 1043.9 secs Computing kpt #: 112 total cpu time spent up to now is 1052.0 secs Computing kpt #: 113 total cpu time spent up to now is 1060.6 secs Computing kpt #: 114 total cpu time spent up to now is 1069.3 secs Computing kpt #: 115 total cpu time spent up to now is 1077.1 secs Computing kpt #: 116 total cpu time spent up to now is 1084.2 secs Computing kpt #: 117 total cpu time spent up to now is 1091.4 secs Computing kpt #: 118 total cpu time spent up to now is 1098.7 secs Computing kpt #: 119 total cpu time spent up to now is 1105.7 secs Computing kpt #: 120 total cpu time spent up to now is 1112.8 secs Computing kpt #: 121 total cpu time spent up to now is 1120.2 secs Computing kpt #: 122 total cpu time spent up to now is 1127.3 secs Computing kpt #: 123 total cpu time spent up to now is 1134.4 secs Computing kpt #: 124 total cpu time spent up to now is 1141.7 secs Computing kpt #: 125 total cpu time spent up to now is 1149.0 secs Computing kpt #: 126 total cpu time spent up to now is 1157.9 secs Computing kpt #: 127 total cpu time spent up to now is 1165.7 secs Computing kpt #: 128 total cpu time spent up to now is 1173.6 secs Computing kpt #: 129 total cpu time spent up to now is 1181.6 secs Computing kpt #: 130 total cpu time spent up to now is 1189.3 secs Computing kpt #: 131 total cpu time spent up to now is 1197.2 secs Computing kpt #: 132 total cpu time spent up to now is 1204.6 secs Computing kpt #: 133 total cpu time spent up to now is 1211.9 secs Computing kpt #: 134 total cpu time spent up to now is 1221.7 secs Computing kpt #: 135 total cpu time spent up to now is 1228.8 secs Computing kpt #: 136 total cpu time spent up to now is 1236.2 secs Computing kpt #: 137 total cpu time spent up to now is 1243.4 secs Computing kpt #: 138 total cpu time spent up to now is 1250.7 secs Computing kpt #: 139 total cpu time spent up to now is 1258.5 secs Computing kpt #: 140 total cpu time spent up to now is 1266.4 secs Computing kpt #: 141 total cpu time spent up to now is 1274.5 secs Computing kpt #: 142 total cpu time spent up to now is 1282.6 secs Computing kpt #: 143 total cpu time spent up to now is 1290.1 secs Computing kpt #: 144 total cpu time spent up to now is 1297.1 secs Computing kpt #: 145 total cpu time spent up to now is 1304.3 secs Computing kpt #: 146 total cpu time spent up to now is 1311.5 secs Computing kpt #: 147 total cpu time spent up to now is 1318.8 secs Computing kpt #: 148 total cpu time spent up to now is 1325.9 secs Computing kpt #: 149 total cpu time spent up to now is 1333.1 secs Computing kpt #: 150 total cpu time spent up to now is 1340.4 secs Computing kpt #: 151 total cpu time spent up to now is 1348.0 secs Computing kpt #: 152 total cpu time spent up to now is 1355.6 secs Computing kpt #: 153 total cpu time spent up to now is 1363.2 secs Computing kpt #: 154 total cpu time spent up to now is 1370.8 secs Computing kpt #: 155 total cpu time spent up to now is 1378.4 secs Computing kpt #: 156 total cpu time spent up to now is 1386.1 secs Computing kpt #: 157 total cpu time spent up to now is 1394.2 secs Computing kpt #: 158 total cpu time spent up to now is 1402.6 secs Computing kpt #: 159 total cpu time spent up to now is 1411.0 secs Computing kpt #: 160 total cpu time spent up to now is 1419.6 secs Computing kpt #: 161 total cpu time spent up to now is 1428.0 secs Computing kpt #: 162 total cpu time spent up to now is 1436.3 secs Computing kpt #: 163 total cpu time spent up to now is 1444.6 secs Computing kpt #: 164 total cpu time spent up to now is 1452.9 secs Computing kpt #: 165 total cpu time spent up to now is 1461.5 secs Computing kpt #: 166 total cpu time spent up to now is 1469.7 secs Computing kpt #: 167 total cpu time spent up to now is 1478.0 secs Computing kpt #: 168 total cpu time spent up to now is 1486.2 secs Computing kpt #: 169 total cpu time spent up to now is 1494.6 secs Computing kpt #: 170 total cpu time spent up to now is 1502.8 secs Computing kpt #: 171 total cpu time spent up to now is 1511.0 secs Computing kpt #: 172 total cpu time spent up to now is 1521.7 secs Computing kpt #: 173 total cpu time spent up to now is 1530.0 secs Computing kpt #: 174 total cpu time spent up to now is 1538.1 secs Computing kpt #: 175 total cpu time spent up to now is 1546.3 secs Computing kpt #: 176 total cpu time spent up to now is 1553.8 secs Computing kpt #: 177 total cpu time spent up to now is 1561.3 secs Computing kpt #: 178 total cpu time spent up to now is 1568.7 secs Computing kpt #: 179 total cpu time spent up to now is 1575.9 secs Computing kpt #: 180 total cpu time spent up to now is 1583.0 secs Computing kpt #: 181 total cpu time spent up to now is 1590.0 secs Computing kpt #: 182 total cpu time spent up to now is 1597.2 secs Computing kpt #: 183 total cpu time spent up to now is 1604.2 secs Computing kpt #: 184 total cpu time spent up to now is 1611.3 secs Computing kpt #: 185 total cpu time spent up to now is 1618.6 secs Computing kpt #: 186 total cpu time spent up to now is 1625.9 secs Computing kpt #: 187 total cpu time spent up to now is 1633.0 secs Computing kpt #: 188 total cpu time spent up to now is 1639.9 secs Computing kpt #: 189 total cpu time spent up to now is 1646.7 secs Computing kpt #: 190 total cpu time spent up to now is 1654.1 secs Computing kpt #: 191 total cpu time spent up to now is 1661.5 secs Computing kpt #: 192 total cpu time spent up to now is 1667.6 secs Computing kpt #: 193 total cpu time spent up to now is 1673.7 secs Computing kpt #: 194 total cpu time spent up to now is 1680.0 secs Computing kpt #: 195 total cpu time spent up to now is 1686.3 secs Computing kpt #: 196 total cpu time spent up to now is 1692.7 secs Computing kpt #: 197 total cpu time spent up to now is 1699.7 secs Computing kpt #: 198 total cpu time spent up to now is 1706.1 secs Computing kpt #: 199 total cpu time spent up to now is 1712.9 secs Computing kpt #: 200 total cpu time spent up to now is 1719.8 secs Computing kpt #: 201 total cpu time spent up to now is 1726.2 secs Computing kpt #: 202 total cpu time spent up to now is 1733.2 secs Computing kpt #: 203 total cpu time spent up to now is 1740.2 secs Computing kpt #: 204 total cpu time spent up to now is 1747.3 secs Computing kpt #: 205 total cpu time spent up to now is 1754.5 secs Computing kpt #: 206 total cpu time spent up to now is 1762.0 secs Computing kpt #: 207 total cpu time spent up to now is 1769.4 secs Computing kpt #: 208 total cpu time spent up to now is 1776.9 secs Computing kpt #: 209 total cpu time spent up to now is 1784.2 secs Computing kpt #: 210 total cpu time spent up to now is 1791.6 secs Computing kpt #: 211 total cpu time spent up to now is 1798.9 secs Computing kpt #: 212 total cpu time spent up to now is 1806.5 secs Computing kpt #: 213 total cpu time spent up to now is 1814.6 secs Computing kpt #: 214 total cpu time spent up to now is 1823.8 secs Computing kpt #: 215 total cpu time spent up to now is 1831.3 secs Computing kpt #: 216 total cpu time spent up to now is 1838.6 secs Computing kpt #: 217 total cpu time spent up to now is 1846.2 secs Computing kpt #: 218 total cpu time spent up to now is 1853.7 secs Computing kpt #: 219 total cpu time spent up to now is 1861.4 secs Computing kpt #: 220 total cpu time spent up to now is 1868.6 secs Computing kpt #: 221 total cpu time spent up to now is 1876.3 secs Computing kpt #: 222 total cpu time spent up to now is 1883.8 secs Computing kpt #: 223 total cpu time spent up to now is 1892.0 secs Computing kpt #: 224 total cpu time spent up to now is 1899.8 secs Computing kpt #: 225 total cpu time spent up to now is 1907.3 secs Computing kpt #: 226 total cpu time spent up to now is 1915.0 secs Computing kpt #: 227 total cpu time spent up to now is 1922.5 secs Computing kpt #: 228 total cpu time spent up to now is 1930.2 secs Computing kpt #: 229 total cpu time spent up to now is 1937.8 secs Computing kpt #: 230 total cpu time spent up to now is 1945.5 secs Computing kpt #: 231 total cpu time spent up to now is 1952.9 secs Computing kpt #: 232 total cpu time spent up to now is 1960.4 secs Computing kpt #: 233 total cpu time spent up to now is 1967.8 secs Computing kpt #: 234 total cpu time spent up to now is 1975.2 secs Computing kpt #: 235 total cpu time spent up to now is 1982.3 secs Computing kpt #: 236 total cpu time spent up to now is 1989.4 secs Computing kpt #: 237 total cpu time spent up to now is 1996.5 secs Computing kpt #: 238 total cpu time spent up to now is 2003.7 secs Computing kpt #: 239 total cpu time spent up to now is 2010.8 secs Computing kpt #: 240 total cpu time spent up to now is 2017.5 secs Computing kpt #: 241 total cpu time spent up to now is 2024.6 secs Computing kpt #: 242 total cpu time spent up to now is 2031.3 secs Computing kpt #: 243 total cpu time spent up to now is 2038.1 secs Computing kpt #: 244 total cpu time spent up to now is 2045.0 secs Computing kpt #: 245 total cpu time spent up to now is 2051.9 secs Computing kpt #: 246 total cpu time spent up to now is 2059.0 secs Computing kpt #: 247 total cpu time spent up to now is 2066.3 secs Computing kpt #: 248 total cpu time spent up to now is 2073.3 secs Computing kpt #: 249 total cpu time spent up to now is 2080.5 secs Computing kpt #: 250 total cpu time spent up to now is 2088.0 secs Computing kpt #: 251 total cpu time spent up to now is 2095.6 secs Computing kpt #: 252 total cpu time spent up to now is 2103.6 secs Computing kpt #: 253 total cpu time spent up to now is 2111.9 secs Computing kpt #: 254 total cpu time spent up to now is 2121.1 secs Computing kpt #: 255 total cpu time spent up to now is 2129.4 secs Computing kpt #: 256 total cpu time spent up to now is 2137.9 secs Computing kpt #: 257 total cpu time spent up to now is 2146.3 secs Computing kpt #: 258 total cpu time spent up to now is 2154.7 secs Computing kpt #: 259 total cpu time spent up to now is 2163.1 secs Computing kpt #: 260 total cpu time spent up to now is 2171.7 secs Computing kpt #: 261 total cpu time spent up to now is 2180.2 secs Computing kpt #: 262 total cpu time spent up to now is 2188.7 secs Computing kpt #: 263 total cpu time spent up to now is 2197.3 secs Computing kpt #: 264 total cpu time spent up to now is 2205.9 secs Computing kpt #: 265 total cpu time spent up to now is 2214.5 secs Computing kpt #: 266 total cpu time spent up to now is 2223.1 secs Computing kpt #: 267 total cpu time spent up to now is 2231.6 secs Computing kpt #: 268 total cpu time spent up to now is 2240.2 secs Computing kpt #: 269 total cpu time spent up to now is 2248.6 secs Computing kpt #: 270 total cpu time spent up to now is 2257.3 secs Computing kpt #: 271 total cpu time spent up to now is 2265.7 secs Computing kpt #: 272 total cpu time spent up to now is 2274.3 secs Computing kpt #: 273 total cpu time spent up to now is 2282.7 secs Computing kpt #: 274 total cpu time spent up to now is 2291.2 secs Computing kpt #: 275 total cpu time spent up to now is 2299.7 secs Computing kpt #: 276 total cpu time spent up to now is 2308.0 secs Computing kpt #: 277 total cpu time spent up to now is 2318.1 secs Computing kpt #: 278 total cpu time spent up to now is 2328.1 secs Computing kpt #: 279 total cpu time spent up to now is 2338.5 secs Computing kpt #: 280 total cpu time spent up to now is 2347.7 secs Computing kpt #: 281 total cpu time spent up to now is 2356.8 secs Computing kpt #: 282 total cpu time spent up to now is 2365.9 secs Computing kpt #: 283 total cpu time spent up to now is 2373.9 secs Computing kpt #: 284 total cpu time spent up to now is 2382.5 secs Computing kpt #: 285 total cpu time spent up to now is 2390.9 secs Computing kpt #: 286 total cpu time spent up to now is 2399.3 secs Computing kpt #: 287 total cpu time spent up to now is 2407.6 secs Computing kpt #: 288 total cpu time spent up to now is 2417.2 secs Computing kpt #: 289 total cpu time spent up to now is 2425.2 secs Computing kpt #: 290 total cpu time spent up to now is 2433.5 secs Computing kpt #: 291 total cpu time spent up to now is 2441.7 secs Computing kpt #: 292 total cpu time spent up to now is 2449.4 secs Computing kpt #: 293 total cpu time spent up to now is 2457.1 secs Computing kpt #: 294 total cpu time spent up to now is 2465.4 secs Computing kpt #: 295 total cpu time spent up to now is 2473.1 secs Computing kpt #: 296 total cpu time spent up to now is 2480.9 secs Computing kpt #: 297 total cpu time spent up to now is 2488.5 secs ethr = 1.52E-11, avg # of iterations = 48.9 total cpu time spent up to now is 2488.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6799 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4418 -25.4418 -24.6360 -24.6360 -24.5845 -24.5845 -15.6241 -15.6241 -15.2602 -15.2602 -15.1215 -15.1215 -14.8140 -14.8140 -9.3619 -9.3619 -9.1284 -9.1284 -9.0784 -9.0784 -8.8795 -8.8795 -8.5416 -8.5416 -8.3887 -8.3887 -8.3433 -8.3433 -8.1599 -8.1599 -8.1004 -8.1004 -3.2926 -3.2926 -2.9026 -2.9026 -2.5186 -2.5186 -2.3603 -2.3603 -2.2974 -2.2974 -1.7989 -1.7989 -1.4956 -1.4956 -1.3127 -1.3127 -0.9674 -0.9674 0.6563 0.6563 0.6671 0.6671 0.7211 0.7211 2.9370 2.9370 4.0828 4.0828 4.4604 4.4604 4.7293 4.7293 5.1119 5.1119 5.6310 5.6310 7.0879 7.0879 7.2103 7.2103 k = 0.0000 0.0000 0.0182 ( 6815 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4418 -25.4418 -24.6360 -24.6360 -24.5845 -24.5845 -15.6246 -15.6241 -15.2614 -15.2598 -15.1223 -15.1207 -14.8145 -14.8136 -9.3624 -9.3615 -9.1291 -9.1283 -9.0792 -9.0783 -8.8811 -8.8760 -8.5436 -8.5391 -8.3890 -8.3881 -8.3445 -8.3420 -8.1636 -8.1567 -8.1025 -8.0986 -3.2952 -3.2916 -2.9046 -2.9012 -2.5230 -2.5149 -2.3636 -2.3583 -2.2987 -2.2969 -1.8014 -1.7975 -1.4962 -1.4927 -1.3176 -1.3084 -0.9706 -0.9653 0.6527 0.6572 0.6658 0.6685 0.7203 0.7231 2.9375 2.9397 4.0814 4.0844 4.4550 4.4638 4.7266 4.7322 5.1069 5.1172 5.6275 5.6344 7.0865 7.0875 7.2096 7.2119 k = 0.0000 0.0000 0.0365 ( 6817 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4417 -25.4417 -24.6359 -24.6359 -24.5846 -24.5846 -15.6254 -15.6245 -15.2620 -15.2590 -15.1228 -15.1197 -14.8150 -14.8130 -9.3631 -9.3612 -9.1303 -9.1288 -9.0806 -9.0787 -8.8809 -8.8707 -8.5450 -8.5361 -8.3891 -8.3871 -8.3455 -8.3407 -8.1679 -8.1541 -8.1048 -8.0971 -3.2976 -3.2900 -2.9058 -2.8993 -2.5272 -2.5107 -2.3682 -2.3569 -2.3004 -2.2969 -1.8034 -1.7956 -1.4944 -1.4874 -1.3227 -1.3042 -0.9747 -0.9642 0.6478 0.6547 0.6656 0.6689 0.7208 0.7263 2.9412 2.9456 4.0808 4.0868 4.4514 4.4683 4.7250 4.7360 5.1030 5.1232 5.6243 5.6381 7.0834 7.0855 7.2098 7.2145 k = 0.0000 0.0000 0.0547 ( 6809 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4417 -25.4416 -24.6358 -24.6358 -24.5848 -24.5848 -15.6267 -15.6253 -15.2625 -15.2580 -15.1231 -15.1183 -14.8153 -14.8125 -9.3639 -9.3611 -9.1320 -9.1299 -9.0826 -9.0795 -8.8789 -8.8638 -8.5458 -8.5326 -8.3889 -8.3856 -8.3461 -8.3395 -8.1726 -8.1522 -8.1073 -8.0959 -3.2999 -3.2884 -2.9065 -2.8971 -2.5317 -2.5061 -2.3742 -2.3561 -2.3025 -2.2971 -1.8053 -1.7940 -1.4904 -1.4798 -1.3276 -1.3003 -0.9797 -0.9639 0.6422 0.6500 0.6651 0.6681 0.7228 0.7305 2.9481 2.9547 4.0809 4.0900 4.4485 4.4729 4.7240 4.7407 5.1000 5.1300 5.6214 5.6420 7.0785 7.0818 7.2110 7.2179 k = 0.0000 0.0000 0.0730 ( 6811 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4415 -25.4415 -24.6357 -24.6357 -24.5850 -24.5850 -15.6285 -15.6266 -15.2630 -15.2573 -15.1232 -15.1169 -14.8157 -14.8119 -9.3649 -9.3612 -9.1341 -9.1316 -9.0850 -9.0807 -8.8752 -8.8554 -8.5460 -8.5289 -8.3888 -8.3839 -8.3462 -8.3383 -8.1777 -8.1509 -8.1100 -8.0949 -3.3027 -3.2876 -2.9071 -2.8950 -2.5369 -2.5014 -2.3822 -2.3557 -2.3047 -2.2973 -1.8074 -1.7929 -1.4846 -1.4702 -1.3331 -1.2968 -0.9857 -0.9646 0.6362 0.6444 0.6632 0.6657 0.7260 0.7355 2.9582 2.9671 4.0816 4.0937 4.4456 4.4769 4.7236 4.7458 5.0979 5.1371 5.6187 5.6459 7.0717 7.0761 7.2130 7.2223 k = 0.0000 0.0000 0.0912 ( 6813 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4414 -25.4414 -24.6355 -24.6355 -24.5853 -24.5853 -15.6306 -15.6283 -15.2636 -15.2567 -15.1230 -15.1155 -14.8159 -14.8114 -9.3659 -9.3614 -9.1367 -9.1339 -9.0876 -9.0821 -8.8700 -8.8456 -8.5455 -8.5250 -8.3888 -8.3818 -8.3456 -8.3372 -8.1833 -8.1503 -8.1130 -8.0943 -3.3058 -3.2872 -2.9079 -2.8929 -2.5430 -2.4967 -2.3921 -2.3556 -2.3066 -2.2972 -1.8096 -1.7924 -1.4772 -1.4590 -1.3385 -1.2938 -0.9924 -0.9664 0.6298 0.6382 0.6599 0.6621 0.7303 0.7410 2.9713 2.9826 4.0829 4.0980 4.4431 4.4806 4.7237 4.7514 5.0970 5.1440 5.6161 5.6499 7.0628 7.0686 7.2159 7.2274 k = 0.0000 0.0000 0.1094 ( 6803 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4412 -25.4412 -24.6353 -24.6353 -24.5856 -24.5856 -15.6330 -15.6303 -15.2638 -15.2557 -15.1226 -15.1138 -14.8161 -14.8108 -9.3671 -9.3618 -9.1398 -9.1366 -9.0904 -9.0835 -8.8634 -8.8348 -8.5443 -8.5209 -8.3889 -8.3794 -8.3441 -8.3361 -8.1891 -8.1504 -8.1161 -8.0940 -3.3084 -3.2868 -2.9079 -2.8902 -2.5499 -2.4914 -2.4034 -2.3552 -2.3079 -2.2962 -1.8113 -1.7919 -1.4685 -1.4464 -1.3436 -1.2910 -0.9998 -0.9689 0.6233 0.6316 0.6552 0.6572 0.7353 0.7471 2.9876 3.0013 4.0851 4.1029 4.4421 4.4853 4.7242 4.7579 5.0975 5.1515 5.6139 5.6542 7.0517 7.0589 7.2198 7.2334 k = 0.0000 0.0000 0.1277 ( 6813 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4410 -25.4410 -24.6351 -24.6351 -24.5859 -24.5859 -15.6357 -15.6327 -15.2643 -15.2552 -15.1220 -15.1123 -14.8162 -14.8102 -9.3683 -9.3623 -9.1432 -9.1396 -9.0932 -9.0849 -8.8557 -8.8230 -8.5426 -8.5170 -8.3892 -8.3769 -8.3417 -8.3349 -8.1951 -8.1512 -8.1195 -8.0941 -3.3117 -3.2871 -2.9081 -2.8879 -2.5582 -2.4866 -2.4159 -2.3548 -2.3086 -2.2950 -1.8135 -1.7924 -1.4594 -1.4330 -1.3489 -1.2892 -1.0078 -0.9724 0.6166 0.6248 0.6494 0.6512 0.7409 0.7533 3.0070 3.0232 4.0876 4.1082 4.4407 4.4883 4.7251 4.7646 5.0990 5.1586 5.6119 5.6583 7.0383 7.0470 7.2244 7.2402 k = 0.0000 0.0000 0.1459 ( 6809 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4408 -25.4408 -24.6349 -24.6348 -24.5864 -24.5864 -15.6387 -15.6354 -15.2643 -15.2543 -15.1212 -15.1105 -14.8162 -14.8097 -9.3696 -9.3630 -9.1470 -9.1429 -9.0959 -9.0861 -8.8470 -8.8104 -8.5403 -8.5131 -8.3896 -8.3743 -8.3385 -8.3336 -8.2014 -8.1526 -8.1231 -8.0945 -3.3144 -3.2875 -2.9076 -2.8849 -2.5673 -2.4819 -2.4285 -2.3535 -2.3084 -2.2930 -1.8154 -1.7929 -1.4500 -1.4191 -1.3537 -1.2875 -1.0164 -0.9766 0.6098 0.6178 0.6427 0.6444 0.7469 0.7598 3.0294 3.0482 4.0909 4.1141 4.4410 4.4923 4.7263 4.7721 5.1022 5.1659 5.6104 5.6627 7.0225 7.0329 7.2300 7.2476 k = 0.0000 0.0000 0.1642 ( 6825 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4406 -25.4406 -24.6346 -24.6345 -24.5868 -24.5868 -15.6420 -15.6384 -15.2649 -15.2545 -15.1204 -15.1088 -14.8162 -14.8092 -9.3709 -9.3638 -9.1512 -9.1462 -9.0985 -9.0873 -8.8374 -8.7972 -8.5374 -8.5097 -8.3900 -8.3719 -8.3346 -8.3319 -8.2078 -8.1547 -8.1269 -8.0954 -3.3189 -3.2887 -2.9072 -2.8831 -2.5780 -2.4794 -2.4398 -2.3520 -2.3076 -2.2909 -1.8183 -1.7948 -1.4412 -1.4054 -1.3582 -1.2867 -1.0254 -0.9815 0.6029 0.6107 0.6353 0.6369 0.7530 0.7662 3.0547 3.0763 4.0943 4.1204 4.4407 4.4933 4.7276 4.7789 5.1065 5.1729 5.6091 5.6667 7.0041 7.0164 7.2361 7.2557 k = 0.0000 0.0000 0.1824 ( 6827 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4403 -25.4403 -24.6342 -24.6342 -24.5874 -24.5874 -15.6454 -15.6417 -15.2650 -15.2541 -15.1192 -15.1070 -14.8161 -14.8087 -9.3723 -9.3647 -9.1555 -9.1497 -9.1008 -9.0882 -8.8272 -8.7835 -8.5341 -8.5067 -8.3903 -8.3698 -8.3300 -8.3297 -8.2143 -8.1573 -8.1308 -8.0966 -3.3222 -3.2899 -2.9063 -2.8806 -2.5890 -2.4814 -2.4462 -2.3493 -2.3058 -2.2880 -1.8209 -1.7967 -1.4333 -1.3919 -1.3614 -1.2862 -1.0346 -0.9871 0.5960 0.6036 0.6274 0.6288 0.7592 0.7726 3.0829 3.1075 4.0985 4.1271 4.4421 4.4952 4.7290 4.7863 5.1126 5.1801 5.6083 5.6709 6.9832 6.9976 7.2430 7.2643 k = 0.0000 0.0000 0.2006 ( 6823 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4400 -25.4400 -24.6339 -24.6339 -24.5879 -24.5879 -15.6490 -15.6451 -15.2650 -15.2537 -15.1178 -15.1052 -14.8158 -14.8082 -9.3736 -9.3657 -9.1600 -9.1531 -9.1028 -9.0890 -8.8163 -8.7694 -8.5304 -8.5043 -8.3904 -8.3680 -8.3269 -8.3247 -8.2207 -8.1605 -8.1350 -8.0983 -3.3252 -3.2913 -2.9049 -2.8779 -2.6006 -2.4899 -2.4460 -2.3456 -2.3033 -2.2847 -1.8234 -1.7988 -1.4271 -1.3795 -1.3630 -1.2859 -1.0439 -0.9931 0.5891 0.5964 0.6191 0.6204 0.7654 0.7789 3.1140 3.1417 4.1035 4.1344 4.4443 4.4968 4.7304 4.7940 5.1205 5.1871 5.6081 5.6751 6.9598 6.9765 7.2506 7.2735 k = 0.0000 0.0000 0.2189 ( 6827 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4397 -25.4397 -24.6335 -24.6335 -24.5885 -24.5885 -15.6528 -15.6487 -15.2651 -15.2536 -15.1163 -15.1036 -14.8155 -14.8077 -9.3749 -9.3667 -9.1645 -9.1564 -9.1046 -9.0895 -8.8049 -8.7550 -8.5264 -8.5024 -8.3902 -8.3664 -8.3234 -8.3191 -8.2272 -8.1641 -8.1394 -8.1005 -3.3284 -3.2933 -2.9035 -2.8758 -2.6125 -2.5020 -2.4421 -2.3413 -2.3002 -2.2812 -1.8264 -1.8015 -1.4233 -1.3698 -1.3616 -1.2862 -1.0534 -0.9997 0.5822 0.5892 0.6106 0.6117 0.7715 0.7850 3.1478 3.1787 4.1089 4.1419 4.4466 4.4972 4.7317 4.8011 5.1298 5.1939 5.6082 5.6791 6.9340 6.9533 7.2588 7.2831 k = 0.0000 0.0000 0.2371 ( 6847 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4394 -25.4394 -24.6331 -24.6331 -24.5891 -24.5891 -15.6566 -15.6525 -15.2656 -15.2544 -15.1151 -15.1022 -14.8151 -14.8073 -9.3763 -9.3678 -9.1690 -9.1598 -9.1060 -9.0899 -8.7931 -8.7405 -8.5224 -8.5011 -8.3901 -8.3649 -8.3193 -8.3132 -8.2335 -8.1680 -8.1441 -8.1031 -3.3325 -3.2958 -2.9023 -2.8750 -2.6245 -2.5151 -2.4370 -2.3369 -2.2966 -2.2775 -1.8304 -1.8051 -1.4222 -1.3659 -1.3544 -1.2871 -1.0629 -1.0068 0.5753 0.5820 0.6020 0.6029 0.7775 0.7909 3.1840 3.2185 4.1143 4.1498 4.4486 4.4953 4.7327 4.8068 5.1405 5.2005 5.6088 5.6825 6.9059 6.9278 7.2671 7.2929 k = 0.0000 0.0000 0.2554 ( 6851 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4391 -25.4391 -24.6327 -24.6327 -24.5898 -24.5898 -15.6605 -15.6563 -15.2656 -15.2546 -15.1134 -15.1006 -14.8146 -14.8068 -9.3775 -9.3689 -9.1734 -9.1630 -9.1072 -9.0900 -8.7810 -8.7257 -8.5186 -8.5001 -8.3901 -8.3632 -8.3146 -8.3072 -8.2395 -8.1723 -8.1491 -8.1062 -3.3358 -3.2982 -2.9002 -2.8735 -2.6355 -2.5280 -2.4309 -2.3315 -2.2924 -2.2734 -1.8339 -1.8085 -1.4228 -1.3636 -1.3459 -1.2880 -1.0723 -1.0142 0.5685 0.5749 0.5935 0.5943 0.7833 0.7966 3.2228 3.2609 4.1204 4.1580 4.4521 4.4946 4.7336 4.8129 5.1533 5.2076 5.6102 5.6859 6.8757 6.9005 7.2758 7.3030 k = 0.0000 0.0000 0.2736 ( 6839 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4387 -25.4387 -24.6323 -24.6323 -24.5905 -24.5904 -15.6644 -15.6602 -15.2652 -15.2544 -15.1116 -15.0990 -14.8140 -14.8064 -9.3787 -9.3700 -9.1777 -9.1662 -9.1079 -9.0898 -8.7685 -8.7110 -8.5156 -8.4989 -8.3905 -8.3609 -8.3097 -8.3012 -8.2452 -8.1768 -8.1542 -8.1097 -3.3382 -3.3002 -2.8972 -2.8716 -2.6455 -2.5403 -2.4241 -2.3255 -2.2876 -2.2690 -1.8372 -1.8115 -1.4247 -1.3612 -1.3386 -1.2889 -1.0814 -1.0219 0.5618 0.5679 0.5853 0.5860 0.7889 0.8020 3.2639 3.3058 4.1274 4.1665 4.4571 4.4944 4.7342 4.8191 5.1681 5.2150 5.6125 5.6893 6.8437 6.8715 7.2845 7.3132 k = 0.0000 0.0000 0.2918 ( 6835 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4384 -25.4383 -24.6319 -24.6318 -24.5912 -24.5911 -15.6683 -15.6641 -15.2650 -15.2546 -15.1097 -15.0976 -14.8133 -14.8060 -9.3798 -9.3710 -9.1818 -9.1693 -9.1083 -9.0894 -8.7558 -8.6962 -8.5139 -8.4969 -8.3914 -8.3579 -8.3046 -8.2954 -8.2504 -8.1813 -8.1596 -8.1136 -3.3407 -3.3028 -2.8943 -2.8705 -2.6543 -2.5517 -2.4176 -2.3195 -2.2824 -2.2644 -1.8410 -1.8151 -1.4277 -1.3594 -1.3332 -1.2901 -1.0905 -1.0299 0.5552 0.5610 0.5772 0.5781 0.7942 0.8071 3.3070 3.3530 4.1346 4.1752 4.4611 4.4937 4.7345 4.8243 5.1844 5.2226 5.6155 5.6923 6.8099 6.8407 7.2926 7.3233 k = 0.0000 0.0000 0.3101 ( 6835 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4380 -25.4380 -24.6314 -24.6314 -24.5919 -24.5919 -15.6722 -15.6680 -15.2652 -15.2551 -15.1080 -15.0963 -14.8126 -14.8056 -9.3808 -9.3720 -9.1858 -9.1723 -9.1084 -9.0888 -8.7430 -8.6816 -8.5139 -8.4939 -8.3928 -8.3541 -8.2997 -8.2899 -8.2548 -8.1860 -8.1653 -8.1180 -3.3435 -3.3059 -2.8918 -2.8704 -2.6617 -2.5622 -2.4118 -2.3139 -2.2770 -2.2597 -1.8453 -1.8192 -1.4312 -1.3583 -1.3296 -1.2914 -1.0995 -1.0380 0.5488 0.5543 0.5695 0.5706 0.7993 0.8118 3.3519 3.4022 4.1421 4.1839 4.4632 4.4929 4.7344 4.8284 5.2021 5.2307 5.6192 5.6947 6.7746 6.8086 7.2995 7.3331 k = 0.0000 0.0000 0.3283 ( 6843 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4376 -25.4376 -24.6310 -24.6309 -24.5926 -24.5926 -15.6760 -15.6719 -15.2655 -15.2559 -15.1062 -15.0951 -14.8118 -14.8052 -9.3817 -9.3729 -9.1895 -9.1753 -9.1081 -9.0879 -8.7301 -8.6672 -8.5151 -8.4903 -8.3944 -8.3498 -8.2955 -8.2848 -8.2580 -8.1906 -8.1711 -8.1228 -3.3464 -3.3092 -2.8890 -2.8708 -2.6674 -2.5716 -2.4063 -2.3088 -2.2712 -2.2549 -1.8499 -1.8233 -1.4349 -1.3583 -1.3277 -1.2928 -1.1084 -1.0463 0.5425 0.5480 0.5621 0.5636 0.8040 0.8162 3.3983 3.4531 4.1496 4.1927 4.4632 4.4929 4.7342 4.8317 5.2212 5.2394 5.6237 5.6967 6.7380 6.7750 7.3041 7.3424 k = 0.0000 0.0000 0.3466 ( 6849 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4372 -25.4372 -24.6305 -24.6305 -24.5933 -24.5933 -15.6797 -15.6757 -15.2657 -15.2567 -15.1045 -15.0941 -14.8109 -14.8049 -9.3825 -9.3737 -9.1931 -9.1782 -9.1074 -9.0869 -8.7170 -8.6530 -8.5171 -8.4868 -8.3959 -8.3450 -8.2928 -8.2800 -8.2595 -8.1951 -8.1770 -8.1280 -3.3491 -3.3126 -2.8862 -2.8718 -2.6714 -2.5799 -2.4009 -2.3041 -2.2653 -2.2500 -1.8546 -1.8275 -1.4387 -1.3593 -1.3273 -1.2946 -1.1173 -1.0548 0.5366 0.5420 0.5552 0.5571 0.8084 0.8203 3.4460 3.5055 4.1576 4.2016 4.4612 4.4953 4.7337 4.8344 5.2413 5.2490 5.6292 5.6983 6.7004 6.7403 7.3054 7.3510 k = 0.0000 0.0000 0.3648 ( 6839 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4369 -25.4369 -24.6301 -24.6300 -24.5940 -24.5940 -15.6833 -15.6795 -15.2653 -15.2572 -15.1027 -15.0930 -14.8100 -14.8045 -9.3831 -9.3744 -9.1964 -9.1810 -9.1064 -9.0856 -8.7040 -8.6391 -8.5195 -8.4836 -8.3971 -8.3400 -8.2921 -8.2753 -8.2593 -8.1993 -8.1829 -8.1336 -3.3511 -3.3152 -2.8830 -2.8724 -2.6734 -2.5868 -2.3952 -2.2997 -2.2592 -2.2449 -1.8591 -1.8312 -1.4422 -1.3613 -1.3281 -1.2970 -1.1260 -1.0632 0.5310 0.5365 0.5488 0.5510 0.8125 0.8240 3.4948 3.5592 4.1660 4.2105 4.4575 4.5006 4.7334 4.8369 5.2579 5.2640 5.6359 5.6998 6.6620 6.7046 7.3030 7.3583 k = 0.0000 0.0000 0.3830 ( 6831 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4365 -25.4365 -24.6296 -24.6296 -24.5947 -24.5947 -15.6868 -15.6831 -15.2652 -15.2576 -15.1010 -15.0921 -14.8091 -14.8041 -9.3836 -9.3750 -9.1995 -9.1837 -9.1051 -9.0841 -8.6910 -8.6256 -8.5221 -8.4812 -8.3977 -8.3348 -8.2931 -8.2706 -8.2580 -8.2032 -8.1887 -8.1394 -3.3528 -3.3181 -2.8803 -2.8728 -2.6738 -2.5926 -2.3900 -2.2958 -2.2532 -2.2399 -1.8636 -1.8351 -1.4455 -1.3643 -1.3296 -1.3001 -1.1347 -1.0716 0.5258 0.5315 0.5429 0.5455 0.8163 0.8273 3.5442 3.6136 4.1748 4.2193 4.4524 4.5060 4.7333 4.8391 5.2690 5.2860 5.6433 5.7013 6.6229 6.6679 7.2971 7.3633 k = 0.0000 0.0000 0.4013 ( 6839 PWs) bands (ev): -76.1550 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4361 -25.4361 -24.6291 -24.6291 -24.5955 -24.5955 -15.6901 -15.6866 -15.2655 -15.2589 -15.0996 -15.0915 -14.8082 -14.8037 -9.3840 -9.3755 -9.2024 -9.1864 -9.1035 -9.0825 -8.6781 -8.6126 -8.5248 -8.4799 -8.3974 -8.3297 -8.2952 -8.2660 -8.2563 -8.2068 -8.1942 -8.1456 -3.3555 -3.3214 -2.8803 -2.8730 -2.6727 -2.5975 -2.3855 -2.2932 -2.2475 -2.2350 -1.8686 -1.8393 -1.4488 -1.3685 -1.3320 -1.3042 -1.1434 -1.0802 0.5211 0.5270 0.5375 0.5406 0.8197 0.8303 3.5935 3.6682 4.1833 4.2279 4.4450 4.5101 4.7335 4.8401 5.2802 5.3089 5.6506 5.7029 6.5832 6.6303 7.2880 7.3643 k = 0.0000 0.0000 0.4195 ( 6831 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4358 -25.4358 -24.6287 -24.6287 -24.5962 -24.5961 -15.6933 -15.6899 -15.2654 -15.2594 -15.0981 -15.0908 -14.8072 -14.8033 -9.3842 -9.3759 -9.2050 -9.1889 -9.1017 -9.0808 -8.6653 -8.6002 -8.5274 -8.4797 -8.3960 -8.3248 -8.2976 -8.2616 -8.2551 -8.2101 -8.1989 -8.1519 -3.3566 -3.3242 -2.8808 -2.8706 -2.6701 -2.6010 -2.3807 -2.2904 -2.2420 -2.2303 -1.8729 -1.8432 -1.4515 -1.3732 -1.3348 -1.3092 -1.1519 -1.0885 0.5168 0.5230 0.5326 0.5361 0.8229 0.8329 3.6431 3.7228 4.1924 4.2364 4.4378 4.5151 4.7346 4.8420 5.2920 5.3325 5.6578 5.7063 6.5433 6.5921 7.2785 7.3613 k = 0.0000 0.0000 0.4378 ( 6839 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4355 -25.4354 -24.6283 -24.6282 -24.5968 -24.5968 -15.6963 -15.6932 -15.2658 -15.2604 -15.0969 -15.0904 -14.8064 -14.8030 -9.3844 -9.3762 -9.2074 -9.1914 -9.0996 -9.0789 -8.6527 -8.5885 -8.5299 -8.4807 -8.3936 -8.3202 -8.2999 -8.2578 -8.2545 -8.2134 -8.2024 -8.1585 -3.3585 -3.3277 -2.8827 -2.8685 -2.6662 -2.6035 -2.3769 -2.2888 -2.2370 -2.2260 -1.8774 -1.8474 -1.4539 -1.3784 -1.3383 -1.3152 -1.1601 -1.0969 0.5129 0.5194 0.5283 0.5322 0.8257 0.8352 3.6917 3.7767 4.2015 4.2446 4.4294 4.5177 4.7367 4.8434 5.3042 5.3566 5.6626 5.7125 6.5030 6.5531 7.2681 7.3555 k = 0.0000 0.0000 0.4560 ( 6831 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4351 -25.4351 -24.6279 -24.6278 -24.5975 -24.5975 -15.6992 -15.6962 -15.2655 -15.2607 -15.0956 -15.0899 -14.8054 -14.8026 -9.3844 -9.3764 -9.2096 -9.1938 -9.0973 -9.0771 -8.6403 -8.5774 -8.5322 -8.4827 -8.3901 -8.3162 -8.3018 -8.2557 -8.2540 -8.2166 -8.2044 -8.1651 -3.3593 -3.3304 -2.8835 -2.8655 -2.6613 -2.6049 -2.3724 -2.2870 -2.2324 -2.2220 -1.8813 -1.8513 -1.4556 -1.3839 -1.3421 -1.3217 -1.1679 -1.1051 0.5094 0.5161 0.5247 0.5289 0.8282 0.8371 3.7398 3.8297 4.2111 4.2526 4.4214 4.5207 4.7405 4.8459 5.3169 5.3813 5.6648 5.7232 6.4627 6.5139 7.2585 7.3492 k = 0.0000 0.0000 0.4742 ( 6829 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4348 -25.4348 -24.6275 -24.6274 -24.5981 -24.5981 -15.7018 -15.6990 -15.2655 -15.2613 -15.0945 -15.0895 -14.8046 -14.8022 -9.3843 -9.3766 -9.2115 -9.1962 -9.0948 -9.0752 -8.6283 -8.5673 -8.5343 -8.4857 -8.3857 -8.3133 -8.3028 -8.2569 -8.2523 -8.2194 -8.2052 -8.1718 -3.3602 -3.3332 -2.8845 -2.8633 -2.6555 -2.6053 -2.3684 -2.2863 -2.2284 -2.2185 -1.8851 -1.8553 -1.4569 -1.3898 -1.3467 -1.3287 -1.1751 -1.1132 0.5063 0.5129 0.5220 0.5262 0.8305 0.8388 3.7862 3.8808 4.2208 4.2603 4.4126 4.5215 4.7458 4.8484 5.3295 5.4063 5.6637 5.7380 6.4221 6.4743 7.2493 7.3425 k = 0.0000 0.0000 0.4925 ( 6829 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4345 -25.4345 -24.6271 -24.6270 -24.5987 -24.5987 -15.7043 -15.7017 -15.2657 -15.2620 -15.0935 -15.0893 -14.8038 -14.8018 -9.3840 -9.3767 -9.2132 -9.1984 -9.0922 -9.0734 -8.6166 -8.5581 -8.5360 -8.4894 -8.3805 -8.3119 -8.3024 -8.2593 -8.2514 -8.2211 -8.2053 -8.1783 -3.3611 -3.3361 -2.8854 -2.8615 -2.6491 -2.6048 -2.3646 -2.2862 -2.2249 -2.2156 -1.8886 -1.8593 -1.4578 -1.3957 -1.3519 -1.3359 -1.1816 -1.1211 0.5034 0.5098 0.5200 0.5241 0.8325 0.8402 3.8307 3.9293 4.2308 4.2676 4.4033 4.5205 4.7527 4.8511 5.3421 5.4318 5.6605 5.7561 6.3812 6.4346 7.2412 7.3359 k = 0.0000 0.0000 0.5107 ( 6823 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4342 -25.4342 -24.6267 -24.6267 -24.5992 -24.5992 -15.7065 -15.7041 -15.2655 -15.2626 -15.0927 -15.0890 -14.8031 -14.8015 -9.3837 -9.3768 -9.2146 -9.2005 -9.0895 -9.0717 -8.6054 -8.5502 -8.5372 -8.4934 -8.3749 -8.3119 -8.3007 -8.2625 -8.2516 -8.2214 -8.2052 -8.1846 -3.3615 -3.3384 -2.8856 -2.8595 -2.6422 -2.6034 -2.3605 -2.2865 -2.2219 -2.2132 -1.8916 -1.8633 -1.4581 -1.4014 -1.3578 -1.3431 -1.1873 -1.1288 0.5009 0.5068 0.5187 0.5224 0.8343 0.8413 3.8733 3.9748 4.2414 4.2745 4.3943 4.5185 4.7620 4.8544 5.3546 5.4577 5.6565 5.7770 6.3400 6.3952 7.2346 7.3297 k = 0.0000 0.0000 0.5289 ( 6831 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4340 -25.4340 -24.6264 -24.6264 -24.5998 -24.5997 -15.7086 -15.7064 -15.2659 -15.2633 -15.0921 -15.0890 -14.8024 -14.8012 -9.3834 -9.3769 -9.2158 -9.2025 -9.0868 -9.0701 -8.5946 -8.5441 -8.5373 -8.4978 -8.3688 -8.3122 -8.2988 -8.2665 -8.2525 -8.2207 -8.2055 -8.1903 -3.3624 -3.3413 -2.8859 -2.8593 -2.6350 -2.6015 -2.3571 -2.2877 -2.2193 -2.2114 -1.8947 -1.8676 -1.4580 -1.4070 -1.3644 -1.3501 -1.1921 -1.1365 0.4986 0.5039 0.5179 0.5213 0.8358 0.8422 3.9128 4.0159 4.2528 4.2811 4.3852 4.5133 4.7723 4.8577 5.3668 5.4833 5.6516 5.7998 6.2979 6.3562 7.2294 7.3237 k = 0.0000 0.0000 0.5472 ( 6825 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4337 -25.4337 -24.6261 -24.6261 -24.6002 -24.6002 -15.7104 -15.7085 -15.2660 -15.2638 -15.0914 -15.0888 -14.8018 -14.8009 -9.3829 -9.3769 -9.2167 -9.2045 -9.0840 -9.0687 -8.5843 -8.5417 -8.5344 -8.5023 -8.3625 -8.3125 -8.2972 -8.2709 -8.2536 -8.2195 -8.2069 -8.1945 -3.3626 -3.3436 -2.8854 -2.8588 -2.6278 -2.5990 -2.3531 -2.2892 -2.2173 -2.2100 -1.8971 -1.8718 -1.4572 -1.4123 -1.3713 -1.3569 -1.1958 -1.1438 0.4966 0.5013 0.5176 0.5206 0.8371 0.8429 3.9499 4.0525 4.2654 4.2873 4.3766 4.5071 4.7844 4.8617 5.3788 5.5076 5.6489 5.8246 6.2550 6.3182 7.2264 7.3182 k = 0.0000 0.0000 0.5654 ( 6825 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4335 -25.4335 -24.6258 -24.6258 -24.6006 -24.6006 -15.7119 -15.7103 -15.2662 -15.2645 -15.0908 -15.0887 -14.8012 -14.8005 -9.3825 -9.3770 -9.2173 -9.2063 -9.0813 -9.0675 -8.5747 -8.5413 -8.5303 -8.5067 -8.3561 -8.3124 -8.2963 -8.2756 -8.2545 -8.2184 -8.2095 -8.1969 -3.3629 -3.3460 -2.8849 -2.8590 -2.6206 -2.5963 -2.3491 -2.2913 -2.2157 -2.2092 -1.8992 -1.8759 -1.4561 -1.4172 -1.3782 -1.3634 -1.1985 -1.1508 0.4948 0.4989 0.5176 0.5201 0.8383 0.8434 3.9839 4.0830 4.2795 4.2931 4.3682 4.4992 4.7971 4.8655 5.3906 5.5276 5.6507 5.8505 6.2108 6.2812 7.2256 7.3129 k = 0.0000 0.0000 0.5837 ( 6815 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4333 -25.4333 -24.6256 -24.6255 -24.6010 -24.6010 -15.7133 -15.7119 -15.2659 -15.2646 -15.0903 -15.0886 -14.8007 -14.8003 -9.3819 -9.3771 -9.2177 -9.2080 -9.0787 -9.0665 -8.5658 -8.5410 -8.5270 -8.5109 -8.3497 -8.3119 -8.2961 -8.2802 -8.2550 -8.2194 -8.2113 -8.1979 -3.3624 -3.3476 -2.8830 -2.8589 -2.6137 -2.5934 -2.3446 -2.2935 -2.2144 -2.2087 -1.9006 -1.8797 -1.4544 -1.4216 -1.3845 -1.3699 -1.2001 -1.1576 0.4933 0.4968 0.5179 0.5200 0.8393 0.8437 4.0151 4.1079 4.2952 4.2988 4.3605 4.4903 4.8107 4.8698 5.4026 5.5394 5.6620 5.8779 6.1659 6.2459 7.2270 7.3078 k = 0.0000 0.0000 0.6019 ( 6811 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2810 -25.4332 -25.4332 -24.6254 -24.6253 -24.6013 -24.6013 -15.7144 -15.7132 -15.2658 -15.2648 -15.0899 -15.0886 -14.8003 -14.8000 -9.3814 -9.3773 -9.2179 -9.2096 -9.0763 -9.0659 -8.5578 -8.5403 -8.5250 -8.5146 -8.3434 -8.3110 -8.2969 -8.2845 -8.2550 -8.2232 -8.2107 -8.1985 -3.3619 -3.3496 -2.8809 -2.8598 -2.6071 -2.5907 -2.3404 -2.2964 -2.2135 -2.2086 -1.9016 -1.8835 -1.4524 -1.4255 -1.3902 -1.3761 -1.2006 -1.1641 0.4921 0.4949 0.5183 0.5200 0.8402 0.8439 4.0428 4.1260 4.3034 4.3132 4.3533 4.4797 4.8241 4.8734 5.4148 5.5412 5.6842 5.9059 6.1200 6.2118 7.2304 7.3025 k = 0.0000 0.0000 0.6201 ( 6823 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4330 -25.4330 -24.6252 -24.6252 -24.6016 -24.6016 -15.7154 -15.7144 -15.2662 -15.2654 -15.0898 -15.0888 -14.8000 -14.7998 -9.3809 -9.3775 -9.2179 -9.2111 -9.0740 -9.0655 -8.5508 -8.5390 -8.5250 -8.5173 -8.3373 -8.3098 -8.2988 -8.2882 -8.2544 -8.2280 -8.2091 -8.1990 -3.3618 -3.3521 -2.8794 -2.8619 -2.6013 -2.5884 -2.3365 -2.3003 -2.2128 -2.2089 -1.9023 -1.8875 -1.4503 -1.4293 -1.3949 -1.3822 -1.2003 -1.1703 0.4911 0.4934 0.5187 0.5200 0.8410 0.8439 4.0665 4.1369 4.3083 4.3319 4.3467 4.4674 4.8362 4.8758 5.4273 5.5352 5.7148 5.9333 6.0735 6.1785 7.2354 7.2966 k = 0.0000 0.0000 0.6384 ( 6823 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4329 -25.4329 -24.6250 -24.6250 -24.6018 -24.6018 -15.7161 -15.7153 -15.2663 -15.2656 -15.0895 -15.0888 -14.7998 -14.7997 -9.3803 -9.3778 -9.2176 -9.2125 -9.0719 -9.0654 -8.5452 -8.5366 -8.5269 -8.5189 -8.3314 -8.3083 -8.3016 -8.2914 -8.2531 -8.2328 -8.2074 -8.1997 -3.3612 -3.3541 -2.8773 -2.8636 -2.5962 -2.5867 -2.3322 -2.3044 -2.2122 -2.2093 -1.9022 -1.8909 -1.4478 -1.4324 -1.3983 -1.3877 -1.1990 -1.1760 0.4904 0.4921 0.5192 0.5201 0.8416 0.8438 4.0873 4.1422 4.3129 4.3404 4.3518 4.4542 4.8477 4.8773 5.4404 5.5247 5.7517 5.9599 6.0286 6.1465 7.2422 7.2903 k = 0.0000 0.0000 0.6566 ( 6826 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4329 -25.4329 -24.6249 -24.6249 -24.6019 -24.6019 -15.7165 -15.7160 -15.2664 -15.2658 -15.0894 -15.0889 -14.7997 -14.7996 -9.3798 -9.3781 -9.2172 -9.2137 -9.0701 -9.0657 -8.5413 -8.5331 -8.5297 -8.5205 -8.3259 -8.3080 -8.3036 -8.2942 -8.2511 -8.2374 -8.2057 -8.2005 -3.3604 -3.3559 -2.8750 -2.8658 -2.5920 -2.5858 -2.3277 -2.3087 -2.2117 -2.2097 -1.9017 -1.8941 -1.4453 -1.4353 -1.4001 -1.3926 -1.1968 -1.1813 0.4900 0.4911 0.5196 0.5202 0.8422 0.8436 4.1048 4.1428 4.3173 4.3352 4.3710 4.4398 4.8575 4.8772 5.4541 5.5117 5.7922 5.9655 6.0046 6.1153 7.2501 7.2833 k = 0.0000 0.0000 0.6749 ( 6830 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6249 -24.6249 -24.6020 -24.6020 -15.7168 -15.7165 -15.2663 -15.2660 -15.0892 -15.0890 -14.7996 -14.7995 -9.3793 -9.3784 -9.2166 -9.2148 -9.0685 -9.0663 -8.5383 -8.5326 -8.5292 -8.5226 -8.3207 -8.3113 -8.3022 -8.2970 -8.2485 -8.2416 -8.2041 -8.2015 -3.3596 -3.3573 -2.8726 -2.8680 -2.5889 -2.5858 -2.3230 -2.3133 -2.2113 -2.2103 -1.9006 -1.8967 -1.4428 -1.4379 -1.4004 -1.3965 -1.1939 -1.1861 0.4898 0.4904 0.5199 0.5202 0.8426 0.8434 4.1193 4.1388 4.3216 4.3304 4.3897 4.4243 4.8655 4.8754 5.4683 5.4975 5.8355 5.9257 6.0265 6.0849 7.2586 7.2755 k = 0.0000 0.0000 0.6931 ( 6846 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6249 -24.6249 -24.6021 -24.6021 -15.7168 -15.7168 -15.2666 -15.2666 -15.0893 -15.0893 -14.7996 -14.7996 -9.3789 -9.3789 -9.2158 -9.2158 -9.0673 -9.0673 -8.5355 -8.5355 -8.5255 -8.5255 -8.3158 -8.3158 -8.2997 -8.2997 -8.2453 -8.2453 -8.2028 -8.2028 -3.3592 -3.3592 -2.8713 -2.8713 -2.5869 -2.5869 -2.3186 -2.3186 -2.2109 -2.2109 -1.8991 -1.8991 -1.4406 -1.4406 -1.3993 -1.3993 -1.1904 -1.1904 0.4899 0.4899 0.5201 0.5201 0.8430 0.8430 4.1297 4.1297 4.3258 4.3258 4.4073 4.4073 4.8709 4.8709 5.4827 5.4827 5.8798 5.8798 6.0547 6.0547 7.2671 7.2671 k = 0.0000 0.0000 0.6931 ( 6846 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6249 -24.6249 -24.6021 -24.6021 -15.7168 -15.7168 -15.2666 -15.2666 -15.0893 -15.0893 -14.7996 -14.7996 -9.3789 -9.3789 -9.2158 -9.2158 -9.0673 -9.0673 -8.5355 -8.5355 -8.5255 -8.5255 -8.3158 -8.3158 -8.2997 -8.2997 -8.2453 -8.2453 -8.2028 -8.2028 -3.3592 -3.3592 -2.8713 -2.8713 -2.5869 -2.5869 -2.3186 -2.3186 -2.2109 -2.2109 -1.8991 -1.8991 -1.4406 -1.4406 -1.3993 -1.3993 -1.1904 -1.1904 0.4899 0.4899 0.5201 0.5201 0.8430 0.8430 4.1297 4.1297 4.3258 4.3258 4.4073 4.4073 4.8709 4.8709 5.4827 5.4827 5.8798 5.8798 6.0547 6.0547 7.2671 7.2671 k =-0.0129 0.0124 0.6931 ( 6838 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6248 -24.6248 -24.6021 -24.6021 -15.7168 -15.7168 -15.2681 -15.2643 -15.0895 -15.0892 -14.8014 -14.7976 -9.3796 -9.3778 -9.2160 -9.2151 -9.0678 -9.0670 -8.5421 -8.5302 -8.5260 -8.5244 -8.3211 -8.3104 -8.3013 -8.2979 -8.2461 -8.2440 -8.2026 -8.2026 -3.3600 -3.3589 -2.8722 -2.8693 -2.5880 -2.5849 -2.3223 -2.3150 -2.2130 -2.2094 -1.9051 -1.8927 -1.4455 -1.4382 -1.3995 -1.3965 -1.1945 -1.1846 0.4896 0.4899 0.5197 0.5202 0.8433 0.8436 4.1273 4.1299 4.3234 4.3267 4.4075 4.4086 4.8693 4.8749 5.4803 5.4860 5.8683 5.8933 6.0473 6.0659 7.2598 7.2652 k =-0.0258 0.0248 0.6931 ( 6838 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6247 -24.6247 -24.6022 -24.6022 -15.7169 -15.7168 -15.2699 -15.2624 -15.0900 -15.0893 -14.8033 -14.7957 -9.3801 -9.3766 -9.2158 -9.2140 -9.0685 -9.0669 -8.5491 -8.5307 -8.5234 -8.5214 -8.3260 -8.3052 -8.3028 -8.2957 -8.2462 -8.2420 -8.2024 -8.2023 -3.3629 -3.3607 -2.8747 -2.8686 -2.5884 -2.5825 -2.3276 -2.3132 -2.2158 -2.2086 -1.9109 -1.8863 -1.4520 -1.4393 -1.3967 -1.3923 -1.1971 -1.1771 0.4888 0.4895 0.5190 0.5200 0.8444 0.8449 4.1198 4.1248 4.3193 4.3262 4.4084 4.4107 4.8687 4.8798 5.4785 5.4899 5.8577 5.9075 6.0430 6.0798 7.2441 7.2544 k =-0.0388 0.0372 0.6931 ( 6826 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4328 -25.4328 -24.6246 -24.6246 -24.6023 -24.6023 -15.7169 -15.7169 -15.2711 -15.2601 -15.0904 -15.0895 -14.8052 -14.7937 -9.3803 -9.3751 -9.2150 -9.2124 -9.0694 -9.0671 -8.5563 -8.5334 -8.5228 -8.5153 -8.3307 -8.3042 -8.3009 -8.2926 -8.2457 -8.2396 -8.2019 -8.2017 -3.3666 -3.3631 -2.8770 -2.8670 -2.5880 -2.5795 -2.3328 -2.3119 -2.2190 -2.2085 -1.9161 -1.8796 -1.4588 -1.4430 -1.3915 -1.3876 -1.1980 -1.1680 0.4877 0.4887 0.5181 0.5195 0.8463 0.8471 4.1099 4.1171 4.3138 4.3246 4.4101 4.4139 4.8702 4.8865 5.4776 5.4947 5.8490 5.9232 6.0424 6.0968 7.2221 7.2369 k =-0.0517 0.0496 0.6931 ( 6810 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2810 -25.4328 -25.4328 -24.6244 -24.6244 -24.6026 -24.6025 -15.7170 -15.7169 -15.2722 -15.2578 -15.0910 -15.0898 -14.8071 -14.7918 -9.3802 -9.3734 -9.2138 -9.2105 -9.0706 -9.0674 -8.5636 -8.5367 -8.5224 -8.5092 -8.3349 -8.3056 -8.2980 -8.2879 -8.2444 -8.2367 -8.2013 -8.2008 -3.3715 -3.3667 -2.8800 -2.8655 -2.5866 -2.5762 -2.3384 -2.3118 -2.2228 -2.2093 -1.9207 -1.8728 -1.4655 -1.4484 -1.3851 -1.3826 -1.1973 -1.1574 0.4863 0.4876 0.5170 0.5189 0.8489 0.8499 4.0964 4.1058 4.3068 4.3218 4.4122 4.4178 4.8734 4.8942 5.4774 5.5003 5.8420 5.9401 6.0451 6.1164 7.1952 7.2147 k =-0.0646 0.0620 0.6931 ( 6814 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2810 -25.4328 -25.4328 -24.6241 -24.6241 -24.6028 -24.6028 -15.7172 -15.7171 -15.2739 -15.2558 -15.0920 -15.0906 -14.8091 -14.7899 -9.3798 -9.3715 -9.2120 -9.2082 -9.0720 -9.0679 -8.5711 -8.5406 -8.5221 -8.5033 -8.3388 -8.3069 -8.2961 -8.2824 -8.2427 -8.2336 -8.2007 -8.1995 -3.3786 -3.3725 -2.8847 -2.8656 -2.5844 -2.5727 -2.3452 -2.3134 -2.2271 -2.2108 -1.9251 -1.8665 -1.4722 -1.4549 -1.3785 -1.3779 -1.1953 -1.1456 0.4845 0.4863 0.5157 0.5180 0.8522 0.8534 4.0784 4.0901 4.2984 4.3178 4.4139 4.4218 4.8779 4.9021 5.4779 5.5066 5.8357 5.9581 6.0507 6.1377 7.1646 7.1895 k =-0.0775 0.0744 0.6931 ( 6810 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2810 -25.4328 -25.4328 -24.6237 -24.6237 -24.6031 -24.6031 -15.7173 -15.7172 -15.2754 -15.2536 -15.0931 -15.0915 -14.8110 -14.7880 -9.3792 -9.3694 -9.2098 -9.2057 -9.0735 -9.0686 -8.5787 -8.5450 -8.5219 -8.4976 -8.3423 -8.3080 -8.2947 -8.2765 -8.2403 -8.2302 -8.1999 -8.1979 -3.3864 -3.3795 -2.8899 -2.8662 -2.5813 -2.5692 -2.3520 -2.3160 -2.2317 -2.2131 -1.9289 -1.8602 -1.4783 -1.4621 -1.3733 -1.3719 -1.1920 -1.1325 0.4825 0.4848 0.5144 0.5172 0.8560 0.8573 4.0580 4.0720 4.2890 4.3126 4.4154 4.4261 4.8841 4.9108 5.4793 5.5136 5.8312 5.9776 6.0593 6.1609 7.1317 7.1631 k =-0.0904 0.0868 0.6931 ( 6806 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2810 -44.2810 -25.4328 -25.4328 -24.6233 -24.6233 -24.6035 -24.6035 -15.7175 -15.7173 -15.2766 -15.2511 -15.0943 -15.0926 -14.8130 -14.7861 -9.3784 -9.3672 -9.2070 -9.2028 -9.0752 -9.0694 -8.5864 -8.5497 -8.5216 -8.4921 -8.3454 -8.3088 -8.2936 -8.2706 -8.2374 -8.2266 -8.1991 -8.1958 -3.3952 -3.3875 -2.8956 -2.8668 -2.5773 -2.5657 -2.3584 -2.3191 -2.2365 -2.2161 -1.9322 -1.8541 -1.4839 -1.4697 -1.3691 -1.3655 -1.1876 -1.1186 0.4805 0.4832 0.5132 0.5163 0.8602 0.8617 4.0356 4.0517 4.2786 4.3060 4.4168 4.4305 4.8919 4.9202 5.4819 5.5213 5.8289 5.9986 6.0707 6.1858 7.0973 7.1364 k =-0.1033 0.0992 0.6931 ( 6810 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2810 -25.4328 -25.4328 -24.6229 -24.6229 -24.6039 -24.6039 -15.7177 -15.7175 -15.2782 -15.2491 -15.0957 -15.0939 -14.8150 -14.7842 -9.3773 -9.3648 -9.2037 -9.1997 -9.0771 -9.0703 -8.5941 -8.5547 -8.5213 -8.4868 -8.3482 -8.3095 -8.2927 -8.2649 -8.2342 -8.2230 -8.1982 -8.1932 -3.4053 -3.3968 -2.9028 -2.8685 -2.5725 -2.5625 -2.3644 -2.3234 -2.2417 -2.2200 -1.9350 -1.8485 -1.4892 -1.4779 -1.3651 -1.3597 -1.1822 -1.1039 0.4783 0.4815 0.5121 0.5155 0.8649 0.8664 4.0108 4.0287 4.2667 4.2976 4.4174 4.4346 4.9006 4.9296 5.4853 5.5296 5.8280 6.0205 6.0846 6.2108 7.0622 7.1101 k =-0.1163 0.1116 0.6931 ( 6816 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2810 -25.4328 -25.4328 -24.6224 -24.6224 -24.6044 -24.6043 -15.7178 -15.7176 -15.2797 -15.2472 -15.0972 -15.0955 -14.8170 -14.7824 -9.3759 -9.3624 -9.1999 -9.1963 -9.0791 -9.0713 -8.6018 -8.5598 -8.5209 -8.4818 -8.3507 -8.3098 -8.2919 -8.2595 -8.2306 -8.2193 -8.1972 -8.1902 -3.4165 -3.4071 -2.9112 -2.8708 -2.5671 -2.5597 -2.3700 -2.3285 -2.2471 -2.2245 -1.9371 -1.8432 -1.4938 -1.4863 -1.3616 -1.3542 -1.1759 -1.0889 0.4762 0.4800 0.5113 0.5150 0.8697 0.8714 3.9844 4.0037 4.2534 4.2873 4.4176 4.4383 4.9105 4.9395 5.4900 5.5383 5.8295 6.0436 6.1009 6.2363 7.0268 7.0847 k =-0.1292 0.1240 0.6931 ( 6810 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2810 -25.4328 -25.4328 -24.6218 -24.6218 -24.6049 -24.6048 -15.7180 -15.7178 -15.2805 -15.2446 -15.0987 -15.0971 -14.8190 -14.7806 -9.3744 -9.3599 -9.1957 -9.1928 -9.0811 -9.0724 -8.6095 -8.5649 -8.5203 -8.4771 -8.3530 -8.3098 -8.2914 -8.2544 -8.2267 -8.2157 -8.1961 -8.1867 -3.4278 -3.4178 -2.9193 -2.8726 -2.5611 -2.5574 -2.3736 -2.3333 -2.2525 -2.2296 -1.9384 -1.8379 -1.4977 -1.4951 -1.3583 -1.3490 -1.1688 -1.0736 0.4744 0.4788 0.5108 0.5148 0.8748 0.8765 3.9574 3.9778 4.2393 4.2753 4.4185 4.4427 4.9216 4.9503 5.4962 5.5476 5.8343 6.0680 6.1192 6.2625 6.9920 7.0606 k =-0.1421 0.1364 0.6931 ( 6814 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4328 -25.4327 -24.6212 -24.6212 -24.6055 -24.6054 -15.7181 -15.7179 -15.2814 -15.2427 -15.1003 -15.0990 -14.8211 -14.7789 -9.3727 -9.3574 -9.1910 -9.1891 -9.0832 -9.0735 -8.6171 -8.5700 -8.5195 -8.4727 -8.3550 -8.3094 -8.2910 -8.2497 -8.2227 -8.2122 -8.1950 -8.1828 -3.4405 -3.4295 -2.9291 -2.8753 -2.5555 -2.5547 -2.3760 -2.3390 -2.2580 -2.2353 -1.9391 -1.8335 -1.5043 -1.5012 -1.3554 -1.3443 -1.1612 -1.0585 0.4730 0.4778 0.5107 0.5149 0.8799 0.8816 3.9293 3.9503 4.2234 4.2609 4.4192 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0.4719 0.4777 0.5134 0.5180 0.8948 0.8965 3.8405 3.8624 4.1666 4.2040 4.4199 4.4563 4.9716 4.9963 5.5361 5.5851 5.8786 6.1712 6.2074 6.3519 6.8693 6.9804 k =-0.1938 0.1860 0.6931 ( 6836 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4327 -25.4327 -24.6185 -24.6185 -24.6080 -24.6079 -15.7182 -15.7179 -15.2851 -15.2366 -15.1076 -15.1068 -14.8294 -14.7732 -9.3647 -9.3479 -9.1736 -9.1687 -9.0912 -9.0777 -8.6451 -8.5871 -8.5142 -8.4596 -8.3611 -8.3038 -8.2911 -8.2344 -8.2079 -8.2003 -8.1884 -8.1642 -3.4954 -3.4816 -2.9747 -2.8973 -2.5524 -2.5297 -2.3722 -2.3601 -2.2800 -2.2627 -1.9365 -1.8195 -1.5447 -1.5128 -1.3475 -1.3300 -1.1286 -1.0037 0.4730 0.4790 0.5154 0.5200 0.8994 0.9011 3.8102 3.8321 4.1448 4.1806 4.4197 4.4593 4.9852 5.0084 5.5504 5.5940 5.8960 6.1973 6.2318 6.3677 6.8466 6.9650 k =-0.2067 0.1984 0.6931 ( 6834 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4327 -25.4327 -24.6177 -24.6177 -24.6087 -24.6086 -15.7181 -15.7178 -15.2856 -15.2354 -15.1099 -15.1082 -14.8313 -14.7721 -9.3625 -9.3457 -9.1698 -9.1628 -9.0926 -9.0785 -8.6512 -8.5901 -8.5123 -8.4574 -8.3623 -8.3013 -8.2915 -8.2314 -8.2054 -8.1980 -8.1856 -8.1591 -3.5095 -3.4952 -2.9868 -2.9050 -2.5514 -2.5244 -2.3677 -2.3637 -2.2848 -2.2702 -1.9345 -1.8170 -1.5556 -1.5152 -1.3463 -1.3273 -1.1204 -0.9923 0.4751 0.4811 0.5181 0.5227 0.9038 0.9054 3.7802 3.8018 4.1218 4.1554 4.4205 4.4627 4.9990 5.0208 5.5667 5.6028 5.9161 6.2228 6.2565 6.3798 6.8287 6.9514 k =-0.2196 0.2108 0.6931 ( 6836 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4327 -25.4327 -24.6169 -24.6169 -24.6094 -24.6093 -15.7179 -15.7176 -15.2864 -15.2348 -15.1123 -15.1095 -14.8332 -14.7712 -9.3603 -9.3437 -9.1661 -9.1569 -9.0937 -9.0792 -8.6568 -8.5926 -8.5102 -8.4558 -8.3633 -8.2985 -8.2921 -8.2287 -8.2037 -8.1962 -8.1822 -8.1540 -3.5240 -3.5092 -2.9996 -2.9142 -2.5504 -2.5200 -2.3668 -2.3626 -2.2891 -2.2776 -1.9322 -1.8153 -1.5669 -1.5179 -1.3455 -1.3250 -1.1124 -0.9821 0.4782 0.4839 0.5213 0.5258 0.9079 0.9094 3.7501 3.7715 4.0975 4.1286 4.4206 4.4653 5.0126 5.0332 5.5847 5.6114 5.9382 6.2472 6.2814 6.3876 6.8161 6.9396 k =-0.2325 0.2232 0.6931 ( 6836 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4327 -25.4327 -24.6161 -24.6161 -24.6102 -24.6101 -15.7177 -15.7174 -15.2868 -15.2342 -15.1147 -15.1109 -14.8349 -14.7705 -9.3582 -9.3419 -9.1625 -9.1513 -9.0942 -9.0797 -8.6619 -8.5944 -8.5080 -8.4546 -8.3642 -8.2954 -8.2927 -8.2264 -8.2027 -8.1946 -8.1783 -8.1489 -3.5382 -3.5233 -3.0122 -2.9244 -2.5488 -2.5165 -2.3690 -2.3567 -2.2927 -2.2851 -1.9294 -1.8142 -1.5784 -1.5203 -1.3451 -1.3231 -1.1046 -0.9731 0.4823 0.4877 0.5251 0.5295 0.9117 0.9132 3.7204 3.7414 4.0723 4.1003 4.4212 4.4682 5.0263 5.0455 5.6044 5.6200 5.9623 6.2696 6.3061 6.3920 6.8090 6.9297 k =-0.2454 0.2356 0.6931 ( 6838 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4327 -25.4327 -24.6154 -24.6153 -24.6109 -24.6108 -15.7174 -15.7171 -15.2872 -15.2340 -15.1172 -15.1121 -14.8365 -14.7701 -9.3560 -9.3402 -9.1591 -9.1463 -9.0939 -9.0800 -8.6664 -8.5955 -8.5056 -8.4538 -8.3650 -8.2935 -8.2920 -8.2245 -8.2023 -8.1934 -8.1739 -8.1438 -3.5523 -3.5372 -3.0246 -2.9353 -2.5464 -2.5140 -2.3705 -2.3503 -2.2955 -2.2923 -1.9263 -1.8135 -1.5901 -1.5231 -1.3450 -1.3215 -1.0972 -0.9656 0.4874 0.4923 0.5294 0.5337 0.9152 0.9165 3.6911 3.7116 4.0459 4.0708 4.4221 4.4707 5.0397 5.0578 5.6256 5.6285 5.9882 6.2886 6.3305 6.3943 6.8073 6.9215 k =-0.2584 0.2480 0.6931 ( 6846 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4327 -25.4327 -24.6146 -24.6146 -24.6116 -24.6115 -15.7170 -15.7167 -15.2877 -15.2344 -15.1196 -15.1133 -14.8381 -14.7699 -9.3540 -9.3388 -9.1559 -9.1421 -9.0927 -9.0800 -8.6703 -8.5960 -8.5030 -8.4535 -8.3657 -8.2943 -8.2884 -8.2232 -8.2023 -8.1924 -8.1693 -8.1389 -3.5665 -3.5511 -3.0373 -2.9472 -2.5435 -2.5124 -2.3720 -2.3441 -2.2989 -2.2972 -1.9231 -1.8136 -1.6020 -1.5265 -1.3452 -1.3203 -1.0902 -0.9594 0.4936 0.4979 0.5342 0.5384 0.9183 0.9196 3.6623 3.6821 4.0185 4.0403 4.4219 4.4722 5.0525 5.0696 5.6368 5.6481 6.0154 6.3021 6.3543 6.3975 6.8099 6.9150 k =-0.2713 0.2604 0.6931 ( 6848 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4327 -25.4327 -24.6138 -24.6138 -24.6124 -24.6123 -15.7166 -15.7163 -15.2881 -15.2350 -15.1219 -15.1144 -14.8393 -14.7699 -9.3520 -9.3375 -9.1530 -9.1389 -9.0904 -9.0797 -8.6734 -8.5958 -8.5004 -8.4535 -8.3663 -8.2951 -8.2847 -8.2225 -8.2028 -8.1916 -8.1646 -8.1342 -3.5803 -3.5649 -3.0495 -2.9598 -2.5402 -2.5115 -2.3729 -2.3385 -2.3042 -2.2976 -1.9199 -1.8142 -1.6139 -1.5300 -1.3456 -1.3193 -1.0836 -0.9546 0.5008 0.5042 0.5395 0.5435 0.9210 0.9222 3.6342 3.6534 3.9907 4.0093 4.4223 4.4740 5.0651 5.0812 5.6452 5.6717 6.0438 6.3083 6.3773 6.4047 6.8163 6.9102 k =-0.2713 0.2604 0.6931 ( 6848 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4327 -25.4327 -24.6138 -24.6138 -24.6124 -24.6123 -15.7166 -15.7163 -15.2881 -15.2350 -15.1219 -15.1144 -14.8393 -14.7699 -9.3520 -9.3375 -9.1530 -9.1389 -9.0904 -9.0797 -8.6734 -8.5958 -8.5004 -8.4535 -8.3663 -8.2951 -8.2847 -8.2225 -8.2028 -8.1916 -8.1646 -8.1342 -3.5803 -3.5649 -3.0495 -2.9598 -2.5402 -2.5115 -2.3729 -2.3385 -2.3042 -2.2976 -1.9199 -1.8142 -1.6139 -1.5300 -1.3456 -1.3193 -1.0836 -0.9546 0.5008 0.5042 0.5395 0.5435 0.9210 0.9222 3.6342 3.6534 3.9907 4.0093 4.4223 4.4740 5.0651 5.0812 5.6452 5.6717 6.0438 6.3083 6.3773 6.4047 6.8163 6.9102 k =-0.2801 0.2689 0.6809 ( 6848 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4327 -25.4327 -24.6132 -24.6132 -24.6128 -24.6127 -15.7162 -15.7159 -15.2881 -15.2353 -15.1236 -15.1149 -14.8400 -14.7701 -9.3507 -9.3368 -9.1513 -9.1374 -9.0883 -9.0792 -8.6753 -8.5953 -8.4985 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-1.6470 -1.5376 -1.3869 -1.2945 -1.0568 -0.9455 0.4915 0.4966 0.6142 0.6195 0.9272 0.9281 3.5075 3.5356 3.8650 3.8877 4.4286 4.4710 5.0972 5.1206 5.6760 5.7879 6.1289 6.2050 6.4996 6.5109 6.8812 6.9222 k =-0.3504 0.3364 0.5834 ( 6858 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4327 -25.4327 -24.6154 -24.6153 -24.6103 -24.6103 -15.7145 -15.7137 -15.2870 -15.2399 -15.1382 -15.1110 -14.8390 -14.7772 -9.3449 -9.3330 -9.1460 -9.1330 -9.0794 -9.0612 -8.6915 -8.5900 -8.4844 -8.4527 -8.3738 -8.2851 -8.2645 -8.2332 -8.2125 -8.1964 -8.1312 -8.1148 -3.6513 -3.6155 -3.1040 -3.0228 -2.5459 -2.4822 -2.3820 -2.3462 -2.2949 -2.2828 -1.9128 -1.8150 -1.6458 -1.5371 -1.3946 -1.2917 -1.0552 -0.9457 0.4904 0.4953 0.6214 0.6264 0.9273 0.9283 3.4981 3.5282 3.8553 3.8803 4.4299 4.4694 5.0974 5.1227 5.6778 5.7978 6.1344 6.1885 6.5093 6.5212 6.8885 6.9265 k =-0.3592 0.3449 0.5712 ( 6864 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1928 -45.1928 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-3.0292 -2.5504 -2.4742 -2.3816 -2.3479 -2.2942 -2.2793 -1.9181 -1.8147 -1.6399 -1.5355 -1.4110 -1.2877 -1.0537 -0.9466 0.4893 0.4938 0.6315 0.6361 0.9275 0.9287 3.4850 3.5196 3.8413 3.8713 4.4310 4.4648 5.0955 5.1247 5.6795 5.8128 6.1431 6.1598 6.5231 6.5359 6.9003 6.9339 k =-0.3768 0.3618 0.5468 ( 6862 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6157 -24.6156 -24.6100 -24.6100 -15.7150 -15.7139 -15.2865 -15.2400 -15.1426 -15.1073 -14.8362 -14.7813 -9.3446 -9.3321 -9.1468 -9.1318 -9.0783 -9.0566 -8.6943 -8.5895 -8.4814 -8.4517 -8.3746 -8.2825 -8.2603 -8.2354 -8.2165 -8.1977 -8.1262 -8.1133 -3.6627 -3.6179 -3.1138 -3.0305 -2.5521 -2.4698 -2.3809 -2.3480 -2.2947 -2.2775 -1.9212 -1.8146 -1.6352 -1.5342 -1.4192 -1.2863 -1.0536 -0.9471 0.4892 0.4936 0.6344 0.6387 0.9277 0.9290 3.4818 3.5187 3.8373 3.8698 4.4327 4.4632 5.0938 5.1251 5.6798 5.8180 6.1387 6.1558 6.5271 6.5405 6.9048 6.9365 k =-0.3856 0.3702 0.5346 ( 6864 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6157 -24.6156 -24.6099 -24.6099 -15.7154 -15.7141 -15.2865 -15.2398 -15.1437 -15.1059 -14.8351 -14.7827 -9.3447 -9.3319 -9.1472 -9.1315 -9.0782 -9.0561 -8.6944 -8.5897 -8.4809 -8.4514 -8.3745 -8.2831 -8.2591 -8.2353 -8.2174 -8.1979 -8.1260 -8.1131 -3.6648 -3.6170 -3.1161 -3.0311 -2.5544 -2.4659 -2.3800 -2.3479 -2.2955 -2.2758 -1.9249 -1.8147 -1.6296 -1.5329 -1.4276 -1.2854 -1.0542 -0.9478 0.4893 0.4938 0.6357 0.6398 0.9279 0.9294 3.4806 3.5200 3.8351 3.8702 4.4333 4.4609 5.0915 5.1247 5.6794 5.8213 6.1276 6.1599 6.5290 6.5434 6.9079 6.9383 k =-0.3856 0.3702 0.5346 ( 6864 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6157 -24.6156 -24.6099 -24.6099 -15.7154 -15.7141 -15.2865 -15.2398 -15.1437 -15.1059 -14.8351 -14.7827 -9.3447 -9.3319 -9.1472 -9.1315 -9.0782 -9.0561 -8.6944 -8.5897 -8.4809 -8.4514 -8.3745 -8.2831 -8.2591 -8.2353 -8.2174 -8.1979 -8.1260 -8.1131 -3.6648 -3.6170 -3.1161 -3.0311 -2.5544 -2.4659 -2.3800 -2.3479 -2.2955 -2.2758 -1.9249 -1.8147 -1.6296 -1.5329 -1.4276 -1.2854 -1.0542 -0.9478 0.4893 0.4938 0.6357 0.6398 0.9279 0.9294 3.4806 3.5200 3.8351 3.8702 4.4333 4.4609 5.0915 5.1247 5.6794 5.8213 6.1276 6.1599 6.5290 6.5434 6.9079 6.9383 k =-0.3765 0.3614 0.5218 ( 6850 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4328 -25.4328 -24.6150 -24.6150 -24.6107 -24.6106 -15.7160 -15.7147 -15.2861 -15.2377 -15.1426 -15.1037 -14.8352 -14.7815 -9.3460 -9.3322 -9.1477 -9.1309 -9.0821 -9.0589 -8.7000 -8.5938 -8.4827 -8.4491 -8.3759 -8.2803 -8.2587 -8.2359 -8.2172 -8.1995 -8.1279 -8.1158 -3.6560 -3.6045 -3.1076 -3.0178 -2.5591 -2.4661 -2.3813 -2.3446 -2.2989 -2.2810 -1.9259 -1.8093 -1.6182 -1.5211 -1.4336 -1.2827 -1.0573 -0.9454 0.4719 0.4763 0.6378 0.6423 0.9259 0.9273 3.4974 3.5396 3.8642 3.9024 4.4328 4.4593 5.0769 5.1113 5.6643 5.8131 6.0947 6.1250 6.5254 6.5410 6.9087 6.9410 k =-0.3673 0.3526 0.5091 ( 6848 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4329 -25.4329 -24.6143 -24.6142 -24.6114 -24.6114 -15.7164 -15.7152 -15.2861 -15.2363 -15.1414 -15.1017 -14.8350 -14.7806 -9.3473 -9.3326 -9.1484 -9.1306 -9.0861 -9.0618 -8.7048 -8.5979 -8.4848 -8.4466 -8.3775 -8.2781 -8.2595 -8.2362 -8.2173 -8.2003 -8.1299 -8.1185 -3.6471 -3.5920 -3.0990 -3.0048 -2.5647 -2.4678 -2.3834 -2.3418 -2.3013 -2.2856 -1.9273 -1.8047 -1.6060 -1.5100 -1.4390 -1.2804 -1.0602 -0.9435 0.4546 0.4589 0.6403 0.6451 0.9233 0.9247 3.5138 3.5589 3.8942 3.9358 4.4306 4.4554 5.0607 5.0962 5.6474 5.8007 6.0633 6.0916 6.5224 6.5392 6.9106 6.9449 k =-0.3581 0.3438 0.4964 ( 6852 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4330 -25.4329 -24.6136 -24.6135 -24.6122 -24.6122 -15.7168 -15.7156 -15.2861 -15.2355 -15.1400 -15.1000 -14.8346 -14.7799 -9.3487 -9.3331 -9.1491 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3.5450 3.5955 3.9564 4.0052 4.4241 4.4446 5.0244 5.0614 5.6080 5.7622 6.0036 6.0369 6.5188 6.5375 6.9188 6.9555 k =-0.3397 0.3261 0.4709 ( 6846 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4331 -25.4331 -24.6140 -24.6139 -24.6118 -24.6117 -15.7168 -15.7160 -15.2852 -15.2345 -15.1365 -15.0969 -14.8329 -14.7793 -9.3516 -9.3344 -9.1511 -9.1315 -9.0978 -9.0708 -8.7150 -8.6082 -8.4923 -8.4393 -8.3835 -8.2776 -8.2662 -8.2358 -8.2184 -8.1985 -8.1385 -8.1241 -3.6182 -3.5529 -3.0709 -2.9663 -2.5800 -2.4766 -2.3931 -2.3400 -2.3015 -2.2920 -1.9303 -1.7942 -1.5665 -1.4870 -1.4432 -1.2742 -1.0679 -0.9403 0.4063 0.4100 0.6501 0.6555 0.9128 0.9137 3.5593 3.6124 3.9883 4.0407 4.4214 4.4398 5.0047 5.0426 5.5857 5.7369 5.9744 6.0177 6.5184 6.5378 6.9251 6.9620 k =-0.3305 0.3173 0.4582 ( 6838 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4332 -25.4332 -24.6148 -24.6148 -24.6109 -24.6108 -15.7166 -15.7158 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-1.4302 -1.2702 -1.0722 -0.9402 0.3793 0.3825 0.6581 0.6637 0.9033 0.9038 3.5837 3.6413 4.0517 4.1121 4.4129 4.4268 4.9608 5.0022 5.5357 5.6770 5.9199 5.9913 6.5210 6.5414 6.9414 6.9771 k =-0.3122 0.2997 0.4328 ( 6846 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4335 -25.4335 -24.6166 -24.6166 -24.6091 -24.6090 -15.7154 -15.7150 -15.2827 -15.2354 -15.1304 -15.0939 -14.8287 -14.7801 -9.3564 -9.3373 -9.1549 -9.1357 -9.1085 -9.0796 -8.7187 -8.6142 -8.5011 -8.4344 -8.3921 -8.2860 -8.2730 -8.2374 -8.2154 -8.1960 -8.1513 -8.1250 -3.5863 -3.5125 -3.0410 -2.9312 -2.5916 -2.4879 -2.4055 -2.3495 -2.2932 -2.2889 -1.9304 -1.7875 -1.5310 -1.4844 -1.4213 -1.2681 -1.0742 -0.9408 0.3680 0.3708 0.6624 0.6680 0.8978 0.8983 3.5931 3.6528 4.0825 4.1471 4.4072 4.4194 4.9370 4.9815 5.5086 5.6445 5.8954 5.9818 6.5242 6.5448 6.9512 6.9855 k =-0.3030 0.2909 0.4200 ( 6858 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 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6.5962 7.0243 7.0492 k =-0.2479 0.2380 0.3437 ( 6847 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4350 -25.4350 -24.6230 -24.6230 -24.6020 -24.6020 -15.7047 -15.7034 -15.2727 -15.2454 -15.1160 -15.0941 -14.8151 -14.7891 -9.3670 -9.3474 -9.1662 -9.1537 -9.1245 -9.0956 -8.7158 -8.6184 -8.5220 -8.4425 -8.4173 -8.3013 -8.2840 -8.2517 -8.2224 -8.1971 -8.1761 -8.1139 -3.5050 -3.4215 -2.9801 -2.8785 -2.5992 -2.5085 -2.4245 -2.3747 -2.2821 -2.2758 -1.9139 -1.7867 -1.5148 -1.4313 -1.3637 -1.2502 -1.0845 -0.9543 0.3411 0.3418 0.6898 0.6928 0.8495 0.8542 3.5859 3.6493 4.2284 4.2945 4.3758 4.4223 4.7594 4.8720 5.3166 5.4252 5.7681 5.9270 6.5919 6.6106 7.0384 7.0625 k =-0.2387 0.2292 0.3309 ( 6843 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4353 -25.4353 -24.6239 -24.6238 -24.6010 -24.6009 -15.7022 -15.7007 -15.2708 -15.2471 -15.1143 -15.0948 -14.8132 -14.7909 -9.3683 -9.3490 -9.1678 -9.1560 -9.1255 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4.2806 4.3912 4.4566 4.7209 4.8575 5.2688 5.3727 5.7400 5.9082 6.6268 6.6447 7.0683 7.0918 k =-0.2204 0.2115 0.3055 ( 6851 PWs) bands (ev): -76.1550 -76.1549 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4358 -25.4358 -24.6256 -24.6255 -24.5990 -24.5989 -15.6966 -15.6947 -15.2677 -15.2510 -15.1115 -15.0971 -14.8097 -14.7949 -9.3706 -9.3521 -9.1705 -9.1597 -9.1267 -9.0996 -8.7203 -8.6276 -8.5260 -8.4564 -8.4193 -8.3028 -8.2896 -8.2590 -8.2327 -8.2126 -8.1678 -8.1069 -3.4686 -3.3871 -2.9625 -2.8695 -2.5984 -2.5100 -2.4263 -2.3804 -2.2855 -2.2751 -1.8991 -1.7913 -1.5065 -1.4114 -1.3476 -1.2448 -1.0859 -0.9634 0.3594 0.3601 0.6942 0.6949 0.8291 0.8368 3.5345 3.5920 4.2137 4.2699 4.4021 4.4712 4.7070 4.8521 5.2465 5.3486 5.7266 5.8979 6.6465 6.6641 7.0842 7.1077 k =-0.2112 0.2027 0.2927 ( 6861 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4362 -25.4362 -24.6264 -24.6264 -24.5980 -24.5979 -15.6935 -15.6914 -15.2665 -15.2533 -15.1105 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-0.9693 0.3804 0.3815 0.6917 0.6935 0.8172 0.8270 3.4843 3.5360 4.1915 4.2455 4.4236 4.4886 4.6922 4.8434 5.2057 5.3051 5.7013 5.8758 6.6902 6.7072 7.1177 7.1418 k =-0.1928 0.1851 0.2673 ( 6849 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4368 -25.4368 -24.6279 -24.6279 -24.5960 -24.5960 -15.6866 -15.6842 -15.2635 -15.2562 -15.1088 -15.1014 -14.8059 -14.8008 -9.3729 -9.3563 -9.1727 -9.1628 -9.1259 -9.1016 -8.7336 -8.6477 -8.5243 -8.4735 -8.4129 -8.3119 -8.2957 -8.2646 -8.2463 -8.2174 -8.1576 -8.1007 -3.4323 -3.3575 -2.9493 -2.8670 -2.5973 -2.5060 -2.4267 -2.3816 -2.2944 -2.2779 -1.8810 -1.7962 -1.4916 -1.3998 -1.3389 -1.2442 -1.0833 -0.9721 0.3933 0.3945 0.6891 0.6918 0.8119 0.8226 3.4554 3.5038 4.1812 4.2332 4.4336 4.4928 4.6917 4.8410 5.1877 5.2861 5.6897 5.8645 6.7138 6.7306 7.1353 7.1597 k =-0.1836 0.1763 0.2546 ( 6851 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4371 -25.4371 -24.6287 -24.6286 -24.5951 -24.5950 -15.6830 -15.6804 -15.2627 -15.2572 -15.1083 -15.1031 -14.8057 -14.8020 -9.3734 -9.3575 -9.1727 -9.1631 -9.1250 -9.1018 -8.7399 -8.6568 -8.5227 -8.4794 -8.4094 -8.3173 -8.2981 -8.2673 -8.2499 -8.2154 -8.1542 -8.0991 -3.4207 -3.3489 -2.9452 -2.8671 -2.5967 -2.5035 -2.4269 -2.3809 -2.2982 -2.2794 -1.8748 -1.7973 -1.4855 -1.3978 -1.3380 -1.2453 -1.0813 -0.9746 0.4074 0.4087 0.6859 0.6895 0.8070 0.8185 3.4242 3.4693 4.1706 4.2207 4.4418 4.4935 4.6940 4.8376 5.1710 5.2686 5.6783 5.8527 6.7382 6.7548 7.1532 7.1778 k =-0.1745 0.1675 0.2418 ( 6845 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4375 -25.4375 -24.6294 -24.6293 -24.5941 -24.5941 -15.6792 -15.6765 -15.2621 -15.2569 -15.1078 -15.1047 -14.8066 -14.8021 -9.3738 -9.3585 -9.1723 -9.1631 -9.1238 -9.1017 -8.7472 -8.6671 -8.5208 -8.4852 -8.4054 -8.3233 -8.3014 -8.2718 -8.2509 -8.2122 -8.1507 -8.0976 -3.4087 -3.3406 -2.9404 -2.8669 -2.5957 -2.5003 -2.4271 -2.3794 -2.3020 -2.2809 -1.8680 -1.7976 -1.4788 -1.3964 -1.3380 -1.2471 -1.0784 -0.9768 0.4227 0.4241 0.6822 0.6866 0.8024 0.8146 3.3912 3.4331 4.1610 4.2086 4.4489 4.4936 4.6985 4.8349 5.1561 5.2530 5.6677 5.8407 6.7634 6.7797 7.1711 7.1959 k =-0.1653 0.1587 0.2291 ( 6851 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4378 -25.4378 -24.6301 -24.6300 -24.5932 -24.5932 -15.6754 -15.6726 -15.2630 -15.2567 -15.1078 -15.1065 -14.8082 -14.8018 -9.3739 -9.3594 -9.1716 -9.1626 -9.1224 -9.1014 -8.7551 -8.6782 -8.5188 -8.4910 -8.4011 -8.3296 -8.3054 -8.2779 -8.2495 -8.2080 -8.1473 -8.0963 -3.3980 -3.3335 -2.9371 -2.8681 -2.5947 -2.4967 -2.4278 -2.3775 -2.3066 -2.2831 -1.8621 -1.7981 -1.4723 -1.3961 -1.3391 -1.2496 -1.0750 -0.9786 0.4389 0.4403 0.6782 0.6833 0.7979 0.8106 3.3568 3.3957 4.1513 4.1966 4.4529 4.4914 4.7038 4.8304 5.1425 5.2385 5.6576 5.8283 6.7891 6.8051 7.1887 7.2136 k =-0.1561 0.1498 0.2164 ( 6855 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4382 -25.4382 -24.6307 -24.6307 -24.5924 -24.5923 -15.6714 -15.6685 -15.2639 -15.2559 -15.1085 -15.1077 -14.8099 -14.8014 -9.3740 -9.3602 -9.1704 -9.1619 -9.1207 -9.1009 -8.7638 -8.6901 -8.5169 -8.4966 -8.3968 -8.3359 -8.3101 -8.2848 -8.2466 -8.2031 -8.1440 -8.0954 -3.3873 -3.3269 -2.9338 -2.8694 -2.5932 -2.4926 -2.4286 -2.3752 -2.3110 -2.2854 -1.8566 -1.7979 -1.4659 -1.3966 -1.3411 -1.2528 -1.0707 -0.9800 0.4557 0.4572 0.6740 0.6798 0.7934 0.8066 3.3217 3.3575 4.1426 4.1852 4.4550 4.4898 4.7093 4.8257 5.1306 5.2255 5.6481 5.8159 6.8151 6.8307 7.2056 7.2302 k =-0.1469 0.1410 0.2036 ( 6851 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4385 -25.4385 -24.6313 -24.6313 -24.5915 -24.5915 -15.6675 -15.6645 -15.2647 -15.2551 -15.1101 -15.1080 -14.8116 -14.8011 -9.3738 -9.3608 -9.1688 -9.1607 -9.1188 -9.1001 -8.7729 -8.7027 -8.5156 -8.5016 -8.3925 -8.3420 -8.3150 -8.2919 -8.2426 -8.1977 -8.1407 -8.0946 -3.3772 -3.3208 -2.9304 -2.8708 -2.5913 -2.4880 -2.4294 -2.3724 -2.3151 -2.2876 -1.8515 -1.7969 -1.4598 -1.3978 -1.3437 -1.2564 -1.0656 -0.9809 0.4731 0.4746 0.6699 0.6763 0.7889 0.8024 3.2861 3.3191 4.1346 4.1744 4.4556 4.4893 4.7144 4.8202 5.1206 5.2139 5.6395 5.8035 6.8411 6.8563 7.2213 7.2453 k =-0.1377 0.1322 0.1909 ( 6847 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1927 -44.2811 -44.2811 -25.4388 -25.4388 -24.6319 -24.6318 -24.5907 -24.5907 -15.6635 -15.6605 -15.2653 -15.2542 -15.1118 -15.1083 -14.8131 -14.8009 -9.3735 -9.3612 -9.1669 -9.1593 -9.1167 -9.0991 -8.7824 -8.7158 -8.5156 -8.5054 -8.3886 -8.3477 -8.3201 -8.2991 -8.2379 -8.1921 -8.1375 -8.0941 -3.3673 -3.3152 -2.9271 -2.8723 -2.5888 -2.4832 -2.4300 -2.3694 -2.3188 -2.2900 -1.8469 -1.7953 -1.4545 -1.3997 -1.3468 -1.2604 -1.0599 -0.9812 0.4908 0.4922 0.6660 0.6728 0.7843 0.7980 3.2505 3.2809 4.1273 4.1642 4.4550 4.4896 4.7189 4.8144 5.1121 5.2036 5.6318 5.7909 6.8669 6.8816 7.2350 7.2581 k =-0.1285 0.1234 0.1782 ( 6831 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4392 -25.4392 -24.6324 -24.6324 -24.5900 -24.5900 -15.6594 -15.6565 -15.2655 -15.2530 -15.1132 -15.1087 -14.8144 -14.8009 -9.3731 -9.3615 -9.1646 -9.1575 -9.1143 -9.0980 -8.7921 -8.7292 -8.5179 -8.5071 -8.3853 -8.3529 -8.3250 -8.3061 -8.2328 -8.1862 -8.1343 -8.0938 -3.3574 -3.3099 -2.9234 -2.8733 -2.5857 -2.4783 -2.4302 -2.3660 -2.3217 -2.2921 -1.8424 -1.7928 -1.4502 -1.4022 -1.3499 -1.2645 -1.0534 -0.9809 0.5085 0.5099 0.6624 0.6697 0.7795 0.7933 3.2155 3.2433 4.1208 4.1547 4.4542 4.4909 4.7225 4.8084 5.1055 5.1946 5.6250 5.7786 6.8923 6.9064 7.2461 7.2676 k =-0.1194 0.1146 0.1655 ( 6835 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4395 -25.4395 -24.6329 -24.6329 -24.5893 -24.5892 -15.6555 -15.6526 -15.2662 -15.2529 -15.1149 -15.1094 -14.8157 -14.8011 -9.3725 -9.3616 -9.1619 -9.1554 -9.1118 -9.0966 -8.8020 -8.7429 -8.5217 -8.5076 -8.3828 -8.3574 -8.3295 -8.3128 -8.2274 -8.1804 -8.1313 -8.0937 -3.3494 -3.3058 -2.9211 -2.8756 -2.5825 -2.4740 -2.4303 -2.3631 -2.3240 -2.2945 -1.8393 -1.7910 -1.4479 -1.4059 -1.3525 -1.2690 -1.0466 -0.9802 0.5261 0.5274 0.6592 0.6668 0.7745 0.7882 3.1812 3.2066 4.1144 4.1457 4.4517 4.4902 4.7251 4.8009 5.1000 5.1859 5.6189 5.7660 6.9171 6.9305 7.2536 7.2734 k =-0.1102 0.1058 0.1527 ( 6843 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1927 -44.2811 -44.2811 -25.4398 -25.4398 -24.6334 -24.6333 -24.5886 -24.5886 -15.6517 -15.6488 -15.2670 -15.2530 -15.1165 -15.1103 -14.8168 -14.8015 -9.3718 -9.3617 -9.1590 -9.1530 -9.1091 -9.0951 -8.8120 -8.7568 -8.5260 -8.5081 -8.3813 -8.3612 -8.3334 -8.3192 -8.2218 -8.1747 -8.1283 -8.0938 -3.3421 -3.3027 -2.9195 -2.8782 -2.5790 -2.4710 -2.4295 -2.3606 -2.3252 -2.2968 -1.8368 -1.7892 -1.4478 -1.4108 -1.3541 -1.2736 -1.0394 -0.9792 0.5432 0.5446 0.6565 0.6644 0.7692 0.7828 3.1481 3.1713 4.1086 4.1372 4.4486 4.4890 4.7267 4.7932 5.0957 5.1779 5.6137 5.7536 6.9409 6.9535 7.2572 7.2749 k =-0.1010 0.0970 0.1400 ( 6837 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1927 -44.2811 -44.2811 -25.4401 -25.4401 -24.6338 -24.6338 -24.5880 -24.5879 -15.6480 -15.6451 -15.2670 -15.2527 -15.1178 -15.1111 -14.8176 -14.8021 -9.3710 -9.3617 -9.1558 -9.1504 -9.1063 -9.0935 -8.8218 -8.7706 -8.5301 -8.5090 -8.3808 -8.3644 -8.3365 -8.3249 -8.2161 -8.1692 -8.1255 -8.0940 -3.3347 -3.2992 -2.9171 -2.8801 -2.5747 -2.4693 -2.4265 -2.3582 -2.3249 -2.2987 -1.8340 -1.7870 -1.4495 -1.4168 -1.3539 -1.2778 -1.0318 -0.9776 0.5598 0.5612 0.6545 0.6626 0.7637 0.7772 3.1165 3.1376 4.1036 4.1294 4.4476 4.4885 4.7277 4.7859 5.0930 5.1709 5.6097 5.7414 6.9636 6.9752 7.2569 7.2726 k =-0.0918 0.0881 0.1273 ( 6837 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1927 -44.2811 -44.2811 -25.4404 -25.4404 -24.6342 -24.6341 -24.5874 -24.5874 -15.6444 -15.6417 -15.2672 -15.2530 -15.1191 -15.1122 -14.8183 -14.8028 -9.3701 -9.3616 -9.1525 -9.1477 -9.1033 -9.0917 -8.8314 -8.7843 -8.5338 -8.5106 -8.3811 -8.3673 -8.3387 -8.3300 -8.2103 -8.1642 -8.1228 -8.0943 -3.3286 -3.2966 -2.9157 -2.8826 -2.5704 -2.4698 -2.4220 -2.3564 -2.3235 -2.3003 -1.8316 -1.7856 -1.4532 -1.4241 -1.3523 -1.2819 -1.0242 -0.9757 0.5754 0.5769 0.6531 0.6614 0.7580 0.7712 3.0868 3.1057 4.0989 4.1222 4.4457 4.4868 4.7279 4.7784 5.0912 5.1642 5.6066 5.7293 6.9848 6.9955 7.2532 7.2672 k =-0.0826 0.0793 0.1146 ( 6829 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4406 -25.4406 -24.6345 -24.6345 -24.5868 -24.5868 -15.6410 -15.6384 -15.2669 -15.2530 -15.1200 -15.1130 -14.8187 -14.8035 -9.3692 -9.3614 -9.1491 -9.1448 -9.1002 -9.0899 -8.8407 -8.7977 -8.5372 -8.5128 -8.3819 -8.3702 -8.3402 -8.3341 -8.2045 -8.1598 -8.1202 -8.0946 -3.3225 -3.2941 -2.9137 -2.8845 -2.5656 -2.4718 -2.4157 -2.3548 -2.3210 -2.3014 -1.8288 -1.7841 -1.4582 -1.4323 -1.3492 -1.2856 -1.0164 -0.9736 0.5900 0.5917 0.6525 0.6609 0.7522 0.7651 3.0592 3.0761 4.0950 4.1156 4.4457 4.4856 4.7278 4.7714 5.0906 5.1581 5.6046 5.7176 7.0045 7.0141 7.2473 7.2598 k =-0.0735 0.0705 0.1018 ( 6833 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4409 -25.4409 -24.6348 -24.6348 -24.5864 -24.5864 -15.6379 -15.6355 -15.2668 -15.2537 -15.1210 -15.1142 -14.8189 -14.8045 -9.3683 -9.3613 -9.1457 -9.1418 -9.0971 -9.0880 -8.8494 -8.8107 -8.5400 -8.5155 -8.3829 -8.3732 -8.3416 -8.3371 -8.1988 -8.1561 -8.1177 -8.0950 -3.3179 -3.2925 -2.9127 -2.8871 -2.5610 -2.4755 -2.4087 -2.3537 -2.3179 -2.3022 -1.8265 -1.7838 -1.4643 -1.4414 -1.3455 -1.2892 -1.0089 -0.9716 0.6033 0.6053 0.6527 0.6609 0.7463 0.7588 3.0339 3.0488 4.0913 4.1096 4.4450 4.4828 4.7272 4.7643 5.0905 5.1519 5.6036 5.7061 7.0224 7.0308 7.2402 7.2514 k =-0.0643 0.0617 0.0891 ( 6829 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4411 -25.4411 -24.6351 -24.6351 -24.5859 -24.5859 -15.6350 -15.6328 -15.2663 -15.2544 -15.1217 -15.1153 -14.8190 -14.8056 -9.3673 -9.3611 -9.1424 -9.1390 -9.0939 -9.0861 -8.8575 -8.8231 -8.5424 -8.5188 -8.3840 -8.3762 -8.3432 -8.3385 -8.1931 -8.1534 -8.1152 -8.0954 -3.3133 -3.2911 -2.9115 -2.8893 -2.5561 -2.4798 -2.4012 -2.3528 -2.3144 -2.3025 -1.8236 -1.7840 -1.4708 -1.4508 -1.3412 -1.2925 -1.0016 -0.9695 0.6150 0.6176 0.6538 0.6616 0.7406 0.7525 3.0112 3.0242 4.0884 4.1042 4.4456 4.4802 4.7266 4.7579 5.0914 5.1462 5.6036 5.6949 7.0382 7.0455 7.2328 7.2428 k =-0.0551 0.0529 0.0764 ( 6807 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4413 -25.4413 -24.6353 -24.6353 -24.5856 -24.5856 -15.6323 -15.6304 -15.2652 -15.2542 -15.1220 -15.1162 -14.8187 -14.8066 -9.3663 -9.3610 -9.1393 -9.1362 -9.0908 -9.0842 -8.8647 -8.8348 -8.5440 -8.5222 -8.3850 -8.3790 -8.3447 -8.3391 -8.1876 -8.1515 -8.1127 -8.0958 -3.3080 -3.2895 -2.9094 -2.8907 -2.5505 -2.4844 -2.3934 -2.3521 -2.3107 -2.3019 -1.8199 -1.7837 -1.4770 -1.4598 -1.3365 -1.2952 -0.9946 -0.9676 0.6251 0.6284 0.6556 0.6629 0.7352 0.7463 2.9913 3.0023 4.0863 4.0996 4.4478 4.4796 4.7262 4.7528 5.0932 5.1412 5.6048 5.6844 7.0518 7.0580 7.2261 7.2348 k =-0.0459 0.0441 0.0636 ( 6807 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4414 -25.4414 -24.6355 -24.6355 -24.5852 -24.5852 -15.6300 -15.6284 -15.2646 -15.2550 -15.1225 -15.1173 -14.8183 -14.8078 -9.3654 -9.3609 -9.1365 -9.1338 -9.0878 -9.0825 -8.8708 -8.8456 -8.5452 -8.5259 -8.3861 -8.3816 -8.3456 -8.3396 -8.1823 -8.1507 -8.1103 -8.0962 -3.3045 -3.2891 -2.9084 -2.8930 -2.5454 -2.4899 -2.3863 -2.3520 -2.3074 -2.3010 -1.8168 -1.7850 -1.4831 -1.4686 -1.3321 -1.2982 -0.9883 -0.9661 0.6334 0.6376 0.6580 0.6645 0.7302 0.7404 2.9743 2.9834 4.0843 4.0953 4.4490 4.4766 4.7257 4.7474 5.0952 5.1359 5.6069 5.6740 7.0632 7.0682 7.2202 7.2277 k =-0.0367 0.0353 0.0509 ( 6801 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4415 -25.4415 -24.6357 -24.6357 -24.5850 -24.5850 -15.6280 -15.6267 -15.2637 -15.2559 -15.1225 -15.1183 -14.8177 -14.8091 -9.3645 -9.3609 -9.1339 -9.1317 -9.0850 -9.0809 -8.8757 -8.8553 -8.5457 -8.5295 -8.3871 -8.3838 -8.3459 -8.3400 -8.1772 -8.1509 -8.1080 -8.0967 -3.3014 -3.2889 -2.9074 -2.8950 -2.5401 -2.4954 -2.3796 -2.3523 -2.3044 -2.2997 -1.8133 -1.7868 -1.4883 -1.4766 -1.3275 -1.3009 -0.9825 -0.9650 0.6401 0.6451 0.6606 0.6662 0.7260 0.7348 2.9603 2.9676 4.0829 4.0917 4.4509 4.4736 4.7256 4.7426 5.0979 5.1307 5.6099 5.6642 7.0722 7.0761 7.2157 7.2218 k =-0.0275 0.0264 0.0382 ( 6805 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4417 -25.4417 -24.6358 -24.6358 -24.5848 -24.5848 -15.6264 -15.6254 -15.2631 -15.2571 -15.1225 -15.1192 -14.8170 -14.8103 -9.3637 -9.3610 -9.1318 -9.1301 -9.0826 -9.0796 -8.8792 -8.8637 -8.5456 -8.5330 -8.3880 -8.3857 -8.3457 -8.3407 -8.1723 -8.1521 -8.1058 -8.0973 -3.2988 -3.2896 -2.9066 -2.8972 -2.5350 -2.5013 -2.3737 -2.3533 -2.3019 -2.2985 -1.8099 -1.7894 -1.4924 -1.4836 -1.3234 -1.3036 -0.9775 -0.9645 0.6456 0.6511 0.6628 0.6675 0.7229 0.7299 2.9495 2.9550 4.0820 4.0885 4.4522 4.4700 4.7256 4.7383 5.1008 5.1256 5.6138 5.6550 7.0790 7.0818 7.2125 7.2172 k =-0.0184 0.0176 0.0255 ( 6811 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4417 -25.4417 -24.6359 -24.6359 -24.5846 -24.5846 -15.6253 -15.6246 -15.2624 -15.2584 -15.1224 -15.1202 -14.8162 -14.8116 -9.3630 -9.3612 -9.1302 -9.1290 -9.0806 -9.0787 -8.8811 -8.8707 -8.5449 -8.5363 -8.3886 -8.3871 -8.3451 -8.3414 -8.1678 -8.1540 -8.1038 -8.0981 -3.2968 -3.2905 -2.9057 -2.8994 -2.5299 -2.5073 -2.3686 -2.3550 -2.2999 -2.2976 -1.8065 -1.7926 -1.4952 -1.4892 -1.3197 -1.3067 -0.9734 -0.9648 0.6501 0.6552 0.6643 0.6682 0.7210 0.7259 2.9420 2.9456 4.0816 4.0859 4.4540 4.4660 4.7262 4.7345 5.1040 5.1206 5.6186 5.6462 7.0837 7.0856 7.2106 7.2138 k =-0.0092 0.0088 0.0127 ( 6815 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4418 -25.4418 -24.6360 -24.6360 -24.5845 -24.5845 -15.6245 -15.6241 -15.2616 -15.2596 -15.1221 -15.1210 -14.8152 -14.8129 -9.3624 -9.3615 -9.1290 -9.1284 -9.0792 -9.0783 -8.8812 -8.8760 -8.5435 -8.5392 -8.3888 -8.3881 -8.3443 -8.3424 -8.1636 -8.1566 -8.1020 -8.0991 -3.2950 -3.2919 -2.9045 -2.9014 -2.5246 -2.5133 -2.3641 -2.3574 -2.2984 -2.2972 -1.8030 -1.7959 -1.4963 -1.4933 -1.3162 -1.3097 -0.9700 -0.9658 0.6537 0.6570 0.6656 0.6681 0.7204 0.7229 2.9378 2.9396 4.0818 4.0840 4.4564 4.4624 4.7273 4.7314 5.1076 5.1160 5.6243 5.6382 7.0866 7.0875 7.2099 7.2116 k = 0.0000 0.0000 0.0000 ( 6799 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4418 -25.4418 -24.6360 -24.6360 -24.5845 -24.5845 -15.6241 -15.6241 -15.2602 -15.2602 -15.1215 -15.1215 -14.8140 -14.8140 -9.3619 -9.3619 -9.1284 -9.1284 -9.0784 -9.0784 -8.8795 -8.8795 -8.5416 -8.5416 -8.3887 -8.3887 -8.3433 -8.3433 -8.1599 -8.1599 -8.1004 -8.1004 -3.2926 -3.2926 -2.9026 -2.9026 -2.5186 -2.5186 -2.3603 -2.3603 -2.2974 -2.2974 -1.7989 -1.7989 -1.4956 -1.4956 -1.3127 -1.3127 -0.9674 -0.9674 0.6563 0.6563 0.6671 0.6671 0.7211 0.7211 2.9370 2.9370 4.0828 4.0828 4.4604 4.4604 4.7293 4.7293 5.1119 5.1119 5.6310 5.6310 7.0879 7.0879 7.2103 7.2103 k = 0.0000 0.0000 0.0000 ( 6799 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4418 -25.4418 -24.6360 -24.6360 -24.5845 -24.5845 -15.6241 -15.6241 -15.2602 -15.2602 -15.1215 -15.1215 -14.8140 -14.8140 -9.3619 -9.3619 -9.1284 -9.1284 -9.0784 -9.0784 -8.8795 -8.8795 -8.5416 -8.5416 -8.3887 -8.3887 -8.3433 -8.3433 -8.1599 -8.1599 -8.1004 -8.1004 -3.2926 -3.2926 -2.9026 -2.9026 -2.5186 -2.5186 -2.3603 -2.3603 -2.2974 -2.2974 -1.7989 -1.7989 -1.4956 -1.4956 -1.3127 -1.3127 -0.9674 -0.9674 0.6563 0.6563 0.6671 0.6671 0.7211 0.7211 2.9370 2.9370 4.0828 4.0828 4.4604 4.4604 4.7293 4.7293 5.1119 5.1119 5.6310 5.6310 7.0879 7.0879 7.2103 7.2103 k = 0.0125 0.0130 0.0000 ( 6819 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4418 -25.4418 -24.6360 -24.6360 -24.5845 -24.5845 -15.6245 -15.6240 -15.2610 -15.2604 -15.1218 -15.1216 -14.8141 -14.8140 -9.3619 -9.3618 -9.1288 -9.1282 -9.0785 -9.0784 -8.8789 -8.8788 -8.5416 -8.5411 -8.3888 -8.3885 -8.3435 -8.3430 -8.1604 -8.1598 -8.1012 -8.0997 -3.2939 -3.2938 -2.9049 -2.9019 -2.5236 -2.5149 -2.3631 -2.3577 -2.2977 -2.2971 -1.8010 -1.7988 -1.5051 -1.4868 -1.3147 -1.3105 -0.9676 -0.9674 0.6562 0.6562 0.6670 0.6670 0.7212 0.7212 2.9380 2.9392 4.0816 4.0817 4.4567 4.4619 4.7260 4.7331 5.1103 5.1135 5.6311 5.6322 7.0883 7.0885 7.2088 7.2092 k = 0.0250 0.0260 0.0000 ( 6811 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4417 -25.4417 -24.6359 -24.6359 -24.5846 -24.5846 -15.6251 -15.6241 -15.2611 -15.2599 -15.1217 -15.1215 -14.8141 -14.8140 -9.3619 -9.3617 -9.1293 -9.1281 -9.0786 -9.0783 -8.8770 -8.8769 -8.5412 -8.5402 -8.3888 -8.3880 -8.3435 -8.3426 -8.1613 -8.1601 -8.1022 -8.0991 -3.2953 -3.2950 -2.9074 -2.9013 -2.5281 -2.5108 -2.3655 -2.3547 -2.2977 -2.2966 -1.8032 -1.7989 -1.5148 -1.4787 -1.3155 -1.3073 -0.9677 -0.9673 0.6561 0.6561 0.6669 0.6670 0.7217 0.7218 2.9422 2.9446 4.0789 4.0791 4.4553 4.4658 4.7243 4.7385 5.1096 5.1161 5.6331 5.6351 7.0899 7.0903 7.2048 7.2056 k = 0.0375 0.0391 0.0000 ( 6807 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4417 -25.4417 -24.6358 -24.6358 -24.5848 -24.5848 -15.6261 -15.6246 -15.2610 -15.2594 -15.1218 -15.1215 -14.8142 -14.8139 -9.3619 -9.3615 -9.1300 -9.1282 -9.0787 -9.0782 -8.8738 -8.8736 -8.5402 -8.5388 -8.3888 -8.3874 -8.3433 -8.3421 -8.1626 -8.1608 -8.1032 -8.0987 -3.2975 -3.2973 -2.9102 -2.9013 -2.5329 -2.5070 -2.3676 -2.3515 -2.2974 -2.2958 -1.8062 -1.7999 -1.5246 -1.4715 -1.3157 -1.3039 -0.9680 -0.9672 0.6558 0.6560 0.6667 0.6668 0.7227 0.7228 2.9495 2.9530 4.0744 4.0748 4.4542 4.4704 4.7238 4.7450 5.1096 5.1192 5.6367 5.6396 7.0924 7.0930 7.1982 7.1994 k = 0.0500 0.0521 0.0000 ( 6807 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4416 -25.4416 -24.6356 -24.6356 -24.5850 -24.5850 -15.6273 -15.6253 -15.2614 -15.2593 -15.1221 -15.1217 -14.8142 -14.8138 -9.3618 -9.3614 -9.1307 -9.1283 -9.0787 -9.0781 -8.8693 -8.8691 -8.5388 -8.5371 -8.3888 -8.3866 -8.3428 -8.3415 -8.1643 -8.1618 -8.1044 -8.0984 -3.3013 -3.3011 -2.9144 -2.9027 -2.5383 -2.5038 -2.3696 -2.3486 -2.2971 -2.2950 -1.8103 -1.8022 -1.5345 -1.4655 -1.3150 -1.3003 -0.9682 -0.9673 0.6555 0.6557 0.6665 0.6666 0.7240 0.7242 2.9598 2.9644 4.0680 4.0685 4.4526 4.4745 4.7243 4.7526 5.1098 5.1226 5.6419 5.6456 7.0957 7.0965 7.1893 7.1908 k = 0.0625 0.0651 0.0000 ( 6795 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4414 -25.4414 -24.6354 -24.6354 -24.5853 -24.5853 -15.6288 -15.6264 -15.2612 -15.2585 -15.1221 -15.1216 -14.8142 -14.8137 -9.3617 -9.3611 -9.1316 -9.1286 -9.0788 -9.0779 -8.8636 -8.8634 -8.5370 -8.5351 -8.3888 -8.3856 -8.3420 -8.3408 -8.1663 -8.1633 -8.1055 -8.0982 -3.3054 -3.3052 -2.9185 -2.9041 -2.5432 -2.5003 -2.3711 -2.3455 -2.2964 -2.2939 -1.8143 -1.8048 -1.5441 -1.4606 -1.3130 -1.2962 -0.9683 -0.9673 0.6551 0.6554 0.6661 0.6662 0.7258 0.7260 2.9732 2.9787 4.0599 4.0606 4.4529 4.4802 4.7264 4.7618 5.1109 5.1270 5.6489 5.6532 7.0994 7.1003 7.1780 7.1798 k = 0.0750 0.0781 0.0000 ( 6815 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4413 -25.4413 -24.6351 -24.6351 -24.5856 -24.5856 -15.6306 -15.6277 -15.2619 -15.2588 -15.1226 -15.1221 -14.8143 -14.8138 -9.3615 -9.3609 -9.1326 -9.1290 -9.0788 -9.0778 -8.8567 -8.8565 -8.5348 -8.5328 -8.3889 -8.3845 -8.3410 -8.3400 -8.1688 -8.1651 -8.1068 -8.0981 -3.3117 -3.3115 -2.9244 -2.9075 -2.5492 -2.4979 -2.3728 -2.3428 -2.2960 -2.2928 -1.8197 -1.8093 -1.5536 -1.4574 -1.3110 -1.2930 -0.9689 -0.9676 0.6546 0.6549 0.6656 0.6657 0.7280 0.7283 2.9893 2.9956 4.0499 4.0507 4.4503 4.4838 4.7294 4.7717 5.1118 5.1311 5.6572 5.6621 7.1032 7.1040 7.1645 7.1665 k = 0.0875 0.0911 0.0000 ( 6823 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4411 -25.4411 -24.6349 -24.6348 -24.5860 -24.5860 -15.6325 -15.6292 -15.2624 -15.2588 -15.1230 -15.1224 -14.8144 -14.8137 -9.3613 -9.3606 -9.1337 -9.1295 -9.0787 -9.0776 -8.8487 -8.8485 -8.5322 -8.5303 -8.3891 -8.3831 -8.3396 -8.3392 -8.1715 -8.1673 -8.1081 -8.0981 -3.3188 -3.3185 -2.9307 -2.9112 -2.5549 -2.4955 -2.3740 -2.3401 -2.2955 -2.2915 -1.8252 -1.8141 -1.5628 -1.4553 -1.3080 -1.2895 -0.9692 -0.9680 0.6540 0.6544 0.6649 0.6651 0.7307 0.7310 3.0081 3.0151 4.0381 4.0390 4.4495 4.4879 4.7341 4.7832 5.1133 5.1361 5.6674 5.6724 7.1064 7.1069 7.1489 7.1512 k = 0.1000 0.1042 0.0000 ( 6790 PWs) bands (ev): -76.1550 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2810 -25.4409 -25.4409 -24.6345 -24.6345 -24.5865 -24.5865 -15.6347 -15.6310 -15.2614 -15.2575 -15.1230 -15.1222 -14.8143 -14.8135 -9.3611 -9.3602 -9.1348 -9.1300 -9.0786 -9.0774 -8.8396 -8.8393 -8.5292 -8.5277 -8.3894 -8.3814 -8.3382 -8.3378 -8.1746 -8.1697 -8.1094 -8.0982 -3.3250 -3.3249 -2.9360 -2.9144 -2.5590 -2.4919 -2.3746 -2.3371 -2.2940 -2.2899 -1.8302 -1.8178 -1.5713 -1.4536 -1.3039 -1.2854 -0.9693 -0.9681 0.6534 0.6539 0.6642 0.6643 0.7339 0.7343 3.0294 3.0370 4.0251 4.0261 4.4518 4.4962 4.7413 4.7968 5.1162 5.1425 5.6796 5.6847 7.1080 7.1082 7.1316 7.1343 k = 0.1125 0.1172 0.0000 ( 6810 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4407 -25.4407 -24.6341 -24.6341 -24.5870 -24.5870 -15.6371 -15.6330 -15.2620 -15.2578 -15.1236 -15.1227 -14.8144 -14.8136 -9.3608 -9.3598 -9.1361 -9.1305 -9.0785 -9.0772 -8.8294 -8.8291 -8.5262 -8.5251 -8.3898 -8.3797 -8.3371 -8.3357 -8.1779 -8.1724 -8.1108 -8.0984 -3.3343 -3.3341 -2.9438 -2.9201 -2.5650 -2.4899 -2.3755 -2.3349 -2.2934 -2.2884 -1.8364 -1.8238 -1.5799 -1.4539 -1.3005 -1.2826 -0.9698 -0.9687 0.6527 0.6532 0.6633 0.6634 0.7376 0.7380 3.0528 3.0608 4.0098 4.0110 4.4499 4.4999 4.7497 4.8111 5.1184 5.1483 5.6929 5.6978 7.1049 7.1059 7.1140 7.1178 k = 0.1250 0.1302 0.0000 ( 6810 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4404 -25.4404 -24.6337 -24.6337 -24.5876 -24.5876 -15.6396 -15.6352 -15.2623 -15.2576 -15.1240 -15.1231 -14.8144 -14.8135 -9.3604 -9.3593 -9.1373 -9.1312 -9.0783 -9.0769 -8.8182 -8.8179 -8.5229 -8.5225 -8.3903 -8.3777 -8.3359 -8.3333 -8.1815 -8.1753 -8.1121 -8.0986 -3.3438 -3.3437 -2.9516 -2.9259 -2.5697 -2.4876 -2.3758 -2.3328 -2.2923 -2.2866 -1.8424 -1.8294 -1.5881 -1.4546 -1.2967 -1.2798 -0.9701 -0.9692 0.6519 0.6524 0.6622 0.6622 0.7419 0.7422 3.0783 3.0865 3.9932 3.9943 4.4502 4.5045 4.7604 4.8272 5.1215 5.1553 5.7081 5.7125 7.0892 7.0906 7.1035 7.1103 k = 0.1375 0.1432 0.0000 ( 6806 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2810 -25.4402 -25.4402 -24.6333 -24.6332 -24.5882 -24.5882 -15.6423 -15.6377 -15.2624 -15.2576 -15.1244 -15.1234 -14.8144 -14.8134 -9.3600 -9.3588 -9.1385 -9.1318 -9.0780 -9.0765 -8.8061 -8.8058 -8.5202 -8.5197 -8.3908 -8.3756 -8.3345 -8.3306 -8.1853 -8.1783 -8.1133 -8.0989 -3.3545 -3.3540 -2.9598 -2.9328 -2.5743 -2.4852 -2.3759 -2.3308 -2.2909 -2.2848 -1.8487 -1.8352 -1.5960 -1.4563 -1.2930 -1.2773 -0.9704 -0.9698 0.6511 0.6516 0.6609 0.6610 0.7466 0.7470 3.1056 3.1137 3.9748 3.9761 4.4499 4.5094 4.7735 4.8448 5.1252 5.1628 5.7249 5.7286 7.0674 7.0691 7.0928 7.1044 k = 0.1500 0.1563 0.0000 ( 6798 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2810 -25.4399 -25.4399 -24.6328 -24.6328 -24.5888 -24.5888 -15.6451 -15.6403 -15.2624 -15.2573 -15.1247 -15.1237 -14.8143 -14.8134 -9.3596 -9.3582 -9.1398 -9.1324 -9.0777 -9.0760 -8.7932 -8.7929 -8.5180 -8.5165 -8.3912 -8.3732 -8.3330 -8.3276 -8.1891 -8.1815 -8.1145 -8.0992 -3.3656 -3.3650 -2.9683 -2.9399 -2.5778 -2.4828 -2.3756 -2.3293 -2.2895 -2.2827 -1.8548 -1.8405 -1.6037 -1.4583 -1.2895 -1.2752 -0.9707 -0.9704 0.6502 0.6508 0.6596 0.6596 0.7519 0.7523 3.1342 3.1422 3.9551 3.9564 4.4507 4.5137 4.7892 4.8641 5.1295 5.1715 5.7434 5.7461 7.0441 7.0457 7.0775 7.0955 k = 0.1625 0.1693 0.0000 ( 6794 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2810 -25.4396 -25.4396 -24.6323 -24.6322 -24.5895 -24.5895 -15.6481 -15.6430 -15.2627 -15.2573 -15.1250 -15.1240 -14.8142 -14.8133 -9.3590 -9.3576 -9.1410 -9.1330 -9.0772 -9.0755 -8.7795 -8.7791 -8.5162 -8.5136 -8.3914 -8.3707 -8.3314 -8.3245 -8.1931 -8.1847 -8.1156 -8.0996 -3.3779 -3.3772 -2.9776 -2.9480 -2.5812 -2.4805 -2.3752 -2.3281 -2.2879 -2.2806 -1.8610 -1.8458 -1.6112 -1.4611 -1.2866 -1.2737 -0.9711 -0.9710 0.6493 0.6500 0.6580 0.6581 0.7577 0.7580 3.1640 3.1715 3.9338 3.9352 4.4507 4.5168 4.8075 4.8846 5.1341 5.1808 5.7632 5.7648 7.0197 7.0213 7.0572 7.0829 k = 0.1750 0.1823 0.0000 ( 6810 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4392 -25.4392 -24.6317 -24.6317 -24.5902 -24.5902 -15.6512 -15.6459 -15.2630 -15.2577 -15.1256 -15.1246 -14.8143 -14.8133 -9.3585 -9.3569 -9.1422 -9.1337 -9.0767 -9.0749 -8.7651 -8.7647 -8.5149 -8.5112 -8.3913 -8.3681 -8.3296 -8.3212 -8.1970 -8.1879 -8.1167 -8.1000 -3.3911 -3.3902 -2.9871 -2.9568 -2.5847 -2.4784 -2.3749 -2.3277 -2.2863 -2.2785 -1.8673 -1.8508 -1.6188 -1.4647 -1.2845 -1.2730 -0.9721 -0.9715 0.6483 0.6490 0.6563 0.6565 0.7638 0.7642 3.1946 3.2014 3.9110 3.9126 4.4491 4.5192 4.8283 4.9065 5.1393 5.1910 5.7845 5.7846 6.9945 6.9960 7.0324 7.0665 k = 0.1875 0.1953 0.0000 ( 6818 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4389 -25.4389 -24.6312 -24.6311 -24.5909 -24.5909 -15.6543 -15.6490 -15.2635 -15.2581 -15.1262 -15.1252 -14.8143 -14.8132 -9.3578 -9.3561 -9.1433 -9.1343 -9.0761 -9.0742 -8.7501 -8.7497 -8.5141 -8.5092 -8.3908 -8.3653 -8.3277 -8.3179 -8.2009 -8.1910 -8.1176 -8.1003 -3.4052 -3.4041 -2.9970 -2.9664 -2.5872 -2.4765 -2.3744 -2.3276 -2.2846 -2.2763 -1.8735 -1.8555 -1.6264 -1.4685 -1.2830 -1.2728 -0.9731 -0.9719 0.6473 0.6480 0.6546 0.6549 0.7704 0.7708 3.2257 3.2316 3.8871 3.8887 4.4484 4.5199 4.8518 4.9295 5.1450 5.2024 5.8056 5.8071 6.9688 6.9703 7.0043 7.0466 k = 0.2000 0.2083 0.0000 ( 6810 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4386 -25.4386 -24.6306 -24.6306 -24.5917 -24.5917 -15.6575 -15.6521 -15.2634 -15.2581 -15.1265 -15.1255 -14.8142 -14.8131 -9.3571 -9.3553 -9.1443 -9.1348 -9.0753 -9.0734 -8.7347 -8.7342 -8.5139 -8.5079 -8.3897 -8.3624 -8.3256 -8.3146 -8.2046 -8.1940 -8.1184 -8.1007 -3.4194 -3.4180 -3.0065 -2.9758 -2.5883 -2.4738 -2.3735 -2.3277 -2.2823 -2.2739 -1.8794 -1.8589 -1.6335 -1.4723 -1.2818 -1.2727 -0.9741 -0.9723 0.6464 0.6470 0.6528 0.6532 0.7775 0.7778 3.2570 3.2619 3.8620 3.8637 4.4489 4.5221 4.8778 4.9534 5.1520 5.2160 5.8281 5.8314 6.9427 6.9442 6.9738 7.0238 k = 0.2125 0.2214 0.0000 ( 6810 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4382 -25.4382 -24.6300 -24.6300 -24.5925 -24.5925 -15.6608 -15.6553 -15.2638 -15.2582 -15.1270 -15.1260 -14.8141 -14.8130 -9.3563 -9.3544 -9.1453 -9.1353 -9.0744 -9.0725 -8.7188 -8.7184 -8.5142 -8.5074 -8.3881 -8.3595 -8.3233 -8.3114 -8.2081 -8.1967 -8.1191 -8.1011 -3.4343 -3.4329 -3.0164 -2.9857 -2.5887 -2.4715 -2.3726 -2.3287 -2.2801 -2.2715 -1.8851 -1.8620 -1.6409 -1.4766 -1.2815 -1.2733 -0.9752 -0.9728 0.6454 0.6459 0.6510 0.6516 0.7849 0.7852 3.2881 3.2918 3.8360 3.8377 4.4491 4.5222 4.9060 4.9775 5.1600 5.2315 5.8517 5.8569 6.9163 6.9181 6.9417 6.9986 k = 0.2250 0.2344 0.0000 ( 6810 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4379 -25.4379 -24.6294 -24.6293 -24.5933 -24.5933 -15.6640 -15.6585 -15.2641 -15.2583 -15.1275 -15.1265 -14.8140 -14.8130 -9.3555 -9.3535 -9.1461 -9.1358 -9.0735 -9.0715 -8.7027 -8.7022 -8.5152 -8.5077 -8.3858 -8.3566 -8.3208 -8.3082 -8.2113 -8.1992 -8.1196 -8.1014 -3.4497 -3.4483 -3.0263 -2.9959 -2.5885 -2.4693 -2.3717 -2.3302 -2.2777 -2.2691 -1.8907 -1.8645 -1.6481 -1.4812 -1.2819 -1.2745 -0.9764 -0.9734 0.6444 0.6447 0.6493 0.6501 0.7926 0.7929 3.3189 3.3211 3.8091 3.8109 4.4493 4.5217 4.9357 5.0015 5.1694 5.2494 5.8767 5.8838 6.8894 6.8921 6.9091 6.9715 k = 0.2375 0.2474 0.0000 ( 6838 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4375 -25.4375 -24.6288 -24.6287 -24.5941 -24.5941 -15.6674 -15.6618 -15.2653 -15.2599 -15.1286 -15.1275 -14.8140 -14.8129 -9.3546 -9.3525 -9.1469 -9.1363 -9.0724 -9.0704 -8.6864 -8.6859 -8.5168 -8.5090 -8.3830 -8.3539 -8.3182 -8.3053 -8.2142 -8.2015 -8.1200 -8.1017 -3.4669 -3.4647 -3.0369 -3.0075 -2.5904 -2.4682 -2.3712 -2.3324 -2.2755 -2.2668 -1.8966 -1.8673 -1.6556 -1.4871 -1.2836 -1.2768 -0.9779 -0.9742 0.6432 0.6433 0.6475 0.6486 0.8006 0.8009 3.3488 3.3495 3.7813 3.7833 4.4448 4.5184 4.9660 5.0243 5.1804 5.2692 5.9021 5.9115 6.8611 6.8664 6.8772 6.9429 k = 0.2500 0.2604 0.0000 ( 6826 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4372 -25.4371 -24.6282 -24.6281 -24.5949 -24.5949 -15.6706 -15.6651 -15.2651 -15.2598 -15.1289 -15.1279 -14.8138 -14.8128 -9.3536 -9.3515 -9.1475 -9.1366 -9.0712 -9.0692 -8.6701 -8.6696 -8.5189 -8.5110 -8.3796 -8.3513 -8.3152 -8.3026 -8.2165 -8.2033 -8.1202 -8.1019 -3.4827 -3.4804 -3.0460 -3.0174 -2.5880 -2.4653 -2.3701 -2.3345 -2.2724 -2.2642 -1.9015 -1.8680 -1.6625 -1.4920 -1.2851 -1.2787 -0.9792 -0.9749 0.6419 0.6419 0.6461 0.6474 0.8088 0.8091 3.3770 3.3780 3.7533 3.7553 4.4463 4.5188 4.9966 5.0461 5.1951 5.2938 5.9301 5.9415 6.8305 6.8411 6.8485 6.9136 k = 0.2625 0.2734 0.0000 ( 6814 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4368 -25.4368 -24.6275 -24.6275 -24.5957 -24.5957 -15.6738 -15.6684 -15.2652 -15.2600 -15.1293 -15.1283 -14.8137 -14.8126 -9.3525 -9.3504 -9.1481 -9.1370 -9.0698 -9.0679 -8.6539 -8.6534 -8.5215 -8.5137 -8.3757 -8.3491 -8.3119 -8.3001 -8.2183 -8.2048 -8.1201 -8.1021 -3.4989 -3.4966 -3.0551 -3.0276 -2.5856 -2.4629 -2.3691 -2.3370 -2.2695 -2.2617 -1.9061 -1.8681 -1.6693 -1.4973 -1.2870 -1.2809 -0.9805 -0.9757 0.6404 0.6406 0.6448 0.6465 0.8173 0.8176 3.4034 3.4060 3.7248 3.7269 4.4468 4.5181 5.0257 5.0661 5.2136 5.3217 5.9596 5.9729 6.7980 6.8164 6.8226 6.8839 k = 0.2750 0.2865 0.0000 ( 6814 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4364 -25.4364 -24.6269 -24.6269 -24.5965 -24.5965 -15.6769 -15.6716 -15.2656 -15.2604 -15.1298 -15.1288 -14.8135 -14.8125 -9.3515 -9.3493 -9.1485 -9.1373 -9.0684 -9.0665 -8.6380 -8.6375 -8.5245 -8.5170 -8.3715 -8.3472 -8.3083 -8.2980 -8.2196 -8.2060 -8.1199 -8.1022 -3.5155 -3.5131 -3.0643 -3.0377 -2.5827 -2.4611 -2.3684 -2.3401 -2.2666 -2.2592 -1.9104 -1.8680 -1.6761 -1.5031 -1.2896 -1.2839 -0.9820 -0.9766 0.6388 0.6390 0.6438 0.6456 0.8259 0.8261 3.4283 3.4326 3.6961 3.6984 4.4471 4.5158 5.0519 5.0838 5.2365 5.3529 5.9904 6.0057 6.7650 6.7924 6.7984 6.8540 k = 0.2875 0.2995 0.0000 ( 6834 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4361 -25.4361 -24.6263 -24.6263 -24.5973 -24.5973 -15.6800 -15.6749 -15.2665 -15.2616 -15.1306 -15.1297 -14.8135 -14.8125 -9.3503 -9.3481 -9.1488 -9.1376 -9.0669 -9.0650 -8.6226 -8.6222 -8.5277 -8.5208 -8.3671 -8.3457 -8.3045 -8.2960 -8.2204 -8.2068 -8.1196 -8.1023 -3.5327 -3.5302 -3.0737 -3.0484 -2.5810 -2.4603 -2.3680 -2.3437 -2.2639 -2.2568 -1.9146 -1.8680 -1.6829 -1.5098 -1.2931 -1.2876 -0.9836 -0.9778 0.6370 0.6373 0.6429 0.6448 0.8345 0.8348 3.4516 3.4576 3.6674 3.6699 4.4444 4.5114 5.0739 5.0991 5.2646 5.3867 6.0225 6.0399 6.7321 6.7690 6.7755 6.8242 k = 0.3000 0.3125 0.0000 ( 6838 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4357 -25.4357 -24.6257 -24.6256 -24.5981 -24.5981 -15.6830 -15.6780 -15.2670 -15.2622 -15.1311 -15.1302 -14.8133 -14.8124 -9.3492 -9.3470 -9.1490 -9.1379 -9.0653 -9.0635 -8.6079 -8.6077 -8.5307 -8.5246 -8.3627 -8.3446 -8.3005 -8.2943 -8.2205 -8.2072 -8.1190 -8.1022 -3.5494 -3.5468 -3.0821 -3.0583 -2.5775 -2.4590 -2.3676 -2.3470 -2.2610 -2.2544 -1.9181 -1.8670 -1.6891 -1.5163 -1.2967 -1.2913 -0.9852 -0.9790 0.6353 0.6356 0.6423 0.6441 0.8433 0.8435 3.4733 3.4811 3.6390 3.6419 4.4439 4.5084 5.0923 5.1126 5.2979 5.4233 6.0572 6.0764 6.7001 6.7463 6.7539 6.7951 k = 0.3125 0.3255 0.0000 ( 6854 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1927 -45.1927 -44.2811 -44.2811 -25.4354 -25.4354 -24.6251 -24.6251 -24.5989 -24.5989 -15.6859 -15.6811 -15.2678 -15.2632 -15.1317 -15.1309 -14.8132 -14.8124 -9.3480 -9.3458 -9.1491 -9.1381 -9.0636 -9.0618 -8.5947 -8.5944 -8.5332 -8.5282 -8.3584 -8.3438 -8.2965 -8.2928 -8.2201 -8.2073 -8.1183 -8.1021 -3.5661 -3.5635 -3.0904 -3.0680 -2.5742 -2.4587 -2.3674 -2.3505 -2.2582 -2.2521 -1.9212 -1.8661 -1.6950 -1.5233 -1.3007 -1.2953 -0.9868 -0.9803 0.6337 0.6339 0.6417 0.6435 0.8519 0.8521 3.4929 3.5026 3.6111 3.6147 4.4426 4.5040 5.1070 5.1243 5.3351 5.4614 6.0936 6.1147 6.6692 6.7242 6.7334 6.7667 k = 0.3250 0.3385 0.0000 ( 6858 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1927 -45.1927 -44.2811 -44.2811 -25.4351 -25.4351 -24.6245 -24.6245 -24.5996 -24.5996 -15.6886 -15.6840 -15.2682 -15.2638 -15.1322 -15.1315 -14.8131 -14.8123 -9.3468 -9.3446 -9.1491 -9.1384 -9.0618 -9.0601 -8.5840 -8.5828 -8.5341 -8.5307 -8.3544 -8.3432 -8.2924 -8.2913 -8.2191 -8.2070 -8.1173 -8.1019 -3.5821 -3.5796 -3.0979 -3.0769 -2.5698 -2.4582 -2.3673 -2.3538 -2.2552 -2.2497 -1.9236 -1.8648 -1.7001 -1.5304 -1.3047 -1.2994 -0.9884 -0.9816 0.6321 0.6323 0.6412 0.6431 0.8605 0.8606 3.5099 3.5218 3.5846 3.5893 4.4427 4.5007 5.1192 5.1345 5.3751 5.5006 6.1328 6.1555 6.6399 6.7023 6.7141 6.7399 k = 0.3375 0.3516 0.0000 ( 6882 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4348 -25.4348 -24.6240 -24.6239 -24.6003 -24.6003 -15.6913 -15.6869 -15.2695 -15.2653 -15.1331 -15.1323 -14.8131 -14.8123 -9.3456 -9.3435 -9.1491 -9.1386 -9.0600 -9.0584 -8.5771 -8.5745 -8.5322 -8.5308 -8.3508 -8.3429 -8.2898 -8.2885 -8.2177 -8.2065 -8.1162 -8.1017 -3.5983 -3.5957 -3.1057 -3.0863 -2.5672 -2.4596 -2.3676 -2.3571 -2.2526 -2.2476 -1.9258 -1.8643 -1.7046 -1.5383 -1.3093 -1.3039 -0.9900 -0.9832 0.6305 0.6307 0.6408 0.6426 0.8688 0.8690 3.5211 3.5354 3.5626 3.5688 4.4394 4.4947 5.1288 5.1430 5.4164 5.5395 6.1736 6.1983 6.6120 6.6802 6.6961 6.7151 k = 0.3500 0.3646 0.0000 ( 6882 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4345 -25.4345 -24.6235 -24.6234 -24.6010 -24.6010 -15.6937 -15.6896 -15.2699 -15.2658 -15.1335 -15.1328 -14.8129 -14.8122 -9.3444 -9.3423 -9.1489 -9.1388 -9.0581 -9.0567 -8.5745 -8.5707 -8.5272 -8.5267 -8.3476 -8.3427 -8.2882 -8.2848 -8.2158 -8.2055 -8.1150 -8.1014 -3.6132 -3.6108 -3.1121 -3.0942 -2.5619 -2.4602 -2.3677 -2.3599 -2.2499 -2.2454 -1.9270 -1.8633 -1.7080 -1.5459 -1.3134 -1.3081 -0.9915 -0.9846 0.6290 0.6292 0.6405 0.6422 0.8770 0.8772 3.5173 3.5252 3.5630 3.5638 4.4402 4.4913 5.1374 5.1508 5.4582 5.5779 6.2176 6.2441 6.5866 6.6576 6.6795 6.6931 k = 0.3625 0.3776 0.0000 ( 6882 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4342 -25.4342 -24.6230 -24.6229 -24.6016 -24.6016 -15.6960 -15.6922 -15.2702 -15.2663 -15.1339 -15.1333 -14.8127 -14.8121 -9.3432 -9.3412 -9.1486 -9.1390 -9.0563 -9.0549 -8.5754 -8.5711 -8.5203 -8.5187 -8.3449 -8.3426 -8.2866 -8.2814 -8.2136 -8.2043 -8.1136 -8.1010 -3.6275 -3.6252 -3.1179 -3.1015 -2.5564 -2.4613 -2.3680 -2.3624 -2.2472 -2.2432 -1.9276 -1.8628 -1.7102 -1.5538 -1.3175 -1.3123 -0.9929 -0.9861 0.6277 0.6278 0.6402 0.6419 0.8849 0.8850 3.4994 3.5029 3.5711 3.5768 4.4412 4.4878 5.1450 5.1577 5.4995 5.6147 6.2633 6.2923 6.5642 6.6344 6.6642 6.6741 k = 0.3750 0.3906 0.0000 ( 6874 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4339 -25.4339 -24.6225 -24.6225 -24.6022 -24.6022 -15.6981 -15.6946 -15.2702 -15.2668 -15.1341 -15.1336 -14.8126 -14.8120 -9.3420 -9.3402 -9.1482 -9.1392 -9.0544 -9.0532 -8.5781 -8.5739 -8.5118 -8.5096 -8.3427 -8.3426 -8.2849 -8.2784 -8.2111 -8.2029 -8.1121 -8.1006 -3.6408 -3.6388 -3.1231 -3.1081 -2.5506 -2.4622 -2.3682 -2.3642 -2.2446 -2.2411 -1.9276 -1.8626 -1.7110 -1.5619 -1.3213 -1.3162 -0.9942 -0.9876 0.6264 0.6266 0.6401 0.6417 0.8924 0.8925 3.4785 3.4804 3.5823 3.5896 4.4423 4.4856 5.1518 5.1638 5.5396 5.6495 6.3098 6.3428 6.5460 6.6114 6.6504 6.6577 k = 0.3875 0.4037 0.0000 ( 6874 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4337 -25.4337 -24.6221 -24.6220 -24.6028 -24.6028 -15.7000 -15.6968 -15.2706 -15.2672 -15.1344 -15.1340 -14.8124 -14.8119 -9.3409 -9.3392 -9.1478 -9.1395 -9.0526 -9.0515 -8.5816 -8.5777 -8.5030 -8.5006 -8.3425 -8.3410 -8.2831 -8.2758 -8.2084 -8.2013 -8.1105 -8.1002 -3.6533 -3.6515 -3.1278 -3.1143 -2.5448 -2.4644 -2.3686 -2.3660 -2.2422 -2.2392 -1.9269 -1.8635 -1.7106 -1.5704 -1.3251 -1.3202 -0.9954 -0.9891 0.6253 0.6254 0.6400 0.6415 0.8994 0.8995 3.4580 3.4591 3.5932 3.6012 4.4437 4.4822 5.1578 5.1691 5.5779 5.6815 6.3536 6.3944 6.5350 6.5897 6.6381 6.6439 k = 0.4000 0.4167 0.0000 ( 6882 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4335 -25.4335 -24.6217 -24.6216 -24.6033 -24.6033 -15.7017 -15.6988 -15.2710 -15.2679 -15.1348 -15.1345 -14.8123 -14.8119 -9.3399 -9.3383 -9.1473 -9.1397 -9.0509 -9.0499 -8.5854 -8.5819 -8.4945 -8.4921 -8.3424 -8.3398 -8.2813 -8.2736 -8.2057 -8.1995 -8.1090 -8.0998 -3.6650 -3.6634 -3.1320 -3.1200 -2.5396 -2.4674 -2.3693 -2.3676 -2.2401 -2.2375 -1.9258 -1.8653 -1.7088 -1.5793 -1.3289 -1.3243 -0.9965 -0.9907 0.6242 0.6243 0.6399 0.6412 0.9059 0.9060 3.4387 3.4394 3.6032 3.6113 4.4440 4.4785 5.1630 5.1735 5.6140 5.7103 6.3884 6.4442 6.5372 6.5719 6.6277 6.6325 k = 0.4125 