Program PWSCF v.5.4.0 starts on 12Feb2017 at 2:48:13 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Li2CaSiO4.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 75 75 20 2187 2187 318 Max 76 76 21 2189 2189 323 Sum 2721 2721 751 78767 78767 11553 bravais-lattice index = 14 lattice parameter (alat) = 9.1125 a.u. unit-cell volume = 557.4553 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 4 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.112547 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.452285 celldm(5)= -0.452285 celldm(6)= -0.095430 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.095430 0.995436 0.000000 ) a(3) = ( -0.452285 -0.497718 0.740078 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.095868 0.675605 ) b(2) = ( 0.000000 1.004585 0.675605 ) b(3) = ( 0.000000 0.000000 1.351209 ) PseudoPot. # 1 for O read from file: /users/gautes/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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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. # 4 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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) Li 3.00 6.94100 Li( 1.00) Ca 10.00 40.07800 Ca( 1.00) Si 4.00 28.08550 Si( 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 and the name of the first element: E 1 identity -E -1 identity E s 2 inv. 180 deg rotation - cart. axis [0,0,1] -s -2 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 351 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 2) = ( 0.0000000 0.0000000 0.0150134), wk = 0.0028490 k( 3) = ( 0.0000000 0.0000000 0.0300269), wk = 0.0028490 k( 4) = ( 0.0000000 0.0000000 0.0450403), wk = 0.0028490 k( 5) = ( 0.0000000 0.0000000 0.0600537), wk = 0.0028490 k( 6) = ( 0.0000000 0.0000000 0.0750672), wk = 0.0028490 k( 7) = ( 0.0000000 0.0000000 0.0900806), wk = 0.0028490 k( 8) = ( 0.0000000 0.0000000 0.1050941), wk = 0.0028490 k( 9) = ( 0.0000000 0.0000000 0.1201075), wk = 0.0028490 k( 10) = ( 0.0000000 0.0000000 0.1351209), wk = 0.0028490 k( 11) = ( 0.0000000 0.0000000 0.1501344), wk = 0.0028490 k( 12) = ( 0.0000000 0.0000000 0.1651478), wk = 0.0028490 k( 13) = ( 0.0000000 0.0000000 0.1801612), wk = 0.0028490 k( 14) = ( 0.0000000 0.0000000 0.1951747), wk = 0.0028490 k( 15) = ( 0.0000000 0.0000000 0.2101881), wk = 0.0028490 k( 16) = ( 0.0000000 0.0000000 0.2252016), wk = 0.0028490 k( 17) = ( 0.0000000 0.0000000 0.2402150), wk = 0.0028490 k( 18) = ( 0.0000000 0.0000000 0.2552284), wk = 0.0028490 k( 19) = ( 0.0000000 0.0000000 0.2702419), wk = 0.0028490 k( 20) = ( 0.0000000 0.0000000 0.2852553), wk = 0.0028490 k( 21) = ( 0.0000000 0.0000000 0.3002687), wk = 0.0028490 k( 22) = ( 0.0000000 0.0000000 0.3152822), wk = 0.0028490 k( 23) = ( 0.0000000 0.0000000 0.3302956), wk = 0.0028490 k( 24) = ( 0.0000000 0.0000000 0.3453090), wk = 0.0028490 k( 25) = ( 0.0000000 0.0000000 0.3603225), wk = 0.0028490 k( 26) = ( 0.0000000 0.0000000 0.3753359), wk = 0.0028490 k( 27) = ( 0.0000000 0.0000000 0.3903494), wk = 0.0028490 k( 28) = ( 0.0000000 0.0000000 0.4053628), wk = 0.0028490 k( 29) = ( 0.0000000 0.0000000 0.4203762), wk = 0.0028490 k( 30) = ( 0.0000000 0.0000000 0.4353897), wk = 0.0028490 k( 31) = ( 0.0000000 0.0000000 0.4504031), wk = 0.0028490 k( 32) = ( 0.0000000 0.0000000 0.4654165), wk = 0.0028490 k( 33) = ( 0.0000000 0.0000000 0.4804300), wk = 0.0028490 k( 34) = ( 0.0000000 0.0000000 0.4954434), wk = 0.0028490 k( 35) = ( 0.0000000 0.0000000 0.5104568), wk = 0.0028490 k( 36) = ( 0.0000000 0.0000000 0.5254703), wk = 0.0028490 k( 37) = ( 0.0000000 0.0000000 0.5404837), wk = 0.0028490 k( 38) = ( 0.0000000 0.0000000 0.5554972), wk = 0.0028490 k( 39) = ( 0.0000000 0.0000000 0.5705106), wk = 0.0028490 k( 40) = ( 0.0000000 0.0000000 0.5855240), wk = 0.0028490 k( 41) = ( 0.0000000 0.0000000 0.6005375), wk = 0.0028490 k( 42) = ( 0.0000000 0.0000000 0.6155509), wk = 0.0028490 k( 43) = ( 0.0000000 0.0000000 0.6305643), wk = 0.0028490 k( 44) = ( 0.0000000 0.0000000 0.6455778), wk = 0.0028490 k( 45) = ( 0.0000000 0.0000000 0.6605912), wk = 0.0028490 k( 46) = ( 0.0000000 0.0000000 0.6756046), wk = 0.0028490 k( 47) = ( 0.0000000 0.0000000 0.6756046), wk = 0.0028490 k( 48) = ( -0.0112129 0.0101894 0.6756046), wk = 0.0028490 k( 49) = ( -0.0224259 0.0203788 0.6756046), wk = 0.0028490 k( 50) = ( -0.0336388 0.0305681 0.6756046), wk = 0.0028490 k( 51) = ( -0.0448517 0.0407575 0.6756046), wk = 0.0028490 k( 52) = ( -0.0560646 0.0509469 0.6756046), wk = 0.0028490 k( 53) = ( -0.0672776 0.0611363 0.6756046), wk = 0.0028490 k( 54) = ( -0.0784905 0.0713256 0.6756046), wk = 0.0028490 k( 55) = ( -0.0897034 0.0815150 0.6756046), wk = 0.0028490 k( 56) = ( -0.1009163 0.0917044 0.6756046), wk = 0.0028490 k( 57) = ( -0.1121293 0.1018938 0.6756046), wk = 0.0028490 k( 58) = ( -0.1233422 0.1120831 0.6756046), wk = 0.0028490 k( 59) = ( -0.1345551 0.1222725 0.6756046), wk = 0.0028490 k( 60) = ( -0.1457680 0.1324619 0.6756046), wk = 0.0028490 k( 61) = ( -0.1569810 0.1426513 0.6756046), wk = 0.0028490 k( 62) = ( -0.1681939 0.1528406 0.6756046), wk = 0.0028490 k( 63) = ( -0.1794068 0.1630300 0.6756046), wk = 0.0028490 k( 64) = ( -0.1906197 0.1732194 0.6756046), wk = 0.0028490 k( 65) = ( -0.2018327 0.1834088 0.6756046), wk = 0.0028490 k( 66) = ( -0.2130456 0.1935982 0.6756046), wk = 0.0028490 k( 67) = ( -0.2242585 0.2037875 0.6756046), wk = 0.0028490 k( 68) = ( -0.2354714 0.2139769 0.6756046), wk = 0.0028490 k( 69) = ( -0.2466844 0.2241663 0.6756046), wk = 0.0028490 k( 70) = ( -0.2578973 0.2343557 0.6756046), wk = 0.0028490 k( 71) = ( -0.2691102 0.2445450 0.6756046), wk = 0.0028490 k( 72) = ( -0.2803232 0.2547344 0.6756046), wk = 0.0028490 k( 73) = ( -0.2915361 0.2649238 0.6756046), wk = 0.0028490 k( 74) = ( -0.3027490 0.2751132 0.6756046), wk = 0.0028490 k( 75) = ( -0.3027490 0.2751132 0.6756046), wk = 0.0028490 k( 76) = ( -0.3103356 0.2820072 0.6653536), wk = 0.0028490 k( 77) = ( -0.3179222 0.2889013 0.6551025), wk = 0.0028490 k( 78) = ( -0.3255087 0.2957953 0.6448515), wk = 0.0028490 k( 79) = ( -0.3330953 0.3026894 0.6346004), wk = 0.0028490 k( 80) = ( -0.3406819 0.3095834 0.6243494), wk = 0.0028490 k( 81) = ( -0.3482685 0.3164775 0.6140983), wk = 0.0028490 k( 82) = ( -0.3558550 0.3233715 0.6038473), wk = 0.0028490 k( 83) = ( -0.3634416 0.3302656 0.5935962), wk = 0.0028490 k( 84) = ( -0.3710282 0.3371596 0.5833452), wk = 0.0028490 k( 85) = ( -0.3786148 0.3440537 0.5730941), wk = 0.0028490 k( 86) = ( -0.3862013 0.3509477 0.5628431), wk = 0.0028490 k( 87) = ( -0.3937879 0.3578418 0.5525920), wk = 0.0028490 k( 88) = ( -0.4013745 0.3647358 0.5423410), wk = 0.0028490 k( 89) = ( -0.4013745 0.3647358 0.5423410), wk = 0.0028490 k( 90) = ( -0.3933470 0.3574411 0.5314941), wk = 0.0028490 k( 91) = ( -0.3853195 0.3501464 0.5206473), wk = 0.0028490 k( 92) = ( -0.3772920 0.3428517 0.5098005), wk = 0.0028490 k( 93) = ( -0.3692645 0.3355570 0.4989537), wk = 0.0028490 k( 94) = ( -0.3612371 0.3282622 0.4881069), wk = 0.0028490 k( 95) = ( -0.3532096 0.3209675 0.4772600), wk = 0.0028490 k( 96) = ( -0.3451821 0.3136728 0.4664132), wk = 0.0028490 k( 97) = ( -0.3371546 0.3063781 0.4555664), wk = 0.0028490 k( 98) = ( -0.3291271 0.2990834 0.4447196), wk = 0.0028490 k( 99) = ( -0.3210996 0.2917887 0.4338728), wk = 0.0028490 k( 100) = ( -0.3130721 0.2844939 0.4230259), wk = 0.0028490 k( 101) = ( -0.3050446 0.2771992 0.4121791), wk = 0.0028490 k( 102) = ( -0.2970171 0.2699045 0.4013323), wk = 0.0028490 k( 103) = ( -0.2889896 0.2626098 0.3904855), wk = 0.0028490 k( 104) = ( -0.2809622 0.2553151 0.3796387), wk = 0.0028490 k( 105) = ( -0.2729347 0.2480204 0.3687918), wk = 0.0028490 k( 106) = ( -0.2649072 0.2407256 0.3579450), wk = 0.0028490 k( 107) = ( -0.2568797 0.2334309 0.3470982), wk = 0.0028490 k( 108) = ( -0.2488522 0.2261362 0.3362514), wk = 0.0028490 k( 109) = ( -0.2408247 0.2188415 0.3254046), wk = 0.0028490 k( 110) = ( -0.2327972 0.2115468 0.3145578), wk = 0.0028490 k( 111) = ( -0.2247697 0.2042521 0.3037109), wk = 0.0028490 k( 112) = ( -0.2167422 0.1969573 0.2928641), wk = 0.0028490 k( 113) = ( -0.2087147 0.1896626 0.2820173), wk = 0.0028490 k( 114) = ( -0.2006873 0.1823679 0.2711705), wk = 0.0028490 k( 115) = ( -0.1926598 0.1750732 0.2603237), wk = 0.0028490 k( 116) = ( -0.1846323 0.1677785 0.2494768), wk = 0.0028490 k( 117) = ( -0.1766048 0.1604838 0.2386300), wk = 0.0028490 k( 118) = ( -0.1685773 0.1531890 0.2277832), wk = 0.0028490 k( 119) = ( -0.1605498 0.1458943 0.2169364), wk = 0.0028490 k( 120) = ( -0.1525223 0.1385996 0.2060896), wk = 0.0028490 k( 121) = ( -0.1444948 0.1313049 0.1952427), wk = 0.0028490 k( 122) = ( -0.1364673 0.1240102 0.1843959), wk = 0.0028490 k( 123) = ( -0.1284398 0.1167155 0.1735491), wk = 0.0028490 k( 124) = ( -0.1204124 0.1094207 0.1627023), wk = 0.0028490 k( 125) = ( -0.1123849 0.1021260 0.1518555), wk = 0.0028490 k( 126) = ( -0.1043574 0.0948313 0.1410086), wk = 0.0028490 k( 127) = ( -0.0963299 0.0875366 0.1301618), wk = 0.0028490 k( 128) = ( -0.0883024 0.0802419 0.1193150), wk = 0.0028490 k( 129) = ( -0.0802749 0.0729472 0.1084682), wk = 0.0028490 k( 130) = ( -0.0722474 0.0656524 0.0976214), wk = 0.0028490 k( 131) = ( -0.0642199 0.0583577 0.0867746), wk = 0.0028490 k( 132) = ( -0.0561924 0.0510630 0.0759277), wk = 0.0028490 k( 133) = ( -0.0481649 0.0437683 0.0650809), wk = 0.0028490 k( 134) = ( -0.0401374 0.0364736 0.0542341), wk = 0.0028490 k( 135) = ( -0.0321100 0.0291789 0.0433873), wk = 0.0028490 k( 136) = ( -0.0240825 0.0218841 0.0325405), wk = 0.0028490 k( 137) = ( -0.0160550 0.0145894 0.0216936), wk = 0.0028490 k( 138) = ( -0.0080275 0.0072947 0.0108468), wk = 0.0028490 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 141) = ( 0.0102041 0.0112291 0.0000000), wk = 0.0028490 k( 142) = ( 0.0204082 0.0224582 0.0000000), wk = 0.0028490 k( 143) = ( 0.0306122 0.0336873 0.0000000), wk = 0.0028490 k( 144) = ( 0.0408163 0.0449164 0.0000000), wk = 0.0028490 k( 145) = ( 0.0510204 0.0561455 0.0000000), wk = 0.0028490 k( 146) = ( 0.0612245 0.0673747 0.0000000), wk = 0.0028490 k( 147) = ( 0.0714286 0.0786038 0.0000000), wk = 0.0028490 k( 148) = ( 0.0816327 0.0898329 0.0000000), wk = 0.0028490 k( 149) = ( 0.0918367 0.1010620 0.0000000), wk = 0.0028490 k( 150) = ( 0.1020408 0.1122911 0.0000000), wk = 0.0028490 k( 151) = ( 0.1122449 0.1235202 0.0000000), wk = 0.0028490 k( 152) = ( 0.1224490 0.1347493 0.0000000), wk = 0.0028490 k( 153) = ( 0.1326531 0.1459784 0.0000000), wk = 0.0028490 k( 154) = ( 0.1428571 0.1572075 0.0000000), wk = 0.0028490 k( 155) = ( 0.1530612 0.1684366 0.0000000), wk = 0.0028490 k( 156) = ( 0.1632653 0.1796657 0.0000000), wk = 0.0028490 k( 157) = ( 0.1734694 0.1908948 0.0000000), wk = 0.0028490 k( 158) = ( 0.1836735 0.2021240 0.0000000), wk = 0.0028490 k( 159) = ( 0.1938776 0.2133531 0.0000000), wk = 0.0028490 k( 160) = ( 0.2040816 0.2245822 0.0000000), wk = 0.0028490 k( 161) = ( 0.2142857 0.2358113 0.0000000), wk = 0.0028490 k( 162) = ( 0.2244898 0.2470404 0.0000000), wk = 0.0028490 k( 163) = ( 0.2346939 0.2582695 0.0000000), wk = 0.0028490 k( 164) = ( 0.2448980 0.2694986 0.0000000), wk = 0.0028490 k( 165) = ( 0.2551020 0.2807277 0.0000000), wk = 0.0028490 k( 166) = ( 0.2653061 0.2919568 0.0000000), wk = 0.0028490 k( 167) = ( 0.2755102 0.3031859 0.0000000), wk = 0.0028490 k( 168) = ( 0.2857143 0.3144150 0.0000000), wk = 0.0028490 k( 169) = ( 0.2959184 0.3256442 0.0000000), wk = 0.0028490 k( 170) = ( 0.3061224 0.3368733 0.0000000), wk = 0.0028490 k( 171) = ( 0.3163265 0.3481024 0.0000000), wk = 0.0028490 k( 172) = ( 0.3265306 0.3593315 0.0000000), wk = 0.0028490 k( 173) = ( 0.3367347 0.3705606 0.0000000), wk = 0.0028490 k( 174) = ( 0.3469388 0.3817897 0.0000000), wk = 0.0028490 k( 175) = ( 0.3571429 0.3930188 0.0000000), wk = 0.0028490 k( 176) = ( 0.3673469 0.4042479 0.0000000), wk = 0.0028490 k( 177) = ( 0.3775510 0.4154770 0.0000000), wk = 0.0028490 k( 178) = ( 0.3877551 0.4267061 0.0000000), wk = 0.0028490 k( 179) = ( 0.3979592 0.4379352 0.0000000), wk = 0.0028490 k( 180) = ( 0.4081633 0.4491643 0.0000000), wk = 0.0028490 k( 181) = ( 0.4183674 0.4603935 0.0000000), wk = 0.0028490 k( 182) = ( 0.4285714 0.4716226 0.0000000), wk = 0.0028490 k( 183) = ( 0.4387755 0.4828517 0.0000000), wk = 0.0028490 k( 184) = ( 0.4489796 0.4940808 0.0000000), wk = 0.0028490 k( 185) = ( 0.4591837 0.5053099 0.0000000), wk = 0.0028490 k( 186) = ( 0.4693878 0.5165390 0.0000000), wk = 0.0028490 k( 187) = ( 0.4795918 0.5277681 0.0000000), wk = 0.0028490 k( 188) = ( 0.4897959 0.5389972 0.0000000), wk = 0.0028490 k( 189) = ( 0.5000000 0.5502263 0.0000000), wk = 0.0028490 k( 190) = ( 0.5000000 0.5502263 0.0000000), wk = 0.0028490 k( 191) = ( 0.4924134 0.5571204 0.0102511), wk = 0.0028490 k( 192) = ( 0.4848268 0.5640144 0.0205021), wk = 0.0028490 k( 193) = ( 0.4772403 0.5709085 0.0307532), wk = 0.0028490 k( 194) = ( 0.4696537 0.5778025 0.0410042), wk = 0.0028490 k( 195) = ( 0.4620671 0.5846966 0.0512553), wk = 0.0028490 k( 196) = ( 0.4544805 0.5915906 0.0615063), wk = 0.0028490 k( 197) = ( 0.4468940 0.5984847 0.0717574), wk = 0.0028490 k( 198) = ( 0.4393074 0.6053787 0.0820084), wk = 0.0028490 k( 199) = ( 0.4317208 0.6122728 0.0922595), wk = 0.0028490 k( 200) = ( 0.4241342 0.6191668 0.1025105), wk = 0.0028490 k( 201) = ( 0.4165477 0.6260609 0.1127616), wk = 0.0028490 k( 202) = ( 0.4089611 0.6329549 0.1230126), wk = 0.0028490 k( 203) = ( 0.4013745 0.6398490 0.1332637), wk = 0.0028490 k( 204) = ( 0.4013745 0.6398490 0.1332637), wk = 0.0028490 k( 205) = ( 0.3884269 0.6354117 0.1398617), wk = 0.0028490 k( 206) = ( 0.3754794 0.6309744 0.1464597), wk = 0.0028490 k( 207) = ( 0.3625318 0.6265371 0.1530577), wk = 0.0028490 k( 208) = ( 0.3495842 0.6220998 0.1596558), wk = 0.0028490 k( 209) = ( 0.3366367 0.6176624 0.1662538), wk = 0.0028490 k( 210) = ( 0.3236891 0.6132251 0.1728518), wk = 0.0028490 k( 211) = ( 0.3107415 0.6087878 0.1794498), wk = 0.0028490 k( 212) = ( 0.2977940 0.6043505 0.1860479), wk = 0.0028490 k( 213) = ( 0.2848464 0.5999132 0.1926459), wk = 0.0028490 k( 214) = ( 0.2718989 0.5954759 0.1992439), wk = 0.0028490 k( 215) = ( 0.2589513 0.5910386 0.2058419), wk = 0.0028490 k( 216) = ( 0.2460037 0.5866013 0.2124399), wk = 0.0028490 k( 217) = ( 0.2330562 0.5821640 0.2190380), wk = 0.0028490 k( 218) = ( 0.2201086 0.5777267 0.2256360), wk = 0.0028490 k( 219) = ( 0.2071610 0.5732893 0.2322340), wk = 0.0028490 k( 220) = ( 0.1942135 0.5688520 0.2388320), wk = 0.0028490 k( 221) = ( 0.1812659 0.5644147 0.2454300), wk = 0.0028490 k( 222) = ( 0.1683183 0.5599774 0.2520281), wk = 0.0028490 k( 223) = ( 0.1553708 0.5555401 0.2586261), wk = 0.0028490 k( 224) = ( 0.1424232 0.5511028 0.2652241), wk = 0.0028490 k( 225) = ( 0.1294756 0.5466655 0.2718221), wk = 0.0028490 k( 226) = ( 0.1165281 0.5422282 0.2784201), wk = 0.0028490 k( 227) = ( 0.1035805 0.5377909 0.2850182), wk = 0.0028490 k( 228) = ( 0.0906330 0.5333536 0.2916162), wk = 0.0028490 k( 229) = ( 0.0776854 0.5289163 0.2982142), wk = 0.0028490 k( 230) = ( 0.0647378 0.5244790 0.3048122), wk = 0.0028490 k( 231) = ( 0.0517903 0.5200416 0.3114102), wk = 0.0028490 k( 232) = ( 0.0388427 0.5156043 0.3180083), wk = 0.0028490 k( 233) = ( 0.0258951 0.5111670 0.3246063), wk = 0.0028490 k( 234) = ( 0.0129476 0.5067297 0.3312043), wk = 0.0028490 k( 235) = ( 0.0000000 0.5022924 0.3378023), wk = 0.0028490 k( 236) = ( 0.0000000 0.5022924 0.3378023), wk = 0.0028490 k( 237) = ( 0.0078125 0.4951931 0.3483586), wk = 0.0028490 k( 238) = ( 0.0156250 0.4880937 0.3589150), wk = 0.0028490 k( 239) = ( 0.0234375 0.4809944 0.3694713), wk = 0.0028490 k( 240) = ( 0.0312500 0.4738950 0.3800276), wk = 0.0028490 k( 241) = ( 0.0390625 0.4667956 0.3905839), wk = 0.0028490 k( 242) = ( 0.0468750 0.4596963 0.4011403), wk = 0.0028490 k( 243) = ( 0.0546875 0.4525969 0.4116966), wk = 0.0028490 k( 244) = ( 0.0625000 0.4454976 0.4222529), wk = 0.0028490 k( 245) = ( 0.0703125 0.4383982 0.4328092), wk = 0.0028490 k( 246) = ( 0.0781250 0.4312989 0.4433655), wk = 0.0028490 k( 247) = ( 0.0859375 0.4241995 0.4539219), wk = 0.0028490 k( 248) = ( 0.0937500 0.4171002 0.4644782), wk = 0.0028490 k( 249) = ( 0.1015625 0.4100008 0.4750345), wk = 0.0028490 k( 250) = ( 0.1093750 0.4029015 0.4855908), wk = 0.0028490 k( 251) = ( 0.1171875 0.3958021 0.4961472), wk = 0.0028490 k( 252) = ( 0.1250000 0.3887028 0.5067035), wk = 0.0028490 k( 253) = ( 0.1328125 0.3816034 0.5172598), wk = 0.0028490 k( 254) = ( 0.1406250 0.3745041 0.5278161), wk = 0.0028490 k( 255) = ( 0.1484375 0.3674047 0.5383725), wk = 0.0028490 k( 256) = ( 0.1562500 0.3603054 0.5489288), wk = 0.0028490 k( 257) = ( 0.1640625 0.3532060 0.5594851), wk = 0.0028490 k( 258) = ( 0.1718750 0.3461067 0.5700414), wk = 0.0028490 k( 259) = ( 0.1796875 0.3390073 0.5805977), wk = 0.0028490 k( 260) = ( 0.1875000 0.3319080 0.5911541), wk = 0.0028490 k( 261) = ( 0.1953125 0.3248086 0.6017104), wk = 0.0028490 k( 262) = ( 0.2031250 0.3177093 0.6122667), wk = 0.0028490 k( 263) = ( 0.2109375 0.3106099 0.6228230), wk = 0.0028490 k( 264) = ( 0.2187500 0.3035106 0.6333794), wk = 0.0028490 k( 265) = ( 0.2265625 0.2964112 0.6439357), wk = 0.0028490 k( 266) = ( 0.2343750 0.2893119 0.6544920), wk = 0.0028490 k( 267) = ( 0.2421875 0.2822125 0.6650483), wk = 0.0028490 k( 268) = ( 0.2500000 0.2751132 0.6756046), wk = 0.0028490 k( 269) = ( 0.2500000 0.2751132 0.6756046), wk = 0.0028490 k( 270) = ( 0.2567568 0.2825487 0.6645485), wk = 0.0028490 k( 271) = ( 0.2635135 0.2899841 0.6534924), wk = 0.0028490 k( 272) = ( 0.2702703 0.2974196 0.6424362), wk = 0.0028490 k( 273) = ( 0.2770270 0.3048551 0.6313801), wk = 0.0028490 k( 274) = ( 0.2837838 0.3122906 0.6203239), wk = 0.0028490 k( 275) = ( 0.2905405 0.3197261 0.6092678), wk = 0.0028490 k( 276) = ( 0.2972973 0.3271616 0.5982116), wk = 0.0028490 k( 277) = ( 0.3040541 0.3345971 0.5871555), wk = 0.0028490 k( 278) = ( 0.3108108 0.3420326 0.5760994), wk = 0.0028490 k( 279) = ( 0.3175676 0.3494681 0.5650432), wk = 0.0028490 k( 280) = ( 0.3243243 0.3569036 0.5539871), wk = 0.0028490 k( 281) = ( 0.3310811 0.3643390 0.5429309), wk = 0.0028490 k( 282) = ( 0.3378378 0.3717745 0.5318748), wk = 0.0028490 k( 283) = ( 0.3445946 0.3792100 0.5208186), wk = 0.0028490 k( 284) = ( 0.3513514 0.3866455 0.5097625), wk = 0.0028490 k( 285) = ( 0.3581081 0.3940810 0.4987064), wk = 0.0028490 k( 286) = ( 0.3648649 0.4015165 0.4876502), wk = 0.0028490 k( 287) = ( 0.3716216 0.4089520 0.4765941), wk = 0.0028490 k( 288) = ( 0.3783784 0.4163875 0.4655379), wk = 0.0028490 k( 289) = ( 0.3851351 0.4238230 0.4544818), wk = 0.0028490 k( 290) = ( 0.3918919 0.4312585 0.4434256), wk = 0.0028490 k( 291) = ( 0.3986486 0.4386940 0.4323695), wk = 0.0028490 k( 292) = ( 0.4054054 0.4461295 0.4213134), wk = 0.0028490 k( 293) = ( 0.4121622 0.4535649 0.4102572), wk = 0.0028490 k( 294) = ( 0.4189189 0.4610004 0.3992011), wk = 0.0028490 k( 295) = ( 0.4256757 0.4684359 0.3881449), wk = 0.0028490 k( 296) = ( 0.4324324 0.4758714 0.3770888), wk = 0.0028490 k( 297) = ( 0.4391892 0.4833069 0.3660327), wk = 0.0028490 k( 298) = ( 0.4459459 0.4907424 0.3549765), wk = 0.0028490 k( 299) = ( 0.4527027 0.4981779 0.3439204), wk = 0.0028490 k( 300) = ( 0.4594595 0.5056134 0.3328642), wk = 0.0028490 k( 301) = ( 0.4662162 0.5130489 0.3218081), wk = 0.0028490 k( 302) = ( 0.4729730 0.5204844 0.3107519), wk = 0.0028490 k( 303) = ( 0.4797297 0.5279198 0.2996958), wk = 0.0028490 k( 304) = ( 0.4864865 0.5353553 0.2886397), wk = 0.0028490 k( 305) = ( 0.4932432 0.5427908 0.2775835), wk = 0.0028490 k( 306) = ( 0.5000000 0.5502263 0.2665274), wk = 0.0028490 k( 307) = ( 0.5000000 0.5502263 0.2665274), wk = 0.0028490 k( 308) = ( 0.5000000 0.5502263 0.2517203), wk = 0.0028490 k( 309) = ( 0.5000000 0.5502263 0.2369132), wk = 0.0028490 k( 310) = ( 0.5000000 0.5502263 0.2221061), wk = 0.0028490 k( 311) = ( 0.5000000 0.5502263 0.2072991), wk = 0.0028490 k( 312) = ( 0.5000000 0.5502263 0.1924920), wk = 0.0028490 k( 313) = ( 0.5000000 0.5502263 0.1776849), wk = 0.0028490 k( 314) = ( 0.5000000 0.5502263 0.1628778), wk = 0.0028490 k( 315) = ( 0.5000000 0.5502263 0.1480708), wk = 0.0028490 k( 316) = ( 0.5000000 0.5502263 0.1332637), wk = 0.0028490 k( 317) = ( 0.5000000 0.5502263 0.1184566), wk = 0.0028490 k( 318) = ( 0.5000000 0.5502263 0.1036495), wk = 0.0028490 k( 319) = ( 0.5000000 0.5502263 0.0888425), wk = 0.0028490 k( 320) = ( 0.5000000 0.5502263 0.0740354), wk = 0.0028490 k( 321) = ( 0.5000000 0.5502263 0.0592283), wk = 0.0028490 k( 322) = ( 0.5000000 0.5502263 0.0444212), wk = 0.0028490 k( 323) = ( 0.5000000 0.5502263 0.0296142), wk = 0.0028490 k( 324) = ( 0.5000000 0.5502263 0.0148071), wk = 0.0028490 k( 325) = ( 0.5000000 0.5502263 0.0000000), wk = 0.0028490 k( 326) = ( 0.0000000 0.0000000 0.6756046), wk = 0.0028490 k( 327) = ( 0.0100000 0.0110045 0.6756046), wk = 0.0028490 k( 328) = ( 0.0200000 0.0220091 0.6756046), wk = 0.0028490 k( 329) = ( 0.0300000 0.0330136 0.6756046), wk = 0.0028490 k( 330) = ( 0.0400000 0.0440181 0.6756046), wk = 0.0028490 k( 331) = ( 0.0500000 0.0550226 0.6756046), wk = 0.0028490 k( 332) = ( 0.0600000 0.0660272 0.6756046), wk = 0.0028490 k( 333) = ( 0.0700000 0.0770317 0.6756046), wk = 0.0028490 k( 334) = ( 0.0800000 0.0880362 0.6756046), wk = 0.0028490 k( 335) = ( 0.0900000 0.0990407 0.6756046), wk = 0.0028490 k( 336) = ( 0.1000000 0.1100453 0.6756046), wk = 0.0028490 k( 337) = ( 0.1100000 0.1210498 0.6756046), wk = 0.0028490 k( 338) = ( 0.1200000 0.1320543 0.6756046), wk = 0.0028490 k( 339) = ( 0.1300000 0.1430588 0.6756046), wk = 0.0028490 k( 340) = ( 0.1400000 0.1540634 0.6756046), wk = 0.0028490 k( 341) = ( 0.1500000 0.1650679 0.6756046), wk = 0.0028490 k( 342) = ( 0.1600000 0.1760724 0.6756046), wk = 0.0028490 k( 343) = ( 0.1700000 0.1870769 0.6756046), wk = 0.0028490 k( 344) = ( 0.1800000 0.1980815 0.6756046), wk = 0.0028490 k( 345) = ( 0.1900000 0.2090860 0.6756046), wk = 0.0028490 k( 346) = ( 0.2000000 0.2200905 0.6756046), wk = 0.0028490 k( 347) = ( 0.2100000 0.2310951 0.6756046), wk = 0.0028490 k( 348) = ( 