0.4297 0.0000 ( 6866 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4333 -25.4333 -24.6213 -24.6213 -24.6037 -24.6037 -15.7032 -15.7007 -15.2706 -15.2680 -15.1349 -15.1345 -14.8121 -14.8117 -9.3388 -9.3374 -9.1468 -9.1400 -9.0493 -9.0484 -8.5892 -8.5861 -8.4867 -8.4843 -8.3422 -8.3389 -8.2795 -8.2719 -8.2029 -8.1977 -8.1074 -8.0994 -3.6751 -3.6737 -3.1350 -3.1247 -2.5332 -2.4693 -2.3696 -2.3684 -2.2379 -2.2357 -1.9238 -1.8673 -1.7054 -1.5881 -1.3318 -1.3274 -0.9974 -0.9921 0.6233 0.6234 0.6399 0.6411 0.9119 0.9120 3.4212 3.4216 3.6124 3.6201 4.4469 4.4774 5.1682 5.1777 5.6477 5.7358 6.4072 6.4822 6.5590 6.5674 6.6207 6.6251 k = 0.4250 0.4427 0.0000 ( 6858 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4331 -25.4331 -24.6210 -24.6210 -24.6041 -24.6041 -15.7045 -15.7023 -15.2705 -15.2682 -15.1350 -15.1347 -14.8120 -14.8116 -9.3379 -9.3367 -9.1463 -9.1403 -9.0478 -9.0471 -8.5927 -8.5901 -8.4798 -8.4775 -8.3419 -8.3384 -8.2778 -8.2707 -8.2002 -8.1959 -8.1058 -8.0990 -3.6842 -3.6829 -3.1377 -3.1289 -2.5270 -2.4721 -2.3700 -2.3692 -2.2360 -2.2342 -1.9213 -1.8703 -1.7007 -1.5972 -1.3345 -1.3306 -0.9982 -0.9934 0.6225 0.6226 0.6399 0.6410 0.9172 0.9172 3.4056 3.4059 3.6203 3.6274 4.4495 4.4753 5.1727 5.1811 5.6787 5.7574 6.4111 6.4895 6.5849 6.5872 6.6281 6.6309 k = 0.4375 0.4557 0.0000 ( 6870 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4329 -25.4329 -24.6207 -24.6207 -24.6044 -24.6044 -15.7056 -15.7037 -15.2708 -15.2688 -15.1353 -15.1351 -14.8120 -14.8117 -9.3371 -9.3361 -9.1457 -9.1407 -9.0465 -9.0459 -8.5959 -8.5937 -8.4738 -8.4718 -8.3416 -8.3380 -8.2763 -8.2698 -8.1977 -8.1943 -8.1044 -8.0988 -3.6922 -3.6912 -3.1402 -3.1328 -2.5221 -2.4761 -2.3706 -2.3701 -2.2345 -2.2331 -1.9184 -1.8743 -1.6951 -1.6068 -1.3372 -1.3338 -0.9989 -0.9948 0.6218 0.6219 0.6399 0.6408 0.9218 0.9218 3.3920 3.3923 3.6270 3.6332 4.4499 4.4718 5.1762 5.1835 5.7065 5.7747 6.4084 6.4780 6.5913 6.5917 6.6704 6.6711 k = 0.4500 0.4688 0.0000 ( 6870 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6205 -24.6205 -24.6047 -24.6047 -15.7064 -15.7050 -15.2709 -15.2691 -15.1354 -15.1353 -14.8118 -14.8116 -9.3364 -9.3356 -9.1451 -9.1411 -9.0453 -9.0448 -8.5986 -8.5968 -8.4688 -8.4671 -8.3411 -8.3380 -8.2748 -8.2694 -8.1955 -8.1928 -8.1031 -8.0986 -3.6988 -3.6981 -3.1421 -3.1360 -2.5166 -2.4802 -2.3709 -2.3707 -2.2332 -2.2320 -1.9150 -1.8786 -1.6884 -1.6164 -1.3392 -1.3364 -0.9993 -0.9960 0.6213 0.6213 0.6400 0.6407 0.9256 0.9256 3.3808 3.3810 3.6327 3.6379 4.4520 4.4688 5.1794 5.1855 5.7312 5.7878 6.4049 6.4625 6.5882 6.5885 6.7273 6.7287 k = 0.4625 0.4818 0.0000 ( 6870 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4327 -25.4327 -24.6203 -24.6203 -24.6049 -24.6049 -15.7070 -15.7060 -15.2710 -15.2694 -15.1355 -15.1355 -14.8118 -14.8116 -9.3359 -9.3352 -9.1446 -9.1415 -9.0444 -9.0440 -8.6007 -8.5994 -8.4649 -8.4635 -8.3406 -8.3380 -8.2735 -8.2693 -8.1937 -8.1917 -8.1019 -8.0986 -3.7039 -3.7035 -3.1434 -3.1387 -2.5112 -2.4845 -2.3712 -2.3711 -2.2322 -2.2312 -1.9111 -1.8833 -1.6809 -1.6260 -1.3406 -1.3386 -0.9996 -0.9970 0.6208 0.6209 0.6401 0.6406 0.9286 0.9287 3.3719 3.3721 3.6373 3.6413 4.4544 4.4658 5.1820 5.1868 5.7525 5.7963 6.4027 6.4472 6.5845 6.5848 6.7887 6.7904 k = 0.4750 0.4948 0.0000 ( 6862 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4327 -25.4327 -24.6202 -24.6202 -24.6051 -24.6051 -15.7074 -15.7067 -15.2708 -15.2696 -15.1356 -15.1355 -14.8116 -14.8116 -9.3354 -9.3350 -9.1440 -9.1419 -9.0437 -9.0435 -8.6022 -8.6013 -8.4620 -8.4610 -8.3401 -8.3383 -8.2723 -8.2694 -8.1922 -8.1909 -8.1009 -8.0987 -3.7075 -3.7074 -3.1440 -3.1406 -2.5058 -2.4885 -2.3714 -2.3712 -2.2313 -2.2307 -1.9068 -1.8881 -1.6726 -1.6356 -1.3413 -1.3400 -0.9996 -0.9978 0.6205 0.6206 0.6402 0.6405 0.9308 0.9309 3.3655 3.3657 3.6408 3.6436 4.4570 4.4638 5.1842 5.1877 5.7703 5.8002 6.4030 6.4333 6.5816 6.5819 6.8511 6.8532 k = 0.4875 0.5078 0.0000 ( 6838 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4326 -25.4326 -24.6201 -24.6201 -24.6052 -24.6052 -15.7076 -15.7072 -15.2697 -15.2690 -15.1352 -15.1352 -14.8115 -14.8115 -9.3351 -9.3348 -9.1434 -9.1424 -9.0433 -9.0431 -8.6030 -8.6026 -8.4601 -8.4597 -8.3396 -8.3386 -8.2713 -8.2698 -8.1911 -8.1905 -8.1000 -8.0989 -3.7091 -3.7090 -3.1429 -3.1413 -2.4992 -2.4907 -2.3711 -2.3711 -2.2305 -2.2302 -1.9019 -1.8923 -1.6633 -1.6447 -1.3413 -1.3406 -0.9993 -0.9984 0.6204 0.6204 0.6404 0.6405 0.9322 0.9322 3.3618 3.3619 3.6433 3.6447 4.4622 4.4656 5.1867 5.1884 5.7845 5.7997 6.4062 6.4216 6.5799 6.5800 6.9121 6.9145 k = 0.5000 0.5208 0.0000 ( 6854 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4326 -25.4326 -24.6201 -24.6201 -24.6052 -24.6052 -15.7075 -15.7075 -15.2699 -15.2699 -15.1355 -15.1355 -14.8115 -14.8115 -9.3349 -9.3349 -9.1429 -9.1429 -9.0431 -9.0431 -8.6031 -8.6031 -8.4594 -8.4594 -8.3391 -8.3391 -8.2705 -8.2705 -8.1906 -8.1906 -8.0994 -8.0994 -3.7103 -3.7103 -3.1429 -3.1429 -2.4961 -2.4961 -2.3714 -2.3714 -2.2304 -2.2304 -1.8975 -1.8975 -1.6544 -1.6544 -1.3415 -1.3415 -0.9990 -0.9990 0.6203 0.6203 0.6404 0.6404 0.9326 0.9326 3.3605 3.3605 3.6446 3.6446 4.4617 4.4617 5.1874 5.1874 5.7940 5.7940 6.4124 6.4124 6.5793 6.5793 6.9527 6.9527 k = 0.5000 0.5208 0.0000 ( 6854 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4326 -25.4326 -24.6201 -24.6201 -24.6052 -24.6052 -15.7075 -15.7075 -15.2699 -15.2699 -15.1355 -15.1355 -14.8115 -14.8115 -9.3349 -9.3349 -9.1429 -9.1429 -9.0431 -9.0431 -8.6031 -8.6031 -8.4594 -8.4594 -8.3391 -8.3391 -8.2705 -8.2705 -8.1906 -8.1906 -8.0994 -8.0994 -3.7103 -3.7103 -3.1429 -3.1429 -2.4961 -2.4961 -2.3714 -2.3714 -2.2304 -2.2304 -1.8975 -1.8975 -1.6544 -1.6544 -1.3415 -1.3415 -0.9990 -0.9990 0.6203 0.6203 0.6404 0.6404 0.9326 0.9326 3.3605 3.3605 3.6446 3.6446 4.4617 4.4617 5.1874 5.1874 5.7940 5.7940 6.4124 6.4124 6.5793 6.5793 6.9527 6.9527 k = 0.4912 0.5293 0.0122 ( 6854 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4326 -25.4326 -24.6201 -24.6201 -24.6053 -24.6052 -15.7077 -15.7075 -15.2722 -15.2678 -15.1374 -15.1335 -14.8142 -14.8088 -9.3354 -9.3344 -9.1435 -9.1422 -9.0443 -9.0422 -8.6096 -8.5971 -8.4611 -8.4579 -8.3437 -8.3342 -8.2721 -8.2684 -8.1925 -8.1890 -8.1008 -8.0985 -3.7117 -3.7081 -3.1463 -3.1390 -2.4996 -2.4929 -2.3726 -2.3701 -2.2326 -2.2292 -1.9019 -1.8926 -1.6598 -1.6484 -1.3477 -1.3356 -1.0039 -0.9943 0.6195 0.6202 0.6398 0.6400 0.9326 0.9327 3.3599 3.3630 3.6447 3.6472 4.4589 4.4636 5.1854 5.1885 5.7881 5.7997 6.4089 6.4125 6.5785 6.5791 6.9487 6.9568 k = 0.4824 0.5377 0.0244 ( 6846 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4326 -25.4326 -24.6200 -24.6200 -24.6053 -24.6053 -15.7079 -15.7076 -15.2740 -15.2652 -15.1389 -15.1312 -14.8169 -14.8061 -9.3359 -9.3340 -9.1440 -9.1415 -9.0458 -9.0417 -8.6165 -8.5916 -8.4632 -8.4568 -8.3481 -8.3293 -8.2730 -8.2658 -8.1946 -8.1876 -8.1024 -8.0978 -3.7120 -3.7047 -3.1484 -3.1339 -2.5026 -2.4891 -2.3737 -2.3687 -2.2357 -2.2290 -1.9054 -1.8868 -1.6641 -1.6414 -1.3537 -1.3297 -1.0086 -0.9895 0.6176 0.6189 0.6384 0.6386 0.9326 0.9329 3.3614 3.3676 3.6475 3.6526 4.4574 4.4663 5.1827 5.1890 5.7819 5.8052 6.4019 6.4092 6.5769 6.5780 6.9451 6.9611 k = 0.4736 0.5462 0.0366 ( 6862 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4326 -25.4326 -24.6199 -24.6199 -24.6055 -24.6055 -15.7084 -15.7078 -15.2764 -15.2633 -15.1407 -15.1292 -14.8195 -14.8034 -9.3365 -9.3336 -9.1445 -9.1407 -9.0477 -9.0415 -8.6237 -8.5867 -8.4654 -8.4561 -8.3522 -8.3243 -8.2735 -8.2628 -8.1969 -8.1866 -8.1043 -8.0976 -3.7119 -3.7010 -3.1503 -3.1286 -2.5074 -2.4870 -2.3750 -2.3677 -2.2398 -2.2301 -1.9088 -1.8810 -1.6678 -1.6341 -1.3606 -1.3246 -1.0135 -0.9848 0.6141 0.6160 0.6364 0.6367 0.9326 0.9331 3.3647 3.3741 3.6530 3.6607 4.4528 4.4659 5.1786 5.1879 5.7751 5.8100 6.3913 6.4025 6.5743 6.5760 6.9412 6.9647 k = 0.4648 0.5546 0.0488 ( 6856 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4326 -25.4326 -24.6197 -24.6197 -24.6057 -24.6057 -15.7089 -15.7082 -15.2780 -15.2606 -15.1419 -15.1269 -14.8219 -14.8008 -9.3371 -9.3332 -9.1448 -9.1398 -9.0498 -9.0416 -8.6310 -8.5827 -8.4676 -8.4557 -8.3559 -8.3194 -8.2734 -8.2594 -8.1994 -8.1860 -8.1064 -8.0977 -3.7104 -3.6958 -3.1505 -3.1218 -2.5108 -2.4833 -2.3758 -2.3664 -2.2444 -2.2320 -1.9112 -1.8742 -1.6701 -1.6259 -1.3670 -1.3192 -1.0182 -0.9802 0.6087 0.6111 0.6346 0.6351 0.9327 0.9334 3.3700 3.3825 3.6611 3.6714 4.4511 4.4677 5.1741 5.1865 5.7682 5.8147 6.3772 6.3922 6.5709 6.5734 6.9380 6.9672 k = 0.4560 0.5631 0.0610 ( 6860 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4326 -25.4326 -24.6194 -24.6194 -24.6060 -24.6060 -15.7095 -15.7086 -15.2796 -15.2582 -15.1430 -15.1245 -14.8243 -14.7982 -9.3377 -9.3328 -9.1451 -9.1389 -9.0522 -9.0421 -8.6385 -8.5795 -8.4699 -8.4556 -8.3591 -8.3146 -8.2727 -8.2558 -8.2020 -8.1857 -8.1086 -8.0982 -3.7084 -3.6900 -3.1502 -3.1144 -2.5150 -2.4801 -2.3765 -2.3652 -2.2498 -2.2348 -1.9134 -1.8672 -1.6712 -1.6173 -1.3737 -1.3143 -1.0228 -0.9758 0.6012 0.6040 0.6331 0.6340 0.9328 0.9336 3.3771 3.3926 3.6719 3.6848 4.4485 4.4682 5.1686 5.1841 5.7608 5.8189 6.3595 6.3784 6.5669 6.5703 6.9345 6.9653 k = 0.4472 0.5715 0.0732 ( 6864 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4326 -25.4326 -24.6192 -24.6191 -24.6063 -24.6063 -15.7102 -15.7092 -15.2810 -15.2557 -15.1439 -15.1222 -14.8264 -14.7957 -9.3384 -9.3325 -9.1454 -9.1379 -9.0549 -9.0429 -8.6461 -8.5774 -8.4719 -8.4556 -8.3620 -8.3100 -8.2716 -8.2519 -8.2048 -8.1859 -8.1110 -8.0991 -3.7055 -3.6833 -3.1489 -3.1061 -2.5192 -2.4771 -2.3770 -2.3639 -2.2556 -2.2385 -1.9151 -1.8601 -1.6709 -1.6080 -1.3805 -1.3097 -1.0273 -0.9715 0.5916 0.5949 0.6321 0.6335 0.9329 0.9338 3.3858 3.4044 3.6850 3.7006 4.4464 4.4685 5.1623 5.1806 5.7530 5.8225 6.3384 6.3609 6.5623 6.5669 6.9309 6.9588 k = 0.4384 0.5800 0.0854 ( 6864 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4326 -25.4326 -24.6188 -24.6188 -24.6067 -24.6067 -15.7109 -15.7098 -15.2822 -15.2531 -15.1445 -15.1197 -14.8284 -14.7934 -9.3391 -9.3322 -9.1456 -9.1369 -9.0577 -9.0440 -8.6537 -8.5763 -8.4736 -8.4558 -8.3645 -8.3056 -8.2701 -8.2480 -8.2076 -8.1866 -8.1134 -8.1003 -3.7017 -3.6758 -3.1465 -3.0970 -2.5234 -2.4740 -2.3774 -2.3625 -2.2618 -2.2428 -1.9165 -1.8527 -1.6692 -1.5982 -1.3873 -1.3053 -1.0317 -0.9674 0.5803 0.5838 0.6315 0.6333 0.9328 0.9339 3.3961 3.4178 3.7006 3.7188 4.4447 4.4692 5.1551 5.1761 5.7447 5.8257 6.3140 6.3399 6.5573 6.5634 6.9270 6.9517 k = 0.4296 0.5884 0.0976 ( 6872 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4326 -25.4326 -24.6184 -24.6184 -24.6071 -24.6071 -15.7117 -15.7105 -15.2834 -15.2506 -15.1451 -15.1173 -14.8301 -14.7912 -9.3399 -9.3320 -9.1458 -9.1358 -9.0608 -9.0454 -8.6612 -8.5764 -8.4750 -8.4559 -8.3666 -8.3013 -8.2683 -8.2443 -8.2103 -8.1877 -8.1157 -8.1018 -3.6972 -3.6677 -3.1434 -3.0874 -2.5284 -2.4716 -2.3777 -2.3609 -2.2681 -2.2478 -1.9180 -1.8456 -1.6662 -1.5881 -1.3943 -1.3014 -1.0359 -0.9635 0.5675 0.5713 0.6313 0.6336 0.9326 0.9338 3.4077 3.4324 3.7184 3.7392 4.4422 4.4689 5.1469 5.1704 5.7357 5.8281 6.2868 6.3156 6.5522 6.5597 6.9226 6.9457 k = 0.4208 0.5968 0.1098 ( 6872 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4327 -25.4327 -24.6180 -24.6179 -24.6076 -24.6076 -15.7125 -15.7112 -15.2844 -15.2481 -15.1453 -15.1149 -14.8316 -14.7891 -9.3407 -9.3318 -9.1460 -9.1348 -9.0640 -9.0471 -8.6685 -8.5775 -8.4761 -8.4558 -8.3685 -8.2972 -8.2662 -8.2408 -8.2130 -8.1893 -8.1180 -8.1036 -3.6920 -3.6587 -3.1394 -3.0771 -2.5333 -2.4692 -2.3779 -2.3589 -2.2744 -2.2531 -1.9193 -1.8386 -1.6616 -1.5775 -1.4012 -1.2976 -1.0400 -0.9598 0.5534 0.5574 0.6314 0.6341 0.9322 0.9335 3.4207 3.4484 3.7382 3.7618 4.4404 4.4686 5.1379 5.1638 5.7262 5.8297 6.2573 6.2883 6.5471 6.5561 6.9181 6.9411 k = 0.4120 0.6053 0.1219 ( 6860 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4327 -25.4327 -24.6175 -24.6174 -24.6081 -24.6081 -15.7133 -15.7120 -15.2849 -15.2454 -15.1451 -15.1125 -14.8329 -14.7872 -9.3416 -9.3317 -9.1462 -9.1339 -9.0674 -9.0491 -8.6755 -8.5796 -8.4772 -8.4554 -8.3701 -8.2933 -8.2641 -8.2379 -8.2152 -8.1912 -8.1202 -8.1057 -3.6858 -3.6489 -3.1342 -3.0661 -2.5379 -2.4669 -2.3781 -2.3564 -2.2803 -2.2587 -1.9205 -1.8317 -1.6556 -1.5664 -1.4079 -1.2940 -1.0438 -0.9563 0.5383 0.5425 0.6319 0.6351 0.9316 0.9330 3.4348 3.4654 3.7601 3.7864 4.4393 4.4686 5.1280 5.1561 5.7161 5.8303 6.2259 6.2585 6.5421 6.5526 6.9143 6.9382 k = 0.4032 0.6137 0.1341 ( 6862 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4327 -25.4327 -24.6169 -24.6169 -24.6087 -24.6087 -15.7141 -15.7127 -15.2857 -15.2435 -15.1449 -15.1102 -14.8339 -14.7855 -9.3426 -9.3317 -9.1465 -9.1330 -9.0709 -9.0512 -8.6823 -8.5825 -8.4782 -8.4546 -8.3716 -8.2896 -8.2621 -8.2359 -8.2168 -8.1934 -8.1222 -8.1080 -3.6794 -3.6388 -3.1290 -3.0549 -2.5434 -2.4661 -2.3784 -2.3538 -2.2860 -2.2644 -1.9220 -1.8256 -1.6482 -1.5554 -1.4147 -1.2908 -1.0475 -0.9532 0.5225 0.5268 0.6328 0.6363 0.9307 0.9321 3.4495 3.4831 3.7836 3.8127 4.4370 4.4661 5.1169 5.1469 5.7049 5.8293 6.1933 6.2267 6.5374 6.5493 6.9109 6.9368 k = 0.3944 0.6222 0.1463 ( 6858 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4327 -25.4327 -24.6164 -24.6163 -24.6093 -24.6093 -15.7148 -15.7134 -15.2860 -15.2414 -15.1444 -15.1080 -14.8346 -14.7840 -9.3436 -9.3318 -9.1468 -9.1321 -9.0746 -9.0536 -8.6886 -8.5859 -8.4795 -8.4532 -8.3731 -8.2862 -8.2603 -8.2351 -8.2175 -8.1957 -8.1241 -8.1105 -3.6722 -3.6280 -3.1227 -3.0431 -2.5486 -2.4654 -2.3790 -2.3508 -2.2911 -2.2702 -1.9233 -1.8198 -1.6395 -1.5441 -1.4212 -1.2879 -1.0509 -0.9503 0.5061 0.5104 0.6341 0.6379 0.9295 0.9309 3.4650 3.5014 3.8087 3.8408 4.4356 4.4643 5.1048 5.1365 5.6928 5.8265 6.1603 6.1936 6.5330 6.5462 6.9089 6.9369 k = 0.3856 0.6306 0.1585 ( 6864 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6157 -24.6156 -24.6099 -24.6099 -15.7154 -15.7141 -15.2865 -15.2398 -15.1437 -15.1059 -14.8351 -14.7827 -9.3447 -9.3319 -9.1472 -9.1315 -9.0782 -9.0561 -8.6944 -8.5897 -8.4809 -8.4514 -8.3745 -8.2831 -8.2591 -8.2353 -8.2174 -8.1979 -8.1260 -8.1131 -3.6648 -3.6170 -3.1161 -3.0311 -2.5544 -2.4659 -2.3800 -2.3479 -2.2955 -2.2758 -1.9249 -1.8147 -1.6296 -1.5329 -1.4276 -1.2854 -1.0542 -0.9478 0.4893 0.4938 0.6357 0.6398 0.9279 0.9294 3.4806 3.5200 3.8351 3.8702 4.4333 4.4609 5.0915 5.1247 5.6794 5.8213 6.1276 6.1599 6.5290 6.5434 6.9079 6.9383 k = 0.3856 0.6306 0.1585 ( 6864 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6157 -24.6156 -24.6099 -24.6099 -15.7154 -15.7141 -15.2865 -15.2398 -15.1437 -15.1059 -14.8351 -14.7827 -9.3447 -9.3319 -9.1472 -9.1315 -9.0782 -9.0561 -8.6944 -8.5897 -8.4809 -8.4514 -8.3745 -8.2831 -8.2591 -8.2353 -8.2174 -8.1979 -8.1260 -8.1131 -3.6648 -3.6170 -3.1161 -3.0311 -2.5544 -2.4659 -2.3800 -2.3479 -2.2955 -2.2758 -1.9249 -1.8147 -1.6296 -1.5329 -1.4276 -1.2854 -1.0542 -0.9478 0.4893 0.4938 0.6357 0.6398 0.9279 0.9294 3.4806 3.5200 3.8351 3.8702 4.4333 4.4609 5.0915 5.1247 5.6794 5.8213 6.1276 6.1599 6.5290 6.5434 6.9079 6.9383 k = 0.3702 0.6254 0.1661 ( 6862 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6153 -24.6153 -24.6103 -24.6103 -15.7157 -15.7144 -15.2866 -15.2388 -15.1433 -15.1049 -14.8349 -14.7817 -9.3459 -9.3323 -9.1483 -9.1310 -9.0802 -9.0575 -8.6972 -8.5917 -8.4837 -8.4504 -8.3760 -8.2814 -8.2598 -8.2343 -8.2166 -8.1989 -8.1283 -8.1135 -3.6605 -3.6102 -3.1117 -3.0231 -2.5590 -2.4663 -2.3804 -2.3434 -2.2972 -2.2790 -1.9254 -1.8138 -1.6263 -1.5234 -1.4290 -1.2822 -1.0550 -0.9459 0.4791 0.4836 0.6369 0.6413 0.9265 0.9279 3.4905 3.5323 3.8495 3.8885 4.4346 4.4585 5.0822 5.1163 5.6655 5.8156 6.1088 6.1393 6.5263 6.5417 6.8617 6.9275 k = 0.3548 0.6202 0.1736 ( 6854 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4329 -25.4329 -24.6150 -24.6149 -24.6107 -24.6107 -15.7158 -15.7145 -15.2865 -15.2376 -15.1427 -15.1039 -14.8346 -14.7808 -9.3473 -9.3329 -9.1495 -9.1307 -9.0820 -9.0589 -8.6992 -8.5931 -8.4873 -8.4497 -8.3780 -8.2799 -8.2611 -8.2338 -8.2155 -8.1996 -8.1312 -8.1135 -3.6551 -3.6025 -3.1067 -3.0147 -2.5633 -2.4668 -2.3811 -2.3386 -2.2986 -2.2819 -1.9260 -1.8129 -1.6215 -1.5149 -1.4290 -1.2790 -1.0555 -0.9442 0.4691 0.4736 0.6383 0.6429 0.9245 0.9260 3.5018 3.5460 3.8636 3.9067 4.4360 4.4574 5.0723 5.1072 5.6506 5.8066 6.0912 6.1197 6.5250 6.5407 6.8124 6.8968 k = 0.3394 0.6150 0.1811 ( 6858 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4329 -25.4329 -24.6147 -24.6146 -24.6110 -24.6110 -15.7158 -15.7145 -15.2865 -15.2369 -15.1421 -15.1031 -14.8341 -14.7801 -9.3488 -9.3336 -9.1510 -9.1305 -9.0838 -9.0603 -8.7005 -8.5940 -8.4916 -8.4494 -8.3803 -8.2786 -8.2630 -8.2337 -8.2144 -8.1999 -8.1347 -8.1134 -3.6491 -3.5943 -3.1018 -3.0062 -2.5682 -2.4682 -2.3824 -2.3341 -2.2996 -2.2844 -1.9270 -1.8123 -1.6154 -1.5078 -1.4279 -1.2762 -1.0558 -0.9428 0.4593 0.4638 0.6399 0.6447 0.9221 0.9236 3.5142 3.5609 3.8769 3.9249 4.4360 4.4550 5.0614 5.0973 5.6348 5.7946 6.0740 6.1017 6.5250 6.5403 6.7629 6.8603 k = 0.3239 0.6098 0.1886 ( 6856 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4330 -25.4330 -24.6144 -24.6143 -24.6113 -24.6113 -15.7157 -15.7143 -15.2863 -15.2363 -15.1413 -15.1023 -14.8334 -14.7795 -9.3504 -9.3346 -9.1525 -9.1305 -9.0853 -9.0618 -8.7011 -8.5943 -8.4966 -8.4496 -8.3829 -8.2778 -8.2652 -8.2338 -8.2135 -8.1995 -8.1386 -8.1132 -3.6423 -3.5854 -3.0964 -2.9973 -2.5727 -2.4697 -2.3840 -2.3299 -2.3002 -2.2860 -1.9280 -1.8116 -1.6082 -1.5019 -1.4254 -1.2734 -1.0559 -0.9418 0.4497 0.4543 0.6416 0.6466 0.9192 0.9207 3.5276 3.5770 3.8899 3.9430 4.4356 4.4542 5.0499 5.0869 5.6186 5.7803 6.0565 6.0860 6.5264 6.5405 6.7143 6.8225 k = 0.3085 0.6046 0.1961 ( 6856 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4331 -25.4331 -24.6141 -24.6140 -24.6115 -24.6115 -15.7154 -15.7140 -15.2861 -15.2360 -15.1404 -15.1016 -14.8326 -14.7790 -9.3522 -9.3356 -9.1542 -9.1307 -9.0867 -9.0631 -8.7011 -8.5939 -8.5022 -8.4503 -8.3855 -8.2781 -8.2672 -8.2340 -8.2131 -8.1985 -8.1427 -8.1132 -3.6350 -3.5762 -3.0908 -2.9885 -2.5774 -2.4717 -2.3860 -2.3265 -2.2999 -2.2867 -1.9292 -1.8110 -1.6000 -1.4974 -1.4217 -1.2710 -1.0558 -0.9412 0.4405 0.4450 0.6435 0.6487 0.9158 0.9174 3.5419 3.5941 3.9023 3.9610 4.4339 4.4537 5.0379 5.0761 5.6020 5.7640 6.0381 6.0729 6.5292 6.5407 6.6675 6.7850 k = 0.2931 0.5994 0.2037 ( 6855 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4332 -25.4332 -24.6139 -24.6138 -24.6117 -24.6117 -15.7151 -15.7136 -15.2856 -15.2357 -15.1392 -15.1010 -14.8315 -14.7786 -9.3540 -9.3369 -9.1560 -9.1311 -9.0878 -9.0645 -8.7005 -8.5930 -8.5083 -8.4517 -8.3882 -8.2801 -8.2683 -8.2343 -8.2132 -8.1968 -8.1470 -8.1132 -3.6270 -3.5664 -3.0849 -2.9796 -2.5818 -2.4740 -2.3884 -2.3247 -2.2985 -2.2862 -1.9303 -1.8103 -1.5910 -1.4938 -1.4170 -1.2690 -1.0555 -0.9410 0.4316 0.4361 0.6456 0.6509 0.9121 0.9137 3.5570 3.6120 3.9142 3.9791 4.4312 4.4543 5.0253 5.0649 5.5854 5.7463 6.0191 6.0623 6.5317 6.5407 6.6247 6.7487 k = 0.2777 0.5942 0.2112 ( 6854 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4333 -25.4333 -24.6138 -24.6137 -24.6118 -24.6118 -15.7147 -15.7132 -15.2853 -15.2357 -15.1381 -15.1004 -14.8304 -14.7783 -9.3559 -9.3383 -9.1578 -9.1318 -9.0886 -9.0657 -8.6993 -8.5914 -8.5149 -8.4536 -8.3907 -8.2836 -8.2684 -8.2346 -8.2137 -8.1948 -8.1514 -8.1134 -3.6183 -3.5565 -3.0788 -2.9707 -2.5860 -2.4768 -2.3911 -2.3249 -2.2958 -2.2846 -1.9315 -1.8095 -1.5813 -1.4911 -1.4116 -1.2674 -1.0550 -0.9412 0.4231 0.4276 0.6478 0.6533 0.9081 0.9097 3.5727 3.6306 3.9256 3.9971 4.4271 4.4554 5.0123 5.0530 5.5689 5.7276 6.0000 6.0536 6.5236 6.5444 6.5917 6.7146 k = 0.2622 0.5890 0.2187 ( 6859 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4334 -25.4334 -24.6137 -24.6137 -24.6118 -24.6118 -15.7142 -15.7126 -15.2850 -15.2360 -15.1368 -15.1001 -14.8291 -14.7782 -9.3579 -9.3399 -9.1596 -9.1328 -9.0891 -9.0669 -8.6976 -8.5893 -8.5219 -8.4561 -8.3929 -8.2882 -8.2682 -8.2349 -8.2145 -8.1925 -8.1558 -8.1137 -3.6095 -3.5465 -3.0727 -2.9623 -2.5903 -2.4803 -2.3941 -2.3264 -2.2923 -2.2819 -1.9326 -1.8089 -1.5711 -1.4889 -1.4059 -1.2665 -1.0543 -0.9419 0.4150 0.4194 0.6501 0.6557 0.9037 0.9055 3.5890 3.6499 3.9364 4.0151 4.4219 4.4561 4.9988 5.0409 5.5524 5.7079 5.9812 6.0466 6.4966 6.5521 6.5753 6.6842 k = 0.2468 0.5838 0.2262 ( 6845 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4336 -25.4336 -24.6138 -24.6137 -24.6118 -24.6118 -15.7135 -15.7120 -15.2840 -15.2360 -15.1352 -15.0995 -14.8276 -14.7782 -9.3599 -9.3416 -9.1614 -9.1340 -9.0893 -9.0679 -8.6955 -8.5866 -8.5292 -8.4592 -8.3948 -8.2935 -8.2679 -8.2351 -8.2156 -8.1902 -8.1600 -8.1141 -3.5996 -3.5361 -3.0657 -2.9537 -2.5933 -2.4836 -2.3967 -2.3283 -2.2884 -2.2780 -1.9328 -1.8078 -1.5606 -1.4865 -1.3999 -1.2659 -1.0534 -0.9430 0.4075 0.4117 0.6526 0.6584 0.8992 0.9010 3.6059 3.6696 3.9474 4.0332 4.4175 4.4584 4.9855 5.0289 5.5365 5.6880 5.9632 6.0412 6.4592 6.5588 6.5701 6.6610 k = 0.2314 0.5785 0.2337 ( 6844 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4337 -25.4337 -24.6138 -24.6138 -24.6117 -24.6117 -15.7129 -15.7113 -15.2832 -15.2366 -15.1337 -15.0993 -14.8260 -14.7783 -9.3619 -9.3434 -9.1631 -9.1354 -9.0892 -9.0689 -8.6930 -8.5834 -8.5368 -8.4628 -8.3965 -8.2992 -8.2678 -8.2352 -8.2170 -8.1879 -8.1639 -8.1148 -3.5897 -3.5261 -3.0592 -2.9460 -2.5965 -2.4878 -2.3995 -2.3310 -2.2845 -2.2733 -1.9329 -1.8072 -1.5499 -1.4843 -1.3941 -1.2661 -1.0523 -0.9446 0.4003 0.4045 0.6552 0.6610 0.8945 0.8964 3.6230 3.6894 3.9577 4.0512 4.4110 4.4593 4.9717 5.0164 5.5207 5.6674 5.9461 6.0372 6.4188 6.5491 6.5790 6.6490 k = 0.2160 0.5733 0.2413 ( 6834 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4338 -25.4338 -24.6139 -24.6138 -24.6116 -24.6115 -15.7121 -15.7106 -15.2821 -15.2371 -15.1320 -15.0991 -14.8242 -14.7785 -9.3638 -9.3454 -9.1646 -9.1370 -9.0889 -9.0698 -8.6901 -8.5797 -8.5444 -8.4667 -8.3978 -8.3054 -8.2679 -8.2353 -8.2185 -8.1861 -8.1672 -8.1156 -3.5794 -3.5160 -3.0521 -2.9386 -2.5990 -2.4923 -2.4019 -2.3339 -2.2806 -2.2682 -1.9322 -1.8066 -1.5393 -1.4818 -1.3884 -1.2669 -1.0510 -0.9466 0.3937 0.3977 0.6580 0.6638 0.8896 0.8916 3.6404 3.7093 3.9682 4.0693 4.4047 4.4603 4.9580 5.0040 5.5055 5.6468 5.9304 6.0345 6.3787 6.5284 6.5938 6.6490 k = 0.2005 0.5681 0.2488 ( 6836 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4339 -25.4339 -24.6140 -24.6139 -24.6114 -24.6114 -15.7114 -15.7099 -15.2811 -15.2381 -15.1303 -15.0990 -14.8224 -14.7789 -9.3657 -9.3474 -9.1661 -9.1388 -9.0884 -9.0706 -8.6870 -8.5758 -8.5519 -8.4707 -8.3989 -8.3118 -8.2681 -8.2355 -8.2202 -8.1852 -8.1693 -8.1165 -3.5694 -3.5065 -3.0452 -2.9323 -2.6013 -2.4974 -2.4040 -2.3372 -2.2768 -2.2630 -1.9313 -1.8065 -1.5288 -1.4790 -1.3833 -1.2686 -1.0496 -0.9491 0.3875 0.3913 0.6607 0.6666 0.8846 0.8867 3.6577 3.7289 3.9783 4.0872 4.3971 4.4600 4.9442 4.9912 5.4908 5.6261 5.9163 6.0329 6.3394 6.5024 6.6111 6.6573 k = 0.1851 0.5629 0.2563 ( 6836 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4341 -25.4341 -24.6141 -24.6140 -24.6113 -24.6113 -15.7106 -15.7091 -15.2800 -15.2393 -15.1286 -15.0992 -14.8206 -14.7794 -9.3674 -9.3496 -9.1673 -9.1408 -9.0877 -9.0714 -8.6837 -8.5723 -8.5587 -8.4748 -8.3999 -8.3184 -8.2685 -8.2360 -8.2218 -8.1856 -8.1699 -8.1176 -3.5592 -3.4975 -3.0381 -2.9267 -2.6031 -2.5029 -2.4057 -2.3406 -2.2729 -2.2579 -1.9295 -1.8068 -1.5188 -1.4756 -1.3785 -1.2710 -1.0479 -0.9520 0.3818 0.3855 0.6636 0.6694 0.8797 0.8818 3.6750 3.7480 3.9886 4.1050 4.3890 4.4592 4.9306 4.9784 5.4769 5.6055 5.9039 6.0324 6.3019 6.4745 6.6305 6.6709 k = 0.1697 0.5577 0.2638 ( 6832 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4342 -25.4342 -24.6141 -24.6141 -24.6112 -24.6112 -15.7099 -15.7084 -15.2786 -15.2404 -15.1268 -15.0993 -14.8186 -14.7801 -9.3691 -9.3517 -9.1684 -9.1428 -9.0869 -9.0720 -8.6802 -8.5724 -8.5614 -8.4787 -8.4007 -8.3252 -8.2691 -8.2371 -8.2230 -8.1872 -8.1689 -8.1189 -3.5489 -3.4889 -3.0307 -2.9218 -2.6041 -2.5087 -2.4069 -2.3440 -2.2689 -2.2531 -1.9267 -1.8074 -1.5094 -1.4714 -1.3742 -1.2740 -1.0459 -0.9553 0.3767 0.3801 0.6665 0.6721 0.8748 0.8770 3.6924 3.7664 3.9994 4.1227 4.3806 4.4579 4.9175 4.9659 5.4640 5.5854 5.8936 6.0327 6.2666 6.4461 6.6518 6.6877 k = 0.1543 0.5525 0.2713 ( 6840 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4343 -25.4343 -24.6142 -24.6142 -24.6111 -24.6110 -15.7091 -15.7077 -15.2775 -15.2422 -15.1250 -15.0997 -14.8166 -14.7809 -9.3705 -9.3540 -9.1692 -9.1449 -9.0860 -9.0726 -8.6766 -8.5781 -8.5580 -8.4824 -8.4014 -8.3321 -8.2698 -8.2391 -8.2236 -8.1894 -8.1670 -8.1203 -3.5390 -3.4814 -3.0236 -2.9185 -2.6050 -2.5151 -2.4076 -2.3477 -2.2652 -2.2489 -1.9237 -1.8090 -1.5007 -1.4667 -1.3705 -1.2778 -1.0438 -0.9590 0.3720 0.3752 0.6693 0.6748 0.8700 0.8722 3.7091 3.7835 4.0102 4.1399 4.3708 4.4550 4.9047 4.9528 5.4519 5.5655 5.8854 6.0333 6.2337 6.4180 6.6747 6.7070 k = 0.1388 0.5473 0.2789 ( 6832 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4344 -25.4344 -24.6143 -24.6143 -24.6110 -24.6109 -15.7084 -15.7070 -15.2760 -15.2435 -15.1231 -15.0999 -14.8144 -14.7818 -9.3718 -9.3562 -9.1698 -9.1470 -9.0850 -9.0732 -8.6730 -8.5852 -8.5530 -8.4857 -8.4020 -8.3391 -8.2705 -8.2417 -8.2234 -8.1918 -8.1646 -8.1218 -3.5287 -3.4744 -3.0157 -2.9158 -2.6049 -2.5214 -2.4076 -2.3513 -2.2613 -2.2449 -1.9195 -1.8108 -1.4926 -1.4610 -1.3671 -1.2820 -1.0412 -0.9629 0.3679 0.3708 0.6722 0.6775 0.8654 0.8676 3.7257 3.7991 4.0222 4.1566 4.3616 4.4516 4.8933 4.9402 5.4414 5.5466 5.8796 6.0336 6.2046 6.3907 6.6989 6.7280 k = 0.1234 0.5421 0.2864 ( 6832 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4345 -25.4345 -24.6143 -24.6143 -24.6109 -24.6108 -15.7076 -15.7064 -15.2745 -15.2452 -15.1213 -15.1005 -14.8123 -14.7829 -9.3728 -9.3584 -9.1701 -9.1492 -9.0841 -9.0737 -8.6694 -8.5923 -8.5474 -8.4886 -8.4025 -8.3460 -8.2711 -8.2449 -8.2228 -8.1943 -8.1620 -8.1235 -3.5190 -3.4686 -3.0078 -2.9145 -2.6043 -2.5281 -2.4070 -2.3551 -2.2576 -2.2416 -1.9147 -1.8134 -1.4852 -1.4550 -1.3642 -1.2869 -1.0384 -0.9672 0.3642 0.3668 0.6750 0.6800 0.8610 0.8632 3.7417 3.8128 4.0350 4.1724 4.3522 4.4468 4.8827 4.9279 5.4322 5.5282 5.8760 6.0325 6.1799 6.3641 6.7240 6.7501 k = 0.1080 0.5369 0.2939 ( 6836 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4346 -25.4346 -24.6144 -24.6144 -24.6108 -24.6108 -15.7070 -15.7058 -15.2731 -15.2471 -15.1195 -15.1011 -14.8102 -14.7841 -9.3736 -9.3606 -9.1702 -9.1513 -9.0831 -9.0741 -8.6658 -8.5993 -8.5417 -8.4911 -8.4029 -8.3529 -8.2717 -8.2484 -8.2218 -8.1966 -8.1593 -8.1252 -3.5099 -3.4639 -3.0001 -2.9147 -2.6031 -2.5348 -2.4058 -2.3589 -2.2540 -2.2389 -1.9094 -1.8170 -1.4784 -1.4492 -1.3616 -1.2922 -1.0353 -0.9717 0.3610 0.3633 0.6777 0.6823 0.8569 0.8590 3.7570 3.8243 4.0485 4.1864 4.3431 4.4405 4.8733 4.9158 5.4244 5.5106 5.8746 6.0287 6.1609 6.3385 6.7495 6.7726 k = 0.0926 0.5317 0.3014 ( 6832 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4347 -25.4347 -24.6144 -24.6144 -24.6107 -24.6107 -15.7063 -15.7053 -15.2714 -15.2488 -15.1177 -15.1018 -14.8080 -14.7854 -9.3742 -9.3626 -9.1701 -9.1534 -9.0822 -9.0746 -8.6622 -8.6060 -8.5360 -8.4934 -8.4030 -8.3597 -8.2721 -8.2520 -8.2206 -8.1989 -8.1566 -8.1271 -3.5007 -3.4600 -2.9918 -2.9158 -2.6011 -2.5415 -2.4041 -2.3627 -2.2505 -2.2368 -1.9030 -1.8209 -1.4719 -1.4437 -1.3590 -1.2979 -1.0318 -0.9763 0.3582 0.3603 0.6802 0.6844 0.8533 0.8552 3.7718 3.8334 4.0636 4.1980 4.3359 4.4333 4.8655 4.9045 5.4187 5.4941 5.8757 6.0207 6.1495 6.3141 6.7748 6.7948 k = 0.0771 0.5265 0.3089 ( 6833 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4348 -25.4348 -24.6145 -24.6144 -24.6107 -24.6106 -15.7058 -15.7049 -15.2699 -15.2507 -15.1160 -15.1026 -14.8058 -14.7868 -9.3745 -9.3646 -9.1697 -9.1555 -9.0813 -9.0750 -8.6586 -8.6124 -8.5304 -8.4954 -8.4028 -8.3663 -8.2723 -8.2555 -8.2192 -8.2011 -8.1538 -8.1291 -3.4924 -3.4576 -2.9839 -2.9183 -2.5987 -2.5482 -2.4019 -2.3667 -2.2474 -2.2354 -1.8965 -1.8258 -1.4656 -1.4393 -1.3563 -1.3039 -1.0281 -0.9812 0.3560 0.3577 0.6825 0.6862 0.8501 0.8518 3.7855 3.8400 4.0795 4.2053 4.3312 4.4246 4.8593 4.8932 5.4146 5.4788 5.8791 6.0084 6.1454 6.2906 6.7990 6.8160 k = 0.0617 0.5213 0.3165 ( 6829 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4348 -25.4348 -24.6145 -24.6145 -24.6106 -24.6106 -15.7053 -15.7045 -15.2679 -15.2524 -15.1143 -15.1035 -14.8037 -14.7883 -9.3746 -9.3665 -9.1691 -9.1575 -9.0804 -9.0755 -8.6549 -8.6184 -8.5250 -8.4973 -8.4021 -8.3726 -8.2723 -8.2588 -8.2177 -8.2031 -8.1511 -8.1312 -3.4845 -3.4559 -2.9754 -2.9216 -2.5955 -2.5546 -2.3993 -2.3705 -2.2444 -2.2343 -1.8891 -1.8311 -1.4594 -1.4361 -1.3531 -1.3101 -1.0241 -0.9861 0.3542 0.3555 0.6846 0.6877 0.8474 0.8488 3.7984 3.8440 4.0967 4.2078 4.3310 4.4149 4.8551 4.8837 5.4126 5.4648 5.8847 5.9931 6.1478 6.2686 6.8212 6.8351 k = 0.0463 0.5160 0.3240 ( 6837 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4349 -25.4349 -24.6145 -24.6145 -24.6106 -24.6106 -15.7049 -15.7043 -15.2664 -15.2547 -15.1127 -15.1047 -14.8016 -14.7900 -9.3744 -9.3682 -9.1683 -9.1595 -9.0796 -9.0760 -8.6512 -8.6241 -8.5200 -8.4994 -8.4009 -8.3785 -8.2719 -8.2618 -8.2161 -8.2052 -8.1484 -8.1335 -3.4780 -3.4559 -2.9677 -2.9265 -2.5921 -2.5611 -2.3965 -2.3746 -2.2419 -2.2342 -1.8821 -1.8376 -1.4536 -1.4347 -1.3495 -1.3165 -1.0200 -0.9912 0.3528 0.3538 0.6864 0.6887 0.8452 0.8464 3.8098 3.8453 4.1137 4.2034 4.3353 4.4038 4.8522 4.8745 5.4122 5.4519 5.8923 5.9761 6.1547 6.2475 6.8404 6.8511 k = 0.0309 0.5108 0.3315 ( 6838 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4349 -25.4349 -24.6145 -24.6145 -24.6106 -24.6105 -15.7045 -15.7042 -15.2645 -15.2567 -15.1111 -15.1058 -14.7995 -14.7917 -9.3740 -9.3698 -9.1672 -9.1613 -9.0789 -9.0765 -8.6473 -8.6294 -8.5153 -8.5016 -8.3990 -8.3839 -8.2712 -8.2645 -8.2144 -8.2071 -8.1457 -8.1357 -3.4719 -3.4568 -2.9598 -2.9320 -2.5880 -2.5672 -2.3932 -2.3785 -2.2396 -2.2343 -1.8743 -1.8443 -1.4482 -1.4347 -1.3452 -1.3228 -1.0155 -0.9962 0.3519 0.3526 0.6878 0.6894 0.8437 0.8445 3.8201 3.8442 4.1315 4.1943 4.3437 4.3920 4.8512 4.8668 5.4141 5.4408 5.9022 5.9591 6.1650 6.2279 6.8557 6.8629 k = 0.0154 0.5056 0.3390 ( 6840 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4349 -25.4349 -24.6145 -24.6145 -24.6105 -24.6105 -15.7043 -15.7041 -15.2626 -15.2587 -15.1097 -15.1070 -14.7974 -14.7936 -9.3733 -9.3712 -9.1660 -9.1630 -9.0782 -9.0770 -8.6432 -8.6343 -8.5111 -8.5043 -8.3963 -8.3887 -8.2701 -8.2668 -8.2126 -8.2090 -8.1431 -8.1381 -3.4666 -3.4590 -2.9522 -2.9381 -2.5834 -2.5729 -2.3897 -2.3823 -2.2376 -2.2349 -1.8666 -1.8515 -1.4433 -1.4363 -1.3402 -1.3289 -1.0109 -1.0012 0.3514 0.3517 0.6889 0.6897 0.8429 0.8433 3.8288 3.8411 4.1492 4.1814 4.3547 4.3795 4.8526 4.8604 5.4179 5.4314 5.9140 5.9427 6.1779 6.2096 6.8661 6.8697 k = 0.0000 0.5004 0.3466 ( 6846 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4350 -25.4350 -24.6145 -24.6145 -24.6105 -24.6105 -15.7042 -15.7042 -15.2608 -15.2608 -15.1084 -15.1084 -14.7955 -14.7955 -9.3723 -9.3723 -9.1646 -9.1646 -9.0776 -9.0776 -8.6389 -8.6389 -8.5075 -8.5075 -8.3929 -8.3929 -8.2686 -8.2686 -8.2109 -8.2109 -8.1406 -8.1406 -3.4626 -3.4626 -2.9451 -2.9451 -2.5785 -2.5785 -2.3862 -2.3862 -2.2362 -2.2362 -1.8591 -1.8591 -1.4393 -1.4393 -1.3348 -1.3348 -1.0061 -1.0061 0.3513 0.3513 0.6895 0.6895 0.8428 0.8428 3.8357 3.8357 4.1657 4.1657 4.3669 4.3669 4.8552 4.8552 5.4237 5.4237 5.9275 5.9275 6.1929 6.1929 6.8708 6.8708 k = 0.0000 0.5004 0.3466 ( 6846 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4350 -25.4350 -24.6145 -24.6145 -24.6105 -24.6105 -15.7042 -15.7042 -15.2608 -15.2608 -15.1084 -15.1084 -14.7955 -14.7955 -9.3723 -9.3723 -9.1646 -9.1646 -9.0776 -9.0776 -8.6389 -8.6389 -8.5075 -8.5075 -8.3929 -8.3929 -8.2686 -8.2686 -8.2109 -8.2109 -8.1406 -8.1406 -3.4626 -3.4626 -2.9451 -2.9451 -2.5785 -2.5785 -2.3862 -2.3862 -2.2362 -2.2362 -1.8591 -1.8591 -1.4393 -1.4393 -1.3348 -1.3348 -1.0061 -1.0061 0.3513 0.3513 0.6895 0.6895 0.8428 0.8428 3.8357 3.8357 4.1657 4.1657 4.3669 4.3669 4.8552 4.8552 5.4237 5.4237 5.9275 5.9275 6.1929 6.1929 6.8708 6.8708 k = 0.0093 0.4915 0.3594 ( 6844 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4349 -25.4349 -24.6145 -24.6145 -24.6105 -24.6105 -15.7043 -15.7042 -15.2618 -15.2599 -15.1090 -15.1076 -14.7963 -14.7946 -9.3727 -9.3719 -9.1650 -9.1641 -9.0778 -9.0775 -8.6403 -8.6371 -8.5094 -8.5057 -8.3956 -8.3900 -8.2700 -8.2675 -8.2117 -8.2101 -8.1413 -8.1402 -3.4637 -3.4609 -2.9480 -2.9414 -2.5798 -2.5767 -2.3889 -2.3835 -2.2368 -2.2352 -1.8635 -1.8548 -1.4419 -1.4373 -1.3354 -1.3345 -1.0095 -1.0039 0.3511 0.3524 0.6887 0.6890 0.8427 0.8431 3.8356 3.8379 4.1630 4.1696 4.3665 4.3676 4.8511 4.8598 5.4234 5.4246 5.9262 5.9298 6.1861 6.1993 6.8694 6.8720 k = 0.0185 0.4826 0.3722 ( 6840 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4349 -25.4349 -24.6145 -24.6145 -24.6106 -24.6106 -15.7045 -15.7043 -15.2627 -15.2589 -15.1095 -15.1068 -14.7971 -14.7937 -9.3729 -9.3714 -9.1654 -9.1636 -9.0783 -9.0778 -8.6412 -8.6347 -8.5114 -8.5041 -8.3981 -8.3868 -8.2715 -8.2665 -8.2126 -8.2095 -8.1422 -8.1401 -3.4644 -3.4587 -2.9503 -2.9371 -2.5808 -2.5746 -2.3915 -2.3809 -2.2368 -2.2336 -1.8682 -1.8507 -1.4452 -1.4360 -1.3362 -1.3345 -1.0139 -1.0029 0.3516 0.3542 0.6867 0.6872 0.8428 0.8437 3.8376 3.8423 4.1617 4.1749 4.3665 4.3687 4.8474 4.8647 5.4236 5.4261 5.9261 5.9333 6.1790 6.2055 6.8678 6.8729 k = 0.0278 0.4738 0.3851 ( 6848 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4349 -25.4349 -24.6145 -24.6145 -24.6106 -24.6106 -15.7049 -15.7046 -15.2638 -15.2583 -15.1100 -15.1060 -14.7979 -14.7929 -9.3731 -9.3709 -9.1657 -9.1631 -9.0791 -9.0782 -8.6416 -8.6319 -8.5134 -8.5026 -8.4002 -8.3835 -8.2731 -8.2658 -8.2136 -8.2091 -8.1435 -8.1404 -3.4648 -3.4564 -2.9522 -2.9326 -2.5816 -2.5723 -2.3941 -2.3785 -2.2365 -2.2317 -1.8731 -1.8470 -1.4492 -1.4355 -1.3374 -1.3348 -1.0194 -1.0032 0.3530 0.3568 0.6835 0.6842 0.8432 0.8444 3.8415 3.8485 4.1614 4.1810 4.3669 4.3701 4.8436 4.8692 5.4242 5.4281 5.9269 5.9376 6.1718 6.2112 6.8660 6.8736 k = 0.0370 0.4649 0.3979 ( 6846 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4348 -25.4348 -24.6145 -24.6145 -24.6107 -24.6107 -15.7054 -15.7049 -15.2647 -15.2574 -15.1103 -15.1050 -14.7986 -14.7920 -9.3731 -9.3702 -9.1659 -9.1625 -9.0801 -9.0789 -8.6415 -8.6287 -8.5155 -8.5014 -8.4020 -8.3800 -8.2748 -8.2654 -8.2147 -8.2088 -8.1450 -8.1409 -3.4643 -3.4533 -2.9530 -2.9271 -2.5818 -2.5695 -2.3965 -2.3761 -2.2357 -2.2296 -1.8778 -1.8433 -1.4537 -1.4353 -1.3387 -1.3354 -1.0257 -1.0046 0.3552 0.3601 0.6792 0.6801 0.8437 0.8454 3.8474 3.8568 4.1626 4.1884 4.3676 4.3721 4.8404 4.8739 5.4257 5.4311 5.9289 5.9430 6.1647 6.2168 6.8639 6.8738 k = 0.0463 0.4560 0.4107 ( 6838 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4348 -25.4348 -24.6145 -24.6144 -24.6108 -24.6107 -15.7059 -15.7054 -15.2652 -15.2565 -15.1103 -15.1040 -14.7992 -14.7911 -9.3731 -9.3696 -9.1661 -9.1619 -9.0813 -9.0799 -8.6409 -8.6250 -8.5176 -8.5003 -8.4034 -8.3765 -8.2766 -8.2653 -8.2158 -8.2087 -8.1466 -8.1418 -3.4633 -3.4495 -2.9530 -2.9208 -2.5816 -2.5661 -2.3988 -2.3737 -2.2342 -2.2269 -1.8821 -1.8398 -1.4586 -1.4359 -1.3401 -1.3362 -1.0329 -1.0074 0.3582 0.3642 0.6737 0.6748 0.8445 0.8465 3.8556 3.8672 4.1653 4.1973 4.3686 4.3744 4.8381 4.8789 5.4280 5.4349 5.9317 5.9491 6.1579 6.2222 6.8615 6.8737 k = 0.0556 0.4471 0.4236 ( 6844 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4347 -25.4347 -24.6144 -24.6144 -24.6109 -24.6108 -15.7066 -15.7060 -15.2663 -15.2560 -15.1105 -15.1030 -14.7998 -14.7903 -9.3730 -9.3689 -9.1662 -9.1614 -9.0827 -9.0810 -8.6398 -8.6209 -8.5197 -8.4995 -8.4046 -8.3729 -8.2784 -8.2656 -8.2169 -8.2089 -8.1485 -8.1429 -3.4625 -3.4462 -2.9530 -2.9150 -2.5814 -2.5625 -2.4011 -2.3717 -2.2326 -2.2242 -1.8869 -1.8371 -1.4641 -1.4373 -1.3417 -1.3374 -1.0410 -1.0114 0.3620 0.3689 0.6671 0.6684 0.8453 0.8476 3.8652 3.8791 4.1684 4.2062 4.3699 4.3771 4.8356 4.8832 5.4306 5.4391 5.9352 5.9557 6.1517 6.2274 6.8586 6.8728 k = 0.0648 0.4382 0.4364 ( 6842 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4346 -25.4346 -24.6144 -24.6144 -24.6110 -24.6109 -15.7074 -15.7067 -15.2669 -15.2553 -15.1104 -15.1020 -14.8003 -14.7896 -9.3728 -9.3681 -9.1662 -9.1608 -9.0843 -9.0822 -8.6383 -8.6165 -8.5217 -8.4988 -8.4053 -8.3693 -8.2803 -8.2662 -8.2181 -8.2093 -8.1504 -8.1443 -3.4605 -3.4420 -2.9518 -2.9083 -2.5807 -2.5585 -2.4031 -2.3697 -2.2304 -2.2212 -1.8910 -1.8342 -1.4700 -1.4392 -1.3434 -1.3388 -1.0496 -1.0167 0.3666 0.3742 0.6596 0.6611 0.8462 0.8488 3.8769 3.8931 4.1733 4.2164 4.3715 4.3802 4.8339 4.8877 5.4342 5.4443 5.9392 5.9626 6.1467 6.2328 6.8552 6.8713 k = 0.0741 0.4293 0.4492 ( 6838 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4345 -25.4345 -24.6144 -24.6143 -24.6111 -24.6111 -15.7082 -15.7075 -15.2675 -15.2548 -15.1101 -15.1009 -14.8007 -14.7889 -9.3725 -9.3673 -9.1661 -9.1603 -9.0861 -9.0837 -8.6363 -8.6117 -8.5237 -8.4983 -8.4058 -8.3656 -8.2821 -8.2672 -8.2194 -8.2099 -8.1524 -8.1458 -3.4582 -3.4375 -2.9501 -2.9015 -2.5796 -2.5541 -2.4049 -2.3679 -2.2281 -2.2181 -1.8949 -1.8319 -1.4762 -1.4418 -1.3451 -1.3403 -1.0587 -1.0231 0.3720 0.3803 0.6512 0.6529 0.8471 0.8499 3.8903 3.9085 4.1790 4.2271 4.3733 4.3838 4.8327 4.8917 5.4387 5.4505 5.9434 5.9695 6.1435 6.2385 6.8510 6.8687 k = 0.0833 0.4204 0.4621 ( 6846 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4344 -25.4344 -24.6143 -24.6143 -24.6112 -24.6112 -15.7092 -15.7084 -15.2684 -15.2547 -15.1099 -15.1000 -14.8010 -14.7883 -9.3721 -9.3665 -9.1660 -9.1599 -9.0880 -9.0852 -8.6339 -8.6066 -8.5256 -8.4979 -8.4059 -8.3621 -8.2841 -8.2686 -8.2207 -8.2110 -8.1544 -8.1475 -3.4560 -3.4333 -2.9485 -2.8952 -2.5784 -2.5497 -2.4069 -2.3665 -2.2257 -2.2152 -1.8989 -1.8302 -1.4829 -1.4451 -1.3469 -1.3421 -1.0685 -1.0307 0.3781 0.3868 0.6420 0.6438 0.8480 0.8510 3.9047 3.9251 4.1850 4.2374 4.3753 4.3877 4.8315 4.8949 5.4436 5.4574 5.9470 5.9760 6.1427 6.2445 6.8457 6.8649 k = 0.0926 0.4115 0.4749 ( 6834 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4343 -25.4343 -24.6143 -24.6142 -24.6114 -24.6113 -15.7101 -15.7093 -15.2684 -15.2540 -15.1093 -15.0989 -14.8012 -14.7877 -9.3716 -9.3657 -9.1658 -9.1595 -9.0900 -9.0868 -8.6311 -8.6012 -8.5275 -8.4976 -8.4056 -8.3586 -8.2860 -8.2703 -8.2221 -8.2123 -8.1563 -8.1493 -3.4522 -3.4278 -2.9453 -2.8876 -2.5764 -2.5444 -2.4082 -2.3649 -2.2228 -2.2118 -1.9017 -1.8282 -1.4894 -1.4485 -1.3486 -1.3439 -1.0784 -1.0392 0.3849 0.3939 0.6322 0.6342 0.8488 0.8520 3.9211 3.9434 4.1932 4.2491 4.3776 4.3922 4.8318 4.8985 5.4502 5.4657 5.9497 5.9828 6.1453 6.2515 6.8391 6.8596 k = 0.1019 0.4026 0.4877 ( 6842 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4342 -25.4342 -24.6142 -24.6142 -24.6115 -24.6115 -15.7112 -15.7103 -15.2691 -15.2543 -15.1088 -15.0980 -14.8013 -14.7873 -9.3710 -9.3649 -9.1656 -9.1593 -9.0921 -9.0884 -8.6279 -8.5955 -8.5293 -8.4973 -8.4051 -8.3552 -8.2880 -8.2724 -8.2238 -8.2141 -8.1580 -8.1512 -3.4491 -3.4233 -2.9428 -2.8813 -2.5745 -2.5393 -2.4098 -2.3638 -2.2205 -2.2090 -1.9046 -1.8273 -1.4964 -1.4529 -1.3503 -1.3458 -1.0886 -1.0488 0.3923 0.4015 0.6219 0.6240 0.8494 0.8528 3.9378 3.9623 4.2007 4.2598 4.3800 4.3969 4.8313 4.9006 5.4575 5.4746 5.9502 5.9892 6.1515 6.2591 6.8308 6.8524 k = 0.1111 0.3938 0.5006 ( 6840 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4341 -25.4341 -24.6142 -24.6141 -24.6117 -24.6116 -15.7122 -15.7113 -15.2693 -15.2543 -15.1081 -15.0970 -14.8013 -14.7869 -9.3704 -9.3641 -9.1653 -9.1591 -9.0943 -9.0901 -8.6244 -8.5896 -8.5311 -8.4971 -8.4043 -8.3520 -8.2900 -8.2746 -8.2256 -8.2164 -8.1596 -8.1530 -3.4452 -3.4180 -2.9395 -2.8748 -2.5719 -2.5338 -2.4112 -2.3627 -2.2181 -2.2058 -1.9066 -1.8264 -1.5031 -1.4575 -1.3519 -1.3477 -1.0990 -1.0591 0.4002 0.4095 0.6113 0.6134 0.8499 0.8533 3.9560 3.9821 4.2092 4.2707 4.3826 4.4021 4.8317 4.9025 5.4662 5.4847 5.9484 5.9962 6.1617 6.2680 6.8205 6.8431 k = 0.1204 0.3849 0.5134 ( 6840 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4340 -25.4339 -24.6141 -24.6141 -24.6118 -24.6118 -15.7133 -15.7124 -15.2695 -15.2544 -15.1073 -15.0962 -14.8012 -14.7867 -9.3697 -9.3633 -9.1649 -9.1590 -9.0965 -9.0918 -8.6206 -8.5835 -8.5328 -8.4968 -8.4032 -8.3489 -8.2920 -8.2770 -8.2277 -8.2191 -8.1609 -8.1548 -3.4409 -3.4128 -2.9358 -2.8688 -2.5690 -2.5282 -2.4125 -2.3618 -2.2161 -2.2028 -1.9081 -1.8257 -1.5099 -1.4625 -1.3535 -1.3496 -1.1093 -1.0700 0.4085 0.4178 0.6005 0.6026 0.8501 0.8536 3.9748 4.0025 4.2183 4.2813 4.3853 4.4074 4.8325 4.9038 5.4761 5.4957 5.9441 6.0037 6.1757 6.2784 6.8077 6.8314 k = 0.1296 0.3760 0.5262 ( 6840 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4338 -25.4338 -24.6141 -24.6140 -24.6120 -24.6120 -15.7143 -15.7135 -15.2695 -15.2547 -15.1064 -15.0953 -14.8010 -14.7866 -9.3690 -9.3625 -9.1646 -9.1590 -9.0987 -9.0934 -8.6165 -8.5773 -8.5345 -8.4965 -8.4019 -8.3460 -8.2940 -8.2795 -8.2302 -8.2222 -8.1620 -8.1564 -3.4363 -3.4074 -2.9319 -2.8632 -2.5656 -2.5224 -2.4137 -2.3610 -2.2145 -2.1997 -1.9089 -1.8254 -1.5165 -1.4679 -1.3550 -1.3514 -1.1195 -1.0815 0.4171 0.4262 0.5895 0.5917 0.8501 0.8536 3.9941 4.0233 4.2276 4.2915 4.3882 4.4130 4.8335 4.9045 5.4876 5.5077 5.9379 6.0116 6.1931 6.2903 6.7921 6.8172 k = 0.1389 0.3671 0.5391 ( 6830 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4337 -25.4337 -24.6140 -24.6140 -24.6121 -24.6121 -15.7154 -15.7145 -15.2691 -15.2545 -15.1054 -15.0945 -14.8006 -14.7865 -9.3681 -9.3617 -9.1642 -9.1591 -9.1008 -9.0950 -8.6123 -8.5711 -8.5361 -8.4962 -8.4002 -8.3434 -8.2960 -8.2820 -8.2331 -8.2258 -8.1629 -8.1578 -3.4308 -3.4017 -2.9272 -2.8575 -2.5617 -2.5165 -2.4148 -2.3602 -2.2131 -2.1964 -1.9086 -1.8250 -1.5227 -1.4734 -1.3564 -1.3531 -1.1295 -1.0932 0.4260 0.4348 0.5787 0.5809 0.8499 0.8534 4.0144 4.0446 4.2377 4.3015 4.3914 4.4188 4.8348 4.9047 5.5010 5.5211 5.9305 6.0198 6.2135 6.3040 6.7736 6.8006 k = 0.1481 0.3582 0.5519 ( 6830 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4336 -25.4336 -24.6140 -24.6139 -24.6123 -24.6123 -15.7164 -15.7156 -15.2689 -15.2550 -15.1044 -15.0938 -14.8003 -14.7867 -9.3673 -9.3610 -9.1639 -9.1593 -9.1028 -9.0967 -8.6079 -8.5649 -8.5376 -8.4958 -8.3983 -8.3412 -8.2978 -8.2844 -8.2363 -8.2297 -8.1635 -8.1591 -3.4257 -3.3964 -2.9231 -2.8532 -2.5575 -2.5109 -2.4161 -2.3597 -2.2127 -2.1934 -1.9080 -1.8253 -1.5288 -1.4793 -1.3577 -1.3547 -1.1392 -1.1053 0.4348 0.4434 0.5682 0.5703 0.8494 0.8528 4.0342 4.0652 4.2471 4.3104 4.3946 4.4242 4.8360 4.9040 5.5152 5.5350 5.9222 6.0278 6.2364 6.3195 6.7519 6.7816 k = 0.1574 0.3493 0.5648 ( 6834 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4335 -25.4335 -24.6139 -24.6138 -24.6125 -24.6124 -15.7174 -15.7166 -15.2688 -15.2557 -15.1034 -15.0933 -14.7999 -14.7869 -9.3664 -9.3603 -9.1635 -9.1596 -9.1047 -9.0982 -8.6035 -8.5590 -8.5389 -8.4953 -8.3962 -8.3394 -8.2995 -8.2866 -8.2400 -8.2339 -8.1639 -8.1601 -3.4207 -3.3916 -2.9194 -2.8499 -2.5529 -2.5054 -2.4174 -2.3593 -2.2129 -2.1906 -1.9069 -1.8259 -1.5344 -1.4854 -1.3589 -1.3562 -1.1486 -1.1173 0.4436 0.4517 0.5580 0.5601 0.8487 0.8519 4.0536 4.0850 4.2562 4.3183 4.3977 4.4291 4.8371 4.9027 5.5305 5.5495 5.9136 6.0353 6.2616 6.3367 6.7272 6.7606 k = 0.1667 0.3404 0.5776 ( 6832 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4334 -25.4333 -24.6138 -24.6138 -24.6126 -24.6126 -15.7183 -15.7176 -15.2685 -15.2563 -15.1022 -15.0927 -14.7994 -14.7872 -9.3655 -9.3596 -9.1632 -9.1599 -9.1064 -9.0998 -8.5989 -8.5540 -8.5393 -8.4949 -8.3937 -8.3383 -8.3008 -8.2885 -8.2441 -8.2384 -8.1642 -8.1610 -3.4153 -3.3868 -2.9155 -2.8470 -2.5480 -2.5002 -2.4186 -2.3589 -2.2135 -2.1878 -1.9050 -1.8266 -1.5394 -1.4914 -1.3600 -1.3575 -1.1574 -1.1291 0.4521 0.4598 0.5484 0.5505 0.8478 0.8509 4.0728 4.1041 4.2655 4.3257 4.4009 4.4336 4.8384 4.9009 5.5470 5.5651 5.9056 6.0427 6.2886 6.3557 6.7003 6.7379 k = 0.1759 0.3315 0.5904 ( 6828 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4332 -25.4332 -24.6138 -24.6137 -24.6128 -24.6127 -15.7192 -15.7185 -15.2678 -15.2567 -15.1011 -15.0923 -14.7988 -14.7877 -9.3645 -9.3590 -9.1628 -9.1602 -9.1080 -9.1014 -8.5944 -8.5510 -8.5378 -8.4945 -8.3910 -8.3378 -8.3015 -8.2901 -8.2486 -8.2429 -8.1644 -8.1616 -3.4096 -3.3818 -2.9114 -2.8444 -2.5428 -2.4954 -2.4199 -2.3584 -2.2142 -2.1850 -1.9024 -1.8273 -1.5438 -1.4974 -1.3609 -1.3587 -1.1658 -1.1405 0.4603 0.4673 0.5396 0.5416 0.8467 0.8496 4.0918 4.1225 4.2748 4.3323 4.4044 4.4378 4.8397 4.8986 5.5639 5.5818 5.8988 6.0494 6.3171 6.3762 6.6720 6.7140 k = 0.1852 0.3226 0.6033 ( 6824 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4331 -25.4331 -24.6137 -24.6137 -24.6129 -24.6128 -15.7200 -15.7193 -15.2672 -15.2575 -15.0999 -15.0919 -14.7982 -14.7883 -9.3636 -9.3584 -9.1625 -9.1606 -9.1093 -9.1029 -8.5899 -8.5506 -8.5339 -8.4941 -8.3880 -8.3382 -8.3015 -8.2913 -8.2534 -8.2476 -8.1645 -8.1621 -3.4042 -3.3773 -2.9081 -2.8429 -2.5376 -2.4913 -2.4211 -2.3581 -2.2156 -2.1827 -1.8994 -1.8283 -1.5477 -1.5033 -1.3617 -1.3597 -1.1736 -1.1512 0.4678 0.4742 0.5317 0.5336 0.8456 0.8482 4.1096 4.1389 4.2839 4.3378 4.4077 4.4408 4.8409 4.8958 5.5804 5.5989 5.8937 6.0551 6.3466 6.3979 6.6434 6.6894 k = 0.1944 0.3138 0.6161 ( 6838 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4331 -25.4331 -24.6137 -24.6136 -24.6130 -24.6130 -15.7207 -15.7201 -15.2670 -15.2588 -15.0990 -15.0919 -14.7977 -14.7890 -9.3626 -9.3578 -9.1623 -9.1609 -9.1105 -9.1044 -8.5855 -8.5517 -8.5288 -8.4940 -8.3848 -8.3393 -8.3010 -8.2920 -8.2586 -8.2523 -8.1646 -8.1625 -3.3996 -3.3738 -2.9061 -2.8429 -2.5324 -2.4881 -2.4224 -2.3581 -2.2178 -2.1810 -1.8963 -1.8297 -1.5513 -1.5093 -1.3624 -1.3607 -1.1811 -1.1610 0.4744 0.4801 0.5248 0.5266 0.8444 0.8468 4.1249 4.1525 4.2927 4.3419 4.4107 4.4424 4.8418 4.8921 5.5956 5.6156 5.8907 6.0592 6.3765 6.4199 6.6158 6.6645 k = 0.2037 0.3049 0.6289 ( 6834 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4330 -25.4330 -24.6137 -24.6136 -24.6131 -24.6131 -15.7213 -15.7208 -15.2663 -15.2596 -15.0977 -15.0917 -14.7970 -14.7898 -9.3616 -9.3573 -9.1622 -9.1610 -9.1114 -9.1060 -8.5812 -8.5535 -8.5233 -8.4940 -8.3812 -8.3410 -8.3001 -8.2919 -8.2639 -8.2569 -8.1646 -8.1628 -3.3944 -3.3699 -2.9036 -2.8425 -2.5272 -2.4856 -2.4233 -2.3578 -2.2195 -2.1790 -1.8925 -1.8309 -1.5539 -1.5148 -1.3629 -1.3615 -1.1883 -1.1694 0.4801 0.4848 0.5194 0.5209 0.8433 0.8453 4.1401 4.1649 4.3018 4.3454 4.4138 4.4433 4.8430 4.8886 5.6102 5.6321 5.8913 6.0622 6.4061 6.4417 6.5913 6.6403 k = 0.2130 0.2960 0.6418 ( 6828 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4329 -25.4329 -24.6136 -24.6136 -24.6132 -24.6132 -15.7218 -15.7214 -15.2655 -15.2603 -15.0966 -15.0916 -14.7963 -14.7907 -9.3607 -9.3569 -9.1621 -9.1610 -9.1122 -9.1076 -8.5771 -8.5556 -8.5179 -8.4943 -8.3773 -8.3431 -8.2993 -8.2908 -8.2694 -8.2614 -8.1646 -8.1631 -3.3895 -3.3663 -2.9015 -2.8424 -2.5224 -2.4843 -2.4240 -2.3575 -2.2214 -2.1773 -1.8885 -1.8319 -1.5557 -1.5197 -1.3633 -1.3622 -1.1954 -1.1760 0.4844 0.4880 0.5155 0.5168 0.8424 0.8440 4.1538 4.1750 4.3110 4.3477 4.4168 4.4432 4.8444 4.8848 5.6232 5.6468 5.8960 6.0636 6.4341 6.4615 6.5717 6.6177 k = 0.2222 0.2871 0.6546 ( 6826 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4329 -25.4329 -24.6136 -24.6135 -24.6133 -24.6132 -15.7223 -15.7219 -15.2646 -15.2610 -15.0955 -15.0917 -14.7957 -14.7916 -9.3598 -9.3565 -9.1622 -9.1607 -9.1127 -9.1091 -8.5733 -8.5579 -8.5127 -8.4949 -8.3732 -8.3454 -8.2987 -8.2885 -8.2750 -8.2657 -8.1646 -8.1634 -3.3851 -3.3631 -2.9004 -2.8427 -2.5180 -2.4841 -2.4245 -2.3574 -2.2233 -2.1760 -1.8842 -1.8330 -1.5571 -1.5243 -1.3636 -1.3628 -1.2023 -1.1809 0.4872 0.4897 0.5133 0.5142 0.8416 0.8428 4.1653 4.1828 4.3200 4.3488 4.4193 4.4419 4.8459 4.8809 5.6341 5.6584 5.9052 6.0629 6.4583 6.4775 6.5589 6.5978 k = 0.2315 0.2782 0.6674 ( 6828 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6136 -24.6135 -24.6133 -24.6133 -15.7226 -15.7223 -15.2639 -15.2616 -15.0945 -15.0920 -14.7951 -14.7927 -9.3588 -9.3561 -9.1622 -9.1603 -9.1131 -9.1107 -8.5697 -8.5604 -8.5078 -8.4958 -8.3689 -8.3478 -8.2983 -8.2855 -8.2805 -8.2699 -8.1647 -8.1637 -3.3813 -3.3603 -2.9001 -2.8433 -2.5144 -2.4849 -2.4246 -2.3573 -2.2254 -2.1750 -1.8799 -1.8340 -1.5580 -1.5284 -1.3637 -1.3633 -1.2089 -1.1840 0.4887 0.4901 0.5122 0.5131 0.8411 0.8420 4.1742 4.1883 4.3288 4.3486 4.4211 4.4395 4.8474 4.8769 5.6424 5.6664 5.9188 6.0604 6.4754 6.4889 6.5534 6.5819 k = 0.2407 0.2693 0.6803 ( 6834 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6135 -24.6135 -24.6134 -24.6133 -15.7228 -15.7226 -15.2642 -15.2618 -15.0936 -15.0923 -14.7946 -14.7938 -9.3580 -9.3557 -9.1621 -9.1598 -9.1134 -9.1123 -8.5669 -8.5627 -8.5033 -8.4971 -8.3644 -8.3500 -8.2977 -8.2865 -8.2812 -8.2737 -8.1648 -8.1640 -3.3785 -3.3581 -2.9012 -2.8443 -2.5120 -2.4865 -2.4246 -2.3574 -2.2277 -2.1746 -1.8757 -1.8350 -1.5585 -1.5316 -1.3639 -1.3636 -1.2149 -1.1855 0.4892 0.4901 0.5118 0.5127 0.8407 0.8415 4.1794 4.1918 4.3369 4.3472 4.4219 4.4361 4.8489 4.8730 5.6473 5.6706 5.9358 6.0565 6.4832 6.4959 6.5523 6.5710 k = 0.2500 0.2604 0.6931 ( 6832 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6135 -24.6135 -24.6134 -24.6133 -15.7229 -15.7227 -15.2649 -15.2611 -15.0927 -15.0926 -14.7952 -14.7939 -9.3572 -9.3554 -9.1619 -9.1592 -9.1140 -9.1135 -8.5672 -8.5624 -8.4992 -8.4988 -8.3601 -8.3519 -8.2969 -8.2918 -8.2772 -8.2770 -8.1650 -8.1644 -3.3758 -3.3559 -2.9025 -2.8453 -2.5113 -2.4881 -2.4243 -2.3576 -2.2298 -2.1744 -1.8714 -1.8358 -1.5588 -1.5337 -1.3642 -1.3635 -1.2201 -1.1857 0.4892 0.4902 0.5115 0.5126 0.8406 0.8415 4.1819 4.1945 4.3432 4.3456 4.4213 4.4326 4.8505 4.8699 5.6486 5.6718 5.9552 6.0527 6.4850 6.4975 6.5511 6.5633 k = 0.2500 0.2604 0.6931 ( 6832 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6135 -24.6135 -24.6134 -24.6133 -15.7229 -15.7227 -15.2649 -15.2611 -15.0927 -15.0926 -14.7952 -14.7939 -9.3572 -9.3554 -9.1619 -9.1592 -9.1140 -9.1135 -8.5672 -8.5624 -8.4992 -8.4988 -8.3601 -8.3519 -8.2969 -8.2918 -8.2772 -8.2770 -8.1650 -8.1644 -3.3758 -3.3559 -2.9025 -2.8453 -2.5113 -2.4881 -2.4243 -2.3576 -2.2298 -2.1744 -1.8714 -1.8358 -1.5588 -1.5337 -1.3642 -1.3635 -1.2201 -1.1857 0.4892 0.4902 0.5115 0.5126 0.8406 0.8415 4.1819 4.1945 4.3432 4.3456 4.4213 4.4326 4.8505 4.8699 5.6486 5.6718 5.9552 6.0527 6.4850 6.4975 6.5511 6.5633 k = 0.2586 0.2694 0.6801 ( 6828 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6140 -24.6139 -24.6129 -24.6129 -15.7231 -15.7229 -15.2647 -15.2607 -15.0935 -15.0922 -14.7951 -14.7935 -9.3570 -9.3553 -9.1619 -9.1597 -9.1140 -9.1127 -8.5678 -8.5615 -8.5006 -8.4974 -8.3599 -8.3508 -8.2970 -8.2919 -8.2811 -8.2734 -8.1649 -8.1644 -3.3764 -3.3562 -2.9031 -2.8456 -2.5086 -2.4862 -2.4237 -2.3610 -2.2294 -2.1732 -1.8698 -1.8348 -1.5660 -1.5384 -1.3643 -1.3631 -1.2192 -1.1838 0.4898 0.4911 0.5118 0.5129 0.8409 0.8419 4.1822 4.1961 4.3392 4.3499 4.4214 4.4352 4.8493 4.8694 5.6469 5.6681 5.9522 6.0481 6.5072 6.5169 6.5302 6.5445 k = 0.2672 0.2784 0.6672 ( 6828 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6146 -24.6145 -24.6123 -24.6123 -15.7234 -15.7231 -15.2647 -15.2602 -15.0945 -15.0917 -14.7952 -14.7930 -9.3571 -9.3552 -9.1625 -9.1607 -9.1135 -9.1112 -8.5693 -8.5599 -8.5024 -8.4961 -8.3604 -8.3487 -8.2971 -8.2917 -8.2847 -8.2693 -8.1652 -8.1644 -3.3776 -3.3566 -2.9044 -2.8458 -2.5094 -2.4829 -2.4225 -2.3640 -2.2290 -2.1722 -1.8685 -1.8339 -1.5736 -1.5421 -1.3645 -1.3628 -1.2180 -1.1811 0.4905 0.4923 0.5119 0.5134 0.8414 0.8426 4.1797 4.1976 4.3329 4.3545 4.4207 4.4378 4.8473 4.8698 5.6428 5.6629 5.9478 6.0431 6.4859 6.4995 6.5438 6.5626 k = 0.2759 0.2874 0.6542 ( 6822 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6151 -24.6150 -24.6118 -24.6118 -15.7235 -15.7232 -15.2648 -15.2594 -15.0954 -15.0910 -14.7954 -14.7925 -9.3574 -9.3552 -9.1635 -9.1621 -9.1125 -9.1093 -8.5712 -8.5580 -8.5042 -8.4951 -8.3612 -8.3462 -8.2973 -8.2911 -8.2877 -8.2648 -8.1657 -8.1645 -3.3794 -3.3568 -2.9062 -2.8455 -2.5132 -2.4786 -2.4210 -2.3664 -2.2285 -2.1712 -1.8675 -1.8328 -1.5814 -1.5444 -1.3649 -1.3626 -1.2162 -1.1776 0.4911 0.4935 0.5119 0.5140 0.8421 0.8436 4.1749 4.1998 4.3253 4.3584 4.4198 4.4401 4.8452 4.8709 5.6368 5.6566 5.9430 6.0383 6.4597 6.4750 6.5592 6.5800 k = 0.2845 0.2963 0.6412 ( 6823 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6156 -24.6155 -24.6113 -24.6113 -15.7237 -15.7233 -15.2654 -15.2587 -15.0966 -15.0905 -14.7958 -14.7919 -9.3579 -9.3551 -9.1649 -9.1637 -9.1110 -9.1070 -8.5733 -8.5562 -8.5061 -8.4943 -8.3619 -8.3435 -8.2976 -8.2907 -8.2893 -8.2602 -8.1664 -8.1647 -3.3824 -3.3575 -2.9093 -2.8455 -2.5188 -2.4744 -2.4194 -2.3681 -2.2283 -2.1707 -1.8672 -1.8319 -1.5894 -1.5457 -1.3657 -1.3625 -1.2140 -1.1731 0.4918 0.4948 0.5119 0.5146 0.8432 0.8450 4.1672 4.2009 4.3161 4.3613 4.4185 4.4418 4.8431 4.8724 5.6290 5.6489 5.9380 6.0336 6.4348 6.4524 6.5676 6.5913 k = 0.2931 0.3053 0.6283 ( 6823 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4329 -25.4329 -24.6160 -24.6160 -24.6108 -24.6108 -15.7239 -15.7234 -15.2658 -15.2577 -15.0978 -15.0898 -14.7964 -14.7914 -9.3585 -9.3551 -9.1665 -9.1653 -9.1092 -9.1045 -8.5757 -8.5547 -8.5079 -8.4937 -8.3627 -8.3407 -8.2981 -8.2916 -8.2882 -8.2554 -8.1673 -8.1650 -3.3861 -3.3582 -2.9129 -2.8449 -2.5254 -2.4707 -2.4176 -2.3689 -2.2281 -2.1704 -1.8674 -1.8307 -1.5973 -1.5456 -1.3668 -1.3625 -1.2114 -1.1678 0.4925 0.4962 0.5117 0.5151 0.8446 0.8466 4.1581 4.2019 4.3052 4.3632 4.4172 4.4434 4.8416 4.8744 5.6203 5.6402 5.9336 6.0299 6.4120 6.4325 6.5705 6.5987 k = 0.3017 0.3143 0.6153 ( 6822 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4329 -25.4329 -24.6164 -24.6164 -24.6104 -24.6104 -15.7240 -15.7235 -15.2663 -15.2565 -15.0990 -15.0891 -14.7970 -14.7909 -9.3592 -9.3551 -9.1683 -9.1668 -9.1072 -9.1018 -8.5783 -8.5535 -8.5095 -8.4932 -8.3632 -8.3380 -8.2986 -8.2922 -8.2862 -8.2505 -8.1683 -8.1653 -3.3905 -3.3590 -2.9170 -2.8440 -2.5328 -2.4678 -2.4158 -2.3688 -2.2280 -2.1705 -1.8683 -1.8293 -1.6053 -1.5443 -1.3682 -1.3626 -1.2083 -1.1616 0.4931 0.4976 0.5115 0.5156 0.8464 0.8486 4.1475 4.2024 4.2926 4.3639 4.4159 4.4445 4.8406 4.8769 5.6111 5.6308 5.9297 6.0270 6.3914 6.4154 6.5696 6.6044 k = 0.3103 0.3233 0.6023 ( 6824 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4329 -25.4329 -24.6168 -24.6167 -24.6100 -24.6100 -15.7242 -15.7236 -15.2671 -15.2554 -15.1004 -15.0884 -14.7978 -14.7904 -9.3601 -9.3552 -9.1700 -9.1682 -9.1050 -9.0991 -8.5811 -8.5528 -8.5109 -8.4928 -8.3637 -8.3353 -8.2990 -8.2921 -8.2838 -8.2456 -8.1694 -8.1657 -3.3960 -3.3603 -2.9223 -2.8431 -2.5405 -2.4660 -2.4137 -2.3680 -2.2281 -2.1711 -1.8702 -1.8277 -1.6132 -1.5418 -1.3699 -1.3629 -1.2049 -1.1547 0.4938 0.4990 0.5111 0.5160 0.8485 0.8510 4.1351 4.2017 4.2782 4.3633 4.4145 4.4454 4.8403 4.8799 5.6015 5.6207 5.9263 6.0250 6.3730 6.4011 6.5669 6.6098 k = 0.3190 0.3323 0.5894 ( 6825 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4329 -25.4329 -24.6171 -24.6171 -24.6096 -24.6096 -15.7243 -15.7237 -15.2679 -15.2542 -15.1019 -15.0877 -14.7986 -14.7899 -9.3609 -9.3552 -9.1716 -9.1695 -9.1029 -9.0965 -8.5843 -8.5526 -8.5120 -8.4922 -8.3640 -8.3327 -8.2991 -8.2916 -8.2808 -8.2407 -8.1706 -8.1661 -3.4021 -3.3618 -2.9280 -2.8422 -2.5485 -2.4650 -2.4116 -2.3664 -2.2286 -2.1722 -1.8728 -1.8259 -1.6208 -1.5383 -1.3720 -1.3635 -1.2010 -1.1470 0.4944 0.5003 0.5106 0.5164 0.8509 0.8537 4.1212 4.2003 4.2620 4.3614 4.4133 4.4459 4.8408 4.8834 5.5921 5.6105 5.9234 6.0241 6.3571 6.3896 6.5637 6.6156 k = 0.3276 0.3412 0.5764 ( 6823 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4329 -25.4329 -24.6174 -24.6173 -24.6093 -24.6093 -15.7245 -15.7238 -15.2687 -15.2528 -15.1034 -15.0869 -14.7995 -14.7895 -9.3617 -9.3551 -9.1731 -9.1706 -9.1008 -9.0939 -8.5877 -8.5529 -8.5129 -8.4914 -8.3641 -8.3303 -8.2988 -8.2908 -8.2775 -8.2359 -8.1717 -8.1665 -3.4090 -3.3639 -2.9345 -2.8411 -2.5565 -2.4647 -2.4093 -2.3641 -2.2292 -2.1737 -1.8762 -1.8238 -1.6280 -1.5335 -1.3744 -1.3642 -1.1967 -1.1387 0.4949 0.5017 0.5100 0.5168 0.8537 0.8566 4.1057 4.1984 4.2441 4.3581 4.4122 4.4463 4.8423 4.8875 5.5831 5.6005 5.9212 6.0245 6.3437 6.3808 6.5610 6.6222 k = 0.3362 0.3502 0.5634 ( 6830 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4752 -45.1928 -45.1927 -44.2811 -44.2811 -25.4330 -25.4329 -24.6176 -24.6176 -24.6090 -24.6090 -15.7247 -15.7239 -15.2697 -15.2516 -15.1051 -15.0862 -14.8006 -14.7891 -9.3625 -9.3550 -9.1743 -9.1714 -9.0987 -9.0915 -8.5914 -8.5539 -8.5136 -8.4904 -8.3641 -8.3280 -8.2981 -8.2895 -8.2738 -8.2312 -8.1729 -8.1668 -3.4170 -3.3669 -2.9419 -2.8406 -2.5646 -2.4650 -2.4069 -2.3614 -2.2304 -2.1758 -1.8806 -1.8219 -1.6348 -1.5278 -1.3771 -1.3653 -1.1921 -1.1298 0.4954 0.5031 0.5093 0.5170 0.8568 0.8599 4.0884 4.1945 4.2249 4.3532 4.4112 4.4462 4.8446 4.8920 5.5748 5.5909 5.9193 6.0257 6.3327 6.3745 6.5594 6.6300 k = 0.3448 0.3592 0.5505 ( 6825 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4330 -25.4330 -24.6178 -24.6178 -24.6088 -24.6088 -15.7249 -15.7240 -15.2705 -15.2500 -15.1067 -15.0853 -14.8017 -14.7887 -9.3632 -9.3548 -9.1753 -9.1719 -9.0968 -9.0893 -8.5953 -8.5553 -8.5141 -8.4890 -8.3640 -8.3259 -8.2971 -8.2878 -8.2697 -8.2268 -8.1739 -8.1671 -3.4251 -3.3700 -2.9489 -2.8398 -2.5721 -2.4654 -2.4044 -2.3581 -2.2317 -2.1781 -1.8855 -1.8194 -1.6407 -1.5209 -1.3800 -1.3665 -1.1870 -1.1205 0.4959 0.5044 0.5085 0.5173 0.8602 0.8635 4.0704 4.1888 4.2059 4.3473 4.4108 4.4461 4.8481 4.8973 5.5676 5.5822 5.9181 6.0286 6.3243 6.3705 6.5596 6.6390 k = 0.3534 0.3682 0.5375 ( 6825 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4330 -25.4330 -24.6180 -24.6179 -24.6086 -24.6086 -15.7251 -15.7241 -15.2714 -15.2486 -15.1085 -15.0846 -14.8029 -14.7883 -9.3638 -9.3545 -9.1760 -9.1722 -9.0951 -9.0872 -8.5995 -8.5572 -8.5145 -8.4872 -8.3637 -8.3240 -8.2961 -8.2855 -8.2653 -8.2226 -8.1749 -8.1671 -3.4341 -3.3741 -2.9567 -2.8397 -2.5794 -2.4660 -2.4020 -2.3546 -2.2334 -2.1810 -1.8912 -1.8173 -1.6460 -1.5135 -1.3832 -1.3680 -1.1817 -1.1107 0.4962 0.5056 0.5077 0.5175 0.8638 0.8672 4.0506 4.1742 4.1933 4.3398 4.4104 4.4458 4.8523 4.9031 5.5613 5.5746 5.9174 6.0323 6.3181 6.3685 6.5616 6.6494 k = 0.3621 0.3772 0.5245 ( 6825 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4330 -25.4330 -24.6181 -24.6180 -24.6085 -24.6085 -15.7253 -15.7243 -15.2722 -15.2471 -15.1103 -15.0839 -14.8041 -14.7880 -9.3643 -9.3541 -9.1765 -9.1721 -9.0936 -9.0854 -8.6039 -8.5595 -8.5147 -8.4850 -8.3633 -8.3223 -8.2951 -8.2826 -8.2606 -8.2187 -8.1758 -8.1670 -3.4435 -3.3789 -2.9649 -2.8400 -2.5862 -2.4664 -2.3998 -2.3508 -2.2353 -2.1845 -1.8973 -1.8153 -1.6504 -1.5054 -1.3867 -1.3697 -1.1762 -1.1007 0.4965 0.5058 0.5079 0.5178 0.8677 0.8712 4.0294 4.1517 4.1865 4.3311 4.4101 4.4454 4.8574 4.9093 5.5562 5.5683 5.9174 6.0369 6.3143 6.3684 6.5658 6.6612 k = 0.3707 0.3861 0.5116 ( 6827 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4330 -25.4330 -24.6181 -24.6181 -24.6084 -24.6084 -15.7255 -15.7244 -15.2730 -15.2455 -15.1122 -15.0832 -14.8054 -14.7877 -9.3645 -9.3536 -9.1767 -9.1717 -9.0923 -9.0837 -8.6085 -8.5622 -8.5147 -8.4825 -8.3628 -8.3206 -8.2942 -8.2790 -8.2557 -8.2153 -8.1765 -8.1666 -3.4535 -3.3844 -2.9731 -2.8411 -2.5922 -2.4665 -2.3977 -2.3470 -2.2374 -2.1884 -1.9038 -1.8135 -1.6539 -1.4970 -1.3904 -1.3717 -1.1706 -1.0906 0.4967 0.5049 0.5091 0.5182 0.8718 0.8753 4.0071 4.1266 4.1802 4.3212 4.4101 4.4450 4.8633 4.9161 5.5525 5.5636 5.9181 6.0425 6.3126 6.3698 6.5725 6.6742 k = 0.3793 0.3951 0.4986 ( 6825 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4330 -25.4330 -24.6181 -24.6181 -24.6084 -24.6083 -15.7257 -15.7246 -15.2740 -15.2438 -15.1141 -15.0826 -14.8068 -14.7874 -9.3646 -9.3529 -9.1766 -9.1710 -9.0912 -9.0823 -8.6133 -8.5651 -8.5144 -8.4797 -8.3623 -8.3191 -8.2935 -8.2749 -8.2506 -8.2124 -8.1771 -8.1659 -3.4639 -3.3906 -2.9813 -2.8431 -2.5975 -2.4663 -2.3957 -2.3431 -2.2399 -2.1928 -1.9107 -1.8117 -1.6561 -1.4884 -1.3942 -1.3737 -1.1648 -1.0803 0.4968 0.5038 0.5106 0.5188 0.8760 0.8796 3.9839 4.1000 4.1733 4.3100 4.4100 4.4446 4.8701 4.9234 5.5502 5.5606 5.9193 6.0489 6.3129 6.3724 6.5818 6.6885 k = 0.3879 0.4041 0.4856 ( 6821 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4330 -25.4330 -24.6181 -24.6180 -24.6084 -24.6083 -15.7259 -15.7247 -15.2746 -15.2420 -15.1161 -15.0820 -14.8082 -14.7872 -9.3645 -9.3520 -9.1763 -9.1700 -9.0903 -9.0811 -8.6182 -8.5682 -8.5138 -8.4766 -8.3618 -8.3175 -8.2929 -8.2703 -8.2455 -8.2101 -8.1775 -8.1648 -3.4743 -3.3976 -2.9894 -2.8456 -2.6017 -2.4658 -2.3937 -2.3394 -2.2424 -2.1976 -1.9177 -1.8102 -1.6570 -1.4800 -1.3981 -1.3758 -1.1590 -1.0700 0.4968 0.5026 0.5123 0.5195 0.8803 0.8839 3.9598 4.0724 4.1659 4.2977 4.4105 4.4444 4.8777 4.9312 5.5495 5.5595 5.9217 6.0561 6.3150 6.3762 6.5938 6.7041 k = 0.3966 0.4131 0.4727 ( 6812 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2810 -25.4329 -25.4329 -24.6180 -24.6179 -24.6085 -24.6084 -15.7261 -15.7249 -15.2752 -15.2404 -15.1180 -15.0813 -14.8096 -14.7870 -9.3641 -9.3510 -9.1758 -9.1687 -9.0897 -9.0801 -8.6232 -8.5715 -8.5130 -8.4734 -8.3613 -8.3159 -8.2925 -8.2654 -8.2403 -8.2084 -8.1777 -8.1633 -3.4851 -3.4054 -2.9978 -2.8493 -2.6051 -2.4648 -2.3917 -2.3358 -2.2448 -2.2026 -1.9248 -1.8092 -1.6564 -1.4719 -1.4020 -1.3776 -1.1530 -1.0598 0.4968 0.5016 0.5141 0.5205 0.8846 0.8882 3.9349 4.0441 4.1575 4.2842 4.4109 4.4445 4.8860 4.9396 5.5504 5.5603 5.9249 6.0641 6.3187 6.3808 6.6083 6.7209 k = 0.4052 0.4221 0.4597 ( 6822 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4329 -25.4329 -24.6178 -24.6178 -24.6086 -24.6085 -15.7264 -15.7250 -15.2764 -15.2392 -15.1202 -15.0811 -14.8111 -14.7869 -9.3636 -9.3499 -9.1750 -9.1670 -9.0892 -9.0793 -8.6283 -8.5750 -8.5118 -8.4701 -8.3609 -8.3143 -8.2922 -8.2603 -8.2351 -8.2072 -8.1778 -8.1615 -3.4966 -3.4143 -3.0071 -2.8547 -2.6079 -2.4638 -2.3901 -2.3327 -2.2478 -2.2084 -1.9320 -1.8090 -1.6551 -1.4654 -1.4060 -1.3790 -1.1473 -1.0499 0.4967 0.5005 0.5159 0.5217 0.8890 0.8925 3.9087 4.0150 4.1472 4.2695 4.4101 4.4438 4.8945 4.9479 5.5527 5.5626 5.9285 6.0719 6.3238 6.3860 6.6253 6.7385 k = 0.4138 0.4310 0.4467 ( 6821 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4329 -25.4329 -24.6177 -24.6176 -24.6087 -24.6086 -15.7265 -15.7252 -15.2773 -15.2379 -15.1223 -15.0808 -14.8125 -14.7868 -9.3630 -9.3486 -9.1740 -9.1650 -9.0890 -9.0787 -8.6334 -8.5784 -8.5102 -8.4668 -8.3604 -8.3127 -8.2919 -8.2551 -8.2301 -8.2065 -8.1778 -8.1592 -3.5081 -3.4237 -3.0158 -2.8608 -2.6094 -2.4623 -2.3884 -2.3300 -2.2503 -2.2142 -1.9390 -1.8089 -1.6522 -1.4603 -1.4100 -1.3793 -1.1415 -1.0401 0.4966 0.4997 0.5180 0.5233 0.8933 0.8968 3.8824 3.9856 4.1365 4.2537 4.4101 4.4439 4.9039 4.9568 5.5567 5.5668 5.9334 6.0804 6.3300 6.3917 6.6449 6.7573 k = 0.4224 0.4400 0.4338 ( 6817 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4329 -25.4329 -24.6174 -24.6174 -24.6089 -24.6088 -15.7267 -15.7252 -15.2778 -15.2364 -15.1243 -15.0805 -14.8139 -14.7867 -9.3621 -9.3473 -9.1728 -9.1627 -9.0889 -9.0782 -8.6385 -8.5818 -8.5084 -8.4636 -8.3600 -8.3110 -8.2916 -8.2498 -8.2252 -8.2062 -8.1776 -8.1567 -3.5195 -3.4335 -3.0241 -2.8673 -2.6097 -2.4602 -2.3866 -2.3277 -2.2525 -2.2201 -1.9456 -1.8088 -1.6481 -1.4572 -1.4142 -1.3780 -1.1358 -1.0307 0.4967 0.4991 0.5202 0.5251 0.8975 0.9010 3.8562 3.9561 4.1249 4.2369 4.4109 4.4445 4.9137 4.9662 5.5623 5.5728 5.9396 6.0893 6.3374 6.3979 6.6667 6.7771 k = 0.4310 0.4490 0.4208 ( 6825 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4329 -25.4329 -24.6172 -24.6171 -24.6091 -24.6091 -15.7268 -15.7253 -15.2787 -15.2354 -15.1265 -15.0805 -14.8153 -14.7867 -9.3612 -9.3459 -9.1714 -9.1601 -9.0889 -9.0779 -8.6435 -8.5852 -8.5063 -8.4605 -8.3597 -8.3094 -8.2912 -8.2446 -8.2206 -8.2062 -8.1772 -8.1539 -3.5313 -3.4442 -3.0328 -2.8752 -2.6096 -2.4582 -2.3850 -2.3261 -2.2548 -2.2265 -1.9519 -1.8094 -1.6432 -1.4566 -1.4189 -1.3750 -1.1304 -1.0217 0.4968 0.4987 0.5226 0.5272 0.9016 0.9050 3.8294 3.9265 4.1117 4.2190 4.4109 4.4445 4.9238 4.9756 5.5691 5.5802 5.9465 6.0982 6.3455 6.4043 6.6907 6.7975 k = 0.4397 0.4580 0.4078 ( 6824 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4328 -25.4328 -24.6169 -24.6168 -24.6094 -24.6093 -15.7268 -15.7253 -15.2795 -15.2343 -15.1285 -15.0805 -14.8167 -14.7867 -9.3601 -9.3444 -9.1698 -9.1573 -9.0889 -9.0776 -8.6484 -8.5883 -8.5040 -8.4577 -8.3594 -8.3078 -8.2906 -8.2396 -8.2165 -8.2063 -8.1765 -8.1511 -3.5429 -3.4550 -3.0410 -2.8838 -2.6086 -2.4558 -2.3834 -2.3251 -2.2569 -2.2325 -1.9575 -1.8100 -1.6372 -1.4579 -1.4240 -1.3701 -1.1250 -1.0132 0.4972 0.4988 0.5253 0.5296 0.9055 0.9089 3.8030 3.8970 4.0977 4.2001 4.4114 4.4453 4.9343 4.9854 5.5774 5.5894 5.9545 6.1075 6.3543 6.4110 6.7167 6.8187 k = 0.4483 0.4670 0.3949 ( 6824 PWs) bands (ev): -76.1550 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4328 -25.4328 -24.6165 -24.6165 -24.6097 -24.6097 -15.7268 -15.7252 -15.2803 -15.2333 -15.1306 -15.0807 -14.8180 -14.7868 -9.3589 -9.3429 -9.1681 -9.1543 -9.0890 -9.0774 -8.6530 -8.5912 -8.5016 -8.4552 -8.3592 -8.3066 -8.2896 -8.2348 -8.2132 -8.2062 -8.1756 -8.1481 -3.5542 -3.4662 -3.0490 -2.8929 -2.6067 -2.4532 -2.3818 -2.3246 -2.2593 -2.2381 -1.9625 -1.8107 -1.6306 -1.4608 -1.4298 -1.3640 -1.1199 -1.0052 0.4978 0.4992 0.5281 0.5322 0.9093 0.9126 3.7768 3.8678 4.0827 4.1803 4.4121 4.4461 4.9451 4.9955 5.5868 5.6000 5.9635 6.1168 6.3637 6.4177 6.7443 6.8402 k = 0.4569 0.4759 0.3819 ( 6837 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4328 -25.4328 -24.6161 -24.6161 -24.6101 -24.6100 -15.7267 -15.7251 -15.2813 -15.2328 -15.1327 -15.0812 -14.8193 -14.7870 -9.3578 -9.3415 -9.1664 -9.1512 -9.0891 -9.0772 -8.6574 -8.5937 -8.4992 -8.4530 -8.3590 -8.3056 -8.2882 -8.2304 -8.2112 -8.2054 -8.1743 -8.1451 -3.5658 -3.4779 -3.0574 -2.9030 -2.6051 -2.4510 -2.3803 -2.3249 -2.2626 -2.2431 -1.9668 -1.8119 -1.6237 -1.4650 -1.4362 -1.3573 -1.1150 -0.9978 0.4987 0.5001 0.5312 0.5351 0.9128 0.9160 3.7507 3.8391 4.0662 4.1595 4.4118 4.4462 4.9558 5.0055 5.5970 5.6117 5.9732 6.1258 6.3735 6.4246 6.7732 6.8617 k = 0.4655 0.4849 0.3689 ( 6841 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4327 -25.4327 -24.6157 -24.6157 -24.6105 -24.6104 -15.7266 -15.7249 -15.2820 -15.2322 -15.1348 -15.0818 -14.8205 -14.7872 -9.3566 -9.3401 -9.1645 -9.1479 -9.0890 -9.0770 -8.6615 -8.5959 -8.4968 -8.4513 -8.3590 -8.3051 -8.2862 -8.2266 -8.2106 -8.2037 -8.1727 -8.1421 -3.5766 -3.4895 -3.0652 -2.9131 -2.6026 -2.4486 -2.3788 -2.3254 -2.2666 -2.2468 -1.9700 -1.8129 -1.6162 -1.4699 -1.4432 -1.3502 -1.1103 -0.9911 0.4999 0.5015 0.5345 0.5382 0.9161 0.9192 3.7254 3.8110 4.0490 4.1380 4.4126 4.4469 4.9668 5.0159 5.6079 5.6247 5.9842 6.1351 6.3837 6.4316 6.8032 6.8828 k = 0.4741 0.4939 0.3560 ( 6835 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4327 -25.4327 -24.6153 -24.6152 -24.6109 -24.6108 -15.7263 -15.7246 -15.2824 -15.2315 -15.1366 -15.0823 -14.8215 -14.7875 -9.3553 -9.3387 -9.1626 -9.1447 -9.0888 -9.0767 -8.6652 -8.5976 -8.4945 -8.4500 -8.3590 -8.3049 -8.2838 -8.2236 -8.2104 -8.2019 -8.1705 -8.1391 -3.5868 -3.5009 -3.0721 -2.9233 -2.5991 -2.4460 -2.3772 -2.3261 -2.2714 -2.2494 -1.9722 -1.8136 -1.6082 -1.4750 -1.4504 -1.3427 -1.1056 -0.9849 0.5017 0.5034 0.5380 0.5416 0.9190 0.9221 3.7012 3.7838 4.0312 4.1157 4.4145 4.4484 4.9781 5.0265 5.6194 5.6386 5.9963 6.1445 6.3942 6.4387 6.8337 6.9024 k = 0.4828 0.5029 0.3430 ( 6842 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4327 -25.4327 -24.6148 -24.6147 -24.6113 -24.6113 -15.7259 -15.7242 -15.2832 -15.2314 -15.1385 -15.0833 -14.8225 -14.7878 -9.3542 -9.3375 -9.1607 -9.1417 -9.0883 -9.0764 -8.6684 -8.5987 -8.4925 -8.4492 -8.3592 -8.3050 -8.2809 -8.2218 -8.2100 -8.2005 -8.1680 -8.1362 -3.5970 -3.5124 -3.0794 -2.9341 -2.5962 -2.4440 -2.3758 -2.3272 -2.2771 -2.2514 -1.9735 -1.8148 -1.6004 -1.4807 -1.4581 -1.3358 -1.1012 -0.9795 0.5039 0.5059 0.5417 0.5452 0.9217 0.9247 3.6774 3.7573 4.0122 4.0926 4.4153 4.4490 4.9890 5.0369 5.6309 5.6529 6.0091 6.1535 6.4049 6.4459 6.8632 6.9183 k = 0.4914 0.5119 0.3300 ( 6852 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4327 -25.4327 -24.6143 -24.6142 -24.6118 -24.6117 -15.7255 -15.7237 -15.2841 -15.2316 -15.1402 -15.0843 -14.8234 -14.7882 -9.3531 -9.3364 -9.1589 -9.1388 -9.0875 -9.0759 -8.6711 -8.5993 -8.4907 -8.4488 -8.3596 -8.3053 -8.2778 -8.2212 -8.2089 -8.1996 -8.1652 -8.1333 -3.6069 -3.5237 -3.0864 -2.9452 -2.5934 -2.4423 -2.3743 -2.3283 -2.2829 -2.2529 -1.9740 -1.8162 -1.5927 -1.4864 -1.4656 -1.3290 -1.0969 -0.9747 0.5066 0.5088 0.5457 0.5490 0.9239 0.9268 3.6548 3.7320 3.9923 4.0689 4.4157 4.4494 4.9998 5.0473 5.6421 5.6674 6.0230 6.1624 6.4158 6.4531 6.8893 6.9270 k = 0.5000 0.5208 0.3171 ( 6848 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4327 -25.4327 -24.6138 -24.6137 -24.6123 -24.6122 -15.7249 -15.7231 -15.2845 -15.2317 -15.1417 -15.0855 -14.8241 -14.7886 -9.3520 -9.3354 -9.1572 -9.1363 -9.0863 -9.0753 -8.6732 -8.5993 -8.4893 -8.4489 -8.3601 -8.3057 -8.2746 -8.2218 -8.2074 -8.1992 -8.1622 -8.1304 -3.6156 -3.5345 -3.0926 -2.9558 -2.5898 -2.4406 -2.3728 -2.3295 -2.2883 -2.2543 -1.9733 -1.8174 -1.5854 -1.4922 -1.4727 -1.3226 -1.0927 -0.9706 0.5099 0.5123 0.5498 0.5531 0.9258 0.9287 3.6335 3.7079 3.9720 4.0446 4.4176 4.4506 5.0106 5.0578 5.6530 5.6821 6.0383 6.1715 6.4270 6.4606 6.9027 6.9264 k = 0.5000 0.5208 0.3171 ( 6848 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4327 -25.4327 -24.6138 -24.6137 -24.6123 -24.6122 -15.7249 -15.7231 -15.2845 -15.2317 -15.1417 -15.0855 -14.8241 -14.7886 -9.3520 -9.3354 -9.1572 -9.1363 -9.0863 -9.0753 -8.6732 -8.5993 -8.4893 -8.4489 -8.3601 -8.3057 -8.2746 -8.2218 -8.2074 -8.1992 -8.1622 -8.1304 -3.6156 -3.5345 -3.0926 -2.9558 -2.5898 -2.4406 -2.3728 -2.3295 -2.2883 -2.2543 -1.9733 -1.8174 -1.5854 -1.4922 -1.4727 -1.3226 -1.0927 -0.9706 0.5099 0.5123 0.5498 0.5531 0.9258 0.9287 3.6335 3.7079 3.9720 4.0446 4.4176 4.4506 5.0106 5.0578 5.6530 5.6821 6.0383 6.1715 6.4270 6.4606 6.9027 6.9264 k = 0.5000 0.5208 0.2994 ( 6848 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4327 -25.4327 -24.6134 -24.6133 -24.6126 -24.6126 -15.7240 -15.7221 -15.2849 -15.2320 -15.1436 -15.0872 -14.8249 -14.7892 -9.3506 -9.3342 -9.1552 -9.1336 -9.0842 -9.0741 -8.6753 -8.5985 -8.4876 -8.4495 -8.3610 -8.3064 -8.2702 -8.2233 -8.2053 -8.1993 -8.1577 -8.1266 -3.6268 -3.5489 -3.1005 -2.9700 -2.5847 -2.4389 -2.3708 -2.3312 -2.2949 -2.2559 -1.9712 -1.8190 -1.5775 -1.4999 -1.4809 -1.3147 -1.0872 -0.9661 0.5151 0.5179 0.5558 0.5588 0.9279 0.9307 3.6058 3.6763 3.9438 4.0113 4.4206 4.4522 5.0252 5.0719 5.6669 5.7012 6.0604 6.1838 6.4421 6.4709 6.9022 6.9248 k = 0.5000 0.5208 0.2818 ( 6854 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4327 -25.4327 -24.6138 -24.6138 -24.6121 -24.6120 -15.7230 -15.7210 -15.2853 -15.2327 -15.1454 -15.0893 -14.8256 -14.7900 -9.3493 -9.3333 -9.1534 -9.1317 -9.0815 -9.0725 -8.6765 -8.5972 -8.4860 -8.4501 -8.3617 -8.3070 -8.2659 -8.2251 -8.2038 -8.1995 -8.1532 -8.1229 -3.6375 -3.5631 -3.1080 -2.9844 -2.5795 -2.4377 -2.3690 -2.3334 -2.3002 -2.2572 -1.9683 -1.8206 -1.5732 -1.5082 -1.4863 -1.3081 -1.0819 -0.9625 0.5211 0.5242 0.5621 0.5649 0.9296 0.9324 3.5790 3.6456 3.9154 3.9781 4.4231 4.4539 5.0396 5.0856 5.6798 5.7191 6.0837 6.1957 6.4568 6.4815 6.9030 6.9239 k = 0.5000 0.5208 0.2642 ( 6862 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4327 -25.4326 -24.6145 -24.6144 -24.6114 -24.6114 -15.7219 -15.7199 -15.2857 -15.2339 -15.1469 -15.0916 -14.8260 -14.7908 -9.3481 -9.3325 -9.1520 -9.1306 -9.0785 -9.0703 -8.6769 -8.5954 -8.4845 -8.4508 -8.3623 -8.3077 -8.2620 -8.2271 -8.2045 -8.1984 -8.1486 -8.1194 -3.6480 -3.5771 -3.1154 -2.9985 -2.5743 -2.4373 -2.3676 -2.3358 -2.3039 -2.2580 -1.9647 -1.8227 -1.5734 -1.5179 -1.4868 -1.3024 -1.0767 -0.9599 0.5278 0.5312 0.5686 0.5712 0.9310 0.9337 3.5531 3.6159 3.8871 3.9453 4.4256 4.4549 5.0536 5.0989 5.6916 5.7355 6.1080 6.2080 6.4710 6.4921 6.9048 6.9237 k = 0.5000 0.5208 0.2466 ( 6866 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4326 -25.4326 -24.6151 -24.6151 -24.6107 -24.6107 -15.7208 -15.7187 -15.2857 -15.2351 -15.1481 -15.0940 -14.8262 -14.7917 -9.3469 -9.3318 -9.1509 -9.1301 -9.0755 -9.0676 -8.6765 -8.5931 -8.4831 -8.4514 -8.3629 -8.3083 -8.2588 -8.2288 -8.2067 -8.1964 -8.1439 -8.1161 -3.6576 -3.5906 -3.1219 -3.0122 -2.5686 -2.4373 -2.3668 -2.3385 -2.3054 -2.2580 -1.9606 -1.8249 -1.5775 -1.5288 -1.4825 -1.2981 -1.0717 -0.9582 0.5351 0.5387 0.5753 0.5777 0.9321 0.9347 3.5285 3.5874 3.8595 3.9131 4.4290 4.4566 5.0674 5.1117 5.7027 5.7503 6.1335 6.2212 6.4845 6.5026 6.9075 6.9241 k = 0.5000 0.5208 0.2290 ( 6870 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4326 -25.4326 -24.6157 -24.6157 -24.6100 -24.6100 -15.7196 -15.7175 -15.2858 -15.2369 -15.1492 -15.0969 -14.8262 -14.7927 -9.3457 -9.3314 -9.1500 -9.1301 -9.0725 -9.0645 -8.6751 -8.5905 -8.4820 -8.4520 -8.3632 -8.3089 -8.2568 -8.2298 -8.2097 -8.1943 -8.1394 -8.1130 -3.6668 -3.6038 -3.1282 -3.0259 -2.5635 -2.4386 -2.3668 -2.3416 -2.3049 -2.2574 -1.9563 -1.8275 -1.5846 -1.5407 -1.4750 -1.2950 -1.0666 -0.9574 0.5429 0.5467 0.5821 0.5842 0.9330 0.9354 3.5052 3.5601 3.8325 3.8819 4.4313 4.4575 5.0805 5.1236 5.7128 5.7631 6.1598 6.2354 6.4973 6.5128 6.9108 6.9252 k = 0.5000 0.5208 0.2114 ( 6872 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4326 -25.4326 -24.6163 -24.6163 -24.6094 -24.6093 -15.7184 -15.7163 -15.2857 -15.2388 -15.1499 -15.0997 -14.8260 -14.7937 -9.3447 -9.3310 -9.1493 -9.1305 -9.0696 -9.0610 -8.6729 -8.5878 -8.4810 -8.4523 -8.3634 -8.3096 -8.2563 -8.2298 -8.2130 -8.1923 -8.1349 -8.1102 -3.6752 -3.6164 -3.1338 -3.0389 -2.5579 -2.4406 -2.3672 -2.3449 -2.3022 -2.2559 -1.9516 -1.8305 -1.5933 -1.5527 -1.4656 -1.2928 -1.0617 -0.9574 0.5511 0.5550 0.5889 0.5908 0.9335 0.9358 3.4832 3.5341 3.8066 3.8517 4.4341 4.4588 5.0933 5.1349 5.7222 5.7741 6.1867 6.2511 6.5092 6.5225 6.9146 6.9270 k = 0.5000 0.5208 0.1938 ( 6862 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4326 -25.4326 -24.6169 -24.6168 -24.6087 -24.6087 -15.7171 -15.7151 -15.2850 -15.2404 -15.1501 -15.1025 -14.8255 -14.7948 -9.3436 -9.3308 -9.1487 -9.1311 -9.0668 -9.0576 -8.6699 -8.5851 -8.4801 -8.4525 -8.3635 -8.3102 -8.2574 -8.2293 -8.2161 -8.1905 -8.1305 -8.1075 -3.6826 -3.6282 -3.1380 -3.0510 -2.5513 -2.4426 -2.3677 -2.3483 -2.2978 -2.2536 -1.9465 -1.8333 -1.6026 -1.5647 -1.4550 -1.2916 -1.0566 -0.9580 0.5595 0.5634 0.5957 0.5973 0.9339 0.9361 3.4629 3.5096 3.7819 3.8229 4.4384 4.4617 5.1058 5.1455 5.7311 5.7833 6.2140 6.2681 6.5203 6.5317 6.9190 6.9296 k = 0.5000 0.5208 0.1761 ( 6862 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4326 -25.4326 -24.6174 -24.6174 -24.6082 -24.6081 -15.7158 -15.7139 -15.2845 -15.2429 -15.1502 -15.1055 -14.8249 -14.7960 -9.3426 -9.3308 -9.1483 -9.1319 -9.0640 -9.0543 -8.6660 -8.5826 -8.4793 -8.4525 -8.3633 -8.3109 -8.2598 -8.2297 -8.2175 -8.1889 -8.1264 -8.1052 -3.6894 -3.6397 -3.1424 -3.0629 -2.5458 -2.4463 -2.3683 -2.3519 -2.2921 -2.2507 -1.9418 -1.8372 -1.6122 -1.5766 -1.4441 -1.2916 -1.0516 -0.9595 0.5679 0.5718 0.6023 0.6037 0.9340 0.9361 3.4440 3.4866 3.7585 3.7956 4.4412 4.4626 5.1174 5.1549 5.7391 5.7905 6.2411 6.2861 6.5304 6.5402 6.9236 6.9331 k = 0.5000 0.5208 0.1585 ( 6866 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4326 -25.4326 -24.6179 -24.6179 -24.6076 -24.6076 -15.7146 -15.7127 -15.2841 -15.2456 -15.1499 -15.1085 -14.8241 -14.7974 -9.3417 -9.3309 -9.1479 -9.1329 -9.0613 -9.0512 -8.6615 -8.5805 -8.4785 -8.4524 -8.3628 -8.3117 -8.2628 -8.2324 -8.2164 -8.1876 -8.1225 -8.1032 -3.6957 -3.6506 -3.1460 -3.0744 -2.5409 -2.4509 -2.3689 -2.3553 -2.2856 -2.2474 -1.9374 -1.8418 -1.6214 -1.5884 -1.4330 -1.2927 -1.0466 -0.9616 0.5761 0.5799 0.6087 0.6097 0.9340 0.9359 3.4268 3.4653 3.7368 3.7700 4.4429 4.4628 5.1282 5.1632 5.7465 5.7958 6.2677 6.3049 6.5396 6.5479 6.9285 6.9373 k = 0.5000 0.5208 0.1409 ( 6860 PWs) bands (ev): -76.1550 -76.1550 -46.4752 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4326 -25.4326 -24.6184 -24.6183 -24.6071 -24.6071 -15.7134 -15.7116 -15.2832 -15.2481 -15.1493 -15.1116 -14.8232 -14.7987 -9.3408 -9.3311 -9.1475 -9.1340 -9.0587 -9.0486 -8.6562 -8.5792 -8.4775 -8.4523 -8.3619 -8.3127 -8.2660 -8.2366 -8.2137 -8.1866 -8.1187 -8.1015 -3.7007 -3.6604 -3.1486 -3.0850 -2.5354 -2.4556 -2.3694 -2.3584 -2.2783 -2.2438 -1.9329 -1.8467 -1.6299 -1.5994 -1.4218 -1.2948 -1.0415 -0.9643 0.5841 0.5877 0.6147 0.6155 0.9339 0.9356 3.4115 3.4458 3.7170 3.7464 4.4455 4.4641 5.1384 5.1704 5.7536 5.7997 6.2934 6.3240 6.5478 6.5548 6.9339 6.9423 k = 0.5000 0.5208 0.1233 ( 6844 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4326 -25.4326 -24.6188 -24.6187 -24.6067 -24.6067 -15.7122 -15.7106 -15.2818 -15.2504 -15.1483 -15.1147 -14.8220 -14.8001 -9.3400 -9.3313 -9.1472 -9.1351 -9.0561 -9.0464 -8.6504 -8.5786 -8.4761 -8.4522 -8.3607 -8.3141 -8.2691 -8.2414 -8.2105 -8.1859 -8.1153 -8.1000 -3.7048 -3.6694 -3.1503 -3.0945 -2.5291 -2.4597 -2.3699 -2.3611 -2.2708 -2.2399 -1.9284 -1.8519 -1.6372 -1.6095 -1.4105 -1.2977 -1.0362 -0.9674 0.5916 0.5950 0.6203 0.6208 0.9338 0.9353 3.3981 3.4281 3.6993 3.7249 4.4501 4.4664 5.1480 5.1769 5.7603 5.8024 6.3176 6.3426 6.5551 6.5609 6.9394 6.9475 k = 0.5000 0.5208 0.1057 ( 6844 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4326 -25.4326 -24.6191 -24.6191 -24.6063 -24.6063 -15.7112 -15.7098 -15.2807 -15.2533 -15.1472 -15.1178 -14.8208 -14.8016 -9.3392 -9.3317 -9.1468 -9.1363 -9.0536 -9.0446 -8.6440 -8.5791 -8.4744 -8.4522 -8.3591 -8.3161 -8.2718 -8.2463 -8.2071 -8.1855 -8.1121 -8.0989 -3.7084 -3.6779 -3.1517 -3.1039 -2.5241 -2.4650 -2.3705 -2.3634 -2.2632 -2.2364 -1.9245 -1.8582 -1.6436 -1.6190 -1.3997 -1.3017 -1.0309 -0.9710 0.5985 0.6016 0.6253 0.6257 0.9335 0.9348 3.3865 3.4123 3.6837 3.7056 4.4520 4.4665 5.1564 5.1818 5.7664 5.8036 6.3399 6.3602 6.5613 6.5661 6.9432 6.9524 k = 0.5000 0.5208 0.0881 ( 6840 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4326 -25.4326 -24.6194 -24.6194 -24.6060 -24.6060 -15.7102 -15.7090 -15.2791 -15.2561 -15.1458 -15.1209 -14.8194 -14.8032 -9.3384 -9.3321 -9.1463 -9.1375 -9.0513 -9.0433 -8.6374 -8.5807 -8.4723 -8.4525 -8.3570 -8.3186 -8.2737 -8.2512 -8.2038 -8.1854 -8.1092 -8.0982 -3.7108 -3.6854 -3.1522 -3.1122 -2.5188 -2.4702 -2.3711 -2.3653 -2.2559 -2.2330 -1.9204 -1.8647 -1.6488 -1.6276 -1.3890 -1.3065 -1.0256 -0.9750 0.6046 0.6074 0.6297 0.6300 0.9332 0.9343 3.3769 3.3985 3.6706 3.6888 4.4548 4.4668 5.1640 5.1856 5.7720 5.8040 6.3599 6.3761 6.5666 6.5705 6.9452 6.9568 k = 0.5000 0.5208 0.0705 ( 6844 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4326 -25.4326 -24.6197 -24.6196 -24.6057 -24.6057 -15.7094 -15.7084 -15.2778 -15.2590 -15.1442 -15.1240 -14.8179 -14.8048 -9.3376 -9.3326 -9.1458 -9.1387 -9.0491 -9.0424 -8.6304 -8.5834 -8.4699 -8.4531 -8.3543 -8.3219 -8.2748 -8.2559 -8.2006 -8.1858 -8.1066 -8.0977 -3.7127 -3.6923 -3.1521 -3.1201 -2.5141 -2.4755 -2.3717 -2.3669 -2.2490 -2.2305 -1.9165 -1.8716 -1.6527 -1.6353 -1.3788 -1.3122 -1.0203 -0.9794 0.6099 0.6122 0.6335 0.6337 0.9330 0.9339 3.3693 3.3866 3.6600 3.6745 4.4563 4.4663 5.1706 5.1879 5.7772 5.8033 6.3771 6.3897 6.5709 6.5740 6.9464 6.9587 k = 0.5000 0.5208 0.0528 ( 6846 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4326 -25.4326 -24.6199 -24.6198 -24.6055 -24.6055 -15.7087 -15.7079 -15.2760 -15.2618 -15.1424 -15.1270 -14.8164 -14.8065 -9.3369 -9.3331 -9.1452 -9.1398 -9.0472 -9.0420 -8.6234 -8.5871 -8.4672 -8.4541 -8.3512 -8.3257 -8.2750 -8.2602 -8.1977 -8.1864 -8.1043 -8.0976 -3.7134 -3.6981 -3.1511 -3.1269 -2.5093 -2.4808 -2.3721 -2.3682 -2.2428 -2.2287 -1.9123 -1.8784 -1.6552 -1.6418 -1.3689 -1.3186 -1.0149 -0.9840 0.6142 0.6159 0.6364 0.6366 0.9328 0.9334 3.3638 3.3769 3.6519 3.6628 4.4582 4.4657 5.1764 5.1893 5.7820 5.8020 6.3912 6.4005 6.5743 6.5766 6.9477 6.9583 k = 0.5000 0.5208 0.0352 ( 6842 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4326 -25.4326 -24.6200 -24.6200 -24.6053 -24.6053 -15.7081 -15.7076 -15.2739 -15.2644 -15.1402 -15.1298 -14.8148 -14.8081 -9.3362 -9.3336 -9.1445 -9.1409 -9.0456 -9.0419 -8.6164 -8.5917 -8.4645 -8.4554 -8.3475 -8.3300 -8.2743 -8.2641 -8.1950 -8.1874 -8.1023 -8.0979 -3.7131 -3.7030 -3.1490 -3.1329 -2.5043 -2.4854 -2.3721 -2.3693 -2.2375 -2.2279 -1.9076 -1.8850 -1.6562 -1.6471 -1.3592 -1.3255 -1.0096 -0.9888 0.6174 0.6186 0.6386 0.6387 0.9326 0.9331 3.3605 3.3693 3.6467 3.6539 4.4604 4.4656 5.1813 5.1899 5.7865 5.8001 6.4019 6.4080 6.5768 6.5784 6.9493 6.9569 k = 0.5000 0.5208 0.0176 ( 6850 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4326 -25.4326 -24.6201 -24.6201 -24.6053 -24.6052 -15.7077 -15.7075 -15.2721 -15.2674 -15.1379 -15.1327 -14.8132 -14.8098 -9.3355 -9.3343 -9.1438 -9.1419 -9.0442 -9.0423 -8.6096 -8.5971 -8.4618 -8.4572 -8.3434 -8.3345 -8.2728 -8.2676 -8.1926 -8.1888 -8.1007 -8.0985 -3.7123 -3.7073 -3.1466 -3.1384 -2.5005 -2.4910 -2.3719 -2.3705 -2.2334 -2.2286 -1.9029 -1.8916 -1.6561 -1.6514 -1.3502 -1.3333 -1.0043 -0.9939 0.6194 0.6201 0.6399 0.6400 0.9326 0.9328 3.3594 3.3638 3.6442 3.6478 4.4607 4.4634 5.1849 5.1892 5.7905 5.7973 6.4090 6.4121 6.5785 6.5793 6.9508 6.9548 k = 0.5000 0.5208 0.0000 ( 6854 PWs) bands (ev): -76.1550 -76.1550 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4326 -25.4326 -24.6201 -24.6201 -24.6052 -24.6052 -15.7075 -15.7075 -15.2699 -15.2699 -15.1355 -15.1355 -14.8115 -14.8115 -9.3349 -9.3349 -9.1429 -9.1429 -9.0431 -9.0431 -8.6031 -8.6031 -8.4594 -8.4594 -8.3391 -8.3391 -8.2705 -8.2705 -8.1906 -8.1906 -8.0994 -8.0994 -3.7103 -3.7103 -3.1429 -3.1429 -2.4961 -2.4961 -2.3714 -2.3714 -2.2304 -2.2304 -1.8975 -1.8975 -1.6544 -1.6544 -1.3415 -1.3415 -0.9990 -0.9990 0.6203 0.6203 0.6404 0.6404 0.9326 0.9326 3.3605 3.3605 3.6446 3.6446 4.4617 4.4617 5.1874 5.1874 5.7940 5.7940 6.4124 6.4124 6.5793 6.5793 6.9527 6.9527 k = 0.0000 0.0000 0.6931 ( 6846 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6249 -24.6249 -24.6021 -24.6021 -15.7168 -15.7168 -15.2666 -15.2666 -15.0893 -15.0893 -14.7996 -14.7996 -9.3789 -9.3789 -9.2158 -9.2158 -9.0673 -9.0673 -8.5355 -8.5355 -8.5255 -8.5255 -8.3158 -8.3158 -8.2997 -8.2997 -8.2453 -8.2453 -8.2028 -8.2028 -3.3592 -3.3592 -2.8713 -2.8713 -2.5869 -2.5869 -2.3186 -2.3186 -2.2109 -2.2109 -1.8991 -1.8991 -1.4406 -1.4406 -1.3993 -1.3993 -1.1904 -1.1904 0.4899 0.4899 0.5201 0.5201 0.8430 0.8430 4.1297 4.1297 4.3258 4.3258 4.4073 4.4073 4.8709 4.8709 5.4827 5.4827 5.8798 5.8798 6.0547 6.0547 7.2671 7.2671 k = 0.0125 0.0130 0.6931 ( 6840 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6248 -24.6248 -24.6021 -24.6021 -15.7168 -15.7168 -15.2667 -15.2663 -15.0893 -15.0892 -14.7995 -14.7995 -9.3789 -9.3786 -9.2159 -9.2153 -9.0675 -9.0674 -8.5366 -8.5351 -8.5260 -8.5245 -8.3182 -8.3149 -8.3007 -8.2977 -8.2460 -8.2451 -8.2025 -8.2024 -3.3600 -3.3584 -2.8735 -2.8687 -2.5879 -2.5852 -2.3212 -2.3164 -2.2118 -2.2097 -1.9026 -1.8952 -1.4412 -1.4404 -1.3996 -1.3984 -1.1913 -1.1897 0.4899 0.4899 0.5200 0.5200 0.8430 0.8430 4.1295 4.1312 4.3259 4.3260 4.4071 4.4077 4.8702 4.8719 5.4808 5.4871 5.8779 5.8834 6.0511 6.0596 7.2640 7.2649 k = 0.0250 0.0260 0.6931 ( 6824 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6247 -24.6247 -24.6022 -24.6022 -15.7169 -15.7168 -15.2662 -15.2655 -15.0891 -15.0890 -14.7995 -14.7993 -9.3786 -9.3781 -9.2155 -9.2143 -9.0681 -9.0679 -8.5381 -8.5355 -8.5256 -8.5231 -8.3214 -8.3158 -8.3003 -8.2953 -8.2471 -8.2454 -8.2017 -8.2015 -3.3598 -3.3569 -2.8743 -2.8650 -2.5883 -2.5830 -2.3237 -2.3142 -2.2123 -2.2085 -1.9053 -1.8907 -1.4424 -1.4408 -1.3994 -1.3971 -1.1923 -1.1892 0.4898 0.4899 0.5198 0.5199 0.8429 0.8430 4.1311 4.1342 4.3261 4.3263 4.4073 4.4084 4.8700 4.8733 5.4813 5.4938 5.8778 5.8891 6.0493 6.0660 7.2560 7.2575 k = 0.0375 0.0391 0.6931 ( 6816 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4328 -25.4328 -24.6246 -24.6245 -24.6024 -24.6024 -15.7170 -15.7169 -15.2661 -15.2652 -15.0890 -15.0890 -14.7994 -14.7991 -9.3781 -9.3774 -9.2146 -9.2129 -9.0690 -9.0687 -8.5398 -8.5366 -8.5246 -8.5215 -8.3250 -8.3182 -8.2989 -8.2931 -8.2486 -8.2462 -8.2003 -8.2000 -3.3604 -3.3562 -2.8762 -2.8626 -2.5882 -2.5803 -2.3275 -2.3130 -2.2123 -2.2074 -1.9077 -1.8863 -1.4443 -1.4421 -1.3987 -1.3955 -1.1937 -1.1890 0.4896 0.4897 0.5195 0.5196 0.8427 0.8430 4.1325 4.1365 4.3265 4.3267 4.4073 4.4090 4.8693 4.8742 5.4840 5.5027 5.8785 5.8958 6.0487 6.0730 7.2429 7.2445 k = 0.0500 0.0521 0.6931 ( 6826 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1927 -44.2811 -44.2811 -25.4328 -25.4328 -24.6243 -24.6243 -24.6026 -24.6026 -15.7172 -15.7170 -15.2664 -15.2653 -15.0893 -15.0892 -14.7994 -14.7990 -9.3774 -9.3764 -9.2134 -9.2111 -9.0703 -9.0699 -8.5417 -8.5382 -8.5231 -8.5198 -8.3289 -8.3214 -8.2971 -8.2911 -8.2504 -8.2474 -8.1986 -8.1980 -3.3615 -3.3561 -2.8788 -2.8609 -2.5876 -2.5771 -2.3326 -2.3128 -2.2121 -2.2069 -1.9096 -1.8820 -1.4469 -1.4444 -1.3975 -1.3937 -1.1953 -1.1890 0.4893 0.4894 0.5190 0.5191 0.8425 0.8428 4.1331 4.1382 4.3269 4.3273 4.4073 4.4095 4.8680 4.8744 5.4887 5.5134 5.8795 5.9036 6.0499 6.0806 7.2247 7.2262 k = 0.0625 0.0651 0.6931 ( 6824 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6240 -24.6240 -24.6029 -24.6029 -15.7174 -15.7172 -15.2664 -15.2651 -15.0894 -15.0893 -14.7993 -14.7988 -9.3764 -9.3753 -9.2117 -9.2089 -9.0719 -9.0714 -8.5437 -8.5400 -8.5215 -8.5181 -8.3327 -8.3248 -8.2955 -8.2894 -8.2524 -8.2489 -8.1965 -8.1957 -3.3621 -3.3555 -2.8805 -2.8586 -2.5865 -2.5734 -2.3375 -2.3126 -2.2113 -2.2068 -1.9106 -1.8776 -1.4500 -1.4474 -1.3959 -1.3917 -1.1971 -1.1892 0.4889 0.4892 0.5184 0.5186 0.8423 0.8427 4.1354 4.1413 4.3275 4.3279 4.4075 4.4102 4.8671 4.8749 5.4956 5.5260 5.8815 5.9132 6.0535 6.0896 7.2021 7.2031 k = 0.0750 0.0781 0.6931 ( 6828 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6236 -24.6236 -24.6033 -24.6033 -15.7176 -15.7174 -15.2665 -15.2648 -15.0895 -15.0895 -14.7992 -14.7986 -9.3753 -9.3739 -9.2095 -9.2063 -9.0738 -9.0733 -8.5457 -8.5419 -8.5197 -8.5164 -8.3366 -8.3283 -8.2940 -8.2882 -8.2545 -8.2508 -8.1941 -8.1930 -3.3631 -3.3549 -2.8827 -2.8562 -2.5847 -2.5692 -2.3435 -2.3127 -2.2101 -2.2073 -1.9108 -1.8734 -1.4534 -1.4510 -1.3939 -1.3895 -1.1991 -1.1896 0.4886 0.4888 0.5177 0.5179 0.8421 0.8425 4.1372 4.1448 4.3282 4.3288 4.4080 4.4109 4.8659 4.8755 5.5043 5.5401 5.8841 5.9241 6.0598 6.0998 7.1748 7.1757 k = 0.0875 0.0911 0.6931 ( 6826 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6232 -24.6232 -24.6038 -24.6037 -15.7179 -15.7177 -15.2665 -15.2645 -15.0896 -15.0896 -14.7990 -14.7983 -9.3740 -9.3724 -9.2070 -9.2034 -9.0761 -9.0754 -8.5478 -8.5440 -8.5178 -8.5147 -8.3403 -8.3318 -8.2928 -8.2874 -8.2567 -8.2528 -8.1915 -8.1902 -3.3641 -3.3544 -2.8846 -2.8538 -2.5823 -2.5645 -2.3499 -2.3128 -2.2083 -2.2082 -1.9102 -1.8693 -1.4572 -1.4551 -1.3916 -1.3871 -1.2012 -1.1900 0.4882 0.4884 0.5170 0.5172 0.8418 0.8423 4.1398 4.1490 4.3290 4.3298 4.4086 4.4116 4.8649 4.8761 5.5147 5.5555 5.8873 5.9364 6.0692 6.1114 7.1435 7.1446 k = 0.1000 0.1042 0.6931 ( 6828 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6227 -24.6227 -24.6042 -24.6042 -15.7182 -15.7180 -15.2666 -15.2642 -15.0898 -15.0898 -14.7989 -14.7981 -9.3726 -9.3708 -9.2041 -9.2001 -9.0787 -9.0779 -8.5500 -8.5461 -8.5160 -8.5129 -8.3438 -8.3351 -8.2919 -8.2871 -8.2588 -8.2550 -8.1888 -8.1872 -3.3652 -3.3541 -2.8866 -2.8519 -2.5794 -2.5594 -2.3568 -2.3134 -2.2098 -2.2060 -1.9089 -1.8655 -1.4613 -1.4600 -1.3890 -1.3848 -1.2035 -1.1906 0.4878 0.4880 0.5162 0.5165 0.8415 0.8420 4.1425 4.1529 4.3298 4.3309 4.4092 4.4124 4.8638 4.8764 5.5265 5.5717 5.8908 5.9497 6.0819 6.1248 7.1083 7.1102 k = 0.1125 0.1172 0.6931 ( 6832 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6222 -24.6221 -24.6048 -24.6048 -15.7185 -15.7183 -15.2666 -15.2641 -15.0900 -15.0900 -14.7987 -14.7978 -9.3710 -9.3692 -9.2008 -9.1965 -9.0815 -9.0807 -8.5521 -8.5482 -8.5141 -8.5112 -8.3471 -8.3382 -8.2913 -8.2872 -8.2609 -8.2574 -8.1860 -8.1843 -3.3661 -3.3540 -2.8885 -2.8503 -2.5760 -2.5538 -2.3636 -2.3145 -2.2120 -2.2036 -1.9071 -1.8619 -1.4658 -1.4655 -1.3863 -1.3824 -1.2058 -1.1911 0.4874 0.4876 0.5154 0.5158 0.8412 0.8418 4.1456 4.1569 4.3308 4.3320 4.4100 4.4131 4.8626 4.8765 5.5392 5.5881 5.8945 5.9636 6.0981 6.1401 7.0701 7.0731 k = 0.1250 0.1302 0.6931 ( 6826 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6216 -24.6215 -24.6054 -24.6054 -15.7189 -15.7186 -15.2662 -15.2636 -15.0901 -15.0901 -14.7984 -14.7974 -9.3694 -9.3674 -9.1972 -9.1926 -9.0846 -9.0837 -8.5543 -8.5503 -8.5122 -8.5095 -8.3501 -8.3411 -8.2909 -8.2877 -8.2630 -8.2597 -8.1832 -8.1813 -3.3666 -3.3537 -2.8894 -2.8483 -2.5720 -2.5479 -2.3704 -2.3157 -2.2144 -2.2006 -1.9044 -1.8583 -1.4713 -1.4705 -1.3833 -1.3800 -1.2081 -1.1917 0.4871 0.4872 0.5146 0.5150 0.8409 0.8416 4.1502 4.1612 4.3319 4.3333 4.4111 4.4140 4.8619 4.8768 5.5530 5.6046 5.8995 5.9785 6.1179 6.1580 7.0292 7.0338 k = 0.1375 0.1432 0.6931 ( 6826 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6209 -24.6209 -24.6061 -24.6060 -15.7192 -15.7190 -15.2662 -15.2632 -15.0903 -15.0903 -14.7982 -14.7971 -9.3678 -9.3657 -9.1934 -9.1886 -9.0880 -9.0870 -8.5564 -8.5523 -8.5103 -8.5078 -8.3528 -8.3437 -8.2907 -8.2885 -8.2649 -8.2621 -8.1804 -8.1785 -3.3676 -3.3534 -2.8911 -2.8466 -2.5674 -2.5416 -2.3777 -2.3173 -2.2170 -2.1977 -1.9013 -1.8551 -1.4780 -1.4755 -1.3804 -1.3777 -1.2104 -1.1922 0.4868 0.4869 0.5138 0.5143 0.8406 0.8414 4.1536 4.1659 4.3330 4.3347 4.4124 4.4148 4.8608 4.8770 5.5670 5.6203 5.9051 5.9931 6.1411 6.1786 6.9860 6.9925 k = 0.1500 0.1563 0.6931 ( 6818 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4328 -25.4328 -24.6202 -24.6202 -24.6068 -24.6067 -15.7196 -15.7194 -15.2658 -15.2627 -15.0904 -15.0904 -14.7978 -14.7967 -9.3661 -9.3640 -9.1893 -9.1843 -9.0915 -9.0905 -8.5584 -8.5542 -8.5085 -8.5062 -8.3551 -8.3460 -8.2906 -8.2895 -8.2667 -8.2644 -8.1778 -8.1758 -3.3683 -3.3530 -2.8921 -2.8448 -2.5623 -2.5349 -2.3848 -2.3194 -2.2196 -2.1946 -1.8977 -1.8519 -1.4849 -1.4807 -1.3775 -1.3754 -1.2126 -1.1925 0.4866 0.4866 0.5131 0.5136 0.8404 0.8412 4.1578 4.1710 4.3342 4.3362 4.4140 4.4157 4.8599 4.8772 5.5812 5.6349 5.9119 6.0076 6.1679 6.2022 6.9408 6.9491 k = 0.1625 0.1693 0.6931 ( 6822 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4328 -25.4328 -24.6195 -24.6194 -24.6075 -24.6074 -15.7200 -15.7198 -15.2659 -15.2627 -15.0907 -15.0906 -14.7976 -14.7964 -9.3645 -9.3624 -9.1850 -9.1800 -9.0952 -9.0941 -8.5603 -8.5560 -8.5068 -8.5047 -8.3571 -8.3480 -8.2907 -8.2907 -8.2684 -8.2667 -8.1753 -8.1733 -3.3694 -3.3535 -2.8937 -2.8444 -2.5568 -2.5281 -2.3920 -2.3226 -2.2224 -2.1916 -1.8943 -1.8493 -1.4925 -1.4863 -1.3747 -1.3733 -1.2146 -1.1927 0.4864 0.4865 0.5125 0.5131 0.8402 0.8410 4.1612 4.1743 4.3353 4.3376 4.4154 4.4164 4.8589 4.8767 5.5947 5.6474 5.9191 6.0210 6.1979 6.2289 6.8939 6.9032 k = 0.1750 0.1823 0.6931 ( 6826 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4328 -25.4328 -24.6187 -24.6187 -24.6083 -24.6082 -15.7205 -15.7202 -15.2659 -15.2625 -15.0910 -15.0910 -14.7973 -14.7961 -9.3630 -9.3609 -9.1807 -9.1757 -9.0989 -9.0979 -8.5621 -8.5577 -8.5052 -8.5033 -8.3587 -8.3496 -8.2920 -8.2908 -8.2700 -8.2689 -8.1730 -8.1710 -3.3706 -3.3537 -2.8955 -2.8440 -2.5509 -2.5212 -2.3990 -2.3263 -2.2248 -2.1888 -1.8907 -1.8469 -1.5009 -1.4923 -1.3722 -1.3713 -1.2165 -1.1926 0.4863 0.4865 0.5119 0.5126 0.8401 0.8409 4.1643 4.1779 4.3365 4.3390 4.4170 4.4172 4.8576 4.8762 5.6075 5.6579 5.9272 6.0330 6.2311 6.2587 6.8454 6.8552 k = 0.1875 0.1953 0.6931 ( 6826 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4328 -25.4328 -24.6179 -24.6179 -24.6091 -24.6090 -15.7209 -15.7206 -15.2657 -15.2622 -15.0913 -15.0912 -14.7970 -14.7957 -9.3616 -9.3595 -9.1764 -9.1715 -9.1026 -9.1016 -8.5636 -8.5591 -8.5037 -8.5021 -8.3599 -8.3509 -8.2932 -8.2910 -8.2715 -8.2709 -8.1709 -8.1691 -3.3714 -3.3537 -2.8967 -2.8433 -2.5446 -2.5143 -2.4054 -2.3305 -2.2268 -2.1860 -1.8869 -1.8445 -1.5097 -1.4985 -1.3699 -1.3694 -1.2181 -1.1923 0.4864 0.4867 0.5115 0.5122 0.8400 0.8409 4.1679 4.1818 4.3377 4.3404 4.4178 4.4192 4.8565 4.8756 5.6192 5.6661 5.9356 6.0433 6.2674 6.2919 6.7956 6.8056 k = 0.2000 0.2083 0.6931 ( 6826 PWs) bands (ev): -76.1549 -76.1549 -46.4751 -46.4751 -45.1927 -45.1927 -44.2811 -44.2811 -25.4328 -25.4328 -24.6170 -24.6170 -24.6099 -24.6098 -15.7213 -15.7210 -15.2656 -15.2619 -15.0915 -15.0915 -14.7966 -14.7954 -9.3603 -9.3582 -9.1723 -9.1675 -9.1061 -9.1052 -8.5649 -8.5604 -8.5024 -8.5010 -8.3607 -8.3519 -8.2943 -8.2911 -8.2729 -8.2727 -8.1691 -8.1674 -3.3724 -3.3539 -2.8981 -2.8430 -2.5381 -2.5075 -2.4114 -2.3353 -2.2282 -2.1833 -1.8832 -1.8423 -1.5189 -1.5049 -1.3679 -1.3678 -1.2193 -1.1916 0.4866 0.4871 0.5112 0.5120 0.8399 0.8409 4.1710 4.1855 4.3389 4.3418 4.4184 4.4215 4.8553 4.8749 5.6295 5.6721 5.9437 6.0513 6.3065 6.3280 6.7452 6.7553 k = 0.2125 0.2214 0.6931 ( 6834 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6162 -24.6162 -24.6108 -24.6107 -15.7217 -15.7215 -15.2658 -15.2620 -15.0918 -15.0918 -14.7963 -14.7950 -9.3592 -9.3572 -9.1685 -9.1640 -9.1092 -9.1085 -8.5660 -8.5613 -8.5013 -8.5001 -8.3611 -8.3524 -8.2953 -8.2912 -8.2743 -8.2742 -8.1676 -8.1661 -3.3739 -3.3548 -2.9000 -2.8438 -2.5314 -2.5012 -2.4167 -2.3409 -2.2294 -2.1810 -1.8800 -1.8406 -1.5285 -1.5118 -1.3664 -1.3664 -1.2202 -1.1906 0.4869 0.4876 0.5110 0.5119 0.8400 0.8409 4.1732 4.1877 4.3400 4.3429 4.4189 4.4238 4.8540 4.8737 5.6376 5.6752 5.9500 6.0563 6.3481 6.3671 6.6948 6.7050 k = 0.2250 0.2344 0.6931 ( 6830 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6153 -24.6153 -24.6116 -24.6116 -15.7221 -15.7219 -15.2655 -15.2616 -15.0920 -15.0920 -14.7959 -14.7946 -9.3583 -9.3564 -9.1653 -9.1613 -9.1117 -9.1113 -8.5667 -8.5620 -8.5004 -8.4994 -8.3611 -8.3526 -8.2960 -8.2914 -8.2756 -8.2753 -8.1664 -8.1652 -3.3746 -3.3551 -2.9008 -2.8440 -2.5245 -2.4955 -2.4208 -2.3464 -2.2297 -2.1785 -1.8768 -1.8388 -1.5382 -1.5187 -1.3653 -1.3652 -1.2206 -1.1893 0.4875 0.4883 0.5111 0.5119 0.8401 0.8411 4.1765 4.1905 4.3412 4.3440 4.4197 4.4265 4.8529 4.8727 5.6439 5.6763 5.9548 6.0586 6.3921 6.4087 6.6451 6.6558 k = 0.2375 0.2474 0.6931 ( 6832 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6144 -24.6144 -24.6125 -24.6124 -15.7225 -15.7223 -15.2652 -15.2615 -15.0924 -15.0923 -14.7956 -14.7942 -9.3576 -9.3558 -9.1630 -9.1596 -9.1132 -9.1132 -8.5671 -8.5623 -8.4997 -8.4990 -8.3608 -8.3524 -8.2966 -8.2916 -8.2765 -8.2763 -8.1655 -8.1646 -3.3753 -3.3555 -2.9018 -2.8445 -2.5178 -2.4910 -2.4235 -2.3522 -2.2302 -2.1764 -1.8739 -1.8372 -1.5484 -1.5260 -1.3645 -1.3642 -1.2206 -1.1876 0.4882 0.4891 0.5112 0.5122 0.8403 0.8413 4.1794 4.1924 4.3423 4.3448 4.4205 4.4295 4.8517 4.8713 5.6476 5.6752 5.9566 6.0573 6.4380 6.4526 6.5967 6.6082 k = 0.2500 0.2604 0.6931 ( 6832 PWs) bands (ev): -76.1549 -76.1549 -46.4752 -46.4752 -45.1928 -45.1928 -44.2811 -44.2811 -25.4328 -25.4328 -24.6135 -24.6135 -24.6134 -24.6133 -15.7229 -15.7227 -15.2649 -15.2611 -15.0927 -15.0926 -14.7952 -14.7939 -9.3572 -9.3554 -9.1619 -9.1592 -9.1140 -9.1135 -8.5672 -8.5624 -8.4992 -8.4988 -8.3601 -8.3519 -8.2969 -8.2918 -8.2772 -8.2770 -8.1650 -8.1644 -3.3758 -3.3559 -2.9025 -2.8453 -2.5113 -2.4881 -2.4243 -2.3576 -2.2298 -2.1744 -1.8714 -1.8358 -1.5588 -1.5337 -1.3642 -1.3635 -1.2201 -1.1857 0.4892 0.4902 0.5115 0.5126 0.8406 0.8415 4.1819 4.1945 4.3432 4.3456 4.4213 4.4326 4.8505 4.8699 5.6486 5.6718 5.9552 6.0527 6.4850 6.4975 6.5511 6.5633 Writing output data file K3MnO4.save init_run : 4.77s CPU 11.97s WALL ( 1 calls) electrons : 2438.05s CPU 2451.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.42s CPU 1.76s WALL ( 1 calls) Called by electrons: c_bands : 2438.01s CPU 2451.39s WALL ( 1 calls) v_of_rho : 0.11s CPU 0.95s WALL ( 1 calls) v_h : 0.01s CPU 0.06s WALL ( 1 calls) v_xc : 0.09s CPU 0.65s WALL ( 1 calls) newd : 1.26s CPU 1.49s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.15s WALL ( 297 calls) cegterg : 2335.98s CPU 2346.16s WALL ( 890 calls) Called by sum_band: Called by *egterg: h_psi : 1098.82s CPU 1111.28s WALL ( 15707 calls) s_psi : 87.21s CPU 87.54s WALL ( 15707 calls) g_psi : 1.97s CPU 2.06s WALL ( 14520 calls) cdiaghg : 862.18s CPU 859.51s WALL ( 14817 calls) cegterg:over : 174.34s CPU 171.07s WALL ( 14520 calls) cegterg:upda : 57.64s CPU 61.26s WALL ( 14520 calls) cegterg:last : 43.24s CPU 43.89s WALL ( 2316 calls) Called by h_psi: h_psi:vloc : 922.93s CPU 932.49s WALL ( 15707 calls) h_psi:vnl : 174.57s CPU 176.45s WALL ( 15707 calls) add_vuspsi : 66.61s CPU 71.02s WALL ( 15707 calls) General routines calbec : 107.88s CPU 105.19s WALL ( 15707 calls) fft : 0.31s CPU 1.33s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 789.38s CPU 796.09s WALL ( 2219612 calls) interpolate : 0.09s CPU 0.20s WALL ( 4 calls) davcio : 0.03s CPU 2.08s WALL ( 594 calls) Parallel routines fft_scatter : 469.64s CPU 466.89s WALL ( 2219635 calls) PWSCF : 42m 7.50s CPU 44m44.97s WALL This run was terminated on: 23:59: 0 19Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=