0.2200000 0.2420996 0.6756046), wk = 0.0028490 k( 349) = ( 0.2300000 0.2531041 0.6756046), wk = 0.0028490 k( 350) = ( 0.2400000 0.2641086 0.6756046), wk = 0.0028490 k( 351) = ( 0.2500000 0.2751132 0.6756046), wk = 0.0028490 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 2) = ( 0.0000000 0.0000000 0.0111111), wk = 0.0028490 k( 3) = ( 0.0000000 0.0000000 0.0222222), wk = 0.0028490 k( 4) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0028490 k( 5) = ( 0.0000000 0.0000000 0.0444444), wk = 0.0028490 k( 6) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0028490 k( 7) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0028490 k( 8) = ( 0.0000000 0.0000000 0.0777778), wk = 0.0028490 k( 9) = ( 0.0000000 0.0000000 0.0888889), wk = 0.0028490 k( 10) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028490 k( 11) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0028490 k( 12) = ( 0.0000000 0.0000000 0.1222222), wk = 0.0028490 k( 13) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0028490 k( 14) = ( 0.0000000 0.0000000 0.1444444), wk = 0.0028490 k( 15) = ( 0.0000000 0.0000000 0.1555556), wk = 0.0028490 k( 16) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028490 k( 17) = ( 0.0000000 0.0000000 0.1777778), wk = 0.0028490 k( 18) = ( 0.0000000 0.0000000 0.1888889), wk = 0.0028490 k( 19) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028490 k( 20) = ( 0.0000000 0.0000000 0.2111111), wk = 0.0028490 k( 21) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0028490 k( 22) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0028490 k( 23) = ( 0.0000000 0.0000000 0.2444444), wk = 0.0028490 k( 24) = ( 0.0000000 0.0000000 0.2555556), wk = 0.0028490 k( 25) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0028490 k( 26) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0028490 k( 27) = ( 0.0000000 0.0000000 0.2888889), wk = 0.0028490 k( 28) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028490 k( 29) = ( 0.0000000 0.0000000 0.3111111), wk = 0.0028490 k( 30) = ( 0.0000000 0.0000000 0.3222222), wk = 0.0028490 k( 31) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028490 k( 32) = ( 0.0000000 0.0000000 0.3444444), wk = 0.0028490 k( 33) = ( 0.0000000 0.0000000 0.3555556), wk = 0.0028490 k( 34) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0028490 k( 35) = ( 0.0000000 0.0000000 0.3777778), wk = 0.0028490 k( 36) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0028490 k( 37) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028490 k( 38) = ( 0.0000000 0.0000000 0.4111111), wk = 0.0028490 k( 39) = ( 0.0000000 0.0000000 0.4222222), wk = 0.0028490 k( 40) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0028490 k( 41) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0028490 k( 42) = ( 0.0000000 0.0000000 0.4555556), wk = 0.0028490 k( 43) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0028490 k( 44) = ( 0.0000000 0.0000000 0.4777778), wk = 0.0028490 k( 45) = ( 0.0000000 0.0000000 0.4888889), wk = 0.0028490 k( 46) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028490 k( 47) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028490 k( 48) = ( -0.0112129 0.0112129 0.5000000), wk = 0.0028490 k( 49) = ( -0.0224259 0.0224259 0.5000000), wk = 0.0028490 k( 50) = ( -0.0336388 0.0336388 0.5000000), wk = 0.0028490 k( 51) = ( -0.0448517 0.0448517 0.5000000), wk = 0.0028490 k( 52) = ( -0.0560646 0.0560646 0.5000000), wk = 0.0028490 k( 53) = ( -0.0672776 0.0672776 0.5000000), wk = 0.0028490 k( 54) = ( -0.0784905 0.0784905 0.5000000), wk = 0.0028490 k( 55) = ( -0.0897034 0.0897034 0.5000000), wk = 0.0028490 k( 56) = ( -0.1009163 0.1009163 0.5000000), wk = 0.0028490 k( 57) = ( -0.1121293 0.1121293 0.5000000), wk = 0.0028490 k( 58) = ( -0.1233422 0.1233422 0.5000000), wk = 0.0028490 k( 59) = ( -0.1345551 0.1345551 0.5000000), wk = 0.0028490 k( 60) = ( -0.1457680 0.1457680 0.5000000), wk = 0.0028490 k( 61) = ( -0.1569810 0.1569810 0.5000000), wk = 0.0028490 k( 62) = ( -0.1681939 0.1681939 0.5000000), wk = 0.0028490 k( 63) = ( -0.1794068 0.1794068 0.5000000), wk = 0.0028490 k( 64) = ( -0.1906197 0.1906197 0.5000000), wk = 0.0028490 k( 65) = ( -0.2018327 0.2018327 0.5000000), wk = 0.0028490 k( 66) = ( -0.2130456 0.2130456 0.5000000), wk = 0.0028490 k( 67) = ( -0.2242585 0.2242585 0.5000000), wk = 0.0028490 k( 68) = ( -0.2354714 0.2354714 0.5000000), wk = 0.0028490 k( 69) = ( -0.2466844 0.2466844 0.5000000), wk = 0.0028490 k( 70) = ( -0.2578973 0.2578973 0.5000000), wk = 0.0028490 k( 71) = ( -0.2691102 0.2691102 0.5000000), wk = 0.0028490 k( 72) = ( -0.2803232 0.2803232 0.5000000), wk = 0.0028490 k( 73) = ( -0.2915361 0.2915361 0.5000000), wk = 0.0028490 k( 74) = ( -0.3027490 0.3027490 0.5000000), wk = 0.0028490 k( 75) = ( -0.3027490 0.3027490 0.5000000), wk = 0.0028490 k( 76) = ( -0.3103356 0.3103356 0.4924134), wk = 0.0028490 k( 77) = ( -0.3179222 0.3179222 0.4848268), wk = 0.0028490 k( 78) = ( -0.3255087 0.3255087 0.4772403), wk = 0.0028490 k( 79) = ( -0.3330953 0.3330953 0.4696537), wk = 0.0028490 k( 80) = ( -0.3406819 0.3406819 0.4620671), wk = 0.0028490 k( 81) = ( -0.3482685 0.3482685 0.4544805), wk = 0.0028490 k( 82) = ( -0.3558550 0.3558550 0.4468940), wk = 0.0028490 k( 83) = ( -0.3634416 0.3634416 0.4393074), wk = 0.0028490 k( 84) = ( -0.3710282 0.3710282 0.4317208), wk = 0.0028490 k( 85) = ( -0.3786148 0.3786148 0.4241342), wk = 0.0028490 k( 86) = ( -0.3862013 0.3862013 0.4165477), wk = 0.0028490 k( 87) = ( -0.3937879 0.3937879 0.4089611), wk = 0.0028490 k( 88) = ( -0.4013745 0.4013745 0.4013745), wk = 0.0028490 k( 89) = ( -0.4013745 0.4013745 0.4013745), wk = 0.0028490 k( 90) = ( -0.3933470 0.3933470 0.3933470), wk = 0.0028490 k( 91) = ( -0.3853195 0.3853195 0.3853195), wk = 0.0028490 k( 92) = ( -0.3772920 0.3772920 0.3772920), wk = 0.0028490 k( 93) = ( -0.3692645 0.3692645 0.3692645), wk = 0.0028490 k( 94) = ( -0.3612371 0.3612371 0.3612370), wk = 0.0028490 k( 95) = ( -0.3532096 0.3532096 0.3532096), wk = 0.0028490 k( 96) = ( -0.3451821 0.3451821 0.3451821), wk = 0.0028490 k( 97) = ( -0.3371546 0.3371546 0.3371546), wk = 0.0028490 k( 98) = ( -0.3291271 0.3291271 0.3291271), wk = 0.0028490 k( 99) = ( -0.3210996 0.3210996 0.3210996), wk = 0.0028490 k( 100) = ( -0.3130721 0.3130721 0.3130721), wk = 0.0028490 k( 101) = ( -0.3050446 0.3050446 0.3050446), wk = 0.0028490 k( 102) = ( -0.2970171 0.2970171 0.2970171), wk = 0.0028490 k( 103) = ( -0.2889896 0.2889896 0.2889896), wk = 0.0028490 k( 104) = ( -0.2809622 0.2809622 0.2809621), wk = 0.0028490 k( 105) = ( -0.2729347 0.2729347 0.2729347), wk = 0.0028490 k( 106) = ( -0.2649072 0.2649072 0.2649072), wk = 0.0028490 k( 107) = ( -0.2568797 0.2568797 0.2568797), wk = 0.0028490 k( 108) = ( -0.2488522 0.2488522 0.2488522), wk = 0.0028490 k( 109) = ( -0.2408247 0.2408247 0.2408247), wk = 0.0028490 k( 110) = ( -0.2327972 0.2327972 0.2327972), wk = 0.0028490 k( 111) = ( -0.2247697 0.2247697 0.2247697), wk = 0.0028490 k( 112) = ( -0.2167422 0.2167422 0.2167422), wk = 0.0028490 k( 113) = ( -0.2087147 0.2087147 0.2087147), wk = 0.0028490 k( 114) = ( -0.2006873 0.2006873 0.2006872), wk = 0.0028490 k( 115) = ( -0.1926598 0.1926598 0.1926598), wk = 0.0028490 k( 116) = ( -0.1846323 0.1846323 0.1846323), wk = 0.0028490 k( 117) = ( -0.1766048 0.1766048 0.1766048), wk = 0.0028490 k( 118) = ( -0.1685773 0.1685773 0.1685773), wk = 0.0028490 k( 119) = ( -0.1605498 0.1605498 0.1605498), wk = 0.0028490 k( 120) = ( -0.1525223 0.1525223 0.1525223), wk = 0.0028490 k( 121) = ( -0.1444948 0.1444948 0.1444948), wk = 0.0028490 k( 122) = ( -0.1364673 0.1364673 0.1364673), wk = 0.0028490 k( 123) = ( -0.1284398 0.1284398 0.1284398), wk = 0.0028490 k( 124) = ( -0.1204124 0.1204124 0.1204124), wk = 0.0028490 k( 125) = ( -0.1123849 0.1123849 0.1123849), wk = 0.0028490 k( 126) = ( -0.1043574 0.1043574 0.1043574), wk = 0.0028490 k( 127) = ( -0.0963299 0.0963299 0.0963299), wk = 0.0028490 k( 128) = ( -0.0883024 0.0883024 0.0883024), wk = 0.0028490 k( 129) = ( -0.0802749 0.0802749 0.0802749), wk = 0.0028490 k( 130) = ( -0.0722474 0.0722474 0.0722474), wk = 0.0028490 k( 131) = ( -0.0642199 0.0642199 0.0642199), wk = 0.0028490 k( 132) = ( -0.0561924 0.0561924 0.0561924), wk = 0.0028490 k( 133) = ( -0.0481649 0.0481649 0.0481649), wk = 0.0028490 k( 134) = ( -0.0401374 0.0401374 0.0401374), wk = 0.0028490 k( 135) = ( -0.0321100 0.0321100 0.0321100), wk = 0.0028490 k( 136) = ( -0.0240825 0.0240825 0.0240825), wk = 0.0028490 k( 137) = ( -0.0160550 0.0160550 0.0160550), wk = 0.0028490 k( 138) = ( -0.0080275 0.0080275 0.0080275), wk = 0.0028490 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 141) = ( 0.0102041 0.0102041 -0.0102041), wk = 0.0028490 k( 142) = ( 0.0204082 0.0204082 -0.0204082), wk = 0.0028490 k( 143) = ( 0.0306122 0.0306122 -0.0306122), wk = 0.0028490 k( 144) = ( 0.0408163 0.0408163 -0.0408163), wk = 0.0028490 k( 145) = ( 0.0510204 0.0510204 -0.0510204), wk = 0.0028490 k( 146) = ( 0.0612245 0.0612245 -0.0612245), wk = 0.0028490 k( 147) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0028490 k( 148) = ( 0.0816327 0.0816327 -0.0816327), wk = 0.0028490 k( 149) = ( 0.0918367 0.0918367 -0.0918367), wk = 0.0028490 k( 150) = ( 0.1020408 0.1020408 -0.1020408), wk = 0.0028490 k( 151) = ( 0.1122449 0.1122449 -0.1122449), wk = 0.0028490 k( 152) = ( 0.1224490 0.1224490 -0.1224490), wk = 0.0028490 k( 153) = ( 0.1326531 0.1326531 -0.1326531), wk = 0.0028490 k( 154) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0028490 k( 155) = ( 0.1530612 0.1530612 -0.1530612), wk = 0.0028490 k( 156) = ( 0.1632653 0.1632653 -0.1632653), wk = 0.0028490 k( 157) = ( 0.1734694 0.1734694 -0.1734694), wk = 0.0028490 k( 158) = ( 0.1836735 0.1836735 -0.1836735), wk = 0.0028490 k( 159) = ( 0.1938776 0.1938776 -0.1938776), wk = 0.0028490 k( 160) = ( 0.2040816 0.2040816 -0.2040816), wk = 0.0028490 k( 161) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0028490 k( 162) = ( 0.2244898 0.2244898 -0.2244898), wk = 0.0028490 k( 163) = ( 0.2346939 0.2346939 -0.2346939), wk = 0.0028490 k( 164) = ( 0.2448980 0.2448980 -0.2448980), wk = 0.0028490 k( 165) = ( 0.2551020 0.2551020 -0.2551020), wk = 0.0028490 k( 166) = ( 0.2653061 0.2653061 -0.2653061), wk = 0.0028490 k( 167) = ( 0.2755102 0.2755102 -0.2755102), wk = 0.0028490 k( 168) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0028490 k( 169) = ( 0.2959184 0.2959184 -0.2959184), wk = 0.0028490 k( 170) = ( 0.3061224 0.3061224 -0.3061225), wk = 0.0028490 k( 171) = ( 0.3163265 0.3163265 -0.3163265), wk = 0.0028490 k( 172) = ( 0.3265306 0.3265306 -0.3265306), wk = 0.0028490 k( 173) = ( 0.3367347 0.3367347 -0.3367347), wk = 0.0028490 k( 174) = ( 0.3469388 0.3469388 -0.3469388), wk = 0.0028490 k( 175) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0028490 k( 176) = ( 0.3673469 0.3673469 -0.3673469), wk = 0.0028490 k( 177) = ( 0.3775510 0.3775510 -0.3775510), wk = 0.0028490 k( 178) = ( 0.3877551 0.3877551 -0.3877551), wk = 0.0028490 k( 179) = ( 0.3979592 0.3979592 -0.3979592), wk = 0.0028490 k( 180) = ( 0.4081633 0.4081633 -0.4081633), wk = 0.0028490 k( 181) = ( 0.4183674 0.4183673 -0.4183674), wk = 0.0028490 k( 182) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0028490 k( 183) = ( 0.4387755 0.4387755 -0.4387755), wk = 0.0028490 k( 184) = ( 0.4489796 0.4489796 -0.4489796), wk = 0.0028490 k( 185) = ( 0.4591837 0.4591837 -0.4591837), wk = 0.0028490 k( 186) = ( 0.4693878 0.4693878 -0.4693878), wk = 0.0028490 k( 187) = ( 0.4795918 0.4795918 -0.4795918), wk = 0.0028490 k( 188) = ( 0.4897959 0.4897959 -0.4897959), wk = 0.0028490 k( 189) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028490 k( 190) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028490 k( 191) = ( 0.4924134 0.5075866 -0.4924134), wk = 0.0028490 k( 192) = ( 0.4848268 0.5151731 -0.4848268), wk = 0.0028490 k( 193) = ( 0.4772403 0.5227597 -0.4772403), wk = 0.0028490 k( 194) = ( 0.4696537 0.5303463 -0.4696537), wk = 0.0028490 k( 195) = ( 0.4620671 0.5379329 -0.4620671), wk = 0.0028490 k( 196) = ( 0.4544805 0.5455195 -0.4544805), wk = 0.0028490 k( 197) = ( 0.4468940 0.5531060 -0.4468940), wk = 0.0028490 k( 198) = ( 0.4393074 0.5606926 -0.4393074), wk = 0.0028490 k( 199) = ( 0.4317208 0.5682792 -0.4317208), wk = 0.0028490 k( 200) = ( 0.4241342 0.5758658 -0.4241342), wk = 0.0028490 k( 201) = ( 0.4165477 0.5834523 -0.4165477), wk = 0.0028490 k( 202) = ( 0.4089611 0.5910389 -0.4089611), wk = 0.0028490 k( 203) = ( 0.4013745 0.5986255 -0.4013745), wk = 0.0028490 k( 204) = ( 0.4013745 0.5986255 -0.4013745), wk = 0.0028490 k( 205) = ( 0.3884269 0.5954440 -0.3884269), wk = 0.0028490 k( 206) = ( 0.3754794 0.5922626 -0.3754794), wk = 0.0028490 k( 207) = ( 0.3625318 0.5890811 -0.3625318), wk = 0.0028490 k( 208) = ( 0.3495842 0.5858996 -0.3495842), wk = 0.0028490 k( 209) = ( 0.3366367 0.5827182 -0.3366367), wk = 0.0028490 k( 210) = ( 0.3236891 0.5795367 -0.3236891), wk = 0.0028490 k( 211) = ( 0.3107415 0.5763552 -0.3107415), wk = 0.0028490 k( 212) = ( 0.2977940 0.5731738 -0.2977940), wk = 0.0028490 k( 213) = ( 0.2848464 0.5699923 -0.2848464), wk = 0.0028490 k( 214) = ( 0.2718989 0.5668108 -0.2718989), wk = 0.0028490 k( 215) = ( 0.2589513 0.5636294 -0.2589513), wk = 0.0028490 k( 216) = ( 0.2460037 0.5604479 -0.2460037), wk = 0.0028490 k( 217) = ( 0.2330562 0.5572664 -0.2330562), wk = 0.0028490 k( 218) = ( 0.2201086 0.5540849 -0.2201086), wk = 0.0028490 k( 219) = ( 0.2071610 0.5509035 -0.2071610), wk = 0.0028490 k( 220) = ( 0.1942135 0.5477220 -0.1942135), wk = 0.0028490 k( 221) = ( 0.1812659 0.5445406 -0.1812659), wk = 0.0028490 k( 222) = ( 0.1683183 0.5413591 -0.1683183), wk = 0.0028490 k( 223) = ( 0.1553708 0.5381776 -0.1553708), wk = 0.0028490 k( 224) = ( 0.1424232 0.5349961 -0.1424232), wk = 0.0028490 k( 225) = ( 0.1294756 0.5318147 -0.1294756), wk = 0.0028490 k( 226) = ( 0.1165281 0.5286332 -0.1165281), wk = 0.0028490 k( 227) = ( 0.1035805 0.5254517 -0.1035805), wk = 0.0028490 k( 228) = ( 0.0906330 0.5222703 -0.0906330), wk = 0.0028490 k( 229) = ( 0.0776854 0.5190888 -0.0776854), wk = 0.0028490 k( 230) = ( 0.0647378 0.5159073 -0.0647378), wk = 0.0028490 k( 231) = ( 0.0517903 0.5127259 -0.0517903), wk = 0.0028490 k( 232) = ( 0.0388427 0.5095444 -0.0388427), wk = 0.0028490 k( 233) = ( 0.0258951 0.5063629 -0.0258951), wk = 0.0028490 k( 234) = ( 0.0129476 0.5031815 -0.0129476), wk = 0.0028490 k( 235) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028490 k( 236) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028490 k( 237) = ( 0.0078125 0.4921875 0.0078125), wk = 0.0028490 k( 238) = ( 0.0156250 0.4843750 0.0156250), wk = 0.0028490 k( 239) = ( 0.0234375 0.4765625 0.0234375), wk = 0.0028490 k( 240) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0028490 k( 241) = ( 0.0390625 0.4609375 0.0390625), wk = 0.0028490 k( 242) = ( 0.0468750 0.4531250 0.0468750), wk = 0.0028490 k( 243) = ( 0.0546875 0.4453125 0.0546875), wk = 0.0028490 k( 244) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0028490 k( 245) = ( 0.0703125 0.4296875 0.0703125), wk = 0.0028490 k( 246) = ( 0.0781250 0.4218750 0.0781250), wk = 0.0028490 k( 247) = ( 0.0859375 0.4140625 0.0859375), wk = 0.0028490 k( 248) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0028490 k( 249) = ( 0.1015625 0.3984375 0.1015625), wk = 0.0028490 k( 250) = ( 0.1093750 0.3906250 0.1093750), wk = 0.0028490 k( 251) = ( 0.1171875 0.3828125 0.1171875), wk = 0.0028490 k( 252) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0028490 k( 253) = ( 0.1328125 0.3671875 0.1328125), wk = 0.0028490 k( 254) = ( 0.1406250 0.3593750 0.1406250), wk = 0.0028490 k( 255) = ( 0.1484375 0.3515625 0.1484375), wk = 0.0028490 k( 256) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0028490 k( 257) = ( 0.1640625 0.3359375 0.1640625), wk = 0.0028490 k( 258) = ( 0.1718750 0.3281250 0.1718750), wk = 0.0028490 k( 259) = ( 0.1796875 0.3203125 0.1796875), wk = 0.0028490 k( 260) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0028490 k( 261) = ( 0.1953125 0.3046875 0.1953125), wk = 0.0028490 k( 262) = ( 0.2031250 0.2968750 0.2031250), wk = 0.0028490 k( 263) = ( 0.2109375 0.2890625 0.2109375), wk = 0.0028490 k( 264) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0028490 k( 265) = ( 0.2265625 0.2734375 0.2265625), wk = 0.0028490 k( 266) = ( 0.2343750 0.2656250 0.2343750), wk = 0.0028490 k( 267) = ( 0.2421875 0.2578125 0.2421875), wk = 0.0028490 k( 268) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028490 k( 269) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028490 k( 270) = ( 0.2567568 0.2567568 0.2350608), wk = 0.0028490 k( 271) = ( 0.2635135 0.2635135 0.2201217), wk = 0.0028490 k( 272) = ( 0.2702703 0.2702703 0.2051825), wk = 0.0028490 k( 273) = ( 0.2770270 0.2770270 0.1902433), wk = 0.0028490 k( 274) = ( 0.2837838 0.2837838 0.1753042), wk = 0.0028490 k( 275) = ( 0.2905405 0.2905405 0.1603650), wk = 0.0028490 k( 276) = ( 0.2972973 0.2972973 0.1454259), wk = 0.0028490 k( 277) = ( 0.3040541 0.3040541 0.1304867), wk = 0.0028490 k( 278) = ( 0.3108108 0.3108108 0.1155475), wk = 0.0028490 k( 279) = ( 0.3175676 0.3175676 0.1006084), wk = 0.0028490 k( 280) = ( 0.3243243 0.3243243 0.0856692), wk = 0.0028490 k( 281) = ( 0.3310811 0.3310811 0.0707301), wk = 0.0028490 k( 282) = ( 0.3378378 0.3378378 0.0557909), wk = 0.0028490 k( 283) = ( 0.3445946 0.3445946 0.0408517), wk = 0.0028490 k( 284) = ( 0.3513514 0.3513514 0.0259126), wk = 0.0028490 k( 285) = ( 0.3581081 0.3581081 0.0109734), wk = 0.0028490 k( 286) = ( 0.3648649 0.3648649 -0.0039658), wk = 0.0028490 k( 287) = ( 0.3716216 0.3716216 -0.0189049), wk = 0.0028490 k( 288) = ( 0.3783784 0.3783784 -0.0338441), wk = 0.0028490 k( 289) = ( 0.3851351 0.3851351 -0.0487833), wk = 0.0028490 k( 290) = ( 0.3918919 0.3918919 -0.0637224), wk = 0.0028490 k( 291) = ( 0.3986486 0.3986486 -0.0786616), wk = 0.0028490 k( 292) = ( 0.4054054 0.4054054 -0.0936007), wk = 0.0028490 k( 293) = ( 0.4121622 0.4121622 -0.1085399), wk = 0.0028490 k( 294) = ( 0.4189189 0.4189189 -0.1234791), wk = 0.0028490 k( 295) = ( 0.4256757 0.4256757 -0.1384182), wk = 0.0028490 k( 296) = ( 0.4324324 0.4324324 -0.1533574), wk = 0.0028490 k( 297) = ( 0.4391892 0.4391892 -0.1682965), wk = 0.0028490 k( 298) = ( 0.4459459 0.4459459 -0.1832357), wk = 0.0028490 k( 299) = ( 0.4527027 0.4527027 -0.1981749), wk = 0.0028490 k( 300) = ( 0.4594595 0.4594595 -0.2131140), wk = 0.0028490 k( 301) = ( 0.4662162 0.4662162 -0.2280532), wk = 0.0028490 k( 302) = ( 0.4729730 0.4729730 -0.2429924), wk = 0.0028490 k( 303) = ( 0.4797297 0.4797297 -0.2579315), wk = 0.0028490 k( 304) = ( 0.4864865 0.4864865 -0.2728707), wk = 0.0028490 k( 305) = ( 0.4932432 0.4932432 -0.2878098), wk = 0.0028490 k( 306) = ( 0.5000000 0.5000000 -0.3027490), wk = 0.0028490 k( 307) = ( 0.5000000 0.5000000 -0.3027490), wk = 0.0028490 k( 308) = ( 0.5000000 0.5000000 -0.3137074), wk = 0.0028490 k( 309) = ( 0.5000000 0.5000000 -0.3246658), wk = 0.0028490 k( 310) = ( 0.5000000 0.5000000 -0.3356242), wk = 0.0028490 k( 311) = ( 0.5000000 0.5000000 -0.3465826), wk = 0.0028490 k( 312) = ( 0.5000000 0.5000000 -0.3575410), wk = 0.0028490 k( 313) = ( 0.5000000 0.5000000 -0.3684993), wk = 0.0028490 k( 314) = ( 0.5000000 0.5000000 -0.3794577), wk = 0.0028490 k( 315) = ( 0.5000000 0.5000000 -0.3904161), wk = 0.0028490 k( 316) = ( 0.5000000 0.5000000 -0.4013745), wk = 0.0028490 k( 317) = ( 0.5000000 0.5000000 -0.4123329), wk = 0.0028490 k( 318) = ( 0.5000000 0.5000000 -0.4232913), wk = 0.0028490 k( 319) = ( 0.5000000 0.5000000 -0.4342497), wk = 0.0028490 k( 320) = ( 0.5000000 0.5000000 -0.4452081), wk = 0.0028490 k( 321) = ( 0.5000000 0.5000000 -0.4561665), wk = 0.0028490 k( 322) = ( 0.5000000 0.5000000 -0.4671248), wk = 0.0028490 k( 323) = ( 0.5000000 0.5000000 -0.4780832), wk = 0.0028490 k( 324) = ( 0.5000000 0.5000000 -0.4890416), wk = 0.0028490 k( 325) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028490 k( 326) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028490 k( 327) = ( 0.0100000 0.0100000 0.4900000), wk = 0.0028490 k( 328) = ( 0.0200000 0.0200000 0.4800000), wk = 0.0028490 k( 329) = ( 0.0300000 0.0300000 0.4700000), wk = 0.0028490 k( 330) = ( 0.0400000 0.0400000 0.4600000), wk = 0.0028490 k( 331) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0028490 k( 332) = ( 0.0600000 0.0600000 0.4400000), wk = 0.0028490 k( 333) = ( 0.0700000 0.0700000 0.4300000), wk = 0.0028490 k( 334) = ( 0.0800000 0.0800000 0.4200000), wk = 0.0028490 k( 335) = ( 0.0900000 0.0900000 0.4100000), wk = 0.0028490 k( 336) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0028490 k( 337) = ( 0.1100000 0.1100000 0.3900000), wk = 0.0028490 k( 338) = ( 0.1200000 0.1200000 0.3800000), wk = 0.0028490 k( 339) = ( 0.1300000 0.1300000 0.3700000), wk = 0.0028490 k( 340) = ( 0.1400000 0.1400000 0.3600000), wk = 0.0028490 k( 341) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0028490 k( 342) = ( 0.1600000 0.1600000 0.3400000), wk = 0.0028490 k( 343) = ( 0.1700000 0.1700000 0.3300000), wk = 0.0028490 k( 344) = ( 0.1800000 0.1800000 0.3200000), wk = 0.0028490 k( 345) = ( 0.1900000 0.1900000 0.3100000), wk = 0.0028490 k( 346) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0028490 k( 347) = ( 0.2100000 0.2100000 0.2900000), wk = 0.0028490 k( 348) = ( 0.2200000 0.2200000 0.2800000), wk = 0.0028490 k( 349) = ( 0.2300000 0.2300000 0.2700000), wk = 0.0028490 k( 350) = ( 0.2400000 0.2400000 0.2600000), wk = 0.0028490 k( 351) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028490 Dense grid: 78767 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.44 Mb ( 554, 52) NL pseudopotentials 0.64 Mb ( 277, 152) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2189) G-vector shells 0.01 Mb ( 959) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.76 Mb ( 554, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.24 Mb ( 152, 2, 52) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Li2CaSiO4.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 6.2 secs Computing kpt #: 3 total cpu time spent up to now is 7.8 secs Computing kpt #: 4 total cpu time spent up to now is 9.3 secs Computing kpt #: 5 total cpu time spent up to now is 10.8 secs Computing kpt #: 6 total cpu time spent up to now is 12.4 secs Computing kpt #: 7 total cpu time spent up to now is 13.9 secs Computing kpt #: 8 total cpu time spent up to now is 15.5 secs Computing kpt #: 9 total cpu time spent up to now is 17.0 secs Computing kpt #: 10 total cpu time spent up to now is 18.1 secs Computing kpt #: 11 total cpu time spent up to now is 19.7 secs Computing kpt #: 12 total cpu time spent up to now is 21.3 secs Computing kpt #: 13 total cpu time spent up to now is 23.1 secs Computing kpt #: 14 total cpu time spent up to now is 24.7 secs Computing kpt #: 15 total cpu time spent up to now is 26.8 secs Computing kpt #: 16 total cpu time spent up to now is 28.6 secs Computing kpt #: 17 total cpu time spent up to now is 30.4 secs Computing kpt #: 18 total cpu time spent up to now is 31.8 secs Computing kpt #: 19 total cpu time spent up to now is 33.4 secs Computing kpt #: 20 total cpu time spent up to now is 35.3 secs Computing kpt #: 21 total cpu time spent up to now is 36.9 secs Computing kpt #: 22 total cpu time spent up to now is 39.1 secs Computing kpt #: 23 total cpu time spent up to now is 40.6 secs Computing kpt #: 24 total cpu time spent up to now is 42.2 secs Computing kpt #: 25 total cpu time spent up to now is 44.3 secs Computing kpt #: 26 total cpu time spent up to now is 45.9 secs Computing kpt #: 27 total cpu time spent up to now is 48.2 secs Computing kpt #: 28 total cpu time spent up to now is 49.7 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 52.3 secs Computing kpt #: 30 total cpu time spent up to now is 53.9 secs Computing kpt #: 31 total cpu time spent up to now is 55.4 secs Computing kpt #: 32 total cpu time spent up to now is 56.9 secs Computing kpt #: 33 total cpu time spent up to now is 58.4 secs Computing kpt #: 34 total cpu time spent up to now is 59.9 secs Computing kpt #: 35 total cpu time spent up to now is 61.5 secs Computing kpt #: 36 total cpu time spent up to now is 63.1 secs Computing kpt #: 37 total cpu time spent up to now is 64.4 secs Computing kpt #: 38 total cpu time spent up to now is 65.9 secs Computing kpt #: 39 total cpu time spent up to now is 67.4 secs Computing kpt #: 40 total cpu time spent up to now is 69.8 secs Computing kpt #: 41 total cpu time spent up to now is 71.4 secs Computing kpt #: 42 total cpu time spent up to now is 72.6 secs Computing kpt #: 43 total cpu time spent up to now is 73.8 secs Computing kpt #: 44 total cpu time spent up to now is 74.9 secs Computing kpt #: 45 total cpu time spent up to now is 76.1 secs Computing kpt #: 46 total cpu time spent up to now is 77.7 secs Computing kpt #: 47 total cpu time spent up to now is 79.3 secs Computing kpt #: 48 total cpu time spent up to now is 80.8 secs Computing kpt #: 49 total cpu time spent up to now is 82.0 secs Computing kpt #: 50 total cpu time spent up to now is 83.4 secs Computing kpt #: 51 total cpu time spent up to now is 84.6 secs Computing kpt #: 52 total cpu time spent up to now is 85.8 secs Computing kpt #: 53 total cpu time spent up to now is 86.9 secs Computing kpt #: 54 total cpu time spent up to now is 88.1 secs Computing kpt #: 55 total cpu time spent up to now is 89.3 secs Computing kpt #: 56 total cpu time spent up to now is 90.5 secs Computing kpt #: 57 total cpu time spent up to now is 91.7 secs Computing kpt #: 58 total cpu time spent up to now is 92.9 secs Computing kpt #: 59 total cpu time spent up to now is 94.0 secs Computing kpt #: 60 total cpu time spent up to now is 95.2 secs Computing kpt #: 61 total cpu time spent up to now is 96.3 secs Computing kpt #: 62 total cpu time spent up to now is 97.5 secs Computing kpt #: 63 total cpu time spent up to now is 98.7 secs Computing kpt #: 64 total cpu time spent up to now is 100.0 secs Computing kpt #: 65 total cpu time spent up to now is 101.2 secs Computing kpt #: 66 total cpu time spent up to now is 102.3 secs Computing kpt #: 67 total cpu time spent up to now is 103.5 secs Computing kpt #: 68 total cpu time spent up to now is 104.8 secs Computing kpt #: 69 total cpu time spent up to now is 106.0 secs Computing kpt #: 70 total cpu time spent up to now is 107.2 secs Computing kpt #: 71 total cpu time spent up to now is 108.5 secs Computing kpt #: 72 total cpu time spent up to now is 109.6 secs Computing kpt #: 73 total cpu time spent up to now is 110.8 secs Computing kpt #: 74 total cpu time spent up to now is 111.9 secs Computing kpt #: 75 total cpu time spent up to now is 113.1 secs Computing kpt #: 76 total cpu time spent up to now is 114.4 secs Computing kpt #: 77 total cpu time spent up to now is 115.5 secs Computing kpt #: 78 total cpu time spent up to now is 116.7 secs Computing kpt #: 79 total cpu time spent up to now is 117.8 secs Computing kpt #: 80 total cpu time spent up to now is 119.1 secs Computing kpt #: 81 total cpu time spent up to now is 120.5 secs Computing kpt #: 82 total cpu time spent up to now is 121.6 secs Computing kpt #: 83 total cpu time spent up to now is 122.7 secs Computing kpt #: 84 total cpu time spent up to now is 123.9 secs Computing kpt #: 85 total cpu time spent up to now is 125.1 secs Computing kpt #: 86 total cpu time spent up to now is 126.4 secs Computing kpt #: 87 total cpu time spent up to now is 127.7 secs Computing kpt #: 88 total cpu time spent up to now is 128.9 secs Computing kpt #: 89 total cpu time spent up to now is 130.0 secs Computing kpt #: 90 total cpu time spent up to now is 131.3 secs Computing kpt #: 91 total cpu time spent up to now is 132.5 secs Computing kpt #: 92 total cpu time spent up to now is 133.6 secs Computing kpt #: 93 total cpu time spent up to now is 134.8 secs Computing kpt #: 94 total cpu time spent up to now is 135.9 secs Computing kpt #: 95 total cpu time spent up to now is 137.1 secs Computing kpt #: 96 total cpu time spent up to now is 138.2 secs Computing kpt #: 97 total cpu time spent up to now is 139.4 secs Computing kpt #: 98 total cpu time spent up to now is 140.5 secs Computing kpt #: 99 total cpu time spent up to now is 141.7 secs Computing kpt #: 100 total cpu time spent up to now is 142.9 secs Computing kpt #: 101 total cpu time spent up to now is 144.2 secs Computing kpt #: 102 total cpu time spent up to now is 145.3 secs Computing kpt #: 103 total cpu time spent up to now is 146.7 secs Computing kpt #: 104 total cpu time spent up to now is 147.9 secs Computing kpt #: 105 total cpu time spent up to now is 149.3 secs Computing kpt #: 106 total cpu time spent up to now is 150.5 secs Computing kpt #: 107 total cpu time spent up to now is 151.9 secs Computing kpt #: 108 total cpu time spent up to now is 153.2 secs Computing kpt #: 109 total cpu time spent up to now is 154.6 secs Computing kpt #: 110 total cpu time spent up to now is 156.0 secs Computing kpt #: 111 total cpu time spent up to now is 157.1 secs Computing kpt #: 112 total cpu time spent up to now is 158.4 secs Computing kpt #: 113 total cpu time spent up to now is 159.7 secs Computing kpt #: 114 total cpu time spent up to now is 160.9 secs Computing kpt #: 115 total cpu time spent up to now is 162.3 secs Computing kpt #: 116 total cpu time spent up to now is 163.8 secs Computing kpt #: 117 total cpu time spent up to now is 165.0 secs Computing kpt #: 118 total cpu time spent up to now is 166.5 secs Computing kpt #: 119 total cpu time spent up to now is 168.0 secs Computing kpt #: 120 total cpu time spent up to now is 169.3 secs Computing kpt #: 121 total cpu time spent up to now is 170.7 secs Computing kpt #: 122 total cpu time spent up to now is 172.1 secs Computing kpt #: 123 total cpu time spent up to now is 173.5 secs Computing kpt #: 124 total cpu time spent up to now is 174.9 secs Computing kpt #: 125 total cpu time spent up to now is 176.3 secs Computing kpt #: 126 total cpu time spent up to now is 177.8 secs Computing kpt #: 127 total cpu time spent up to now is 179.3 secs Computing kpt #: 128 total cpu time spent up to now is 180.8 secs Computing kpt #: 129 total cpu time spent up to now is 182.2 secs Computing kpt #: 130 total cpu time spent up to now is 183.7 secs Computing kpt #: 131 total cpu time spent up to now is 185.2 secs Computing kpt #: 132 total cpu time spent up to now is 186.8 secs Computing kpt #: 133 total cpu time spent up to now is 188.2 secs Computing kpt #: 134 total cpu time spent up to now is 189.7 secs Computing kpt #: 135 total cpu time spent up to now is 191.2 secs Computing kpt #: 136 total cpu time spent up to now is 192.8 secs Computing kpt #: 137 total cpu time spent up to now is 194.4 secs Computing kpt #: 138 total cpu time spent up to now is 195.9 secs Computing kpt #: 139 total cpu time spent up to now is 197.5 secs Computing kpt #: 140 total cpu time spent up to now is 199.1 secs Computing kpt #: 141 total cpu time spent up to now is 200.6 secs Computing kpt #: 142 total cpu time spent up to now is 202.1 secs Computing kpt #: 143 total cpu time spent up to now is 203.7 secs Computing kpt #: 144 total cpu time spent up to now is 205.2 secs Computing kpt #: 145 total cpu time spent up to now is 206.8 secs Computing kpt #: 146 total cpu time spent up to now is 208.3 secs Computing kpt #: 147 total cpu time spent up to now is 209.9 secs Computing kpt #: 148 total cpu time spent up to now is 211.4 secs Computing kpt #: 149 total cpu time spent up to now is 213.0 secs Computing kpt #: 150 total cpu time spent up to now is 214.5 secs Computing kpt #: 151 total cpu time spent up to now is 216.1 secs Computing kpt #: 152 total cpu time spent up to now is 217.6 secs Computing kpt #: 153 total cpu time spent up to now is 220.0 secs Computing kpt #: 154 total cpu time spent up to now is 221.6 secs Computing kpt #: 155 total cpu time spent up to now is 223.3 secs Computing kpt #: 156 total cpu time spent up to now is 224.9 secs Computing kpt #: 157 total cpu time spent up to now is 226.5 secs Computing kpt #: 158 total cpu time spent up to now is 228.0 secs Computing kpt #: 159 total cpu time spent up to now is 229.5 secs Computing kpt #: 160 total cpu time spent up to now is 231.1 secs Computing kpt #: 161 total cpu time spent up to now is 232.6 secs Computing kpt #: 162 total cpu time spent up to now is 234.5 secs Computing kpt #: 163 total cpu time spent up to now is 236.2 secs Computing kpt #: 164 total cpu time spent up to now is 237.7 secs Computing kpt #: 165 total cpu time spent up to now is 239.1 secs Computing kpt #: 166 total cpu time spent up to now is 240.4 secs Computing kpt #: 167 total cpu time spent up to now is 241.8 secs Computing kpt #: 168 total cpu time spent up to now is 243.1 secs Computing kpt #: 169 total cpu time spent up to now is 244.5 secs Computing kpt #: 170 total cpu time spent up to now is 245.9 secs Computing kpt #: 171 total cpu time spent up to now is 247.3 secs Computing kpt #: 172 total cpu time spent up to now is 248.6 secs Computing kpt #: 173 total cpu time spent up to now is 250.0 secs Computing kpt #: 174 total cpu time spent up to now is 251.3 secs Computing kpt #: 175 total cpu time spent up to now is 252.7 secs Computing kpt #: 176 total cpu time spent up to now is 254.1 secs Computing kpt #: 177 total cpu time spent up to now is 255.5 secs Computing kpt #: 178 total cpu time spent up to now is 257.0 secs Computing kpt #: 179 total cpu time spent up to now is 258.3 secs Computing kpt #: 180 total cpu time spent up to now is 259.7 secs Computing kpt #: 181 total cpu time spent up to now is 261.1 secs Computing kpt #: 182 total cpu time spent up to now is 262.5 secs Computing kpt #: 183 total cpu time spent up to now is 264.0 secs Computing kpt #: 184 total cpu time spent up to now is 265.5 secs Computing kpt #: 185 total cpu time spent up to now is 267.0 secs Computing kpt #: 186 total cpu time spent up to now is 268.5 secs Computing kpt #: 187 total cpu time spent up to now is 270.2 secs Computing kpt #: 188 total cpu time spent up to now is 272.0 secs Computing kpt #: 189 total cpu time spent up to now is 273.5 secs Computing kpt #: 190 total cpu time spent up to now is 274.8 secs Computing kpt #: 191 total cpu time spent up to now is 276.2 secs Computing kpt #: 192 total cpu time spent up to now is 277.6 secs Computing kpt #: 193 total cpu time spent up to now is 279.0 secs Computing kpt #: 194 total cpu time spent up to now is 280.4 secs Computing kpt #: 195 total cpu time spent up to now is 281.8 secs Computing kpt #: 196 total cpu time spent up to now is 283.1 secs Computing kpt #: 197 total cpu time spent up to now is 284.5 secs Computing kpt #: 198 total cpu time spent up to now is 285.9 secs Computing kpt #: 199 total cpu time spent up to now is 287.2 secs Computing kpt #: 200 total cpu time spent up to now is 288.6 secs Computing kpt #: 201 total cpu time spent up to now is 290.0 secs Computing kpt #: 202 total cpu time spent up to now is 291.2 secs Computing kpt #: 203 total cpu time spent up to now is 292.5 secs Computing kpt #: 204 total cpu time spent up to now is 293.7 secs Computing kpt #: 205 total cpu time spent up to now is 295.0 secs Computing kpt #: 206 total cpu time spent up to now is 296.2 secs Computing kpt #: 207 total cpu time spent up to now is 297.3 secs Computing kpt #: 208 total cpu time spent up to now is 298.5 secs Computing kpt #: 209 total cpu time spent up to now is 299.7 secs Computing kpt #: 210 total cpu time spent up to now is 300.9 secs Computing kpt #: 211 total cpu time spent up to now is 302.3 secs Computing kpt #: 212 total cpu time spent up to now is 303.7 secs Computing kpt #: 213 total cpu time spent up to now is 305.0 secs Computing kpt #: 214 total cpu time spent up to now is 306.3 secs Computing kpt #: 215 total cpu time spent up to now is 307.7 secs Computing kpt #: 216 total cpu time spent up to now is 308.9 secs Computing kpt #: 217 total cpu time spent up to now is 310.0 secs Computing kpt #: 218 total cpu time spent up to now is 311.4 secs Computing kpt #: 219 total cpu time spent up to now is 312.5 secs Computing kpt #: 220 total cpu time spent up to now is 313.8 secs Computing kpt #: 221 total cpu time spent up to now is 315.2 secs Computing kpt #: 222 total cpu time spent up to now is 316.6 secs Computing kpt #: 223 total cpu time spent up to now is 317.7 secs Computing kpt #: 224 total cpu time spent up to now is 319.1 secs Computing kpt #: 225 total cpu time spent up to now is 320.5 secs Computing kpt #: 226 total cpu time spent up to now is 321.9 secs Computing kpt #: 227 total cpu time spent up to now is 323.2 secs Computing kpt #: 228 total cpu time spent up to now is 324.6 secs Computing kpt #: 229 total cpu time spent up to now is 326.0 secs Computing kpt #: 230 total cpu time spent up to now is 327.2 secs Computing kpt #: 231 total cpu time spent up to now is 328.6 secs Computing kpt #: 232 total cpu time spent up to now is 330.0 secs Computing kpt #: 233 total cpu time spent up to now is 331.5 secs Computing kpt #: 234 total cpu time spent up to now is 333.3 secs Computing kpt #: 235 total cpu time spent up to now is 334.8 secs Computing kpt #: 236 total cpu time spent up to now is 336.4 secs Computing kpt #: 237 total cpu time spent up to now is 337.6 secs Computing kpt #: 238 total cpu time spent up to now is 339.2 secs Computing kpt #: 239 total cpu time spent up to now is 340.8 secs Computing kpt #: 240 total cpu time spent up to now is 342.0 secs Computing kpt #: 241 total cpu time spent up to now is 343.4 secs Computing kpt #: 242 total cpu time spent up to now is 345.0 secs Computing kpt #: 243 total cpu time spent up to now is 346.5 secs Computing kpt #: 244 total cpu time spent up to now is 348.0 secs Computing kpt #: 245 total cpu time spent up to now is 349.6 secs Computing kpt #: 246 total cpu time spent up to now is 351.4 secs Computing kpt #: 247 total cpu time spent up to now is 352.8 secs Computing kpt #: 248 total cpu time spent up to now is 354.8 secs Computing kpt #: 249 total cpu time spent up to now is 356.3 secs Computing kpt #: 250 total cpu time spent up to now is 358.1 secs Computing kpt #: 251 total cpu time spent up to now is 359.7 secs Computing kpt #: 252 total cpu time spent up to now is 361.2 secs Computing kpt #: 253 total cpu time spent up to now is 363.1 secs Computing kpt #: 254 total cpu time spent up to now is 364.7 secs Computing kpt #: 255 total cpu time spent up to now is 366.3 secs Computing kpt #: 256 total cpu time spent up to now is 367.8 secs Computing kpt #: 257 total cpu time spent up to now is 369.0 secs Computing kpt #: 258 total cpu time spent up to now is 371.0 secs Computing kpt #: 259 total cpu time spent up to now is 373.5 secs Computing kpt #: 260 total cpu time spent up to now is 375.5 secs Computing kpt #: 261 total cpu time spent up to now is 377.4 secs Computing kpt #: 262 total cpu time spent up to now is 380.1 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 382.6 secs Computing kpt #: 264 total cpu time spent up to now is 384.5 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 387.2 secs Computing kpt #: 266 total cpu time spent up to now is 388.7 secs Computing kpt #: 267 total cpu time spent up to now is 390.2 secs Computing kpt #: 268 total cpu time spent up to now is 391.8 secs Computing kpt #: 269 total cpu time spent up to now is 393.5 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 396.1 secs Computing kpt #: 271 total cpu time spent up to now is 397.5 secs Computing kpt #: 272 total cpu time spent up to now is 399.3 secs Computing kpt #: 273 total cpu time spent up to now is 400.7 secs Computing kpt #: 274 total cpu time spent up to now is 402.2 secs Computing kpt #: 275 total cpu time spent up to now is 403.4 secs Computing kpt #: 276 total cpu time spent up to now is 404.9 secs Computing kpt #: 277 total cpu time spent up to now is 406.3 secs Computing kpt #: 278 total cpu time spent up to now is 407.9 secs Computing kpt #: 279 total cpu time spent up to now is 409.3 secs Computing kpt #: 280 total cpu time spent up to now is 410.8 secs Computing kpt #: 281 total cpu time spent up to now is 412.3 secs Computing kpt #: 282 total cpu time spent up to now is 413.7 secs Computing kpt #: 283 total cpu time spent up to now is 415.0 secs Computing kpt #: 284 total cpu time spent up to now is 416.4 secs Computing kpt #: 285 total cpu time spent up to now is 417.6 secs Computing kpt #: 286 total cpu time spent up to now is 418.8 secs Computing kpt #: 287 total cpu time spent up to now is 420.2 secs Computing kpt #: 288 total cpu time spent up to now is 421.4 secs Computing kpt #: 289 total cpu time spent up to now is 422.7 secs Computing kpt #: 290 total cpu time spent up to now is 423.8 secs Computing kpt #: 291 total cpu time spent up to now is 425.2 secs Computing kpt #: 292 total cpu time spent up to now is 426.4 secs Computing kpt #: 293 total cpu time spent up to now is 427.6 secs Computing kpt #: 294 total cpu time spent up to now is 428.8 secs Computing kpt #: 295 total cpu time spent up to now is 430.0 secs Computing kpt #: 296 total cpu time spent up to now is 431.1 secs Computing kpt #: 297 total cpu time spent up to now is 432.3 secs Computing kpt #: 298 total cpu time spent up to now is 433.4 secs Computing kpt #: 299 total cpu time spent up to now is 434.6 secs Computing kpt #: 300 total cpu time spent up to now is 436.0 secs Computing kpt #: 301 total cpu time spent up to now is 437.2 secs Computing kpt #: 302 total cpu time spent up to now is 438.3 secs Computing kpt #: 303 total cpu time spent up to now is 439.5 secs Computing kpt #: 304 total cpu time spent up to now is 440.6 secs Computing kpt #: 305 total cpu time spent up to now is 441.8 secs Computing kpt #: 306 total cpu time spent up to now is 443.0 secs Computing kpt #: 307 total cpu time spent up to now is 444.1 secs Computing kpt #: 308 total cpu time spent up to now is 445.3 secs Computing kpt #: 309 total cpu time spent up to now is 446.4 secs Computing kpt #: 310 total cpu time spent up to now is 447.6 secs Computing kpt #: 311 total cpu time spent up to now is 449.0 secs Computing kpt #: 312 total cpu time spent up to now is 450.1 secs Computing kpt #: 313 total cpu time spent up to now is 451.5 secs Computing kpt #: 314 total cpu time spent up to now is 452.6 secs Computing kpt #: 315 total cpu time spent up to now is 454.0 secs Computing kpt #: 316 total cpu time spent up to now is 455.5 secs Computing kpt #: 317 total cpu time spent up to now is 456.9 secs Computing kpt #: 318 total cpu time spent up to now is 458.2 secs Computing kpt #: 319 total cpu time spent up to now is 459.6 secs Computing kpt #: 320 total cpu time spent up to now is 460.9 secs Computing kpt #: 321 total cpu time spent up to now is 462.3 secs Computing kpt #: 322 total cpu time spent up to now is 463.7 secs Computing kpt #: 323 total cpu time spent up to now is 465.0 secs Computing kpt #: 324 total cpu time spent up to now is 466.5 secs Computing kpt #: 325 total cpu time spent up to now is 467.9 secs Computing kpt #: 326 total cpu time spent up to now is 470.3 secs Computing kpt #: 327 total cpu time spent up to now is 471.9 secs Computing kpt #: 328 total cpu time spent up to now is 473.2 secs Computing kpt #: 329 total cpu time spent up to now is 474.7 secs Computing kpt #: 330 total cpu time spent up to now is 476.3 secs Computing kpt #: 331 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 478.8 secs Computing kpt #: 332 total cpu time spent up to now is 481.0 secs Computing kpt #: 333 total cpu time spent up to now is 482.3 secs Computing kpt #: 334 total cpu time spent up to now is 484.0 secs Computing kpt #: 335 total cpu time spent up to now is 485.6 secs Computing kpt #: 336 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 488.2 secs Computing kpt #: 337 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 490.7 secs Computing kpt #: 338 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 493.3 secs Computing kpt #: 339 total cpu time spent up to now is 494.9 secs Computing kpt #: 340 total cpu time spent up to now is 496.3 secs Computing kpt #: 341 total cpu time spent up to now is 497.5 secs Computing kpt #: 342 total cpu time spent up to now is 499.7 secs Computing kpt #: 343 total cpu time spent up to now is 501.2 secs Computing kpt #: 344 total cpu time spent up to now is 502.8 secs Computing kpt #: 345 total cpu time spent up to now is 504.3 secs Computing kpt #: 346 total cpu time spent up to now is 505.9 secs Computing kpt #: 347 total cpu time spent up to now is 507.3 secs Computing kpt #: 348 total cpu time spent up to now is 508.8 secs Computing kpt #: 349 total cpu time spent up to now is 510.9 secs Computing kpt #: 350 total cpu time spent up to now is 513.1 secs Computing kpt #: 351 total cpu time spent up to now is 514.7 secs ethr = 2.27E-08, avg # of iterations = 41.6 total cpu time spent up to now is 514.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9903 PWs) bands (ev): -36.9840 -36.9840 -36.9751 -36.9751 -32.5063 -32.5063 -13.8499 -13.8499 -13.5037 -13.5037 -13.4545 -13.4545 -12.5414 -12.5414 -10.8084 -10.8084 -10.7964 -10.7964 -10.6437 -10.6437 0.5234 0.5234 1.3467 1.3467 1.3474 1.3474 1.5465 1.5465 3.3862 3.3862 3.6008 3.6008 4.4611 4.4611 4.4702 4.4702 4.4758 4.4758 4.7074 4.7074 4.7324 4.7324 4.9778 4.9778 10.9314 10.9314 11.6649 11.6649 13.1243 13.1243 13.2056 13.2056 k = 0.0000 0.0000 0.0150 ( 9895 PWs) bands (ev): -36.9840 -36.9840 -36.9751 -36.9751 -32.5063 -32.5063 -13.8514 -13.8487 -13.5040 -13.5040 -13.4562 -13.4529 -12.5406 -12.5406 -10.8089 -10.8084 -10.7966 -10.7966 -10.6438 -10.6435 0.5219 0.5219 1.3467 1.3468 1.3497 1.3499 1.5468 1.5473 3.3861 3.3864 3.6011 3.6012 4.4547 4.4621 4.4698 4.4713 4.4748 4.4831 4.7061 4.7063 4.7312 4.7312 4.9773 4.9774 10.9343 10.9343 11.6646 11.6648 13.1150 13.1170 13.2075 13.2085 k = 0.0000 0.0000 0.0300 ( 9887 PWs) bands (ev): -36.9839 -36.9839 -36.9751 -36.9751 -32.5063 -32.5063 -13.8531 -13.8478 -13.5050 -13.5048 -13.4581 -13.4516 -12.5381 -12.5381 -10.8098 -10.8087 -10.7972 -10.7971 -10.6438 -10.6432 0.5174 0.5174 1.3460 1.3461 1.3576 1.3578 1.5480 1.5491 3.3861 3.3865 3.6021 3.6025 4.4485 4.4573 4.4685 4.4701 4.4837 4.4927 4.7019 4.7023 4.7280 4.7282 4.9757 4.9758 10.9429 10.9429 11.6641 11.6643 13.0941 13.0971 13.2095 13.2105 k = 0.0000 0.0000 0.0450 ( 9879 PWs) bands (ev): -36.9839 -36.9839 -36.9751 -36.9751 -32.5062 -32.5062 -13.8552 -13.8472 -13.5067 -13.5061 -13.4601 -13.4506 -12.5340 -12.5339 -10.8114 -10.8096 -10.7981 -10.7979 -10.6437 -10.6428 0.5101 0.5101 1.3448 1.3449 1.3705 1.3709 1.5504 1.5519 3.3861 3.3867 3.6039 3.6044 4.4432 4.4522 4.4664 4.4681 4.4951 4.5039 4.6939 4.6945 4.7241 4.7243 4.9731 4.9733 10.9571 10.9572 11.6632 11.6636 13.0669 13.0705 13.2114 13.2123 k = 0.0000 0.0000 0.0601 ( 9881 PWs) bands (ev): -36.9839 -36.9839 -36.9751 -36.9751 -32.5062 -32.5062 -13.8576 -13.8469 -13.5091 -13.5078 -13.4620 -13.4498 -12.5283 -12.5282 -10.8137 -10.8113 -10.7990 -10.7986 -10.6436 -10.6424 0.5003 0.5004 1.3430 1.3432 1.3881 1.3886 1.5537 1.5557 3.3862 3.3870 3.6062 3.6069 4.4389 4.4478 4.4634 4.4654 4.5082 4.5166 4.6813 4.6821 4.7203 4.7206 4.9695 4.9697 10.9769 10.9770 11.6620 11.6625 13.0358 13.0398 13.2137 13.2147 k = 0.0000 0.0000 0.0751 ( 9881 PWs) bands (ev): -36.9839 -36.9839 -36.9752 -36.9752 -32.5062 -32.5062 -13.8603 -13.8469 -13.5122 -13.5098 -13.4639 -13.4494 -12.5212 -12.5210 -10.8168 -10.8138 -10.7996 -10.7991 -10.6435 -10.6419 0.4884 0.4885 1.3409 1.3411 1.4099 1.4106 1.5581 1.5607 3.3863 3.3873 3.6092 3.6100 4.4354 4.4441 4.4596 4.4620 4.5228 4.5307 4.6642 4.6652 4.7168 4.7172 4.9648 4.9651 11.0021 11.0021 11.6606 11.6613 13.0020 13.0062 13.2166 13.2176 k = 0.0000 0.0000 0.0901 ( 9881 PWs) bands (ev): -36.9838 -36.9838 -36.9752 -36.9752 -32.5062 -32.5062 -13.8632 -13.8471 -13.5161 -13.5122 -13.4657 -13.4493 -12.5127 -12.5124 -10.8208 -10.8173 -10.8000 -10.7994 -10.6433 -10.6415 0.4748 0.4748 1.3382 1.3385 1.4355 1.4362 1.5637 1.5667 3.3866 3.3878 3.6125 3.6135 4.4326 4.4409 4.4550 4.4579 4.5389 4.5462 4.6431 4.6445 4.7136 4.7139 4.9590 4.9593 11.0323 11.0325 11.6592 11.6599 12.9661 12.9705 13.2199 13.2210 k = 0.0000 0.0000 0.1051 ( 9869 PWs) bands (ev): -36.9838 -36.9838 -36.9752 -36.9752 -32.5062 -32.5062 -13.8664 -13.8476 -13.5206 -13.5147 -13.4673 -13.4495 -12.5030 -12.5025 -10.8255 -10.8217 -10.8001 -10.7995 -10.6432 -10.6411 0.4598 0.4598 1.3352 1.3355 1.4642 1.4650 1.5706 1.5742 3.3870 3.3883 3.6162 3.6173 4.4305 4.4382 4.4495 4.4532 4.5564 4.5631 4.6188 4.6204 4.7103 4.7107 4.9522 4.9525 11.0676 11.0677 11.6577 11.6586 12.9286 12.9331 13.2238 13.2249 k = 0.0000 0.0000 0.1201 ( 9861 PWs) bands (ev): -36.9837 -36.9837 -36.9753 -36.9753 -32.5062 -32.5062 -13.8698 -13.8483 -13.5257 -13.5175 -13.4689 -13.4500 -12.4923 -12.4916 -10.8308 -10.8266 -10.8000 -10.7995 -10.6431 -10.6407 0.4438 0.4439 1.3318 1.3321 1.4952 1.4960 1.5792 1.5833 3.3875 3.3890 3.6199 3.6212 4.4288 4.4356 4.4430 4.4477 4.5751 4.5809 4.5921 4.5942 4.7072 4.7074 4.9442 4.9446 11.1074 11.1075 11.6563 11.6573 12.8899 12.8947 13.2282 13.2294 k = 0.0000 0.0000 0.1351 ( 9847 PWs) bands (ev): -36.9837 -36.9837 -36.9753 -36.9753 -32.5062 -32.5062 -13.8734 -13.8492 -13.5312 -13.5204 -13.4704 -13.4507 -12.4806 -12.4796 -10.8366 -10.8322 -10.7998 -10.7993 -10.6431 -10.6404 0.4272 0.4272 1.3280 1.3284 1.5270 1.5278 1.5906 1.5952 3.3883 3.3899 3.6235 3.6250 4.4275 4.4322 4.4351 4.4420 4.5637 4.5657 4.5952 4.6005 4.7042 4.7042 4.9351 4.9356 11.1516 11.1517 11.6552 11.6563 12.8507 12.8556 13.2330 13.2342 k = 0.0000 0.0000 0.1501 ( 9844 PWs) bands (ev): -36.9836 -36.9836 -36.9753 -36.9753 -32.5062 -32.5062 -13.8772 -13.8504 -13.5371 -13.5235 -13.4719 -13.4516 -12.4681 -12.4667 -10.8427 -10.8381 -10.7994 -10.7990 -10.6432 -10.6403 0.4101 0.4101 1.3238 1.3243 1.5564 1.5575 1.6074 1.6123 3.3892 3.3910 3.6267 3.6284 4.4236 4.4252 4.4276 4.4377 4.5355 4.5379 4.6159 4.6200 4.7014 4.7019 4.9249 4.9254 11.1998 11.1999 11.6544 11.6556 12.8112 12.8163 13.2381 13.2395 k = 0.0000 0.0000 0.1651 ( 9848 PWs) bands (ev): -36.9835 -36.9835 -36.9754 -36.9754 -32.5061 -32.5061 -13.8812 -13.8518 -13.5432 -13.5265 -13.4733 -13.4528 -12.4550 -12.4532 -10.8490 -10.8443 -10.7990 -10.7986 -10.6434 -10.6402 0.3928 0.3929 1.3194 1.3199 1.5790 1.5809 1.6339 1.6384 3.3904 3.3923 3.6294 3.6312 4.4096 4.4121 4.4263 4.4352 4.5100 4.5124 4.6366 4.6391 4.6998 4.7012 4.9136 4.9141 11.2516 11.2518 11.6542 11.6554 12.7719 12.7772 13.2436 13.2450 k = 0.0000 0.0000 0.1802 ( 9846 PWs) bands (ev): -36.9835 -36.9835 -36.9755 -36.9755 -32.5061 -32.5061 -13.8853 -13.8533 -13.5495 -13.5296 -13.4748 -13.4541 -12.4414 -12.4392 -10.8554 -10.8507 -10.7985 -10.7982 -10.6437 -10.6403 0.3755 0.3757 1.3147 1.3152 1.5952 1.5981 1.6693 1.6733 3.3918 3.3938 3.6311 3.6331 4.3891 4.3916 4.4256 4.4336 4.4898 4.4918 4.6550 4.6550 4.7015 4.7048 4.9011 4.9017 11.3068 11.3070 11.6546 11.6559 12.7332 12.7388 13.2494 13.2508 k = 0.0000 0.0000 0.1952 ( 9844 PWs) bands (ev): -36.9834 -36.9834 -36.9755 -36.9755 -32.5061 -32.5061 -13.8894 -13.8549 -13.5558 -13.5327 -13.4763 -13.4557 -12.4276 -12.4249 -10.8618 -10.8571 -10.7979 -10.7977 -10.6442 -10.6406 0.3585 0.3587 1.3097 1.3102 1.6085 1.6121 1.7097 1.7134 3.3936 3.3956 3.6316 3.6337 4.3618 4.3638 4.4249 4.4322 4.4763 4.4774 4.6639 4.6663 4.7114 4.7165 4.8876 4.8882 11.3650 11.3652 11.6558 11.6572 12.6955 12.7012 13.2553 13.2569 k = 0.0000 0.0000 0.2102 ( 9854 PWs) bands (ev): -36.9833 -36.9833 -36.9756 -36.9756 -32.5061 -32.5061 -13.8936 -13.8567 -13.5622 -13.5357 -13.4778 -13.4574 -12.4136 -12.4103 -10.8681 -10.8635 -10.7973 -10.7971 -10.6449 -10.6410 0.3417 0.3420 1.3046 1.3051 1.6210 1.6250 1.7528 1.7565 3.3956 3.3977 3.6305 3.6328 4.3292 4.3304 4.4240 4.4307 4.4683 4.4685 4.6660 4.6692 4.7308 4.7361 4.8730 4.8736 11.4258 11.4260 11.6580 11.6594 12.6590 12.6650 13.2615 13.2630 k = 0.0000 0.0000 0.2252 ( 9852 PWs) bands (ev): -36.9832 -36.9832 -36.9757 -36.9757 -32.5060 -32.5060 -13.8979 -13.8586 -13.5684 -13.5386 -13.4793 -13.4593 -12.3997 -12.3957 -10.8742 -10.8697 -10.7967 -10.7965 -10.6457 -10.6415 0.3254 0.3257 1.2992 1.2998 1.6333 1.6377 1.7977 1.8014 3.3980 3.4002 3.6277 3.6301 4.2933 4.2939 4.4228 4.4289 4.4634 4.4640 4.6650 4.6682 4.7550 4.7598 4.8574 4.8580 11.4888 11.4890 11.6613 11.6627 12.6241 12.6304 13.2677 13.2693 k = 0.0000 0.0000 0.2402 ( 9844 PWs) bands (ev): -36.9831 -36.9831 -36.9757 -36.9757 -32.5060 -32.5060 -13.9021 -13.8606 -13.5745 -13.5414 -13.4809 -13.4613 -12.3859 -12.3813 -10.8799 -10.8757 -10.7960 -10.7959 -10.6466 -10.6423 0.3095 0.3099 1.2938 1.2943 1.6457 1.6503 1.8438 1.8476 3.4007 3.4029 3.6227 3.6253 4.2559 4.2559 4.4212 4.4267 4.4611 4.4623 4.6628 4.6660 4.7815 4.7857 4.8409 4.8415 11.5537 11.5540 11.6659 11.6673 12.5911 12.5976 13.2741 13.2757 k = 0.0000 0.0000 0.2552 ( 9832 PWs) bands (ev): -36.9830 -36.9830 -36.9758 -36.9758 -32.5060 -32.5060 -13.9062 -13.8627 -13.5805 -13.5440 -13.4825 -13.4634 -12.3724 -12.3671 -10.8852 -10.8813 -10.7953 -10.7952 -10.6478 -10.6432 0.2942 0.2947 1.2882 1.2888 1.6582 1.6630 1.8910 1.8949 3.4037 3.4060 3.6154 3.6181 4.2176 4.2179 4.4191 4.4240 4.4609 4.4627 4.6604 4.6635 4.8089 4.8124 4.8240 4.8246 11.6202 11.6204 11.6719 11.6733 12.5602 12.5670 13.2804 13.2821 k = 0.0000 0.0000 0.2702 ( 9844 PWs) bands (ev): -36.9829 -36.9829 -36.9759 -36.9759 -32.5060 -32.5060 -13.9102 -13.8648 -13.5861 -13.5466 -13.4842 -13.4657 -12.3594 -12.3533 -10.8900 -10.8864 -10.7945 -10.7945 -10.6491 -10.6443 0.2795 0.2801 1.2826 1.2832 1.6709 1.6758 1.9388 1.9429 3.4071 3.4094 3.6056 3.6083 4.1796 4.1801 4.4162 4.4206 4.4624 4.4646 4.6581 4.6613 4.8052 4.8059 4.8381 4.8413 11.6791 11.6807 11.6880 11.6881 12.5316 12.5387 13.2867 13.2884 k = 0.0000 0.0000 0.2853 ( 9848 PWs) bands (ev): -36.9828 -36.9828 -36.9760 -36.9760 -32.5059 -32.5059 -13.9141 -13.8670 -13.5916 -13.5489 -13.4859 -13.4682 -12.3470 -12.3401 -10.8941 -10.8910 -10.7938 -10.7937 -10.6505 -10.6456 0.2655 0.2661 1.2769 1.2775 1.6836 1.6885 1.9873 1.9915 3.4109 3.4132 3.5932 3.5960 4.1424 4.1432 4.4125 4.4165 4.4651 4.4676 4.6563 4.6594 4.7870 4.7878 4.8670 4.8697 11.6885 11.6899 11.7563 11.7565 12.5055 12.5129 13.2929 13.2947 k = 0.0000 0.0000 0.3003 ( 9848 PWs) bands (ev): -36.9828 -36.9828 -36.9761 -36.9761 -32.5059 -32.5059 -13.9179 -13.8692 -13.5966 -13.5511 -13.4876 -13.4707 -12.3353 -12.3275 -10.8976 -10.8950 -10.7930 -10.7930 -10.6522 -10.6471 0.2520 0.2527 1.2712 1.2718 1.6963 1.7012 2.0362 2.0405 3.4150 3.4173 3.5783 3.5810 4.1066 4.1074 4.4080 4.4115 4.4686 4.4713 4.6550 4.6581 4.7687 4.7696 4.8962 4.8986 11.6994 11.7009 11.8251 11.8254 12.4821 12.4899 13.2990 13.3008 k = 0.0000 0.0000 0.3153 ( 9840 PWs) bands (ev): -36.9827 -36.9827 -36.9761 -36.9761 -32.5059 -32.5059 -13.9214 -13.8714 -13.6014 -13.5532 -13.4894 -13.4734 -12.3243 -12.3157 -10.9002 -10.8982 -10.7923 -10.7922 -10.6540 -10.6487 0.2393 0.2400 1.2656 1.2662 1.7089 1.7138 2.0855 2.0899 3.4194 3.4218 3.5610 3.5636 4.0722 4.0731 4.4025 4.4056 4.4724 4.4752 4.6544 4.6574 4.7509 4.7518 4.9256 4.9275 11.7123 11.7137 11.8940 11.8944 12.4616 12.4697 13.3050 13.3068 k = 0.0000 0.0000 0.3303 ( 9840 PWs) bands (ev): -36.9825 -36.9825 -36.9762 -36.9762 -32.5059 -32.5059 -13.9247 -13.8735 -13.6058 -13.5550 -13.4912 -13.4762 -12.3141 -12.3048 -10.9021 -10.9007 -10.7915 -10.7913 -10.6560 -10.6506 0.2272 0.2280 1.2599 1.2606 1.7213 1.7261 2.1349 2.1394 3.4242 3.4265 3.5415 3.5439 4.0395 4.0403 4.3960 4.3989 4.4755 4.4783 4.6545 4.6574 4.7342 4.7353 4.9549 4.9565 11.7271 11.7285 11.9627 11.9631 12.4441 12.4525 13.3107 13.3125 k = 0.0000 0.0000 0.3453 ( 9836 PWs) bands (ev): -36.9824 -36.9824 -36.9763 -36.9763 -32.5058 -32.5058 -13.9277 -13.8757 -13.6098 -13.5568 -13.4930 -13.4791 -12.3049 -12.2947 -10.9031 -10.9024 -10.7907 -10.7905 -10.6582 -10.6526 0.2158 0.2166 1.2544 1.2550 1.7334 1.7381 2.1844 2.1890 3.4294 3.4317 3.5203 3.5225 4.0085 4.0091 4.3887 4.3913 4.4769 4.4797 4.6552 4.6579 4.7196 4.7210 4.9839 4.9853 11.7440 11.7454 12.0306 12.0311 12.4296 12.4384 13.3161 13.3180 k = 0.0000 0.0000 0.3603 ( 9832 PWs) bands (ev): -36.9823 -36.9823 -36.9764 -36.9764 -32.5058 -32.5058 -13.9305 -13.8779 -13.6134 -13.5583 -13.4949 -13.4821 -12.2966 -12.2857 -10.9032 -10.9032 -10.7900 -10.7897 -10.6605 -10.6547 0.2050 0.2058 1.2490 1.2496 1.7451 1.7496 2.2339 2.2386 3.4348 3.4371 3.4977 3.4996 3.9790 3.9794 4.3804 4.3828 4.4755 4.4781 4.6566 4.6591 4.7082 4.7098 5.0127 5.0138 11.7630 11.7644 12.0975 12.0980 12.4183 12.4275 13.3213 13.3231 k = 0.0000 0.0000 0.3753 ( 9820 PWs) bands (ev): -36.9822 -36.9822 -36.9765 -36.9765 -32.5058 -32.5058 -13.9330 -13.8800 -13.6166 -13.5598 -13.4968 -13.4852 -12.2892 -12.2777 -10.9031 -10.9024 -10.7892 -10.7889 -10.6630 -10.6571 0.1949 0.1957 1.2437 1.2443 1.7563 1.7606 2.2832 2.2881 3.4405 3.4427 3.4743 3.4758 3.9510 3.9512 4.3713 4.3736 4.4702 4.4725 4.6587 4.6610 4.7008 4.7028 5.0410 5.0418 11.7842 11.7856 12.1628 12.1635 12.4103 12.4199 13.3261 13.3280 k = 0.0000 0.0000 0.3903 ( 9824 PWs) bands (ev): -36.9821 -36.9821 -36.9765 -36.9765 -32.5057 -32.5057 -13.9352 -13.8821 -13.6194 -13.5611 -13.4987 -13.4883 -12.2829 -12.2707 -10.9022 -10.9008 -10.7884 -10.7881 -10.6657 -10.6596 0.1854 0.1863 1.2386 1.2391 1.7669 1.7709 2.3324 2.3373 3.4464 3.4481 3.4512 3.4518 3.9242 3.9244 4.3616 4.3637 4.4602 4.4622 4.6614 4.6635 4.6980 4.7003 5.0686 5.0692 11.8076 11.8089 12.2260 12.2268 12.4058 12.4157 13.3305 13.3324 k = 0.0000 0.0000 0.4054 ( 9832 PWs) bands (ev): -36.9820 -36.9820 -36.9766 -36.9766 -32.5057 -32.5057 -13.9371 -13.8842 -13.6217 -13.5622 -13.5006 -13.4916 -12.2774 -12.2647 -10.9004 -10.8982 -10.7877 -10.7873 -10.6685 -10.6623 0.1766 0.1774 1.2336 1.2342 1.7768 1.7805 2.3812 2.3862 3.4269 3.4276 3.4528 3.4550 3.8983 3.8989 4.3512 4.3532 4.4454 4.4471 4.6647 4.6667 4.6997 4.7023 5.0955 5.0959 11.8332 11.8345 12.2863 12.2871 12.4053 12.4154 13.3345 13.3364 k = 0.0000 0.0000 0.4204 ( 9832 PWs) bands (ev): -36.9819 -36.9819 -36.9767 -36.9767 -32.5057 -32.5057 -13.9387 -13.8863 -13.6236 -13.5633 -13.5025 -13.4949 -12.2729 -12.2598 -10.8978 -10.8949 -10.7870 -10.7865 -10.6715 -10.6652 0.1683 0.1692 1.2288 1.2293 1.7858 1.7892 2.4296 2.4347 3.4039 3.4042 3.4592 3.4614 3.8735 3.8745 4.3402 4.3422 4.4265 4.4278 4.6685 4.6704 4.7053 4.7079 5.1216 5.1219 11.8609 11.8622 12.3419 12.3420 12.4106 12.4202 13.3380 13.3398 k = 0.0000 0.0000 0.4354 ( 9844 PWs) bands (ev): -36.9819 -36.9819 -36.9768 -36.9768 -32.5057 -32.5057 -13.9399 -13.8883 -13.6251 -13.5643 -13.5044 -13.4982 -12.2692 -12.2558 -10.8943 -10.8908 -10.7863 -10.7857 -10.6747 -10.6683 0.1606 0.1615 1.2242 1.2247 1.7940 1.7971 2.4775 2.4826 3.3817 3.3819 3.4658 3.4679 3.8496 3.8509 4.3289 4.3308 4.4042 4.4053 4.6727 4.6745 4.7140 4.7166 5.1468 5.1469 11.8908 11.8921 12.3824 12.3862 12.4303 12.4361 13.3409 13.3428 k = 0.0000 0.0000 0.4504 ( 9842 PWs) bands (ev): -36.9818 -36.9818 -36.9769 -36.9769 -32.5056 -32.5056 -13.9408 -13.8904 -13.6261 -13.5653 -13.5063 -13.5016 -12.2663 -12.2527 -10.8901 -10.8859 -10.7856 -10.7849 -10.6781 -10.6716 0.1535 0.1544 1.2198 1.2203 1.8012 1.8040 2.5248 2.5298 3.3607 3.3613 3.4725 3.4745 3.8265 3.8282 4.3171 4.3191 4.3796 4.3803 4.6770 4.6788 4.7248 4.7273 5.1708 5.1708 11.9227 11.9240 12.4012 12.4099 12.4710 12.4719 13.3433 13.3451 k = 0.0000 0.0000 0.4654 ( 9844 PWs) bands (ev): -36.9817 -36.9817 -36.9769 -36.9769 -32.5056 -32.5056 -13.9414 -13.8925 -13.6267 -13.5662 -13.5082 -13.5050 -12.2641 -12.2505 -10.8853 -10.8804 -10.7849 -10.7842 -10.6816 -10.6750 0.1470 0.1478 1.2157 1.2162 1.8075 1.8100 2.5712 2.5763 3.3412 3.3423 3.4793 3.4812 3.8041 3.8062 4.3049 4.3071 4.3534 4.3537 4.6814 4.6831 4.7370 4.7394 5.1937 5.1938 11.9565 11.9578 12.4136 12.4240 12.5160 12.5169 13.3450 13.3467 k = 0.0000 0.0000 0.4804 ( 9838 PWs) bands (ev): -36.9816 -36.9816 -36.9770 -36.9770 -32.5056 -32.5056 -13.9417 -13.8946 -13.6268 -13.5671 -13.5101 -13.5083 -12.2625 -12.2491 -10.8798 -10.8744 -10.7843 -10.7835 -10.6853 -10.6786 0.1410 0.1418 1.2118 1.2123 1.8129 1.8150 2.6167 2.6218 3.3236 3.3251 3.4861 3.4879 3.7824 3.7849 4.2920 4.2945 4.3267 4.3269 4.6859 4.6875 4.7500 4.7523 5.2153 5.2155 11.9921 11.9933 12.4262 12.4374 12.5589 12.5607 13.3459 13.3475 k = 0.0000 0.0000 0.4954 ( 9842 PWs) bands (ev): -36.9815 -36.9815 -36.9770 -36.9770 -32.5056 -32.5056 -13.9417 -13.8967 -13.6265 -13.5681 -13.5119 -13.5115 -12.2615 -12.2484 -10.8738 -10.8679 -10.7837 -10.7828 -10.6892 -10.6824 0.1355 0.1363 1.2082 1.2086 1.8173 1.8191 2.6611 2.6661 3.3080 3.3098 3.4928 3.4946 3.7614 3.7642 4.2770 4.2800 4.3010 4.3019 4.6903 4.6918 4.7633 4.7654 5.2356 5.2359 12.0291 12.0303 12.4402 12.4518 12.5983 12.6008 13.3461 13.3476 k = 0.0000 0.0000 0.5105 ( 9838 PWs) bands (ev): -36.9815 -36.9815 -36.9771 -36.9771 -32.5055 -32.5055 -13.9414 -13.8988 -13.6257 -13.5692 -13.5146 -13.5137 -12.2610 -12.2482 -10.8674 -10.8610 -10.7831 -10.7822 -10.6932 -10.6864 0.1305 0.1312 1.2048 1.2052 1.8207 1.8223 2.7042 2.7090 3.2945 3.2965 3.4994 3.5011 3.7411 3.7442 4.2569 4.2597 4.2813 4.2822 4.6947 4.6961 4.7764 4.7785 5.2546 5.2549 12.0673 12.0685 12.4556 12.4675 12.6332 12.6365 13.3454 13.3469 k = 0.0000 0.0000 0.5255 ( 9840 PWs) bands (ev): -36.9814 -36.9814 -36.9771 -36.9771 -32.5055 -32.5055 -13.9409 -13.9010 -13.6246 -13.5704 -13.5175 -13.5155 -12.2608 -12.2486 -10.8607 -10.8539 -10.7826 -10.7815 -10.6973 -10.6905 0.1260 0.1267 1.2017 1.2021 1.8234 1.8246 2.7457 2.7504 3.2829 3.2852 3.5059 3.5074 3.7216 3.7250 4.2319 4.2340 4.2677 4.2681 4.6988 4.7001 4.7892 4.7911 5.2721 5.2724 12.1064 12.1076 12.4722 12.4843 12.6635 12.6674 13.3438 13.3455 k = 0.0000 0.0000 0.5405 ( 9842 PWs) bands (ev): -36.9813 -36.9813 -36.9772 -36.9772 -32.5055 -32.5055 -13.9400 -13.9032 -13.6230 -13.5719 -13.5202 -13.5172 -12.2608 -12.2494 -10.8537 -10.8467 -10.7820 -10.7809 -10.7015 -10.6948 0.1220 0.1226 1.1989 1.1992 1.8253 1.8263 2.7853 2.7898 3.2734 3.2759 3.5120 3.5134 3.7029 3.7064 4.2055 4.2071 4.2566 4.2566 4.7028 4.7040 4.8013 4.8030 5.2881 5.2885 12.1459 12.1470 12.4896 12.5018 12.6890 12.6936 13.3412 13.3430 k = 0.0000 0.0000 0.5555 ( 9836 PWs) bands (ev): -36.9813 -36.9813 -36.9772 -36.9772 -32.5055 -32.5055 -13.9390 -13.9054 -13.6211 -13.5735 -13.5225 -13.5189 -12.2610 -12.2505 -10.8467 -10.8395 -10.7816 -10.7804 -10.7058 -10.6992 0.1184 0.1190 1.1963 1.1966 1.8266 1.8274 2.8227 2.8270 3.2658 3.2684 3.5178 3.5191 3.6852 3.6888 4.1796 4.1808 4.2465 4.2466 4.7065 4.7075 4.8126 4.8141 5.3026 5.3030 12.1852 12.1862 12.5076 12.5197 12.7099 12.7151 13.3376 13.3396 k = 0.0000 0.0000 0.5705 ( 9838 PWs) bands (ev): -36.9812 -36.9812 -36.9773 -36.9773 -32.5055 -32.5055 -13.9377 -13.9077 -13.6189 -13.5755 -13.5245 -13.5205 -12.2613 -12.2518 -10.8397 -10.8324 -10.7811 -10.7798 -10.7101 -10.7038 0.1153 0.1158 1.1941 1.1943 1.8273 1.8279 2.8576 2.8616 3.2600 3.2625 3.5232 3.5244 3.6685 3.6722 4.1549 4.1559 4.2375 4.2377 4.7099 4.7108 4.8228 4.8242 5.3155 5.3158 12.2236 12.2246 12.5257 12.5374 12.7265 12.7322 13.3330 13.3350 k = 0.0000 0.0000 0.5855 ( 9834 PWs) bands (ev): -36.9812 -36.9812 -36.9773 -36.9773 -32.5055 -32.5055 -13.9362 -13.9100 -13.6163 -13.5778 -13.5262 -13.5220 -12.2616 -12.2532 -10.8328 -10.8257 -10.7807 -10.7793 -10.7144 -10.7083 0.1126 0.1131 1.1921 1.1923 1.8276 1.8281 2.8894 2.8931 3.2557 3.2582 3.5281 3.5291 3.6532 3.6567 4.1322 4.1330 4.2295 4.2297 4.7129 4.7137 4.8320 4.8331 5.3268 5.3271 12.2604 12.2613 12.5432 12.5544 12.7393 12.7452 13.3274 13.3294 k = 0.0000 0.0000 0.6005 ( 9826 PWs) bands (ev): -36.9811 -36.9811 -36.9774 -36.9774 -32.5054 -32.5054 -13.9345 -13.9124 -13.6134 -13.5803 -13.5275 -13.5234 -12.2619 -12.2547 -10.8263 -10.8194 -10.7802 -10.7788 -10.7185 -10.7128 0.1104 0.1107 1.1905 1.1906 1.8277 1.8280 2.9177 2.9209 3.2528 3.2551 3.5324 3.5332 3.6394 3.6427 4.1119 4.1125 4.2226 4.2228 4.7156 4.7162 4.8398 4.8408 5.3364 5.3366 12.2945 12.2953 12.5598 12.5701 12.7487 12.7547 13.3210 13.3229 k = 0.0000 0.0000 0.6156 ( 9826 PWs) bands (ev): -36.9811 -36.9811 -36.9774 -36.9774 -32.5054 -32.5054 -13.9327 -13.9147 -13.6104 -13.5832 -13.5283 -13.5247 -12.2621 -12.2562 -10.8202 -10.8140 -10.7797 -10.7784 -10.7222 -10.7172 0.1086 0.1089 1.1891 1.1893 1.8275 1.8278 2.9420 2.9447 3.2511 3.2531 3.5360 3.5367 3.6275 3.6304 4.0945 4.0949 4.2168 4.2170 4.7178 4.7183 4.8464 4.8472 5.3442 5.3445 12.3248 12.3255 12.5749 12.5839 12.7555 12.7610 13.3144 13.3161 k = 0.0000 0.0000 0.6306 ( 9828 PWs) bands (ev): -36.9811 -36.9811 -36.9774 -36.9774 -32.5054 -32.5054 -13.9307 -13.9171 -13.6071 -13.5863 -13.5288 -13.5259 -12.2620 -12.2576 -10.8149 -10.8096 -10.7792 -10.7780 -10.7253 -10.7212 0.1072 0.1074 1.1880 1.1882 1.8273 1.8275 2.9617 2.9638 3.2502 3.2518 3.5389 3.5395 3.6178 3.6202 4.0804 4.0807 4.2122 4.2124 4.7196 4.7200 4.8516 4.8522 5.3504 5.3506 12.3502 12.3508 12.5878 12.5951 12.7602 12.7649 13.3081 13.3095 k = 0.0000 0.0000 0.6456 ( 9822 PWs) bands (ev): -36.9811 -36.9811 -36.9774 -36.9774 -32.5054 -32.5054 -13.9286 -13.9195 -13.6037 -13.5896 -13.5290 -13.5269 -12.2618 -12.2588 -10.8105 -10.8066 -10.7786 -10.7777 -10.7276 -10.7246 0.1062 0.1063 1.1873 1.1874 1.8271 1.8272 2.9763 2.9777 3.2499 3.2510 3.5411 3.5415 3.6107 3.6124 4.0701 4.0703 4.2089 4.2091 4.7209 4.7211 4.8554 4.8558 5.3548 5.3549 12.3694 12.3698 12.5980 12.6033 12.7633 12.7668 13.3028 13.3038 k = 0.0000 0.0000 0.6606 ( 9822 PWs) bands (ev): -36.9810 -36.9810 -36.9774 -36.9774 -32.5054 -32.5054 -13.9264 -13.9218 -13.6002 -13.5931 -13.5288 -13.5277 -12.2614 -12.2599 -10.8072 -10.8052 -10.7781 -10.7776 -10.7288 -10.7272 0.1056 0.1057 1.1869 1.1869 1.8269 1.8270 2.9853 2.9861 3.2499 3.2505 3.5424 3.5426 3.6065 3.6074 4.0638 4.0639 4.2070 4.2070 4.7217 4.7218 4.8577 4.8579 5.3575 5.3576 12.3815 12.3817 12.6050 12.6077 12.7655 12.7673 13.2994 13.2999 k = 0.0000 0.0000 0.6756 ( 9818 PWs) bands (ev): -36.9810 -36.9810 -36.9774 -36.9774 -32.5054 -32.5054 -13.9241 -13.9241 -13.5966 -13.5966 -13.5284 -13.5284 -12.2608 -12.2608 -10.8054 -10.8054 -10.7777 -10.7777 -10.7287 -10.7287 0.1054 0.1054 1.1867 1.1867 1.8269 1.8269 2.9887 2.9887 3.2502 3.2502 3.5430 3.5430 3.6054 3.6054 4.0617 4.0617 4.2063 4.2063 4.7220 4.7220 4.8586 4.8586 5.3584 5.3584 12.3857 12.3857 12.6083 12.6083 12.7668 12.7668 13.2984 13.2984 k = 0.0000 0.0000 0.6756 ( 9818 PWs) bands (ev): -36.9810 -36.9810 -36.9774 -36.9774 -32.5054 -32.5054 -13.9241 -13.9241 -13.5966 -13.5966 -13.5284 -13.5284 -12.2608 -12.2608 -10.8054 -10.8054 -10.7777 -10.7777 -10.7287 -10.7287 0.1054 0.1054 1.1867 1.1867 1.8269 1.8269 2.9887 2.9887 3.2502 3.2502 3.5430 3.5430 3.6054 3.6054 4.0617 4.0617 4.2063 4.2063 4.7220 4.7220 4.8586 4.8586 5.3584 5.3584 12.3857 12.3857 12.6083 12.6083 12.7668 12.7668 13.2984 13.2984 k =-0.0112 0.0102 0.6756 ( 9830 PWs) bands (ev): -36.9810 -36.9810 -36.9774 -36.9774 -32.5054 -32.5054 -13.9246 -13.9238 -13.5969 -13.5965 -13.5290 -13.5283 -12.2609 -12.2591 -10.8079 -10.8039 -10.7804 -10.7746 -10.7288 -10.7286 0.1051 0.1053 1.1886 1.1889 1.8272 1.8273 2.9878 2.9883 3.2484 3.2487 3.5433 3.5437 3.6043 3.6049 4.0598 4.0620 4.2055 4.2068 4.7217 4.7230 4.8592 4.8604 5.3575 5.3576 12.3852 12.3854 12.6075 12.6076 12.7667 12.7668 13.2858 13.2916 k =-0.0224 0.0204 0.6756 ( 9830 PWs) bands (ev): -36.9810 -36.9810 -36.9774 -36.9774 -32.5054 -32.5054 -13.9253 -13.9236 -13.5973 -13.5964 -13.5302 -13.5287 -12.2595 -12.2560 -10.8112 -10.8040 -10.7822 -10.7715 -10.7290 -10.7285 0.1043 0.1047 1.1945 1.1950 1.8282 1.8283 2.9857 2.9868 3.2436 3.2442 3.5447 3.5455 3.6016 3.6029 4.0564 4.0606 4.2046 4.2070 4.7222 4.7248 4.8622 4.8645 5.3550 5.3551 12.3840 12.3842 12.6050 12.6053 12.7667 12.7669 13.2605 13.2690 k =-0.0336 0.0306 0.6756 ( 9830 PWs) bands (ev): -36.9810 -36.9810 -36.9775 -36.9775 -32.5054 -32.5054 -13.9261 -13.9236 -13.5979 -13.5965 -13.5319 -13.5296 -12.2567 -12.2514 -10.8151 -10.8059 -10.7829 -10.7685 -10.7293 -10.7285 0.1030 0.1036 1.2043 1.2052 1.8299 1.8300 2.9824 2.9840 3.2360 3.2369 3.5469 3.5480 3.5973 3.5993 4.0518 4.0577 4.2033 4.2068 4.7236 4.7273 4.8675 4.8708 5.3508 5.3510 12.3820 12.3824 12.6008 12.6012 12.7665 12.7669 13.2287 13.2382 k =-0.0449 0.0408 0.6756 ( 9832 PWs) bands (ev): -36.9810 -36.9810 -36.9775 -36.9775 -32.5054 -32.5054 -13.9270 -13.9237 -13.5986 -13.5967 -13.5342 -13.5309 -12.2524 -12.2454 -10.8194 -10.8095 -10.7826 -10.7658 -10.7296 -10.7285 0.1014 0.1022 1.2180 1.2191 1.8322 1.8323 2.9778 2.9800 3.2259 3.2272 3.5495 3.5509 3.5914 3.5939 4.0461 4.0535 4.2018 4.2059 4.7260 4.7308 4.8750 4.8793 5.3450 5.3453 12.3793 12.3798 12.5948 12.5953 12.7663 12.7668 13.1936 13.2034 k =-0.0561 0.0509 0.6756 ( 9832 PWs) bands (ev): -36.9810 -36.9810 -36.9775 -36.9775 -32.5054 -32.5054 -13.9281 -13.9240 -13.5995 -13.5970 -13.5369 -13.5326 -12.2467 -12.2382 -10.8242 -10.8142 -10.7816 -10.7632 -10.7299 -10.7286 0.0995 0.1004 1.2354 1.2367 1.8353 1.8354 2.9719 2.9747 3.2140 3.2158 3.5522 3.5538 3.5837 3.5866 4.0397 4.0481 4.1998 4.2043 4.7296 4.7353 4.8844 4.8896 5.3377 5.3380 12.3761 12.3768 12.5866 12.5873 12.7660 12.7665 13.1565 13.1661 k =-0.0673 0.0611 0.6756 ( 9828 PWs) bands (ev): -36.9809 -36.9809 -36.9775 -36.9775 -32.5054 -32.5054 -13.9294 -13.9244 -13.6005 -13.5975 -13.5401 -13.5346 -12.2397 -12.2297 -10.8292 -10.8198 -10.7804 -10.7609 -10.7303 -10.7287 0.0974 0.0985 1.2563 1.2579 1.8391 1.8392 2.9647 2.9680 3.2008 3.2029 3.5545 3.5562 3.5741 3.5775 4.0328 4.0419 4.1972 4.2019 4.7344 4.7409 4.8957 4.9016 5.3289 5.3293 12.3726 12.3733 12.5761 12.5770 12.7653 12.7660 13.1180 13.1273 k =-0.0785 0.0713 0.6756 ( 9824 PWs) bands (ev): -36.9809 -36.9809 -36.9776 -36.9776 -32.5054 -32.5054 -13.9309 -13.9249 -13.6017 -13.5980 -13.5437 -13.5368 -12.2316 -12.2202 -10.8346 -10.8259 -10.7791 -10.7588 -10.7307 -10.7289 0.0952 0.0964 1.2805 1.2824 1.8436 1.8437 2.9560 2.9599 3.1866 3.1893 3.5559 3.5571 3.5627 3.5669 4.0256 4.0350 4.1941 4.1985 4.7405 4.7478 4.9086 4.9152 5.3188 5.3193 12.3688 12.3696 12.5631 12.5642 12.7644 12.7651 13.0787 13.0876 k =-0.0897 0.0815 0.6756 ( 9820 PWs) bands (ev): -36.9808 -36.9808 -36.9776 -36.9776 -32.5053 -32.5053 -13.9325 -13.9254 -13.6030 -13.5986 -13.5477 -13.5393 -12.2224 -12.2097 -10.8403 -10.8324 -10.7779 -10.7569 -10.7311 -10.7291 0.0930 0.0944 1.3078 1.3100 1.8489 1.8490 2.9458 2.9503 3.1720 3.1751 3.5479 3.5502 3.5577 3.5611 4.0184 4.0276 4.1902 4.1942 4.7480 4.7559 4.9230 4.9301 5.3075 5.3081 12.3649 12.3658 12.5474 12.5488 12.7629 12.7637 13.0389 13.0472 k =-0.1009 0.0917 0.6756 ( 9828 PWs) bands (ev): -36.9808 -36.9808 -36.9777 -36.9777 -32.5053 -32.5053 -13.9342 -13.9261 -13.6045 -13.5993 -13.5520 -13.5419 -12.2122 -12.1985 -10.8461 -10.8391 -10.7767 -10.7553 -10.7316 -10.7294 0.0909 0.0924 1.3381 1.3406 1.8550 1.8551 2.9341 2.9391 3.1573 3.1609 3.5320 3.5349 3.5572 3.5601 4.0111 4.0198 4.1857 4.1890 4.7569 4.7654 4.9386 4.9463 5.2951 5.2957 12.3611 12.3620 12.5289 12.5305 12.7610 12.7618 12.9988 13.0065 k =-0.1121 0.1019 0.6756 ( 9832 PWs) bands (ev): -36.9808 -36.9808 -36.9777 -36.9777 -32.5053 -32.5053 -13.9361 -13.9269 -13.6061 -13.6001 -13.5566 -13.5446 -12.2014 -12.1867 -10.8520 -10.8460 -10.7756 -10.7538 -10.7321 -10.7297 0.0890 0.0906 1.3710 1.3738 1.8619 1.8620 2.9210 2.9265 3.1428 3.1469 3.5138 3.5167 3.5556 3.5585 4.0038 4.0116 4.1805 4.1829 4.7672 4.7762 4.9554 4.9636 5.2818 5.2825 12.3576 12.3585 12.5074 12.5094 12.7584 12.7593 12.9588 12.9658 k =-0.1233 0.1121 0.6756 ( 9834 PWs) bands (ev): -36.9807 -36.9807 -36.9778 -36.9778 -32.5053 -32.5053 -13.9381 -13.9278 -13.6078 -13.6010 -13.5613 -13.5473 -12.1899 -12.1744 -10.8580 -10.8528 -10.7746 -10.7525 -10.7327 -10.7300 0.0874 0.0891 1.4063 1.4094 1.8697 1.8698 2.9066 2.9124 3.1288 3.1333 3.4933 3.4960 3.5528 3.5556 3.9962 4.0029 4.1748 4.1760 4.7788 4.7882 4.9732 4.9818 5.2678 5.2686 12.3544 12.3554 12.4831 12.4854 12.7552 12.7560 12.9189 12.9253 k =-0.1346 0.1223 0.6756 ( 9830 PWs) bands (ev): -36.9806 -36.9806 -36.9778 -36.9778 -32.5053 -32.5053 -13.9401 -13.9287 -13.6096 -13.6020 -13.5661 -13.5501 -12.1779 -12.1618 -10.8640 -10.8596 -10.7737 -10.7514 -10.7332 -10.7304 0.0861 0.0878 1.4439 1.4473 1.8785 1.8785 2.8908 2.8970 3.1154 3.1202 3.4706 3.4732 3.5486 3.5515 3.9883 3.9936 4.1685 4.1685 4.7916 4.8014 4.9919 5.0009 5.2532 5.2541 12.3517 12.3527 12.4561 12.4587 12.7511 12.7520 12.8794 12.8850 k =-0.1458 0.1325 0.6756 ( 9838 PWs) bands (ev): -36.9806 -36.9806 -36.9779 -36.9779 -32.5052 -32.5052 -13.9423 -13.9297 -13.6115 -13.6031 -13.5710 -13.5528 -12.1657 -12.1491 -10.8698 -10.8662 -10.7729 -10.7503 -10.7338 -10.7308 0.0851 0.0869 1.4834 1.4871 1.8883 1.8883 2.8739 2.8803 3.1025 3.1076 3.4459 3.4482 3.5432 3.5460 3.9798 3.9835 4.1604 4.1618 4.8056 4.8158 5.0113 5.0207 5.2383 5.2392 12.3497 12.3507 12.4265 12.4295 12.7462 12.7471 12.8404 12.8454 k =-0.1570 0.1427 0.6756 ( 9838 PWs) bands (ev): -36.9805 -36.9805 -36.9780 -36.9780 -32.5052 -32.5052 -13.9446 -13.9308 -13.6134 -13.6044 -13.5758 -13.5555 -12.1534 -12.1364 -10.8754 -10.8724 -10.7722 -10.7494 -10.7344 -10.7312 0.0846 0.0864 1.5247 1.5287 1.8990 1.8991 2.8561 2.8627 3.0903 3.0956 3.4194 3.4213 3.5365 3.5393 3.9702 3.9723 4.1519 4.1548 4.8206 4.8311 5.0314 5.0411 5.2233 5.2242 12.3484 12.3494 12.3946 12.3980 12.7405 12.7413 12.8021 12.8064 k =-0.1682 0.1528 0.6756 ( 9834 PWs) bands (ev): -36.9804 -36.9804 -36.9780 -36.9780 -32.5052 -32.5052 -13.9469 -13.9319 -13.6154 -13.6058 -13.5804 -13.5581 -12.1412 -12.1241 -10.8807 -10.8782 -10.7716 -10.7486 -10.7351 -10.7316 0.0844 0.0863 1.5675 1.5718 1.9110 1.9112 2.8375 2.8442 3.0786 3.0841 3.3912 3.3928 3.5286 3.5313 3.9594 3.9598 4.1431 4.1473 4.8365 4.8473 5.0520 5.0620 5.2085 5.2093 12.3475 12.3488 12.3608 12.3649 12.7338 12.7346 12.7646 12.7683 k =-0.1794 0.1630 0.6756 ( 9846 PWs) bands (ev): -36.9803 -36.9803 -36.9781 -36.9781 -32.5052 -32.5052 -13.9492 -13.9330 -13.6173 -13.6074 -13.5849 -13.5606 -12.1292 -12.1121 -10.8855 -10.8834 -10.7711 -10.7478 -10.7358 -10.7321 0.0846 0.0865 1.6116 1.6162 1.9241 1.9245 2.8183 2.8251 3.0675 3.0731 3.3616 3.3629 3.5196 3.5223 3.9459 3.9470 4.1339 4.1394 4.8532 4.8642 5.0730 5.0834 5.1940 5.1948 12.3250 12.3283 12.3492 12.3494 12.7262 12.7268 12.7281 12.7312 k =-0.1906 0.1732 0.6756 ( 9856 PWs) bands (ev): -36.9803 -36.9803 -36.9782 -36.9782 -32.5051 -32.5051 -13.9516 -13.9342 -13.6192 -13.6093 -13.5890 -13.5630 -12.1177 -12.1007 -10.8899 -10.8880 -10.7707 -10.7472 -10.7364 -10.7326 0.0852 0.0871 1.6566 1.6616 1.9386 1.9391 2.7988 2.8055 3.0568 3.0624 3.3307 3.3317 3.5097 3.5123 3.9304 3.9328 4.1243 4.1309 4.8706 4.8817 5.0943 5.1051 5.1803 5.1809 12.2882 12.2920 12.3502 12.3507 12.6926 12.6951 12.7176 12.7183 k =-0.2018 0.1834 0.6756 ( 9856 PWs) bands (ev): -36.9802 -36.9802 -36.9783 -36.9783 -32.5051 -32.5051 -13.9539 -13.9353 -13.6211 -13.6114 -13.5927 -13.5654 -12.1067 -12.0900 -10.8936 -10.8919 -10.7703 -10.7466 -10.7371 -10.7330 0.0862 0.0880 1.7025 1.7078 1.9546 1.9554 2.7791 2.7858 3.0464 3.0521 3.2988 3.2997 3.4989 3.5014 3.9133 3.9169 4.1139 4.1216 4.8885 4.8997 5.1155 5.1270 5.1677 5.1679 12.2503 12.2544 12.3526 12.3530 12.6584 12.6604 12.7081 12.7087 k =-0.2130 0.1936 0.6756 ( 9856 PWs) bands (ev): -36.9801 -36.9801 -36.9784 -36.9784 -32.5051 -32.5051 -13.9562 -13.9365 -13.6228 -13.6138 -13.5959 -13.5677 -12.0964 -12.0802 -10.8967 -10.8949 -10.7700 -10.7460 -10.7378 -10.7335 0.0875 0.0892 1.7488 1.7545 1.9723 1.9733 2.7594 2.7660 3.0364 3.0420 3.2663 3.2669 3.4875 3.4898 3.8945 3.8991 4.1027 4.1111 4.9067 4.9181 5.1354 5.1490 5.1561 5.1578 12.2118 12.2161 12.3559 12.3563 12.6255 12.6271 12.6977 12.6982 k =-0.2243 0.2038 0.6756 ( 9856 PWs) bands (ev): -36.9800 -36.9800 -36.9784 -36.9784 -32.5050 -32.5050 -13.9585 -13.9377 -13.6244 -13.6165 -13.5986 -13.5700 -12.0869 -12.0713 -10.8990 -10.8970 -10.7698 -10.7456 -10.7385 -10.7340 0.0890 0.0906 1.7951 1.8012 1.9919 1.9933 2.7398 2.7463 3.0265 3.0321 3.2332 3.2337 3.4754 3.4777 3.8741 3.8794 4.0901 4.0991 4.9253 4.9367 5.1410 5.1456 5.1637 5.1710 12.1729 12.1772 12.3602 12.3605 12.5941 12.5953 12.6865 12.6868 k =-0.2355 0.2140 0.6756 ( 9860 PWs) bands (ev): -36.9799 -36.9799 -36.9785 -36.9785 -32.5050 -32.5050 -13.9607 -13.9389 -13.6259 -13.6194 -13.6009 -13.5722 -12.0784 -12.0635 -10.9004 -10.8981 -10.7697 -10.7451 -10.7392 -10.7345 0.0907 0.0922 1.8411 1.8477 2.0138 2.0156 2.7205 2.7268 3.0169 3.0224 3.1999 3.2002 3.4629 3.4650 3.8522 3.8581 4.0760 4.0853 4.9440 4.9554 5.1340 5.1367 5.1837 5.1929 12.1339 12.1383 12.3655 12.3657 12.5643 12.5653 12.6744 12.6745 k =-0.2467 0.2242 0.6756 ( 9852 PWs) bands (ev): -36.9798 -36.9798 -36.9786 -36.9786 -32.5050 -32.5050 -13.9627 -13.9400 -13.6273 -13.6223 -13.6028 -13.5744 -12.0708 -12.0568 -10.9010 -10.8982 -10.7696 -10.7447 -10.7399 -10.7349 0.0925 0.0940 1.8863 1.8933 2.0384 2.0406 2.7016 2.7077 3.0074 3.0128 3.1665 3.1668 3.4501 3.4521 3.8288 3.8351 4.0598 4.0694 4.9628 4.9742 5.1274 5.1297 5.2050 5.2146 12.0950 12.0994 12.3718 12.3718 12.5364 12.5371 12.6616 12.6616 k =-0.2579 0.2344 0.6756 ( 9844 PWs) bands (ev): -36.9797 -36.9797 -36.9787 -36.9787 -32.5049 -32.5049 -13.9647 -13.9412 -13.6285 -13.6252 -13.6045 -13.5765 -12.0644 -12.0513 -10.9007 -10.8973 -10.7696 -10.7444 -10.7405 -10.7354 0.0944 0.0958 1.9300 1.9375 2.0663 2.0688 2.6831 2.6891 2.9980 3.0033 3.1333 3.1337 3.4370 3.4389 3.8041 3.8106 4.0414 4.0511 4.9815 4.9929 5.1225 5.1246 5.2262 5.2361 12.0564 12.0608 12.3786 12.3789 12.5104 12.5109 12.6479 12.6481 k =-0.2691 0.2445 0.6756 ( 9852 PWs) bands (ev): -36.9797 -36.9797 -36.9788 -36.9788 -32.5049 -32.5049 -13.9665 -13.9423 -13.6295 -13.6279 -13.6060 -13.5786 -12.0591 -12.0470 -10.8995 -10.8953 -10.7696 -10.7442 -10.7411 -10.7358 0.0963 0.0976 1.9718 1.9794 2.0979 2.1008 2.6652 2.6710 2.9888 2.9940 3.1006 3.1010 3.4239 3.4257 3.7780 3.7848 4.0205 4.0303 5.0001 5.0114 5.1195 5.1215 5.2472 5.2571 12.0184 12.0227 12.3863 12.3867 12.4864 12.4868 12.6337 12.6341 k =-0.2803 0.2547 0.6756 ( 9860 PWs) bands (ev): -36.9796 -36.9796 -36.9789 -36.9789 -32.5049 -32.5049 -13.9682 -13.9435 -13.6305 -13.6304 -13.6073 -13.5807 -12.0549 -12.0438 -10.8974 -10.8924 -10.7697 -10.7441 -10.7416 -10.7362 0.0982 0.0994 2.0113 2.0189 2.1337 2.1365 2.6479 2.6535 2.9797 2.9847 3.0685 3.0690 3.4108 3.4124 3.7508 3.7577 3.9970 4.0068 5.0184 5.0297 5.1185 5.1204 5.2679 5.2777 11.9812 11.9853 12.3945 12.3953 12.4646 12.4649 12.6191 12.6197 k =-0.2915 0.2649 0.6756 ( 9850 PWs) bands (ev): -36.9795 -36.9795 -36.9790 -36.9790 -32.5048 -32.5048 -13.9697 -13.9446 -13.6328 -13.6311 -13.6086 -13.5828 -12.0518 -12.0418 -10.8945 -10.8885 -10.7699 -10.7442 -10.7418 -10.7366 0.1000 0.1011 2.0487 2.0560 2.1732 2.1759 2.6314 2.6367 2.9706 2.9754 3.0373 3.0379 3.3978 3.3994 3.7225 3.7295 3.9709 3.9806 5.0365 5.0476 5.1194 5.1213 5.2880 5.2977 11.9448 11.9487 12.4031 12.4044 12.4452 12.4453 12.6042 12.6051 k =-0.3027 0.2751 0.6756 ( 9850 PWs) bands (ev): -36.9794 -36.9794 -36.9790 -36.9790 -32.5048 -32.5048 -13.9710 -13.9457 -13.6348 -13.6317 -13.6097 -13.5849 -12.0498 -12.0409 -10.8908 -10.8837 -10.7701 -10.7445 -10.7419 -10.7369 0.1017 0.1026 2.0846 2.0915 2.2157 2.2181 2.6155 2.6207 2.9617 2.9662 3.0070 3.0080 3.3851 3.3865 3.6930 3.7001 3.9420 3.9518 5.0541 5.0651 5.1221 5.1240 5.3075 5.3170 11.9094 11.9132 12.4112 12.4139 12.4280 12.4290 12.5892 12.5905 k =-0.3027 0.2751 0.6756 ( 9850 PWs) bands (ev): -36.9794 -36.9794 -36.9790 -36.9790 -32.5048 -32.5048 -13.9710 -13.9457 -13.6348 -13.6317 -13.6097 -13.5849 -12.0498 -12.0409 -10.8908 -10.8837 -10.7701 -10.7445 -10.7419 -10.7369 0.1017 0.1026 2.0846 2.0915 2.2157 2.2181 2.6155 2.6207 2.9617 2.9662 3.0070 3.0080 3.3851 3.3865 3.6930 3.7001 3.9420 3.9518 5.0541 5.0651 5.1221 5.1240 5.3075 5.3170 11.9094 11.9132 12.4112 12.4139 12.4280 12.4290 12.5892 12.5905 k =-0.3103 0.2820 0.6654 ( 9850 PWs) bands (ev): -36.9793 -36.9793 -36.9791 -36.9791 -32.5048 -32.5048 -13.9718 -13.9465 -13.6361 -13.6319 -13.6107 -13.5860 -12.0489 -12.0408 -10.8879 -10.8801 -10.7712 -10.7456 -10.7434 -10.7341 0.1027 0.1036 2.1087 2.1152 2.2458 2.2480 2.6053 2.6103 2.9495 2.9560 2.9867 2.9928 3.3785 3.3801 3.6741 3.6811 3.9213 3.9311 5.0653 5.0762 5.1248 5.1267 5.3200 5.3294 11.8861 11.8898 12.4102 12.4151 12.4223 12.4262 12.5788 12.5804 k =-0.3179 0.2889 0.6551 ( 9854 PWs) bands (ev): -36.9793 -36.9793 -36.9791 -36.9791 -32.5048 -32.5048 -13.9726 -13.9471 -13.6374 -13.6320 -13.6119 -13.5865 -12.0483 -12.0408 -10.8847 -10.8761 -10.7740 -10.7506 -10.7417 -10.7299 0.1036 0.1043 2.1332 2.1395 2.2768 2.2789 2.5956 2.6006 2.9258 2.9340 2.9730 2.9823 3.3756 3.3778 3.6577 3.6647 3.9000 3.9097 5.0754 5.0861 5.1279 5.1300 5.3318 5.3410 11.8635 11.8671 12.4019 12.4056 12.4279 12.4314 12.5680 12.5700 k =-0.3255 0.2958 0.6449 ( 9851 PWs) bands (ev): -36.9792 -36.9792 -36.9792 -36.9792 -32.5047 -32.5047 -13.9734 -13.9477 -13.6386 -13.6321 -13.6135 -13.5865 -12.0478 -12.0411 -10.8812 -10.8718 -10.7777 -10.7559 -10.7391 -10.7258 0.1043 0.1050 2.1586 2.1646 2.3083 2.3103 2.5867 2.5915 2.8957 2.9035 2.9627 2.9725 3.3760 3.3789 3.6440 3.6509 3.8781 3.8880 5.0841 5.0947 5.1316 5.1338 5.3426 5.3517 11.8420 11.8455 12.3934 12.3967 12.4331 12.4369 12.5572 12.5597 k =-0.3331 0.3027 0.6346 ( 9839 PWs) bands (ev): -36.9792 -36.9792 -36.9792 -36.9792 -32.5047 -32.5047 -13.9741 -13.9483 -13.6396 -13.6322 -13.6151 -13.5861 -12.0475 -12.0415 -10.8775 -10.8673 -10.7820 -10.7615 -10.7362 -10.7220 0.1049 0.1055 2.1849 2.1907 2.3397 2.3418 2.5785 2.5833 2.8623 2.8694 2.9512 2.9610 3.3791 3.3830 3.6330 3.6399 3.8560 3.8658 5.0914 5.1018 5.1358 5.1382 5.3526 5.3614 11.8220 11.8254 12.3860 12.3893 12.4367 12.4410 12.5471 12.5500 k =-0.3407 0.3096 0.6243 ( 9837 PWs) bands (ev): -36.9793 -36.9793 -36.9792 -36.9792 -32.5047 -32.5047 -13.9748 -13.9488 -13.6405 -13.6323 -13.6168 -13.5855 -12.0472 -12.0420 -10.8736 -10.8626 -10.7867 -10.7671 -10.7334 -10.7185 0.1054 0.1060 2.2123 2.2179 2.3708 2.3730 2.5711 2.5760 2.8272 2.8337 2.9375 2.9471 3.3844 3.3893 3.6248 3.6316 3.8336 3.8436 5.0974 5.1075 5.1404 5.1430 5.3616 5.3702 11.8036 11.8069 12.3801 12.3834 12.4382 12.4431 12.5381 12.5416 k =-0.3483 0.3165 0.6141 ( 9835 PWs) bands (ev): -36.9793 -36.9793 -36.9791 -36.9791 -32.5047 -32.5047 -13.9753 -13.9492 -13.6413 -13.6324 -13.6183 -13.5848 -12.0471 -12.0426 -10.8694 -10.8576 -10.7915 -10.7729 -10.7307 -10.7154 0.1058 0.1063 2.2407 2.2461 2.4008 2.4034 2.5646 2.5696 2.7914 2.7973 2.9214 2.9309 3.3913 3.3972 3.6193 3.6260 3.8113 3.8214 5.1021 5.1120 5.1452 5.1479 5.3696 5.3781 11.7870 11.7902 12.3757 12.3791 12.4372 12.4426 12.5309 12.5349 k =-0.3559 0.3234 0.6038 ( 9843 PWs) bands (ev): -36.9793 -36.9793 -36.9791 -36.9791 -32.5047 -32.5047 -13.9759 -13.9496 -13.6419 -13.6327 -13.6197 -13.5841 -12.0470 -12.0432 -10.8652 -10.8526 -10.7964 -10.7786 -10.7283 -10.7126 0.1061 0.1065 2.2702 2.2755 2.4290 2.4322 2.5591 2.5643 2.7559 2.7613 2.9034 2.9127 3.3990 3.4061 3.6164 3.6231 3.7892 3.7995 5.1059 5.1155 5.1500 5.1526 5.3767 5.3849 11.7723 11.7756 12.3728 12.3764 12.4337 12.4394 12.5259 12.5301 k =-0.3634 0.3303 0.5936 ( 9835 PWs) bands (ev): -36.9793 -36.9793 -36.9791 -36.9791 -32.5047 -32.5047 -13.9763 -13.9499 -13.6424 -13.6329 -13.6209 -13.5834 -12.0469 -12.0438 -10.8609 -10.8474 -10.8012 -10.7844 -10.7262 -10.7103 0.1064 0.1067 2.3006 2.3057 2.4544 2.4583 2.5545 2.5599 2.7220 2.7268 2.8839 2.8932 3.4070 3.4152 3.6162 3.6228 3.7677 3.7782 5.1088 5.1183 5.1544 5.1569 5.3827 5.3907 11.7598 11.7630 12.3716 12.3753 12.4281 12.4338 12.5230 12.5271 k =-0.3710 0.3372 0.5833 ( 9830 PWs) bands (ev): -36.9794 -36.9794 -36.9790 -36.9790 -32.5047 -32.5047 -13.9767 -13.9502 -13.6428 -13.6333 -13.6218 -13.5828 -12.0469 -12.0443 -10.8566 -10.8422 -10.8058 -10.7901 -10.7244 -10.7083 0.1065 0.1068 2.3317 2.3367 2.4752 2.4799 2.5503 2.5561 2.6916 2.6957 2.8639 2.8732 3.4147 3.4239 3.6184 3.6250 3.7471 3.7578 5.1111 5.1204 5.1584 5.1605 5.3877 5.3955 11.7494 11.7525 12.3719 12.3758 12.4211 12.4265 12.5217 12.5254 k =-0.3786 0.3441 0.5731 ( 9833 PWs) bands (ev): -36.9794 -36.9794 -36.9790 -36.9790 -32.5047 -32.5047 -13.9770 -13.9504 -13.6430 -13.6336 -13.6225 -13.5822 -12.0468 -12.0449 -10.8524 -10.8373 -10.8100 -10.7957 -10.7230 -10.7068 0.1067 0.1069 2.3629 2.3677 2.4898 2.4951 2.5449 2.5515 2.6678 2.6713 2.8447 2.8540 3.4213 3.4314 3.6229 3.6292 3.7280 3.7390 5.1128 5.1219 5.1617 5.1634 5.3915 5.3992 11.7412 11.7444 12.3736 12.3778 12.4133 12.4184 12.5213 12.5246 k =-0.3862 0.3509 0.5628 ( 9824 PWs) bands (ev): -36.9794 -36.9794 -36.9790 -36.9790 -32.5047 -32.5047 -13.9772 -13.9505 -13.6432 -13.6338 -13.6230 -13.5818 -12.0466 -12.0454 -10.8487 -10.8329 -10.8133 -10.8011 -10.7220 -10.7057 0.1067 0.1069 2.3934 2.3978 2.4964 2.5020 2.5361 2.5443 2.6537 2.6568 2.8280 2.8375 3.4264 3.4373 3.6291 3.6346 3.7114 3.7226 5.1139 5.1230 5.1641 5.1655 5.3943 5.4019 11.7354 11.7385 12.3767 12.3811 12.4057 12.4102 12.5213 12.5243 k =-0.3938 0.3578 0.5526 ( 9816 PWs) bands (ev): -36.9794 -36.9794 -36.9790 -36.9790 -32.5047 -32.5047 -13.9773 -13.9506 -13.6433 -13.6340 -13.6233 -13.5816 -12.0464 -12.0458 -10.8459 -10.8299 -10.8148 -10.8056 -10.7214 -10.7050 0.1068 0.1069 2.4204 2.4239 2.4941 2.4984 2.5276 2.5365 2.6489 2.6515 2.8162 2.8259 3.4296 3.4410 3.6358 3.6394 3.6991 3.7105 5.1146 5.1236 5.1657 5.1667 5.3960 5.4035 11.7319 11.7350 12.3805 12.3850 12.3993 12.4027 12.5215 12.5243 k =-0.4014 0.3647 0.5423 ( 9818 PWs) bands (ev): -36.9794 -36.9794 -36.9790 -36.9790 -32.5047 -32.5047 -13.9774 -13.9506 -13.6433 -13.6341 -13.6234 -13.5815 -12.0462 -12.0461 -10.8448 -10.8289 -10.8147 -10.8079 -10.7212 -10.7048 0.1069 0.1069 2.4344 2.4358 2.4903 2.4911 2.5252 2.5335 2.6485 2.6504 2.8119 2.8216 3.4307 3.4422 3.6399 3.6404 3.6944 3.7057 5.1148 5.1239 5.1662 5.1671 5.3966 5.4040 11.7307 11.7338 12.3830 12.3873 12.3973 12.3981 12.5215 12.5242 k =-0.4014 0.3647 0.5423 ( 9818 PWs) bands (ev): -36.9794 -36.9794 -36.9790 -36.9790 -32.5047 -32.5047 -13.9774 -13.9506 -13.6433 -13.6341 -13.6234 -13.5815 -12.0462 -12.0461 -10.8448 -10.8289 -10.8147 -10.8079 -10.7212 -10.7048 0.1069 0.1069 2.4344 2.4358 2.4903 2.4911 2.5252 2.5335 2.6485 2.6504 2.8119 2.8216 3.4307 3.4422 3.6399 3.6404 3.6944 3.7057 5.1148 5.1239 5.1662 5.1671 5.3966 5.4040 11.7307 11.7338 12.3830 12.3873 12.3973 12.3981 12.5215 12.5242 k =-0.3933 0.3574 0.5315 ( 9822 PWs) bands (ev): -36.9793 -36.9793 -36.9791 -36.9791 -32.5047 -32.5047 -13.9777 -13.9493 -13.6450 -13.6334 -13.6233 -13.5769 -12.0417 -12.0416 -10.8487 -10.8328 -10.8229 -10.8160 -10.7177 -10.7009 0.1063 0.1063 2.4050 2.4069 2.4876 2.4893 2.5259 2.5338 2.6141 2.6159 2.8093 2.8195 3.4651 3.4764 3.6838 3.6841 3.7321 3.7432 5.0973 5.1066 5.1550 5.1559 5.3814 5.3892 11.7516 11.7550 12.3756 12.3793 12.3983 12.3995 12.5247 12.5270 k =-0.3853 0.3501 0.5206 ( 9826 PWs) bands (ev): -36.9792 -36.9792 -36.9792 -36.9792 -32.5047 -32.5047 -13.9778 -13.9480 -13.6467 -13.6325 -13.6231 -13.5723 -12.0373 -12.0372 -10.8527 -10.8366 -10.8314 -10.8241 -10.7142 -10.6970 0.1054 0.1054 2.3757 2.3781 2.4872 2.4901 2.5248 2.5319 2.5792 2.5808 2.8093 2.8198 3.5001 3.5111 3.7272 3.7274 3.7700 3.7808 5.0790 5.0886 5.1430 5.1440 5.3653 5.3734 11.7715 11.7752 12.3672 12.3703 12.3998 12.4012 12.5304 12.5322 k =-0.3773 0.3429 0.5098 ( 9834 PWs) bands (ev): -36.9793 -36.9793 -36.9792 -36.9792 -32.5047 -32.5047 -13.9779 -13.9467 -13.6482 -13.6314 -13.6227 -13.5675 -12.0332 -12.0331 -10.8569 -10.8415 -10.8390 -10.8321 -10.7107 -10.6932 0.1044 0.1044 2.3468 2.3495 2.4885 2.4934 2.5223 2.5267 2.5445 2.5454 2.8125 2.8230 3.5354 3.5460 3.7697 3.7698 3.8079 3.8185 5.0601 5.0699 5.1305 5.1316 5.3483 5.3568 11.7897 11.7937 12.3588 12.3614 12.4016 12.4031 12.5386 12.5398 k =-0.3693 0.3356 0.4990 ( 9838 PWs) bands (ev): -36.9794 -36.9794 -36.9791 -36.9791 -32.5048 -32.5048 -13.9778 -13.9453 -13.6496 -13.6302 -13.6222 -13.5626 -12.0296 -12.0294 -10.8615 -10.8496 -10.8432 -10.8394 -10.7071 -10.6895 0.1031 0.1031 2.3180 2.3212 2.4893 2.4985 2.5066 2.5097 2.5202 2.5225 2.8192 2.8295 3.5709 3.5811 3.8110 3.8112 3.8460 3.8561 5.0407 5.0507 5.1174 5.1186 5.3305 5.3392 11.8053 11.8095 12.3515 12.3535 12.4037 12.4053 12.5490 12.5497 k =-0.3612 0.3283 0.4881 ( 9836 PWs) bands (ev): -36.9795 -36.9795 -36.9790 -36.9790 -32.5048 -32.5048 -13.9776 -13.9440 -13.6508 -13.6288 -13.6214 -13.5576 -12.0264 -12.0262 -10.8668 -10.8583 -10.8467 -10.8460 -10.7036 -10.6859 0.1016 0.1016 2.2896 2.2932 2.4714 2.4727 2.4871 2.5009 2.5180 2.5223 2.8295 2.8393 3.6063 3.6161 3.8508 3.8512 3.8840 3.8938 5.0209 5.0311 5.1038 5.1051 5.3120 5.3209 11.8175 11.8218 12.3461 12.3475 12.4060 12.4077 12.5615 12.5617 k =-0.3532 0.3210 0.4773 ( 9838 PWs) bands (ev): -36.9796 -36.9796 -36.9789 -36.9789 -32.5048 -32.5048 -13.9773 -13.9427 -13.6519 -13.6273 -13.6204 -13.5526 -12.0238 -12.0236 -10.8727 -10.8669 -10.8514 -10.8499 -10.7001 -10.6824 0.1000 0.1000 2.2614 2.2654 2.4357 2.4372 2.4766 2.4904 2.5265 2.5311 2.8431 2.8524 3.6417 3.6510 3.8888 3.8895 3.9220 3.9314 5.0008 5.0111 5.0897 5.0912 5.2928 5.3019 11.8254 11.8298 12.3435 12.3442 12.4087 12.4104 12.5758 12.5762 k =-0.3452 0.3137 0.4664 ( 9828 PWs) bands (ev): -36.9797 -36.9797 -36.9788 -36.9788 -32.5049 -32.5049 -13.9768 -13.9413 -13.6527 -13.6257 -13.6191 -13.5476 -12.0219 -12.0217 -10.8793 -10.8753 -10.8558 -10.8530 -10.6966 -10.6790 0.0983 0.0983 2.2335 2.2378 2.4000 2.4014 2.4617 2.4740 2.5411 2.5448 2.8600 2.8686 3.6768 3.6856 3.9249 3.9258 3.9600 3.9689 4.9805 4.9909 5.0752 5.0769 5.2729 5.2823 11.8286 11.8329 12.3440 12.3441 12.4116 12.4134 12.5921 12.5930 k =-0.3372 0.3064 0.4556 ( 9834 PWs) bands (ev): -36.9798 -36.9798 -36.9787 -36.9787 -32.5049 -32.5049 -13.9762 -13.9399 -13.6534 -13.6241 -13.6175 -13.5425 -12.0209 -12.0206 -10.8862 -10.8834 -10.8593 -10.8558 -10.6932 -10.6757 0.0966 0.0966 2.2058 2.2105 2.3643 2.3656 2.4436 2.4546 2.5590 2.5621 2.8798 2.8877 3.7115 3.7199 3.9586 3.9600 3.9979 4.0063 4.9601 4.9705 5.0604 5.0623 5.2526 5.2621 11.8269 11.8311 12.3470 12.3479 12.4148 12.4166 12.6106 12.6121 k =-0.3291 0.2991 0.4447 ( 9822 PWs) bands (ev): -36.9799 -36.9799 -36.9786 -36.9786 -32.5050 -32.5050 -13.9755 -13.9384 -13.6537 -13.6224 -13.6155 -13.5375 -12.0207 -12.0204 -10.8930 -10.8910 -10.8621 -10.8584 -10.6899 -10.6724 0.0949 0.0949 2.1784 2.1835 2.3288 2.3299 2.4230 2.4330 2.5797 2.5825 2.9024 2.9095 3.7459 3.7537 3.9899 3.9917 4.0356 4.0436 4.9397 4.9502 5.0453 5.0474 5.2317 5.2415 11.8205 11.8244 12.3528 12.3546 12.4182 12.4200 12.6314 12.6333 k =-0.3211 0.2918 0.4339 ( 9822 PWs) bands (ev): -36.9800 -36.9800 -36.9785 -36.9785 -32.5050 -32.5050 -13.9746 -13.9369 -13.6539 -13.6206 -13.6133 -13.5324 -12.0216 -12.0213 -10.8995 -10.8980 -10.8644 -10.8607 -10.6866 -10.6693 0.0933 0.0934 2.1512 2.1566 2.2935 2.2945 2.4004 2.4096 2.6029 2.6054 2.9273 2.9338 3.7798 3.7870 4.0186 4.0207 4.0733 4.0807 4.9194 4.9299 5.0300 5.0323 5.2105 5.2204 11.8100 11.8137 12.3608 12.3634 12.4220 12.4238 12.6545 12.6567 k =-0.3131 0.2845 0.4230 ( 9826 PWs) bands (ev): -36.9801 -36.9801 -36.9784 -36.9784 -32.5050 -32.5050 -13.9735 -13.9353 -13.6537 -13.6188 -13.6108 -13.5273 -12.0236 -12.0233 -10.9056 -10.9045 -10.8663 -10.8629 -10.6834 -10.6664 0.0919 0.0920 2.1243 2.1299 2.2584 2.2594 2.3761 2.3846 2.6282 2.6307 2.9546 2.9605 3.8131 3.8197 4.0444 4.0469 4.1107 4.1175 4.8993 4.9097 5.0145 5.0171 5.1889 5.1990 11.7961 11.7995 12.3700 12.3733 12.4261 12.4279 12.6798 12.6820 k =-0.3050 0.2772 0.4122 ( 9824 PWs) bands (ev): -36.9803 -36.9803 -36.9782 -36.9782 -32.5051 -32.5051 -13.9723 -13.9337 -13.6533 -13.6169 -13.6080 -13.5223 -12.0267 -12.0264 -10.9110 -10.9102 -10.8679 -10.8647 -10.6803 -10.6635 0.0909 0.0910 2.0975 2.1034 2.2237 2.2247 2.3504 2.3582 2.6556 2.6580 2.9841 2.9894 3.8459 3.8518 4.0673 4.0702 4.1479 4.1541 4.8795 4.8898 4.9989 5.0017 5.1671 5.1773 11.7796 11.7828 12.3798 12.3837 12.4306 12.4324 12.7069 12.7091 k =-0.2970 0.2699 0.4013 ( 9823 PWs) bands (ev): -36.9804 -36.9804 -36.9781 -36.9781 -32.5051 -32.5051 -13.9708 -13.9319 -13.6525 -13.6148 -13.6049 -13.5174 -12.0311 -12.0307 -10.9158 -10.9151 -10.8691 -10.8663 -10.6773 -10.6608 0.0902 0.0903 2.0708 2.0769 2.1895 2.1904 2.3235 2.3308 2.6846 2.6870 3.0158 3.0204 3.8780 3.8833 4.0871 4.0903 4.1849 4.1903 4.8600 4.8703 4.9832 4.9862 5.1450 5.1555 11.7615 11.7643 12.3892 12.3935 12.4355 12.4373 12.7353 12.7375 k =-0.2890 0.2626 0.3905 ( 9821 PWs) bands (ev): -36.9805 -36.9805 -36.9780 -36.9780 -32.5052 -32.5052 -13.9692 -13.9300 -13.6515 -13.6127 -13.6017 -13.5125 -12.0367 -12.0363 -10.9197 -10.9192 -10.8700 -10.8677 -10.6744 -10.6582 0.0900 0.0901 2.0443 2.0505 2.1558 2.1568 2.2956 2.3024 2.7150 2.7174 3.0494 3.0535 3.9093 3.9140 4.1037 4.1074 4.2215 4.2262 4.8410 4.8511 4.9674 4.9707 5.1229 5.1335 11.7423 11.7449 12.3976 12.4022 12.4408 12.4426 12.7646 12.7664 k =-0.2810 0.2553 0.3796 ( 9821 PWs) bands (ev): -36.9806 -36.9806 -36.9779 -36.9779 -32.5052 -32.5052 -13.9675 -13.9280 -13.6501 -13.6104 -13.5983 -13.5077 -12.0437 -12.0433 -10.9229 -10.9225 -10.8706 -10.8688 -10.6716 -10.6557 0.0904 0.0905 2.0178 2.0240 2.1226 2.1238 2.2668 2.2732 2.7464 2.7490 3.0852 3.0887 3.9400 3.9440 4.1173 4.1212 4.2577 4.2616 4.8224 4.8324 4.9515 4.9551 5.1008 5.1115 11.7228 11.7252 12.4044 12.4091 12.4466 12.4483 12.7938 12.7950 k =-0.2729 0.2480 0.3688 ( 9833 PWs) bands (ev): -36.9808 -36.9808 -36.9778 -36.9778 -32.5053 -32.5053 -13.9655 -13.9259 -13.6485 -13.6081 -13.5946 -13.5030 -12.0519 -12.0515 -10.9252 -10.9248 -10.8709 -10.8696 -10.6689 -10.6533 0.0914 0.0915 1.9912 1.9973 2.0902 2.0916 2.2373 2.2433 2.7787 2.7813 3.1228 3.1260 3.9698 3.9733 4.1278 4.1320 4.2934 4.2965 4.8045 4.8142 4.9355 4.9394 5.0787 5.0896 11.7034 11.7057 12.4089 12.4138 12.4529 12.4546 12.8219 12.8225 k =-0.2649 0.2407 0.3579 ( 9837 PWs) bands (ev): -36.9809 -36.9809 -36.9777 -36.9777 -32.5053 -32.5053 -13.9633 -13.9236 -13.6465 -13.6056 -13.5909 -13.4984 -12.0614 -12.0610 -10.9266 -10.9263 -10.8709 -10.8701 -10.6663 -10.6511 0.0931 0.0933 1.9646 1.9705 2.0586 2.0603 2.2071 2.2128 2.8114 2.8141 3.1624 3.1651 3.9988 4.0017 4.1352 4.1398 4.3286 4.3308 4.7871 4.7967 4.9195 4.9236 5.0566 5.0677 11.6847 11.6868 12.4107 12.4155 12.4599 12.4615 12.8477 12.8480 k =-0.2569 0.2334 0.3471 ( 9833 PWs) bands (ev): -36.9810 -36.9810 -36.9775 -36.9775 -32.5054 -32.5054 -13.9610 -13.9212 -13.6442 -13.6030 -13.5869 -13.4939 -12.0722 -12.0718 -10.9271 -10.9269 -10.8707 -10.8703 -10.6639 -10.6490 0.0957 0.0958 1.9378 1.9434 2.0279 2.0301 2.1765 2.1818 2.8444 2.8471 3.2039 3.2062 4.0270 4.0293 4.1399 4.1448 4.3632 4.3645 4.7705 4.7798 4.9033 4.9076 5.0348 5.0461 11.6668 11.6688 12.4091 12.4136 12.4675 12.4691 12.8696 12.8709 k =-0.2489 0.2261 0.3363 ( 9831 PWs) bands (ev): -36.9812 -36.9812 -36.9774 -36.9774 -32.5054 -32.5054 -13.9584 -13.9186 -13.6416 -13.6003 -13.5829 -13.4896 -12.0842 -12.0838 -10.9268 -10.9266 -10.8702 -10.8701 -10.6615 -10.6471 0.0991 0.0993 1.9109 1.9160 1.9983 2.0009 2.1454 2.1504 2.8773 2.8801 3.2470 3.2489 4.0542 4.0559 4.1419 4.1471 4.3970 4.3974 4.7547 4.7637 4.8870 4.8915 5.0133 5.0247 11.6502 11.6521 12.4032 12.4075 12.4759 12.4774 12.8873 12.8896 k =-0.2408 0.2188 0.3254 ( 9833 PWs) bands (ev): -36.9813 -36.9813 -36.9773 -36.9773 -32.5054 -32.5054 -13.9557 -13.9159 -13.6387 -13.5974 -13.5787 -13.4854 -12.0975 -12.0970 -10.9256 -10.9256 -10.8699 -10.8693 -10.6593 -10.6453 0.1035 0.1037 1.8837 1.8884 1.9697 1.9729 2.1139 2.1187 2.9100 2.9129 3.2916 3.2932 4.0805 4.0817 4.1416 4.1470 4.4296 4.4301 4.7397 4.7483 4.8705 4.8752 4.9920 5.0037 11.6350 11.6368 12.3923 12.3962 12.4850 12.4865 12.9001 12.9035 k =-0.2328 0.2115 0.3146 ( 9837 PWs) bands (ev): -36.9814 -36.9814 -36.9772 -36.9772 -32.5055 -32.5055 -13.9527 -13.9130 -13.6355 -13.5945 -13.5743 -13.4814 -12.1118 -12.1113 -10.9237 -10.9237 -10.8693 -10.8682 -10.6572 -10.6436 0.1089 0.1090 1.8563 1.8604 1.9422 1.9460 2.0822 2.0867 2.9423 2.9452 3.3375 3.3388 4.1057 4.1063 4.1395 4.1451 4.4608 4.4624 4.7255 4.7337 4.8538 4.8586 4.9712 4.9832 11.6214 11.6230 12.3755 12.3790 12.4950 12.4964 12.9079 12.9123 k =-0.2248 0.2043 0.3037 ( 9845 PWs) bands (ev): -36.9816 -36.9816 -36.9771 -36.9771 -32.5055 -32.5055 -13.9496 -13.9100 -13.6320 -13.5915 -13.5699 -13.4776 -12.1271 -12.1267 -10.9211 -10.9211 -10.8684 -10.8668 -10.6552 -10.6421 0.1153 0.1155 1.8288 1.8323 1.9159 1.9203 2.0502 2.0545 2.9741 2.9770 3.3842 3.3853 4.1277 4.1283 4.1378 4.1432 4.4911 4.4937 4.7123 4.7199 4.8368 4.8418 4.9510 4.9632 11.6093 11.6109 12.3519 12.3551 12.5059 12.5073 12.9115 12.9168 k =-0.2167 0.1970 0.2929 ( 9849 PWs) bands (ev): -36.9817 -36.9817 -36.9770 -36.9770 -32.5056 -32.5056 -13.9463 -13.9069 -13.6281 -13.5884 -13.5654 -13.4739 -12.1434 -12.1430 -10.9179 -10.9178 -10.8672 -10.8653 -10.6533 -10.6408 0.1228 0.1230 1.8011 1.8041 1.8906 1.8956 2.0181 2.0221 3.0051 3.0080 3.4314 3.4323 4.1287 4.1333 4.1550 4.1562 4.5201 4.5239 4.7000 4.7071 4.8196 4.8246 4.9313 4.9438 11.5988 11.6003 12.3210 12.3238 12.5178 12.5191 12.9122 12.9181 k =-0.2087 0.1897 0.2820 ( 9841 PWs) bands (ev): -36.9819 -36.9819 -36.9768 -36.9768 -32.5056 -32.5056 -13.9429 -13.9036 -13.6240 -13.5852 -13.5608 -13.4704 -12.1606 -12.1602 -10.9141 -10.9139 -10.8657 -10.8634 -10.6516 -10.6396 0.1314 0.1316 1.7736 1.7760 1.8664 1.8719 1.9858 1.9896 3.0354 3.0382 3.4784 3.4792 4.1233 4.1285 4.1770 4.1774 4.5479 4.5529 4.6888 4.6951 4.8021 4.8071 4.9125 4.9253 11.5899 11.5913 12.2826 12.2851 12.5306 12.5318 12.9117 12.9180 k =-0.2007 0.1824 0.2712 ( 9843 PWs) bands (ev): -36.9820 -36.9820 -36.9767 -36.9767 -32.5057 -32.5057 -13.9392 -13.9002 -13.6196 -13.5819 -13.5561 -13.4672 -12.1785 -12.1781 -10.9097 -10.9095 -10.8640 -10.8614 -10.6501 -10.6385 0.1411 0.1413 1.7461 1.7481 1.8432 1.8491 1.9535 1.9571 3.0648 3.0676 3.5245 3.5253 4.1179 4.1231 4.1982 4.1983 4.5742 4.5806 4.6787 4.6840 4.7843 4.7893 4.8946 4.9078 11.5824 11.5838 12.2370 12.2392 12.5445 12.5457 12.9115 12.9180 k =-0.1927 0.1751 0.2603 ( 9849 PWs) bands (ev): -36.9821 -36.9821 -36.9766 -36.9766 -32.5057 -32.5057 -13.9355 -13.8968 -13.6150 -13.5786 -13.5513 -13.4642 -12.1970 -12.1966 -10.9049 -10.9046 -10.8620 -10.8591 -10.6486 -10.6376 0.1519 0.1521 1.7190 1.7206 1.8209 1.8272 1.9212 1.9246 3.0932 3.0960 3.5688 3.5696 4.1137 4.1187 4.2183 4.2184 4.5985 4.6067 4.6699 4.6738 4.7663 4.7713 4.8779 4.8915 11.5763 11.5776 12.1850 12.1869 12.5594 12.5605 12.9126 12.9193 k =-0.1846 0.1678 0.2495 ( 9855 PWs) bands (ev): -36.9822 -36.9822 -36.9765 -36.9765 -32.5057 -32.5057 -13.9316 -13.8932 -13.6101 -13.5752 -13.5465 -13.4613 -12.2161 -12.2157 -10.8997 -10.8993 -10.8598 -10.8566 -10.6473 -10.6368 0.1639 0.1641 1.6923 1.6935 1.7996 1.8060 1.8890 1.8922 3.1207 3.1234 3.6099 3.6108 4.1118 4.1166 4.2374 4.2374 4.6200 4.6309 4.6629 4.6644 4.7482 4.7530 4.8628 4.8769 11.5712 11.5725 12.1276 12.1293 12.5754 12.5765 12.9157 12.9223 k =-0.1766 0.1605 0.2386 ( 9859 PWs) bands (ev): -36.9824 -36.9824 -36.9764 -36.9764 -32.5058 -32.5058 -13.9275 -13.8896 -13.6049 -13.5716 -13.5416 -13.4587 -12.2356 -12.2352 -10.8943 -10.8938 -10.8574 -10.8540 -10.6462 -10.6362 0.1770 0.1772 1.6660 1.6669 1.7790 1.7857 1.8568 1.8598 3.1471 3.1497 3.6466 3.6477 4.1137 4.1181 4.2553 4.2554 4.6357 4.6527 4.6559 4.6603 4.7299 4.7346 4.8497 4.8642 11.5669 11.5681 12.0661 12.0676 12.5924 12.5936 12.9210 12.9276 k =-0.1686 0.1532 0.2278 ( 9845 PWs) bands (ev): -36.9825 -36.9825 -36.9763 -36.9763 -32.5058 -32.5058 -13.9234 -13.8860 -13.5995 -13.5680 -13.5367 -13.4564 -12.2554 -12.2551 -10.8886 -10.8880 -10.8548 -10.8512 -10.6451 -10.6357 0.1911 0.1914 1.6404 1.6410 1.7593 1.7661 1.8247 1.8276 3.1724 3.1749 3.6772 3.6786 4.1209 4.1248 4.2721 4.2724 4.6391 4.6479 4.6679 4.6716 4.7118 4.7162 4.8394 4.8543 11.5631 11.5642 12.0019 12.0034 12.6106 12.6118 12.9285 12.9350 k =-0.1605 0.1459 0.2169 ( 9841 PWs) bands (ev): -36.9826 -36.9826 -36.9762 -36.9762 -32.5059 -32.5059 -13.9192 -13.8824 -13.5939 -13.5644 -13.5317 -13.4542 -12.2754 -12.2751 -10.8828 -10.8820 -10.8519 -10.8482 -10.6442 -10.6354 0.2064 0.2066 1.6154 1.6159 1.7403 1.7472 1.7928 1.7955 3.1965 3.1990 3.7005 3.7022 4.1347 4.1381 4.2876 4.2883 4.6357 4.6406 4.6797 4.6854 4.6950 4.6978 4.8328 4.8477 11.5589 11.5599 11.9366 11.9380 12.6299 12.6310 12.9381 12.9445 k =-0.1525 0.1386 0.2061 ( 9845 PWs) bands (ev): -36.9827 -36.9827 -36.9761 -36.9761 -32.5059 -32.5059 -13.9149 -13.8788 -13.5882 -13.5607 -13.5268 -13.4523 -12.2954 -12.2951 -10.8769 -10.8760 -10.8489 -10.8452 -10.6435 -10.6352 0.2226 0.2228 1.5912 1.5915 1.7222 1.7290 1.7611 1.7637 3.2195 3.2218 3.7157 3.7179 4.1557 4.1584 4.3021 4.3031 4.6310 4.6336 4.6745 4.6795 4.6891 4.6986 4.8308 4.8451 11.5535 11.5544 11.8720 11.8734 12.6503 12.6514 12.9496 12.9558 k =-0.1445 0.1313 0.1952 ( 9849 PWs) bands (ev): -36.9829 -36.9829 -36.9760 -36.9760 -32.5059 -32.5059 -13.9106 -13.8753 -13.5823 -13.5569 -13.5219 -13.4506 -12.3155 -12.3152 -10.8710 -10.8699 -10.8457 -10.8420 -10.6429 -10.6351 0.2397 0.2400 1.5679 1.5680 1.7048 1.7116 1.7298 1.7322 3.2411 3.2434 3.7233 3.7258 4.1836 4.1857 4.3154 4.3170 4.6262 4.6268 4.6570 4.6615 4.6950 4.7043 4.8339 4.8468 11.5451 11.5457 11.8105 11.8120 12.6717 12.6729 12.9627 12.9688 k =-0.1365 0.1240 0.1844 ( 9851 PWs) bands (ev): -36.9830 -36.9830 -36.9759 -36.9759 -32.5060 -32.5060 -13.9062 -13.8718 -13.5763 -13.5530 -13.5169 -13.4492 -12.3353 -12.3351 -10.8651 -10.8638 -10.8424 -10.8387 -10.6424 -10.6352 0.2578 0.2580 1.5455 1.5455 1.6883 1.6948 1.6988 1.7010 3.2614 3.2636 3.7242 3.7269 4.2171 4.2187 4.3276 4.3298 4.6199 4.6211 4.6397 4.6438 4.6977 4.7063 4.8412 4.8523 11.5309 11.5312 11.7556 11.7572 12.6942 12.6954 12.9772 12.9831 k =-0.1284 0.1167 0.1735 ( 9855 PWs) bands (ev): -36.9831 -36.9831 -36.9758 -36.9758 -32.5060 -32.5060 -13.9019 -13.8685 -13.5701 -13.5492 -13.5120 -13.4480 -12.3549 -12.3547 -10.8594 -10.8579 -10.8389 -10.8354 -10.6420 -10.6353 0.2765 0.2767 1.5239 1.5240 1.6679 1.6698 1.6728 1.6791 3.2804 3.2825 3.7199 3.7228 4.2549 4.2560 4.3389 4.3418 4.6127 4.6157 4.6230 4.6268 4.6982 4.7060 4.8516 4.8608 11.5068 11.5069 11.7118 11.7135 12.7177 12.7189 12.9929 12.9986 k =-0.1204 0.1094 0.1627 ( 9861 PWs) bands (ev): -36.9832 -36.9832 -36.9757 -36.9757 -32.5060 -32.5060 -13.8976 -13.8653 -13.5640 -13.5453 -13.5072 -13.4470 -12.3741 -12.3739 -10.8538 -10.8521 -10.8353 -10.8321 -10.6418 -10.6356 0.2959 0.2962 1.5034 1.5036 1.6377 1.6397 1.6577 1.6640 3.2978 3.2998 3.7120 3.7149 4.2954 4.2958 4.3492 4.3531 4.6042 4.6077 4.6095 4.6104 4.6978 4.7047 4.8637 4.8710 11.4703 11.4704 11.6820 11.6838 12.7420 12.7433 13.0095 13.0151 k =-0.1124 0.1021 0.1519 ( 9867 PWs) bands (ev): -36.9833 -36.9833 -36.9756 -36.9756 -32.5061 -32.5061 -13.8933 -13.8623 -13.5578 -13.5414 -13.5024 -13.4462 -12.3928 -12.3927 -10.8485 -10.8465 -10.8316 -10.8287 -10.6417 -10.6360 0.3159 0.3161 1.4840 1.4842 1.6081 1.6099 1.6436 1.6496 3.3138 3.3157 3.7015 3.7044 4.3363 4.3369 4.3590 4.3643 4.5909 4.5947 4.5974 4.6028 4.6973 4.7034 4.8765 4.8823 11.4234 11.4236 11.6648 11.6666 12.7673 12.7687 13.0269 13.0322 k =-0.1044 0.0948 0.1410 ( 9869 PWs) bands (ev): -36.9834 -36.9834 -36.9756 -36.9756 -32.5061 -32.5061 -13.8891 -13.8595 -13.5517 -13.5375 -13.4977 -13.4457 -12.4109 -12.4108 -10.8434 -10.8411 -10.8279 -10.8254 -10.6416 -10.6365 0.3362 0.3364 1.4657 1.4660 1.5791 1.5807 1.6304 1.6362 3.3281 3.3299 3.6897 3.6924 4.3664 4.3676 4.3801 4.3841 4.5768 4.5802 4.5883 4.5951 4.6972 4.7026 4.8892 4.8938 11.3707 11.3709 11.6560 11.6577 12.7933 12.7947 13.0447 13.0499 k =-0.0963 0.0875 0.1302 ( 9861 PWs) bands (ev): -36.9834 -36.9834 -36.9755 -36.9755 -32.5061 -32.5061 -13.8849 -13.8570 -13.5457 -13.5336 -13.4932 -13.4453 -12.4283 -12.4282 -10.8386 -10.8361 -10.8242 -10.8220 -10.6417 -10.6371 0.3567 0.3569 1.4486 1.4489 1.5508 1.5524 1.6181 1.6235 3.3408 3.3426 3.6772 3.6798 4.3752 4.3793 4.4203 4.4218 4.5641 4.5671 4.5789 4.5867 4.6980 4.7027 4.9016 4.9052 11.3159 11.3162 11.6522 11.6537 12.8200 12.8215 13.0628 13.0678 k =-0.0883 0.0802 0.1193 ( 9857 PWs) bands (ev): -36.9835 -36.9835 -36.9754 -36.9754 -32.5061 -32.5061 -13.8809 -13.8547 -13.5399 -13.5298 -13.4887 -13.4452 -12.4448 -12.4447 -10.8342 -10.8314 -10.8204 -10.8187 -10.6418 -10.6377 0.3772 0.3774 1.4327 1.4331 1.5235 1.5249 1.6067 1.6118 3.3518 3.3535 3.6648 3.6672 4.3830 4.3882 4.4583 4.4591 4.5540 4.5565 4.5691 4.5777 4.6994 4.7035 4.9133 4.9161 11.2617 11.2619 11.6510 11.6525 12.8472 12.8489 13.0810 13.0857 k =-0.0803 0.0729 0.1085 ( 9857 PWs) bands (ev): -36.9836 -36.9836 -36.9754 -36.9754 -32.5062 -32.5062 -13.8771 -13.8526 -13.5343 -13.5261 -13.4844 -13.4452 -12.4603 -12.4603 -10.8301 -10.8271 -10.8168 -10.8155 -10.6420 -10.6383 0.3976 0.3977 1.4181 1.4185 1.4972 1.4985 1.5962 1.6009 3.3611 3.3627 3.6529 3.6551 4.3903 4.3963 4.4896 4.4898 4.5500 4.5515 4.5590 4.5684 4.7015 4.7049 4.9243 4.9264 11.2094 11.2096 11.6515 11.6528 12.8750 12.8768 13.0989 13.1034 k =-0.0722 0.0657 0.0976 ( 9853 PWs) bands (ev): -36.9837 -36.9837 -36.9753 -36.9753 -32.5062 -32.5062 -13.8733 -13.8509 -13.5289 -13.5226 -13.4803 -13.4455 -12.4748 -12.4748 -10.8263 -10.8232 -10.8133 -10.8124 -10.6423 -10.6390 0.4174 0.4175 1.4048 1.4051 1.4722 1.4734 1.5867 1.5910 3.3687 3.3702 3.6420 3.6439 4.3974 4.4041 4.5036 4.5047 4.5488 4.5562 4.5616 4.5640 4.7041 4.7069 4.9343 4.9359 11.1602 11.1603 11.6528 11.6540 12.9031 12.9051 13.1165 13.1206 k =-0.0642 0.0584 0.0868 ( 9861 PWs) bands (ev): -36.9837 -36.9837 -36.9753 -36.9753 -32.5062 -32.5062 -13.8698 -13.8495 -13.5240 -13.5192 -13.4764 -13.4459 -12.4881 -12.4881 -10.8229 -10.8198 -10.8100 -10.8094 -10.6425 -10.6397 0.4365 0.4366 1.3928 1.3931 1.4487 1.4497 1.5781 1.5820 3.3747 3.3760 3.6323 3.6340 4.4044 4.4116 4.5022 4.5037 4.5386 4.5479 4.5869 4.5871 4.7069 4.7092 4.9433 4.9445 11.1146 11.1148 11.6545 11.6556 12.9314 12.9335 13.1332 13.1371 k =-0.0562 0.0511 0.0759 ( 9869 PWs) bands (ev): -36.9838 -36.9838 -36.9752 -36.9752 -32.5062 -32.5062 -13.8664 -13.8483 -13.5194 -13.5160 -13.4727 -13.4465 -12.5001 -12.5001 -10.8198 -10.8169 -10.8070 -10.8066 -10.6428 -10.6404 0.4545 0.4546 1.3822 1.3825 1.4269 1.4278 1.5706 1.5740 3.3791 3.3803 3.6240 3.6254 4.4113 4.4189 4.4963 4.4979 4.5284 4.5381 4.6143 4.6144 4.7100 4.7118 4.9514 4.9523 11.0733 11.0734 11.6565 11.6574 12.9598 12.9621 13.1490 13.1525 k =-0.0482 0.0438 0.0651 ( 9883 PWs) bands (ev): -36.9838 -36.9838 -36.9752 -36.9752 -32.5062 -32.5062 -13.8633 -13.8476 -13.5153 -13.5131 -13.4693 -13.4472 -12.5108 -12.5108 -10.8171 -10.8144 -10.8043 -10.8041 -10.6431 -10.6411 0.4712 0.4713 1.3729 1.3732 1.4071 1.4079 1.5640 1.5670 3.3822 3.3833 3.6171 3.6182 4.4181 4.4263 4.4900 4.4913 4.5185 4.5283 4.6399 4.6400 4.7131 4.7145 4.9584 4.9590 11.0367 11.0368 11.6584 11.6592 12.9881 12.9906 13.1636 13.1666 k =-0.0401 0.0365 0.0542 ( 9891 PWs) bands (ev): -36.9839 -36.9839 -36.9752 -36.9752 -32.5062 -32.5062 -13.8604 -13.8471 -13.5118 -13.5104 -13.4661 -13.4480 -12.5199 -12.5199 -10.8147 -10.8123 -10.8019 -10.8018 -10.6434 -10.6417 0.4861 0.4862 1.3650 1.3652 1.3896 1.3903 1.5585 1.5610 3.3841 3.3851 3.6115 3.6125 4.4251 4.4336 4.4842 4.4853 4.5087 4.5187 4.6621 4.6623 4.7164 4.7174 4.9643 4.9647 11.0051 11.0052 11.6602 11.6609 13.0161 13.0188 13.1765 13.1791 k =-0.0321 0.0292 0.0434 ( 9883 PWs) bands (ev): -36.9839 -36.9839 -36.9751 -36.9751 -32.5062 -32.5062 -13.8577 -13.8470 -13.5089 -13.5082 -13.4633 -13.4490 -12.5276 -12.5276 -10.8127 -10.8107 -10.8000 -10.7999 -10.6436 -10.6423 0.4990 0.4990 1.3586 1.3587 1.3748 1.3753 1.5540 1.5560 3.3853 3.3861 3.6073 3.6081 4.4322 4.4409 4.4793 4.4801 4.4993 4.5093 4.6801 4.6803 4.7199 4.7206 4.9691 4.9695 10.9789 10.9790 11.6617 11.6623 13.0436 13.0464 13.1876 13.1897 k =-0.0241 0.0219 0.0325 ( 9891 PWs) bands (ev): -36.9839 -36.9839 -36.9751 -36.9751 -32.5062 -32.5062 -13.8553 -13.8472 -13.5066 -13.5063 -13.4607 -13.4502 -12.5336 -12.5336 -10.8111 -10.8095 -10.7984 -10.7984 -10.6437 -10.6427 0.5094 0.5094 1.3535 1.3536 1.3628 1.3633 1.5505 1.5520 3.3858 3.3864 3.6043 3.6048 4.4394 4.4484 4.4754 4.4760 4.4902 4.5001 4.6933 4.6936 4.7238 4.7242 4.9729 4.9731 10.9583 10.9583 11.6630 11.6635 13.0701 13.0729 13.1966 13.1982 k =-0.0161 0.0146 0.0217 ( 9891 PWs) bands (ev): -36.9839 -36.9839 -36.9751 -36.9751 -32.5063 -32.5063 -13.8532 -13.8478 -13.5050 -13.5049 -13.4584 -13.4514 -12.5379 -12.5379 -10.8098 -10.8087 -10.7973 -10.7973 -10.6438 -10.6431 0.5171 0.5171 1.3499 1.3500 1.3541 1.3544 1.5481 1.5491 3.3860 3.3865 3.6022 3.6026 4.4468 4.4557 4.4727 4.4729 4.4816 4.4912 4.7017 4.7020 4.7279 4.7281 4.9757 4.9758 10.9434 10.9434 11.6640 11.6643 13.0947 13.0973 13.2032 13.2041 k =-0.0080 0.0073 0.0108 ( 9899 PWs) bands (ev): -36.9840 -36.9840 -36.9751 -36.9751 -32.5063 -32.5063 -13.8514 -13.8487 -13.5040 -13.5040 -13.4563 -13.4529 -12.5405 -12.5405 -10.8089 -10.8084 -10.7966 -10.7966 -10.6438 -10.6435 0.5218 0.5218 1.3477 1.3477 1.3489 1.3491 1.5468 1.5473 3.3861 3.3864 3.6011 3.6013 4.4543 4.4620 4.4709 4.4710 4.4748 4.4829 4.7061 4.7062 4.7311 4.7312 4.9773 4.9773 10.9344 10.9344 11.6646 11.6648 13.1148 13.1168 13.2067 13.2069 k = 0.0000 0.0000 0.0000 ( 9903 PWs) bands (ev): -36.9840 -36.9840 -36.9751 -36.9751 -32.5063 -32.5063 -13.8499 -13.8499 -13.5037 -13.5037 -13.4545 -13.4545 -12.5414 -12.5414 -10.8084 -10.8084 -10.7964 -10.7964 -10.6437 -10.6437 0.5234 0.5234 1.3467 1.3467 1.3474 1.3474 1.5465 1.5465 3.3862 3.3862 3.6008 3.6008 4.4611 4.4611 4.4702 4.4702 4.4758 4.4758 4.7074 4.7074 4.7324 4.7324 4.9778 4.9778 10.9314 10.9314 11.6649 11.6649 13.1243 13.1243 13.2056 13.2056 k = 0.0000 0.0000 0.0000 ( 9903 PWs) bands (ev): -36.9840 -36.9840 -36.9751 -36.9751 -32.5063 -32.5063 -13.8499 -13.8499 -13.5037 -13.5037 -13.4545 -13.4545 -12.5414 -12.5414 -10.8084 -10.8084 -10.7964 -10.7964 -10.6437 -10.6437 0.5234 0.5234 1.3467 1.3467 1.3474 1.3474 1.5465 1.5465 3.3862 3.3862 3.6008 3.6008 4.4611 4.4611 4.4702 4.4702 4.4758 4.4758 4.7074 4.7074 4.7324 4.7324 4.9778 4.9778 10.9314 10.9314 11.6649 11.6649 13.1243 13.1243 13.2056 13.2056 k = 0.0102 0.0112 0.0000 ( 9887 PWs) bands (ev): -36.9840 -36.9840 -36.9751 -36.9751 -32.5063 -32.5063 -13.8500 -13.8500 -13.5038 -13.5038 -13.4550 -13.4550 -12.5404 -12.5404 -10.8084 -10.8084 -10.7963 -10.7963 -10.6440 -10.6440 0.5219 0.5219 1.3478 1.3478 1.3485 1.3485 1.5485 1.5485 3.3844 3.3844 3.6004 3.6004 4.4619 4.4619 4.4693 4.4693 4.4760 4.4760 4.7080 4.7080 4.7329 4.7329 4.9753 4.9753 10.9345 10.9345 11.6658 11.6658 13.1233 13.1233 13.2050 13.2050 k = 0.0204 0.0225 0.0000 ( 9887 PWs) bands (ev): -36.9839 -36.9839 -36.9751 -36.9751 -32.5062 -32.5062 -13.8506 -13.8506 -13.5042 -13.5042 -13.4564 -13.4564 -12.5372 -12.5372 -10.8083 -10.8083 -10.7962 -10.7962 -10.6452 -10.6452 0.5174 0.5174 1.3510 1.3510 1.3517 1.3517 1.5546 1.5546 3.3789 3.3789 3.5992 3.5992 4.4624 4.4625 4.4666 4.4666 4.4784 4.4784 4.7098 4.7098 4.7344 4.7344 4.9675 4.9675 10.9435 10.9435 11.6685 11.6685 13.1202 13.1202 13.2035 13.2035 k = 0.0306 0.0337 0.0000 ( 9879 PWs) bands (ev): -36.9839 -36.9839 -36.9751 -36.9751 -32.5062 -32.5062 -13.8515 -13.8515 -13.5049 -13.5049 -13.4588 -13.4588 -12.5321 -12.5321 -10.8081 -10.8081 -10.7959 -10.7959 -10.6471 -10.6471 0.5101 0.5101 1.3564 1.3564 1.3571 1.3571 1.5645 1.5645 3.3699 3.3699 3.5971 3.5971 4.4597 4.4597 4.4623 4.4623 4.4859 4.4859 4.7126 4.7126 4.7368 4.7368 4.9546 4.9546 10.9585 10.9585 11.6729 11.6729 13.1152 13.1152 13.2008 13.2008 k = 0.0408 0.0449 0.0000 ( 9863 PWs) bands (ev): -36.9839 -36.9839 -36.9751 -36.9751 -32.5062 -32.5062 -13.8527 -13.8527 -13.5057 -13.5057 -13.4620 -13.4620 -12.5250 -12.5250 -10.8078 -10.8078 -10.7955 -10.7955 -10.6497 -10.6497 0.5002 0.5002 1.3639 1.3639 1.3646 1.3646 1.5781 1.5781 3.3576 3.3576 3.5943 3.5943 4.4538 4.4538 4.4563 4.4563 4.4982 4.4982 4.7165 4.7165 4.7401 4.7401 4.9368 4.9369 10.9793 10.9793 11.6792 11.6792 13.1081 13.1081 13.1972 13.1972 k = 0.0510 0.0561 0.0000 ( 9871 PWs) bands (ev): -36.9839 -36.9839 -36.9752 -36.9752 -32.5062 -32.5062 -13.8543 -13.8543 -13.5069 -13.5069 -13.4661 -13.4661 -12.5160 -12.5160 -10.8074 -10.8074 -10.7950 -10.7950 -10.6531 -10.6531 0.4879 0.4879 1.3736 1.3736 1.3743 1.3743 1.5951 1.5951 3.3422 3.3422 3.5905 3.5905 4.4456 4.4457 4.4487 4.4487 4.5143 4.5143 4.7213 4.7213 4.7442 4.7442 4.9143 4.9143 11.0056 11.0056 11.6872 11.6872 13.0991 13.0991 13.1925 13.1925 k = 0.0612 0.0674 0.0000 ( 9863 PWs) bands (ev): -36.9838 -36.9838 -36.9752 -36.9752 -32.5062 -32.5062 -13.8562 -13.8562 -13.5082 -13.5082 -13.4708 -13.4708 -12.5053 -12.5053 -10.8070 -10.8070 -10.7945 -10.7945 -10.6572 -10.6572 0.4736 0.4736 1.3853 1.3853 1.3860 1.3860 1.6151 1.6151 3.3242 3.3242 3.5859 3.5859 4.4357 4.4357 4.4395 4.4395 4.5335 4.5335 4.7269 4.7269 4.7492 4.7492 4.8873 4.8873 11.0371 11.0371 11.6969 11.6969 13.0883 13.0883 13.1868 13.1868 k = 0.0714 0.0786 0.0000 ( 9887 PWs) bands (ev): -36.9838 -36.9838 -36.9753 -36.9753 -32.5062 -32.5062 -13.8584 -13.8584 -13.5098 -13.5098 -13.4762 -13.4762 -12.4929 -12.4929 -10.8065 -10.8065 -10.7938 -10.7938 -10.6619 -10.6619 0.4576 0.4576 1.3991 1.3991 1.3998 1.3998 1.6379 1.6379 3.3038 3.3038 3.5803 3.5803 4.4242 4.4242 4.4288 4.4288 4.5555 4.5555 4.7331 4.7331 4.7549 4.7549 4.8562 4.8562 11.0735 11.0735 11.7083 11.7083 13.0756 13.0756 13.1801 13.1801 k = 0.0816 0.0898 0.0000 ( 9883 PWs) bands (ev): -36.9837 -36.9837 -36.9753 -36.9753 -32.5061 -32.5061 -13.8609 -13.8609 -13.5117 -13.5117 -13.4821 -13.4821 -12.4791 -12.4791 -10.8059 -10.8059 -10.7930 -10.7930 -10.6672 -10.6672 0.4403 0.4403 1.4149 1.4149 1.4156 1.4156 1.6631 1.6631 3.2813 3.2813 3.5736 3.5736 4.4111 4.4111 4.4166 4.4166 4.5797 4.5797 4.7396 4.7396 4.7613 4.7613 4.8215 4.8215 11.1144 11.1144 11.7213 11.7213 13.0614 13.0614 13.1724 13.1724 k = 0.0918 0.1011 0.0000 ( 9883 PWs) bands (ev): -36.9836 -36.9836 -36.9754 -36.9754 -32.5061 -32.5061 -13.8637 -13.8637 -13.5137 -13.5137 -13.4885 -13.4885 -12.4640 -12.4640 -10.8052 -10.8052 -10.7921 -10.7921 -10.6731 -10.6731 0.4219 0.4219 1.4327 1.4327 1.4335 1.4335 1.6904 1.6904 3.2571 3.2571 3.5659 3.5659 4.3967 4.3967 4.4031 4.4031 4.6060 4.6060 4.7445 4.7445 4.7684 4.7684 4.7853 4.7853 11.1593 11.1593 11.7359 11.7359 13.0457 13.0457 13.1636 13.1637 k = 0.1020 0.1123 0.0000 ( 9876 PWs) bands (ev): -36.9836 -36.9836 -36.9754 -36.9754 -32.5061 -32.5061 -13.8668 -13.8668 -13.5160 -13.5160 -13.4952 -13.4952 -12.4478 -12.4478 -10.8045 -10.8045 -10.7911 -10.7911 -10.6796 -10.6796 0.4028 0.4028 1.4524 1.4524 1.4533 1.4533 1.7195 1.7195 3.2315 3.2315 3.5571 3.5571 4.3810 4.3810 4.3882 4.3882 4.6339 4.6339 4.7304 4.7305 4.7653 4.7653 4.7761 4.7761 11.2077 11.2077 11.7521 11.7521 13.0289 13.0289 13.1540 13.1540 k = 0.1122 0.1235 0.0000 ( 9868 PWs) bands (ev): -36.9835 -36.9835 -36.9755 -36.9755 -32.5060 -32.5060 -13.8700 -13.8700 -13.5184 -13.5184 -13.5021 -13.5021 -12.4306 -12.4306 -10.8037 -10.8037 -10.7901 -10.7901 -10.6865 -10.6865 0.3832 0.3832 1.4741 1.4741 1.4750 1.4750 1.7501 1.7501 3.2047 3.2047 3.5472 3.5472 4.3640 4.3640 4.3721 4.3721 4.6632 4.6632 4.6893 4.6894 4.7700 4.7700 4.7844 4.7844 11.2591 11.2591 11.7698 11.7698 13.0111 13.0111 13.1433 13.1433 k = 0.1224 0.1347 0.0000 ( 9864 PWs) bands (ev): -36.9834 -36.9834 -36.9756 -36.9756 -32.5060 -32.5060 -13.8735 -13.8735 -13.5211 -13.5211 -13.5092 -13.5092 -12.4126 -12.4126 -10.8029 -10.8029 -10.7889 -10.7889 -10.6939 -10.6939 0.3634 0.3634 1.4976 1.4976 1.4986 1.4986 1.7820 1.7820 3.1770 3.1770 3.5360 3.5360 4.3458 4.3458 4.3547 4.3547 4.6422 4.6422 4.6936 4.6936 4.7786 4.7786 4.7933 4.7933 11.3129 11.3129 11.7889 11.7889 12.9928 12.9928 13.1317 13.1317 k = 0.1327 0.1460 0.0000 ( 9852 PWs) bands (ev): -36.9833 -36.9833 -36.9756 -36.9756 -32.5060 -32.5060 -13.8772 -13.8772 -13.5239 -13.5239 -13.5164 -13.5164 -12.3940 -12.3940 -10.8019 -10.8019 -10.7877 -10.7877 -10.7016 -10.7016 0.3436 0.3436 1.5229 1.5229 1.5240 1.5240 1.8148 1.8148 3.1486 3.1486 3.5234 3.5235 4.3264 4.3264 4.3361 4.3361 4.5922 4.5922 4.7248 4.7248 4.7884 4.7884 4.8028 4.8028 11.3684 11.3684 11.8093 11.8093 12.9743 12.9743 13.1192 13.1195 k = 0.1429 0.1572 0.0000 ( 9864 PWs) bands (ev): -36.9832 -36.9832 -36.9757 -36.9757 -32.5059 -32.5059 -13.8810 -13.8810 -13.5269 -13.5269 -13.5236 -13.5236 -12.3748 -12.3748 -10.8010 -10.8010 -10.7863 -10.7863 -10.7096 -10.7096 0.3240 0.3240 1.5499 1.5499 1.5512 1.5512 1.8485 1.8485 3.1197 3.1197 3.5096 3.5096 4.3059 4.3059 4.3164 4.3164 4.5402 4.5402 4.7565 4.7565 4.7990 4.7990 4.8129 4.8129 11.4249 11.4249 11.8310 11.8310 12.9561 12.9561 13.1057 13.1057 k = 0.1531 0.1684 0.0000 ( 9852 PWs) bands (ev): -36.9831 -36.9831 -36.9758 -36.9758 -32.5059 -32.5059 -13.8849 -13.8849 -13.5307 -13.5307 -13.5301 -13.5301 -12.3554 -12.3554 -10.7999 -10.7999 -10.7849 -10.7849 -10.7178 -10.7178 0.3047 0.3047 1.5786 1.5786 1.5800 1.5800 1.8828 1.8828 3.0904 3.0904 3.4944 3.4944 4.2843 4.2843 4.2955 4.2955 4.4865 4.4865 4.7883 4.7883 4.8105 4.8105 4.8235 4.8235 11.4816 11.4816 11.8539 11.8539 12.9388 12.9388 13.0913 13.0913 k = 0.1633 0.1797 0.0000 ( 9820 PWs) bands (ev): -36.9830 -36.9830 -36.9759 -36.9759 -32.5058 -32.5058 -13.8890 -13.8890 -13.5377 -13.5377 -13.5334 -13.5334 -12.3359 -12.3359 -10.7988 -10.7988 -10.7835 -10.7835 -10.7261 -10.7261 0.2860 0.2860 1.6088 1.6088 1.6104 1.6104 1.9175 1.9175 3.0611 3.0611 3.4777 3.4777 4.2616 4.2616 4.2735 4.2735 4.4317 4.4317 4.8165 4.8165 4.8265 4.8265 4.8347 4.8347 11.5377 11.5377 11.8779 11.8779 12.9231 12.9231 13.0759 13.0759 k = 0.1735 0.1909 0.0000 ( 9820 PWs) bands (ev): -36.9828 -36.9828 -36.9760 -36.9760 -32.5058 -32.5058 -13.8930 -13.8930 -13.5446 -13.5446 -13.5368 -13.5368 -12.3163 -12.3163 -10.7977 -10.7977 -10.7819 -10.7819 -10.7345 -10.7345 0.2679 0.2679 1.6407 1.6407 1.6424 1.6424 1.9526 1.9526 3.0317 3.0317 3.4596 3.4596 4.2378 4.2379 4.2505 4.2505 4.3760 4.3760 4.8318 4.8318 4.8461 4.8461 4.8563 4.8563 11.5922 11.5922 11.9030 11.9030 12.9095 12.9095 13.0596 13.0597 k = 0.1837 0.2021 0.0000 ( 9836 PWs) bands (ev): -36.9827 -36.9827 -36.9761 -36.9761 -32.5057 -32.5057 -13.8972 -13.8972 -13.5512 -13.5512 -13.5403 -13.5403 -12.2969 -12.2969 -10.7965 -10.7965 -10.7803 -10.7803 -10.7429 -10.7429 0.2506 0.2506 1.6739 1.6739 1.6758 1.6758 1.9877 1.9877 3.0024 3.0024 3.4399 3.4399 4.2130 4.2130 4.2264 4.2264 4.3199 4.3199 4.8447 4.8447 4.8583 4.8583 4.8886 4.8886 11.6442 11.6442 11.9289 11.9289 12.8990 12.8990 13.0424 13.0424 k = 0.1939 0.2134 0.0000 ( 9852 PWs) bands (ev): -36.9826 -36.9826 -36.9762 -36.9762 -32.5057 -32.5057 -13.9013 -13.9013 -13.5577 -13.5577 -13.5440 -13.5440 -12.2778 -12.2778 -10.7953 -10.7953 -10.7787 -10.7787 -10.7511 -10.7511 0.2340 0.2340 1.7086 1.7086 1.7107 1.7107 2.0229 2.0229 2.9733 2.9733 3.4188 3.4188 4.1869 4.1869 4.2013 4.2013 4.2638 4.2638 4.8579 4.8579 4.8710 4.8710 4.9211 4.9211 11.6926 11.6926 11.9557 11.9557 12.8923 12.8923 13.0243 13.0243 k = 0.2041 0.2246 0.0000 ( 9860 PWs) bands (ev): -36.9825 -36.9825 -36.9763 -36.9763 -32.5056 -32.5056 -13.9054 -13.9054 -13.5638 -13.5638 -13.5477 -13.5477 -12.2591 -12.2591 -10.7941 -10.7941 -10.7770 -10.7770 -10.7592 -10.7592 0.2184 0.2184 1.7446 1.7446 1.7468 1.7468 2.0580 2.0580 2.9446 2.9446 3.3963 3.3963 4.1593 4.1593 4.1752 4.1752 4.2084 4.2084 4.8714 4.8714 4.8842 4.8842 4.9535 4.9535 11.7364 11.7364 11.9831 11.9831 12.8903 12.8903 13.0053 13.0053 k = 0.2143 0.2358 0.0000 ( 9852 PWs) bands (ev): -36.9824 -36.9824 -36.9764 -36.9764 -32.5056 -32.5056 -13.9095 -13.9095 -13.5697 -13.5697 -13.5515 -13.5515 -12.2409 -12.2409 -10.7928 -10.7928 -10.7753 -10.7753 -10.7669 -10.7669 0.2038 0.2038 1.7818 1.7818 1.7842 1.7842 2.0929 2.0929 2.9163 2.9163 3.3722 3.3722 4.1284 4.1284 4.1481 4.1481 4.1558 4.1559 4.8853 4.8853 4.8978 4.8978 4.9855 4.9855 11.7746 11.7746 12.0112 12.0112 12.8937 12.8937 12.9853 12.9853 k = 0.2245 0.2470 0.0000 ( 9860 PWs) bands (ev): -36.9822 -36.9822 -36.9765 -36.9765 -32.5055 -32.5055 -13.9135 -13.9135 -13.5753 -13.5753 -13.5553 -13.5553 -12.2235 -12.2235 -10.7915 -10.7915 -10.7750 -10.7749 -10.7730 -10.7729 0.1901 0.1901 1.8201 1.8201 1.8227 1.8227 2.1274 2.1274 2.8884 2.8884 3.3468 3.3468 4.0870 4.0871 4.1135 4.1135 4.1202 4.1202 4.8997 4.8997 4.9119 4.9119 5.0171 5.0171 11.8065 11.8065 12.0397 12.0397 12.9030 12.9031 12.9645 12.9646 k = 0.2347 0.2583 0.0000 ( 9852 PWs) bands (ev): -36.9821 -36.9821 -36.9767 -36.9767 -32.5054 -32.5054 -13.9174 -13.9174 -13.5805 -13.5805 -13.5592 -13.5592 -12.2068 -12.2068 -10.7904 -10.7904 -10.7814 -10.7814 -10.7716 -10.7716 0.1775 0.1775 1.8595 1.8595 1.8622 1.8622 2.1615 2.1615 2.8611 2.8611 3.3200 3.3200 4.0361 4.0361 4.0808 4.0808 4.0913 4.0913 4.9144 4.9144 4.9264 4.9264 5.0482 5.0482 11.8315 11.8315 12.0686 12.0686 12.9182 12.9183 12.9431 12.9431 k = 0.2449 0.2695 0.0000 ( 9864 PWs) bands (ev): -36.9820 -36.9820 -36.9768 -36.9768 -32.5054 -32.5054 -13.9213 -13.9212 -13.5855 -13.5855 -13.5631 -13.5631 -12.1910 -12.1910 -10.7902 -10.7901 -10.7867 -10.7867 -10.7698 -10.7698 0.1659 0.1659 1.8998 1.8998 1.9028 1.9028 2.1951 2.1951 2.8345 2.8345 3.2919 3.2919 3.9838 3.9839 4.0497 4.0497 4.0616 4.0616 4.9295 4.9295 4.9413 4.9413 5.0787 5.0787 11.8494 11.8494 12.0977 12.0977 12.9185 12.9185 12.9248 12.9248 k = 0.2551 0.2807 0.0000 ( 9872 PWs) bands (ev): -36.9818 -36.9818 -36.9769 -36.9769 -32.5053 -32.5053 -13.9250 -13.9249 -13.5901 -13.5901 -13.5670 -13.5670 -12.1762 -12.1762 -10.7946 -10.7945 -10.7869 -10.7868 -10.7680 -10.7680 0.1554 0.1554 1.9411 1.9411 1.9442 1.9442 2.2280 2.2280 2.8085 2.8085 3.2627 3.2627 3.9323 3.9323 4.0185 4.0185 4.0311 4.0311 4.9449 4.9449 4.9566 4.9566 5.1085 5.1085 11.8604 11.8604 12.1269 12.1269 12.8955 12.8955 12.9013 12.9013 k = 0.2653 0.2920 0.0000 ( 9868 PWs) bands (ev): -36.9817 -36.9817 -36.9770 -36.9770 -32.5053 -32.5053 -13.9285 -13.9285 -13.5944 -13.5943 -13.5709 -13.5709 -12.1625 -12.1625 -10.7997 -10.7997 -10.7856 -10.7856 -10.7662 -10.7662 0.1459 0.1459 1.9831 1.9831 1.9864 1.9864 2.2601 2.2601 2.7833 2.7833 3.2326 3.2326 3.8820 3.8820 3.9867 3.9867 3.9998 3.9998 4.9607 4.9607 4.9722 4.9722 5.1375 5.1375 11.8650 11.8650 12.1561 12.1561 12.8711 12.8711 12.8766 12.8766 k = 0.2755 0.3032 0.0000 ( 9856 PWs) bands (ev): -36.9816 -36.9816 -36.9771 -36.9771 -32.5052 -32.5052 -13.9319 -13.9319 -13.5983 -13.5983 -13.5747 -13.5747 -12.1498 -12.1498 -10.8044 -10.8044 -10.7843 -10.7843 -10.7643 -10.7643 0.1374 0.1374 2.0258 2.0258 2.0293 2.0293 2.2914 2.2914 2.7588 2.7588 3.2016 3.2016 3.8333 3.8333 3.9544 3.9544 3.9678 3.9678 4.9766 4.9766 4.9880 4.9880 5.1657 5.1657 11.8637 11.8637 12.1851 12.1851 12.8458 12.8458 12.8511 12.8511 k = 0.2857 0.3144 0.0000 ( 9860 PWs) bands (ev): -36.9814 -36.9814 -36.9772 -36.9772 -32.5052 -32.5052 -13.9352 -13.9352 -13.6019 -13.6019 -13.5785 -13.5785 -12.1383 -12.1383 -10.8084 -10.8084 -10.7829 -10.7829 -10.7625 -10.7625 0.1300 0.1300 2.0691 2.0691 2.0728 2.0728 2.3218 2.3218 2.7352 2.7352 3.1699 3.1699 3.7863 3.7863 3.9214 3.9214 3.9351 3.9351 4.9928 4.9928 5.0041 5.0041 5.1930 5.1930 11.8575 11.8575 12.2139 12.2139 12.8198 12.8198 12.8248 12.8248 k = 0.2959 0.3256 0.0000 ( 9852 PWs) bands (ev): -36.9813 -36.9813 -36.9773 -36.9773 -32.5051 -32.5051 -13.9383 -13.9383 -13.6051 -13.6051 -13.5823 -13.5823 -12.1279 -12.1279 -10.8117 -10.8117 -10.7815 -10.7815 -10.7607 -10.7607 0.1235 0.1235 2.1130 2.1130 2.1168 2.1168 2.3511 2.3511 2.7125 2.7125 3.1378 3.1378 3.7411 3.7411 3.8879 3.8879 3.9017 3.9017 5.0091 5.0091 5.0203 5.0203 5.2194 5.2194 11.8472 11.8472 12.2423 12.2423 12.7931 12.7931 12.7979 12.7979 k = 0.3061 0.3369 0.0000 ( 9852 PWs) bands (ev): -36.9812 -36.9812 -36.9774 -36.9774 -32.5051 -32.5051 -13.9412 -13.9412 -13.6081 -13.6081 -13.5860 -13.5860 -12.1187 -12.1187 -10.8144 -10.8144 -10.7801 -10.7801 -10.7590 -10.7590 0.1179 0.1179 2.1573 2.1573 2.1612 2.1612 2.3793 2.3793 2.6907 2.6907 3.1055 3.1055 3.6979 3.6979 3.8537 3.8537 3.8677 3.8677 5.0255 5.0255 5.0366 5.0366 5.2447 5.2447 11.8337 11.8337 12.2701 12.2701 12.7659 12.7659 12.7704 12.7704 k = 0.3163 0.3481 0.0000 ( 9844 PWs) bands (ev): -36.9811 -36.9811 -36.9775 -36.9775 -32.5050 -32.5050 -13.9440 -13.9440 -13.6107 -13.6107 -13.5896 -13.5896 -12.1107 -12.1107 -10.8163 -10.8163 -10.7787 -10.7787 -10.7572 -10.7572 0.1133 0.1133 2.2019 2.2019 2.2060 2.2060 2.4063 2.4063 2.6698 2.6698 3.0732 3.0732 3.6568 3.6568 3.8190 3.8191 3.8331 3.8331 5.0419 5.0419 5.0528 5.0528 5.2691 5.2691 11.8177 11.8177 12.2974 12.2974 12.7382 12.7382 12.7425 12.7425 k = 0.3265 0.3593 0.0000 ( 9840 PWs) bands (ev): -36.9810 -36.9810 -36.9776 -36.9776 -32.5050 -32.5050 -13.9466 -13.9466 -13.6130 -13.6130 -13.5931 -13.5931 -12.1037 -12.1037 -10.8176 -10.8176 -10.7773 -10.7773 -10.7556 -10.7555 0.1094 0.1094 2.2468 2.2468 2.2510 2.2510 2.4319 2.4319 2.6499 2.6499 3.0412 3.0412 3.6178 3.6178 3.7839 3.7839 3.7980 3.7980 5.0582 5.0582 5.0691 5.0691 5.2923 5.2923 11.7998 11.7998 12.3238 12.3238 12.7102 12.7102 12.7143 12.7143 k = 0.3367 0.3706 0.0000 ( 9848 PWs) bands (ev): -36.9808 -36.9808 -36.9777 -36.9777 -32.5049 -32.5049 -13.9491 -13.9491 -13.6151 -13.6151 -13.5964 -13.5964 -12.0979 -12.0979 -10.8183 -10.8183 -10.7759 -10.7759 -10.7539 -10.7539 0.1063 0.1063 2.2918 2.2918 2.2962 2.2962 2.4560 2.4560 2.6310 2.6310 3.0097 3.0097 3.5809 3.5809 3.7482 3.7482 3.7624 3.7624 5.0743 5.0743 5.0851 5.0851 5.3144 5.3144 11.7807 11.7807 12.3494 12.3494 12.6822 12.6822 12.6860 12.6860 k = 0.3469 0.3818 0.0000 ( 9864 PWs) bands (ev): -36.9807 -36.9807 -36.9778 -36.9778 -32.5049 -32.5049 -13.9513 -13.9513 -13.6168 -13.6168 -13.5997 -13.5997 -12.0931 -12.0931 -10.8185 -10.8185 -10.7746 -10.7746 -10.7523 -10.7523 0.1039 0.1039 2.3369 2.3369 2.3414 2.3414 2.4787 2.4787 2.6132 2.6132 2.9789 2.9790 3.5463 3.5463 3.7122 3.7122 3.7264 3.7264 5.0902 5.0902 5.1009 5.1009 5.3354 5.3354 11.7609 11.7609 12.3740 12.3740 12.6542 12.6542 12.6577 12.6577 k = 0.3571 0.3930 0.0000 ( 9864 PWs) bands (ev): -36.9806 -36.9806 -36.9779 -36.9779 -32.5048 -32.5048 -13.9534 -13.9534 -13.6183 -13.6183 -13.6028 -13.6028 -12.0892 -12.0892 -10.8181 -10.8181 -10.7733 -10.7733 -10.7508 -10.7508 0.1022 0.1022 2.3819 2.3819 2.3865 2.3865 2.4997 2.4997 2.5965 2.5965 2.9492 2.9492 3.5139 3.5139 3.6758 3.6758 3.6900 3.6900 5.1057 5.1057 5.1164 5.1164 5.3551 5.3551 11.7408 11.7408 12.3975 12.3975 12.6265 12.6265 12.6298 12.6298 k = 0.3673 0.4042 0.0000 ( 9848 PWs) bands (ev): -36.9805 -36.9805 -36.9780 -36.9780 -32.5048 -32.5048 -13.9554 -13.9554 -13.6196 -13.6196 -13.6057 -13.6057 -12.0862 -12.0862 -10.8173 -10.8173 -10.7720 -10.7719 -10.7494 -10.7494 0.1010 0.1010 2.4268 2.4268 2.4314 2.4315 2.5189 2.5189 2.5811 2.5811 2.9207 2.9207 3.4838 3.4838 3.6391 3.6391 3.6534 3.6534 5.1208 5.1208 5.1314 5.1314 5.3737 5.3737 11.7207 11.7207 12.4198 12.4198 12.5993 12.5993 12.6023 12.6023 k = 0.3776 0.4155 0.0000 ( 9848 PWs) bands (ev): -36.9804 -36.9804 -36.9781 -36.9781 -32.5047 -32.5047 -13.9572 -13.9572 -13.6206 -13.6206 -13.6085 -13.6085 -12.0840 -12.0840 -10.8162 -10.8162 -10.7707 -10.7707 -10.7480 -10.7480 0.1003 0.1003 2.4714 2.4714 2.4761 2.4761 2.5360 2.5360 2.5672 2.5672 2.8937 2.8937 3.4561 3.4561 3.6023 3.6023 3.6165 3.6165 5.1353 5.1353 5.1458 5.1458 5.3909 5.3909 11.7011 11.7011 12.4408 12.4408 12.5728 12.5728 12.5756 12.5756 k = 0.3878 0.4267 0.0000 ( 9844 PWs) bands (ev): -36.9803 -36.9803 -36.9781 -36.9781 -32.5047 -32.5047 -13.9588 -13.9588 -13.6215 -13.6215 -13.6111 -13.6111 -12.0824 -12.0824 -10.8148 -10.8148 -10.7694 -10.7694 -10.7467 -10.7467 0.1000 0.1000 2.5154 2.5154 2.5200 2.5200 2.5469 2.5469 2.5593 2.5593 2.8683 2.8683 3.4307 3.4307 3.5653 3.5653 3.5796 3.5796 5.1492 5.1492 5.1596 5.1596 5.4069 5.4069 11.6821 11.6821 12.4604 12.4604 12.5473 12.5473 12.5500 12.5500 k = 0.3980 0.4379 0.0000 ( 9852 PWs) bands (ev): -36.9803 -36.9803 -36.9782 -36.9782 -32.5047 -32.5047 -13.9603 -13.9603 -13.6222 -13.6222 -13.6135 -13.6135 -12.0814 -12.0814 -10.8132 -10.8132 -10.7683 -10.7683 -10.7456 -10.7456 0.1000 0.1000 2.5373 2.5373 2.5587 2.5587 2.5647 2.5647 2.5699 2.5699 2.8449 2.8449 3.4076 3.4076 3.5284 3.5284 3.5427 3.5427 5.1623 5.1623 5.1727 5.1727 5.4216 5.4216 11.6641 11.6641 12.4785 12.4785 12.5230 12.5230 12.5256 12.5256 k = 0.4082 0.4492 0.0000 ( 9852 PWs) bands (ev): -36.9802 -36.9802 -36.9783 -36.9783 -32.5046 -32.5046 -13.9616 -13.9616 -13.6227 -13.6227 -13.6157 -13.6157 -12.0809 -12.0809 -10.8115 -10.8115 -10.7671 -10.7671 -10.7445 -10.7445 0.1003 0.1003 2.5272 2.5273 2.5797 2.5797 2.6030 2.6030 2.6075 2.6075 2.8234 2.8234 3.3869 3.3869 3.4917 3.4917 3.5060 3.5060 5.1745 5.1745 5.1848 5.1848 5.4349 5.4349 11.6472 11.6472 12.4937 12.4937 12.5004 12.5004 12.5037 12.5037 k = 0.4184 0.4604 0.0000 ( 9848 PWs) bands (ev): -36.9801 -36.9801 -36.9783 -36.9783 -32.5046 -32.5046 -13.9628 -13.9628 -13.6231 -13.6231 -13.6177 -13.6177 -12.0807 -12.0807 -10.8097 -10.8097 -10.7661 -10.7661 -10.7435 -10.7435 0.1008 0.1008 2.5174 2.5175 2.5902 2.5902 2.6447 2.6447 2.6493 2.6493 2.8041 2.8041 3.3685 3.3685 3.4554 3.4554 3.4697 3.4697 5.1858 5.1858 5.1960 5.1960 5.4469 5.4469 11.6316 11.6316 12.4787 12.4787 12.4806 12.4806 12.5111 12.5111 k = 0.4286 0.4716 0.0000 ( 9852 PWs) bands (ev): -36.9801 -36.9801 -36.9784 -36.9784 -32.5046 -32.5046 -13.9638 -13.9638 -13.6234 -13.6234 -13.6195 -13.6195 -12.0808 -12.0808 -10.8080 -10.8080 -10.7651 -10.7651 -10.7426 -10.7426 0.1014 0.1014 2.5086 2.5086 2.5988 2.5988 2.6853 2.6853 2.6898 2.6898 2.7873 2.7873 3.3523 3.3523 3.4199 3.4200 3.4341 3.4341 5.1960 5.1960 5.2062 5.2062 5.4575 5.4575 11.6175 11.6175 12.4595 12.4595 12.4614 12.4614 12.5244 12.5244 k = 0.4388 0.4829 0.0000 ( 9832 PWs) bands (ev): -36.9800 -36.9800 -36.9784 -36.9784 -32.5045 -32.5045 -13.9647 -13.9647 -13.6236 -13.6236 -13.6210 -13.6210 -12.0811 -12.0811 -10.8065 -10.8065 -10.7642 -10.7641 -10.7418 -10.7418 0.1021 0.1021 2.5009 2.5009 2.6057 2.6058 2.7241 2.7241 2.7284 2.7284 2.7731 2.7731 3.3381 3.3381 3.3858 3.3859 3.3997 3.3997 5.2050 5.2050 5.2152 5.2152 5.4668 5.4668 11.6050 11.6050 12.4423 12.4423 12.4442 12.4442 12.5361 12.5361 k = 0.4490 0.4941 0.0000 ( 9836 PWs) bands (ev): -36.9800 -36.9800 -36.9784 -36.9784 -32.5045 -32.5045 -13.9654 -13.9654 -13.6237 -13.6237 -13.6223 -13.6223 -12.0815 -12.0815 -10.8050 -10.8050 -10.7633 -10.7633 -10.7411 -10.7411 0.1028 0.1028 2.4944 2.4944 2.6111 2.6111 2.7555 2.7555 2.7626 2.7626 2.7684 2.7685 3.3252 3.3252 3.3543 3.3543 3.3670 3.3670 5.2128 5.2128 5.2229 5.2229 5.4746 5.4746 11.5943 11.5943 12.4274 12.4274 12.4292 12.4292 12.5461 12.5461 k = 0.4592 0.5053 0.0000 ( 9844 PWs) bands (ev): -36.9799 -36.9799 -36.9785 -36.9785 -32.5045 -32.5045 -13.9661 -13.9661 -13.6238 -13.6238 -13.6234 -13.6234 -12.0819 -12.0819 -10.8038 -10.8038 -10.7627 -10.7627 -10.7406 -10.7406 0.1034 0.1034 2.4890 2.4890 2.6149 2.6149 2.7497 2.7497 2.7949 2.7949 2.7990 2.7990 3.3104 3.3104 3.3294 3.3294 3.3370 3.3370 5.2193 5.2193 5.2294 5.2294 5.4810 5.4810 11.5853 11.5853 12.4150 12.4150 12.4168 12.4168 12.5544 12.5544 k = 0.4694 0.5165 0.0000 ( 9844 PWs) bands (ev): -36.9799 -36.9799 -36.9785 -36.9785 -32.5045 -32.5045 -13.9665 -13.9665 -13.6243 -13.6243 -13.6238 -13.6238 -12.0823 -12.0823 -10.8028 -10.8028 -10.7621 -10.7621 -10.7402 -10.7402 0.1039 0.1039 2.4848 2.4848 2.6176 2.6176 2.7426 2.7426 2.8238 2.8238 2.8276 2.8276 3.2895 3.2895 3.3106 3.3106 3.3165 3.3165 5.2244 5.2244 5.2345 5.2345 5.4860 5.4860 11.5783 11.5783 12.4052 12.4052 12.4069 12.4069 12.5609 12.5609 k = 0.4796 0.5278 0.0000 ( 9840 PWs) bands (ev): -36.9799 -36.9799 -36.9785 -36.9785 -32.5045 -32.5045 -13.9669 -13.9669 -13.6249 -13.6249 -13.6239 -13.6239 -12.0826 -12.0826 -10.8021 -10.8021 -10.7617 -10.7617 -10.7399 -10.7399 0.1043 0.1043 2.4818 2.4818 2.6193 2.6193 2.7376 2.7376 2.8468 2.8468 2.8503 2.8503 3.2696 3.2696 3.2897 3.2897 3.3100 3.3100 5.2281 5.2281 5.2381 5.2381 5.4896 5.4896 11.5733 11.5733 12.3981 12.3981 12.3998 12.3998 12.5655 12.5655 k = 0.4898 0.5390 0.0000 ( 9836 PWs) bands (ev): -36.9798 -36.9798 -36.9786 -36.9786 -32.5045 -32.5045 -13.9671 -13.9671 -13.6253 -13.6253 -13.6239 -13.6239 -12.0828 -12.0828 -10.8016 -10.8016 -10.7614 -10.7614 -10.7397 -10.7397 0.1046 0.1046 2.4800 2.4800 2.6202 2.6202 2.7346 2.7346 2.8617 2.8617 2.8652 2.8652 3.2560 3.2560 3.2761 3.2761 3.3065 3.3065 5.2303 5.2303 5.2403 5.2403 5.4918 5.4918 11.5702 11.5702 12.3938 12.3938 12.3955 12.3955 12.5683 12.5683 k = 0.5000 0.5502 0.0000 ( 9852 PWs) bands (ev): -36.9799 -36.9799 -36.9786 -36.9786 -32.5045 -32.5045 -13.9671 -13.9671 -13.6254 -13.6254 -13.6239 -13.6239 -12.0829 -12.0829 -10.8015 -10.8015 -10.7614 -10.7614 -10.7396 -10.7396 0.1047 0.1047 2.4794 2.4794 2.6204 2.6204 2.7337 2.7337 2.8669 2.8669 2.8703 2.8703 3.2512 3.2512 3.2713 3.2713 3.3054 3.3054 5.2310 5.2310 5.2411 5.2411 5.4925 5.4925 11.5692 11.5692 12.3923 12.3923 12.3941 12.3941 12.5692 12.5692 k = 0.5000 0.5502 0.0000 ( 9852 PWs) bands (ev): -36.9799 -36.9799 -36.9786 -36.9786 -32.5045 -32.5045 -13.9671 -13.9671 -13.6254 -13.6254 -13.6239 -13.6239 -12.0829 -12.0829 -10.8015 -10.8015 -10.7614 -10.7614 -10.7396 -10.7396 0.1047 0.1047 2.4794 2.4794 2.6204 2.6204 2.7337 2.7337 2.8669 2.8669 2.8703 2.8703 3.2512 3.2512 3.2713 3.2713 3.3054 3.3054 5.2310 5.2310 5.2411 5.2411 5.4925 5.4925 11.5692 11.5692 12.3923 12.3923 12.3941 12.3941 12.5692 12.5692 k = 0.4924 0.5571 0.0103 ( 9852 PWs) bands (ev): -36.9799 -36.9799 -36.9786 -36.9786 -32.5045 -32.5045 -13.9683 -13.9660 -13.6265 -13.6259 -13.6242 -13.6219 -12.0826 -12.0826 -10.8037 -10.8000 -10.7636 -10.7594 -10.7396 -10.7396 0.1047 0.1047 2.4796 2.4800 2.6183 2.6188 2.7292 2.7295 2.8667 2.8673 2.8703 2.8709 3.2436 3.2547 3.2685 3.2715 3.3121 3.3200 5.2300 5.2308 5.2405 5.2405 5.4915 5.4923 11.5702 11.5704 12.3922 12.3926 12.3941 12.3942 12.5685 12.5688 k = 0.4848 0.5640 0.0205 ( 9852 PWs) bands (ev): -36.9798 -36.9798 -36.9786 -36.9786 -32.5045 -32.5045 -13.9694 -13.9647 -13.6282 -13.6268 -13.6238 -13.6196 -12.0818 -12.0818 -10.8063 -10.7992 -10.7657 -10.7579 -10.7397 -10.7393 0.1049 0.1049 2.4807 2.4814 2.6124 2.6135 2.7171 2.7177 2.8657 2.8674 2.8709 2.8714 3.2341 3.2490 3.2746 3.2788 3.3335 3.3437 5.2278 5.2294 5.2387 5.2388 5.4895 5.4910 11.5735 11.5739 12.3921 12.3930 12.3944 12.3945 12.5667 12.5673 k = 0.4772 0.5709 0.0308 ( 9852 PWs) bands (ev): -36.9798 -36.9798 -36.9786 -36.9786 -32.5045 -32.5045 -13.9704 -13.9635 -13.6297 -13.6278 -13.6234 -13.6170 -12.0805 -12.0805 -10.8092 -10.7993 -10.7678 -10.7576 -10.7398 -10.7383 0.1051 0.1051 2.4825 2.4835 2.6035 2.6050 2.6994 2.7001 2.8636 2.8663 2.8698 2.8704 3.2278 3.2429 3.2903 3.2937 3.3602 3.3713 5.2242 5.2267 5.2359 5.2360 5.4863 5.4885 11.5790 11.5796 12.3921 12.3932 12.3950 12.3952 12.5638 12.5647 k = 0.4697 0.5778 0.0410 ( 9850 PWs) bands (ev): -36.9798 -36.9798 -36.9786 -36.9786 -32.5045 -32.5045 -13.9714 -13.9622 -13.6311 -13.6290 -13.6232 -13.6142 -12.0787 -12.0787 -10.8124 -10.8003 -10.7698 -10.7587 -10.7398 -10.7365 0.1054 0.1054 2.4850 2.4864 2.5922 2.5941 2.6780 2.6786 2.8605 2.8635 2.8650 2.8663 3.2273 3.2422 3.3118 3.3146 3.3896 3.4010 5.2191 5.2227 5.2321 5.2324 5.4821 5.4849 11.5866 11.5874 12.3920 12.3934 12.3958 12.3963 12.5600 12.5612 k = 0.4621 0.5847 0.0513 ( 9844 PWs) bands (ev): -36.9798 -36.9798 -36.9786 -36.9786 -32.5045 -32.5045 -13.9724 -13.9610 -13.6322 -13.6303 -13.6230 -13.6112 -12.0764 -12.0763 -10.8158 -10.8021 -10.7721 -10.7610 -10.7394 -10.7339 0.1058 0.1058 2.4881 2.4898 2.5793 2.5817 2.6541 2.6546 2.8540 2.8550 2.8575 2.8619 3.2335 3.2480 3.3382 3.3405 3.4206 3.4322 5.2126 5.2172 5.2274 5.2280 5.4767 5.4803 11.5964 11.5974 12.3919 12.3935 12.3968 12.3976 12.5552 12.5567 k = 0.4545 0.5916 0.0615 ( 9830 PWs) bands (ev): -36.9798 -36.9798 -36.9786 -36.9786 -32.5045 -32.5045 -13.9732 -13.9597 -13.6332 -13.6317 -13.6230 -13.6081 -12.0736 -12.0736 -10.8193 -10.8045 -10.7749 -10.7645 -10.7386 -10.7307 0.1062 0.1062 2.4918 2.4937 2.5658 2.5685 2.6286 2.6290 2.8392 2.8402 2.8524 2.8577 3.2459 3.2599 3.3685 3.3704 3.4528 3.4646 5.2046 5.2101 5.2221 5.2228 5.4703 5.4745 11.6081 11.6093 12.3919 12.3936 12.3978 12.3989 12.5497 12.5515 k = 0.4469 0.5985 0.0718 ( 9832 PWs) bands (ev): -36.9797 -36.9797 -36.9787 -36.9787 -32.5045 -32.5045 -13.9741 -13.9584 -13.6339 -13.6332 -13.6230 -13.6048 -12.0704 -12.0704 -10.8229 -10.8075 -10.7784 -10.7689 -10.7372 -10.7273 0.1066 0.1066 2.4957 2.4978 2.5522 2.5555 2.6021 2.6024 2.8194 2.8208 2.8470 2.8529 3.2636 3.2772 3.4021 3.4038 3.4859 3.4977 5.1953 5.2014 5.2162 5.2170 5.4628 5.4675 11.6217 11.6231 12.3918 12.3938 12.3988 12.4002 12.5437 12.5459 k = 0.4393 0.6054 0.0820 ( 9822 PWs) bands (ev): -36.9797 -36.9797 -36.9787 -36.9787 -32.5046 -32.5046 -13.9748 -13.9571 -13.6348 -13.6345 -13.6230 -13.6013 -12.0669 -12.0669 -10.8265 -10.8107 -10.7828 -10.7741 -10.7354 -10.7236 0.1069 0.1069 2.4997 2.5016 2.5394 2.5435 2.5751 2.5752 2.7960 2.7976 2.8409 2.8475 3.2856 3.2987 3.4383 3.4397 3.5197 3.5315 5.1846 5.1914 5.2096 5.2104 5.4543 5.4595 11.6369 11.6386 12.3919 12.3941 12.3994 12.4010 12.5376 12.5400 k = 0.4317 0.6123 0.0923 ( 9824 PWs) bands (ev): -36.9796 -36.9796 -36.9788 -36.9788 -32.5046 -32.5046 -13.9755 -13.9558 -13.6365 -13.6348 -13.6231 -13.5976 -12.0631 -12.0631 -10.8302 -10.8142 -10.7879 -10.7799 -10.7331 -10.7199 0.1072 0.1072 2.5028 2.5040 2.5284 2.5334 2.5480 2.5482 2.7698 2.7715 2.8345 2.8417 3.3108 3.3236 3.4765 3.4777 3.5540 3.5658 5.1727 5.1801 5.2023 5.2031 5.4447 5.4505 11.6537 11.6557 12.3919 12.3946 12.3994 12.4011 12.5317 12.5344 k = 0.4241 0.6192 0.1025 ( 9824 PWs) bands (ev): -36.9796 -36.9796 -36.9788 -36.9788 -32.5046 -32.5046 -13.9761 -13.9545 -13.6382 -13.6349 -13.6232 -13.5938 -12.0591 -12.0590 -10.8338 -10.8178 -10.7937 -10.7863 -10.7304 -10.7161 0.1073 0.1074 2.5026 2.5032 2.5173 2.5182 2.5245 2.5315 2.7415 2.7433 2.8280 2.8358 3.3385 3.3509 3.5162 3.5173 3.5887 3.6004 5.1597 5.1675 5.1943 5.1951 5.4341 5.4404 11.6718 11.6741 12.3919 12.3952 12.3987 12.4001 12.5266 12.5295 k = 0.4165 0.6261 0.1128 ( 9826 PWs) bands (ev): -36.9795 -36.9795 -36.9789 -36.9789 -32.5046 -32.5046 -13.9766 -13.9532 -13.6399 -13.6349 -13.6233 -13.5898 -12.0548 -12.0548 -10.8375 -10.8215 -10.8002 -10.7932 -10.7275 -10.7123 0.1074 0.1074 2.4896 2.4900 2.4996 2.5013 2.5218 2.5303 2.7115 2.7135 2.8218 2.8303 3.3680 3.3801 3.5570 3.5578 3.6237 3.6353 5.1456 5.1539 5.1856 5.1865 5.4225 5.4292 11.6909 11.6934 12.3910 12.3959 12.3975 12.3976 12.5228 12.5258 k = 0.4090 0.6330 0.1230 ( 9818 PWs) bands (ev): -36.9795 -36.9795 -36.9789 -36.9789 -32.5046 -32.5046 -13.9770 -13.9519 -13.6416 -13.6346 -13.6234 -13.5857 -12.0505 -12.0504 -10.8411 -10.8252 -10.8072 -10.8004 -10.7244 -10.7086 0.1072 0.1072 2.4622 2.4632 2.4947 2.4948 2.5234 2.5318 2.6805 2.6824 2.8162 2.8254 3.3988 3.4107 3.5983 3.5990 3.6589 3.6704 5.1306 5.1393 5.1762 5.1771 5.4100 5.4171 11.7107 11.7135 12.3882 12.3933 12.3969 12.3969 12.5210 12.5240 k = 0.4014 0.6398 0.1333 ( 9818 PWs) bands (ev): -36.9794 -36.9794 -36.9790 -36.9790 -32.5047 -32.5047 -13.9774 -13.9506 -13.6433 -13.6341 -13.6234 -13.5815 -12.0462 -12.0461 -10.8448 -10.8289 -10.8147 -10.8079 -10.7212 -10.7048 0.1069 0.1069 2.4344 2.4358 2.4903 2.4911 2.5252 2.5335 2.6485 2.6504 2.8119 2.8216 3.4307 3.4422 3.6399 3.6404 3.6944 3.7057 5.1148 5.1239 5.1662 5.1671 5.3966 5.4040 11.7307 11.7338 12.3830 12.3873 12.3973 12.3981 12.5215 12.5242 k = 0.4014 0.6398 0.1333 ( 9818 PWs) bands (ev): -36.9794 -36.9794 -36.9790 -36.9790 -32.5047 -32.5047 -13.9774 -13.9506 -13.6433 -13.6341 -13.6234 -13.5815 -12.0462 -12.0461 -10.8448 -10.8289 -10.8147 -10.8079 -10.7212 -10.7048 0.1069 0.1069 2.4344 2.4358 2.4903 2.4911 2.5252 2.5335 2.6485 2.6504 2.8119 2.8216 3.4307 3.4422 3.6399 3.6404 3.6944 3.7057 5.1148 5.1239 5.1662 5.1671 5.3966 5.4040 11.7307 11.7338 12.3830 12.3873 12.3973 12.3981 12.5215 12.5242 k = 0.3884 0.6354 0.1399 ( 9820 PWs) bands (ev): -36.9794 -36.9794 -36.9790 -36.9790 -32.5047 -32.5047 -13.9775 -13.9498 -13.6449 -13.6330 -13.6234 -13.5786 -12.0433 -12.0432 -10.8475 -10.8318 -10.8198 -10.8122 -10.7191 -10.7024 0.1065 0.1066 2.4141 2.4164 2.4873 2.4890 2.5266 2.5343 2.6274 2.6306 2.8116 2.8215 3.4515 3.4630 3.6581 3.6636 3.7248 3.7356 5.1035 5.1129 5.1582 5.1602 5.3875 5.3952 11.7441 11.7473 12.3774 12.3813 12.3997 12.4014 12.5233 12.5258 k = 0.3755 0.6310 0.1465 ( 9830 PWs) bands (ev): -36.9793 -36.9793 -36.9791 -36.9791 -32.5047 -32.5047 -13.9776 -13.9491 -13.6473 -13.6309 -13.6236 -13.5754 -12.0403 -12.0402 -10.8512 -10.8363 -10.8246 -10.8153 -10.7169 -10.6999 0.1062 0.1063 2.3902 2.3934 2.4819 2.4853 2.5279 2.5339 2.6090 2.6152 2.8147 2.8247 3.4725 3.4840 3.6689 3.6773 3.7659 3.7756 5.0906 5.1003 5.1483 5.1520 5.3784 5.3862 11.7583 11.7618 12.3700 12.3735 12.4056 12.4077 12.5267 12.5289 k = 0.3625 0.6265 0.1531 ( 9829 PWs) bands (ev): -36.9793 -36.9793 -36.9791 -36.9791 -32.5047 -32.5047 -13.9777 -13.9484 -13.6499 -13.6283 -13.6236 -13.5718 -12.0372 -12.0371 -10.8560 -10.8426 -10.8284 -10.8177 -10.7146 -10.6974 0.1059 0.1060 2.3631 2.3671 2.4717 2.4771 2.5285 2.5313 2.5984 2.6075 2.8205 2.8305 3.4935 3.5051 3.6774 3.6872 3.8115 3.8202 5.0759 5.0861 5.1367 5.1420 5.3695 5.3774 11.7733 11.7769 12.3617 12.3649 12.4138 12.4161 12.5317 12.5338 k = 0.3496 0.6221 0.1597 ( 9825 PWs) bands (ev): -36.9793 -36.9793 -36.9792 -36.9792 -32.5047 -32.5047 -13.9777 -13.9479 -13.6525 -13.6265 -13.6225 -13.5680 -12.0340 -12.0338 -10.8618 -10.8502 -10.8313 -10.8196 -10.7123 -10.6949 0.1057 0.1059 2.3328 2.3374 2.4555 2.4621 2.5288 2.5298 2.5971 2.6079 2.8283 2.8383 3.5146 3.5263 3.6854 3.6961 3.8588 3.8668 5.0594 5.0702 5.1235 5.1304 5.3610 5.3689 11.7886 11.7924 12.3529 12.3558 12.4239 12.4263 12.5387 12.5406 k = 0.3366 0.6177 0.1663 ( 9825 PWs) bands (ev): -36.9792 -36.9792 -36.9792 -36.9792 -32.5048 -32.5048 -13.9777 -13.9475 -13.6552 -13.6263 -13.6194 -13.5639 -12.0306 -12.0304 -10.8685 -10.8587 -10.8336 -10.8213 -10.7098 -10.6923 0.1057 0.1059 2.2991 2.3043 2.4348 2.4413 2.5298 2.5323 2.6024 2.6140 2.8377 2.8477 3.5357 3.5474 3.6935 3.7048 3.9067 3.9141 5.0411 5.0523 5.1088 5.1171 5.3529 5.3609 11.8040 11.8079 12.3442 12.3468 12.4359 12.4382 12.5474 12.5493 k = 0.3237 0.6132 0.1729 ( 9833 PWs) bands (ev): -36.9792 -36.9792 -36.9792 -36.9792 -32.5048 -32.5048 -13.9777 -13.9472 -13.6577 -13.6268 -13.6153 -13.5596 -12.0271 -12.0269 -10.8759 -10.8678 -10.8355 -10.8230 -10.7072 -10.6897 0.1059 0.1062 2.2622 2.2677 2.4123 2.4183 2.5334 2.5368 2.6115 2.6236 2.8483 2.8584 3.5566 3.5685 3.7021 3.7138 3.9545 3.9614 5.0210 5.0325 5.0929 5.1023 5.3455 5.3533 11.8190 11.8230 12.3361 12.3383 12.4494 12.4516 12.5579 12.5597 k = 0.3107 0.6088 0.1794 ( 9827 PWs) bands (ev): -36.9793 -36.9793 -36.9792 -36.9792 -32.5048 -32.5048 -13.9778 -13.9471 -13.6601 -13.6276 -13.6107 -13.5551 -12.0235 -12.0233 -10.8839 -10.8772 -10.8372 -10.8246 -10.7044 -10.6870 0.1064 0.1067 2.2221 2.2278 2.3899 2.3953 2.5391 2.5430 2.6230 2.6354 2.8598 2.8700 3.5775 3.5894 3.7112 3.7232 4.0020 4.0085 4.9991 5.0106 5.0760 5.0861 5.3387 5.3463 11.8333 11.8374 12.3293 12.3311 12.4643 12.4664 12.5699 12.5718 k = 0.2978 0.6044 0.1860 ( 9826 PWs) bands (ev): -36.9793 -36.9793 -36.9792 -36.9792 -32.5049 -32.5049 -13.9778 -13.9471 -13.6623 -13.6284 -13.6058 -13.5504 -12.0198 -12.0196 -10.8925 -10.8869 -10.8388 -10.8264 -10.7016 -10.6844 0.1073 0.1076 2.1795 2.1852 2.3686 2.3734 2.5464 2.5505 2.6359 2.6486 2.8720 2.8824 3.5982 3.6101 3.7209 3.7331 4.0486 4.0549 4.9754 4.9866 5.0584 5.0688 5.3325 5.3399 11.8463 11.8504 12.3243 12.3257 12.4805 12.4825 12.5835 12.5855 k = 0.2848 0.5999 0.1926 ( 9834 PWs) bands (ev): -36.9793 -36.9793 -36.9791 -36.9791 -32.5049 -32.5049 -13.9779 -13.9474 -13.6643 -13.6293 -13.6006 -13.5457 -12.0161 -12.0159 -10.9014 -10.8968 -10.8404 -10.8281 -10.6987 -10.6817 0.1085 0.1089 2.1348 2.1404 2.3485 2.3530 2.5547 2.5591 2.6500 2.6629 2.8848 2.8953 3.6187 3.6305 3.7313 3.7435 4.0943 4.1003 4.9499 4.9607 5.0402 5.0506 5.3268 5.3340 11.8576 11.8617 12.3219 12.3230 12.4978 12.4997 12.5984 12.6005 k = 0.2719 0.5955 0.1992 ( 9826 PWs) bands (ev): -36.9793 -36.9793 -36.9791 -36.9791 -32.5049 -32.5049 -13.9780 -13.9478 -13.6661 -13.6302 -13.5950 -13.5409 -12.0124 -12.0121 -10.9106 -10.9069 -10.8419 -10.8300 -10.6958 -10.6790 0.1102 0.1107 2.0885 2.0939 2.3297 2.3339 2.5640 2.5685 2.6649 2.6780 2.8979 2.9086 3.6391 3.6507 3.7424 3.7545 4.1388 4.1445 4.9227 4.9329 5.0215 5.0317 5.3217 5.3286 11.8667 11.8707 12.3225 12.3236 12.5161 12.5178 12.6144 12.6167 k = 0.2590 0.5910 0.2058 ( 9829 PWs) bands (ev): -36.9794 -36.9794 -36.9791 -36.9791 -32.5049 -32.5049 -13.9782 -13.9485 -13.6675 -13.6311 -13.5893 -13.5360 -12.0086 -12.0082 -10.9201 -10.9169 -10.8434 -10.8319 -10.6927 -10.6764 0.1124 0.1129 2.0413 2.0465 2.3123 2.3162 2.5740 2.5787 2.6805 2.6938 2.9113 2.9221 3.6593 3.6704 3.7544 3.7661 4.1818 4.1874 4.8939 4.9034 5.0026 5.0123 5.3170 5.3235 11.8732 11.8773 12.3266 12.3281 12.5352 12.5367 12.6315 12.6340 k = 0.2460 0.5866 0.2124 ( 9828 PWs) bands (ev): -36.9794 -36.9794 -36.9791 -36.9791 -32.5050 -32.5050 -13.9785 -13.9493 -13.6687 -13.6320 -13.5834 -13.5312 -12.0048 -12.0044 -10.9297 -10.9270 -10.8450 -10.8339 -10.6896 -10.6738 0.1152 0.1158 1.9935 1.9984 2.2961 2.2998 2.5846 2.5893 2.6966 2.7100 2.9248 2.9358 3.6793 3.6898 3.7672 3.7783 4.2233 4.2286 4.8638 4.8724 4.9836 4.9926 5.3127 5.3189 11.8772 11.8811 12.3345 12.3366 12.5549 12.5562 12.6494 12.6522 k = 0.2331 0.5822 0.2190 ( 9826 PWs) bands (ev): -36.9794 -36.9794 -36.9791 -36.9791 -32.5050 -32.5050 -13.9787 -13.9504 -13.6697 -13.6330 -13.5773 -13.5264 -12.0010 -12.0006 -10.9395 -10.9369 -10.8465 -10.8359 -10.6865 -10.6712 0.1185 0.1191 1.9456 1.9502 2.2809 2.2844 2.5955 2.6003 2.7131 2.7267 2.9384 2.9496 3.6989 3.7086 3.7809 3.7911 4.2630 4.2681 4.8323 4.8401 4.9644 4.9727 5.3088 5.3146 11.8785 11.8824 12.3464 12.3491 12.5750 12.5760 12.6681 12.6711 k = 0.2201 0.5777 0.2256 ( 9835 PWs) bands (ev): -36.9794 -36.9794 -36.9791 -36.9791 -32.5050 -32.5050 -13.9791 -13.9516 -13.6703 -13.6339 -13.5711 -13.5218 -11.9972 -11.9968 -10.9493 -10.9467 -10.8481 -10.8380 -10.6834 -10.6687 0.1224 0.1231 1.8978 1.9022 2.2669 2.2702 2.6067 2.6115 2.7300 2.7437 2.9519 2.9632 3.7181 3.7268 3.7956 3.8048 4.3007 4.3057 4.7997 4.8067 4.9453 4.9528 5.3052 5.3107 11.8776 11.8813 12.3621 12.3654 12.5953 12.5961 12.6874 12.6906 k = 0.2072 0.5733 0.2322 ( 9835 PWs) bands (ev): -36.9794 -36.9794 -36.9791 -36.9791 -32.5051 -32.5051 -13.9794 -13.9530 -13.6706 -13.6348 -13.5648 -13.5172 -11.9936 -11.9931 -10.9590 -10.9564 -10.8496 -10.8401 -10.6804 -10.6662 0.1269 0.1276 1.8505 1.8547 2.2538 2.2569 2.6179 2.6227 2.7471 2.7609 2.9652 2.9766 3.7368 3.7442 3.8115 3.8192 4.3364 4.3413 4.7662 4.7725 4.9264 4.9331 5.3019 5.3071 11.8747 11.8783 12.3812 12.3850 12.6156 12.6162 12.7072 12.7106 k = 0.1942 0.5689 0.2388 ( 9838 PWs) bands (ev): -36.9794 -36.9794 -36.9791 -36.9791 -32.5051 -32.5051 -13.9798 -13.9545 -13.6707 -13.6357 -13.5585 -13.5128 -11.9900 -11.9895 -10.9685 -10.9658 -10.8511 -10.8421 -10.6773 -10.6639 0.1320 0.1327 1.8041 1.8080 2.2417 2.2446 2.6290 2.6338 2.7645 2.7782 2.9783 2.9898 3.7548 3.7608 3.8284 3.8346 4.3699 4.3746 4.7320 4.7376 4.9077 4.9136 5.2990 5.3037 11.8704 11.8738 12.4032 12.4076 12.6358 12.6362 12.7274 12.7311 k = 0.1813 0.5644 0.2454 ( 9842 PWs) bands (ev): -36.9794 -36.9794 -36.9791 -36.9791 -32.5051 -32.5051 -13.9803 -13.9562 -13.6705 -13.6366 -13.5522 -13.5086 -11.9865 -11.9860 -10.9779 -10.9750 -10.8526 -10.8442 -10.6743 -10.6616 0.1376 0.1384 1.7587 1.7623 2.2304 2.2332 2.6399 2.6446 2.7819 2.7955 2.9909 3.0025 3.7719 3.7766 3.8463 3.8509 4.4011 4.4058 4.6972 4.7022 4.8893 4.8945 5.2964 5.3008 11.8651 11.8683 12.4276 12.4325 12.6555 12.6558 12.7480 12.7519 k = 0.1683 0.5600 0.2520 ( 9842 PWs) bands (ev): -36.9794 -36.9794 -36.9791 -36.9791 -32.5052 -32.5052 -13.9807 -13.9580 -13.6701 -13.6375 -13.5460 -13.5046 -11.9831 -11.9826 -10.9868 -10.9840 -10.8540 -10.8462 -10.6714 -10.6595 0.1437 0.1445 1.7146 1.7181 2.2200 2.2226 2.6505 2.6550 2.7993 2.8128 3.0031 3.0147 3.7882 3.7916 3.8651 3.8682 4.4300 4.4346 4.6620 4.6666 4.8715 4.8759 5.2941 5.2981 11.8592 11.8623 12.4539 12.4592 12.6744 12.6750 12.7689 12.7731 k = 0.1554 0.5555 0.2586 ( 9844 PWs) bands (ev): -36.9794 -36.9794 -36.9791 -36.9791 -32.5052 -32.5052 -13.9811 -13.9598 -13.6694 -13.6384 -13.5398 -13.5010 -11.9799 -11.9794 -10.9954 -10.9925 -10.8554 -10.8482 -10.6686 -10.6575 0.1502 0.1510 1.6723 1.6754 2.2105 2.2129 2.6606 2.6650 2.8166 2.8299 3.0147 3.0263 3.8035 3.8060 3.8848 3.8864 4.4563 4.4610 4.6267 4.6310 4.8543 4.8579 5.2921 5.2957 11.8532 11.8561 12.4815 12.4871 12.6925 12.6933 12.7903 12.7947 k = 0.1424 0.5511 0.2652 ( 9840 PWs) bands (ev): -36.9794 -36.9794 -36.9791 -36.9791 -32.5052 -32.5052 -13.9815 -13.9617 -13.6686 -13.6393 -13.5338 -13.4976 -11.9768 -11.9763 -11.0036 -11.0007 -10.8567 -10.8501 -10.6659 -10.6556 0.1571 0.1578 1.6318 1.6347 2.2018 2.2040 2.6702 2.6743 2.8336 2.8466 3.0255 3.0371 3.8177 3.8198 3.9049 3.9056 4.4798 4.4849 4.5914 4.5960 4.8377 4.8407 5.2904 5.2937 11.8473 11.8500 12.5098 12.5158 12.7095 12.7106 12.8121 12.8167 k = 0.1295 0.5467 0.2718 ( 9838 PWs) bands (ev): -36.9794 -36.9794 -36.9791 -36.9791 -32.5053 -32.5053 -13.9818 -13.9636 -13.6675 -13.6403 -13.5280 -13.4946 -11.9739 -11.9735 -11.0112 -11.0084 -10.8579 -10.8519 -10.6634 -10.6539 0.1642 0.1649 1.5935 1.5962 2.1939 2.1959 2.6791 2.6830 2.8503 2.8630 3.0356 3.0470 3.8310 3.8329 3.9252 3.9258 4.4994 4.5060 4.5567 4.5629 4.8220 4.8243 5.2891 5.2920 11.8417 11.8442 12.5384 12.5446 12.7252 12.7267 12.8345 12.8392 k = 0.1165 0.5422 0.2784 ( 9838 PWs) bands (ev): -36.9794 -36.9794 -36.9791 -36.9791 -32.5053 -32.5053 -13.9821 -13.9656 -13.6663 -13.6413 -13.5224 -13.4919 -11.9713 -11.9708 -11.0183 -11.0155 -10.8590 -10.8536 -10.6610 -10.6524 0.1713 0.1720 1.5576 1.5601 2.1868 2.1886 2.6873 2.6909 2.8665 2.8787 3.0448 3.0559 3.8434 3.8454 3.9456 3.9467 4.5058 4.5151 4.5322 4.5411 4.8072 4.8089 5.2880 5.2905 11.8366 11.8389 12.5668 12.5732 12.7395 12.7412 12.8576 12.8624 k = 0.1036 0.5378 0.2850 ( 9848 PWs) bands (ev): -36.9794 -36.9794 -36.9792 -36.9792 -32.5053 -32.5053 -13.9822 -13.9675 -13.6650 -13.6423 -13.5171 -13.4896 -11.9688 -11.9684 -11.0247 -11.0221 -10.8600 -10.8552 -10.6587 -10.6510 0.1784 0.1791 1.5245 1.5267 2.1805 2.1821 2.6948 2.6980 2.8820 2.8935 3.0531 3.0637 3.8550 3.8571 3.9663 3.9679 4.4825 4.4850 4.5451 4.5474 4.7935 4.7946 5.2872 5.2894 11.8320 11.8341 12.5943 12.6008 12.7523 12.7542 12.8816 12.8864 k = 0.0906 0.5334 0.2916 ( 9850 PWs) bands (ev): -36.9794 -36.9794 -36.9792 -36.9792 -32.5053 -32.5053 -13.9823 -13.9693 -13.6636 -13.6434 -13.5121 -13.4878 -11.9666 -11.9662 -11.0305 -11.0281 -10.8609 -10.8566 -10.6566 -10.6499 0.1853 0.1859 1.4945 1.4964 2.1750 2.1764 2.7015 2.7043 2.8966 2.9074 3.0603 3.0704 3.8658 3.8678 3.9873 3.9891 4.4512 4.4520 4.5596 4.5606 4.7808 4.7816 5.2866 5.2885 11.8281 11.8300 12.6206 12.6270 12.7633 12.7654 12.9066 12.9114 k = 0.0777 0.5289 0.2982 ( 9844 PWs) bands (ev): -36.9794 -36.9794 -36.9792 -36.9792 -32.5053 -32.5053 -13.9823 -13.9711 -13.6621 -13.6445 -13.5075 -13.4864 -11.9647 -11.9643 -11.0356 -11.0335 -10.8616 -10.8580 -10.6547 -10.6489 0.1918 0.1923 1.4678 1.4694 2.1702 2.1714 2.7073 2.7098 2.9101 2.9200 3.0666 3.0759 3.8756 3.8775 4.0083 4.0103 4.4196 4.4199 4.5725 4.5730 4.7694 4.7699 5.2862 5.2878 11.8249 11.8265 12.6450 12.6512 12.7727 12.7749 12.9327 12.9375 k = 0.0647 0.5245 0.3048 ( 9847 PWs) bands (ev): -36.9794 -36.9794 -36.9792 -36.9792 -32.5053 -32.5053 -13.9822 -13.9728 -13.6605 -13.6457 -13.5032 -13.4855 -11.9630 -11.9627 -11.0399 -11.0381 -10.8622 -10.8592 -10.6530 -10.6482 0.1977 0.1982 1.4446 1.4460 2.1662 2.1672 2.7123 2.7144 2.9224 2.9312 3.0719 3.0802 3.8844 3.8861 4.0290 4.0310 4.3891 4.3896 4.5834 4.5838 4.7592 4.7597 5.2860 5.2873 11.8222 11.8236 12.6670 12.6728 12.7804 12.7826 12.9600 12.9647 k = 0.0518 0.5200 0.3114 ( 9851 PWs) bands (ev): -36.9794 -36.9794 -36.9792 -36.9792 -32.5054 -32.5054 -13.9819 -13.9744 -13.6589 -13.6470 -13.4993 -13.4850 -11.9616 -11.9613 -11.0434 -11.0419 -10.8626 -10.8602 -10.6516 -10.6476 0.2028 0.2032 1.4253 1.4264 2.1629 2.1637 2.7164 2.7181 2.9331 2.9405 3.0762 3.0834 3.8919 3.8933 4.0490 4.0509 4.3608 4.3615 4.5924 4.5928 4.7505 4.7511 5.2859 5.2869 11.8201 11.8213 12.6860 12.6913 12.7864 12.7886 12.9884 12.9929 k = 0.0388 0.5156 0.3180 ( 9847 PWs) bands (ev): -36.9794 -36.9794 -36.9792 -36.9792 -32.5054 -32.5054 -13.9815 -13.9758 -13.6573 -13.6483 -13.4958 -13.4851 -11.9605 -11.9603 -11.0462 -11.0450 -10.8629 -10.8611 -10.6503 -10.6473 0.2070 0.2073 1.4100 1.4109 2.1604 2.1610 2.7197 2.7210 2.9420 2.9479 3.0797 3.0854 3.8979 3.8991 4.0676 4.0692 4.3357 4.3364 4.5995 4.5998 4.7435 4.7441 5.2859 5.2867 11.8186 11.8195 12.7018 12.7061 12.7908 12.7928 13.0172 13.0216 k = 0.0259 0.5112 0.3246 ( 9847 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9809 -13.9771 -13.6557 -13.6497 -13.4928 -13.4856 -11.9597 -11.9596 -11.0481 -11.0473 -10.8630 -10.8618 -10.6492 -10.6472 0.2101 0.2104 1.3990 1.3996 2.1586 2.1590 2.7221 2.7230 2.9490 2.9530 3.0825 3.0864 3.9025 3.9032 4.0833 4.0846 4.3153 4.3160 4.6047 4.6050 4.7384 4.7389 5.2860 5.2865 11.8176 11.8182 12.7137 12.7168 12.7940 12.7955 13.0452 13.0491 k = 0.0129 0.5067 0.3312 ( 9849 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9802 -13.9783 -13.6542 -13.6511 -13.4903 -13.4867 -11.9592 -11.9591 -11.0492 -11.0488 -10.8630 -10.8624 -10.6484 -10.6474 0.2121 0.2122 1.3924 1.3927 2.1576 2.1578 2.7236 2.7241 2.9537 2.9558 3.0845 3.0865 3.9053 3.9057 4.0944 4.0951 4.3016 4.3020 4.6079 4.6080 4.7353 4.7356 5.2861 5.2863 11.8171 11.8174 12.7214 12.7231 12.7959 12.7967 13.0687 13.0712 k = 0.0000 0.5023 0.3378 ( 9844 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9793 -13.9793 -13.6526 -13.6526 -13.4882 -13.4882 -11.9590 -11.9590 -11.0494 -11.0494 -10.8628 -10.8628 -10.6478 -10.6478 0.2128 0.2128 1.3903 1.3903 2.1573 2.1573 2.7243 2.7243 2.9560 2.9560 3.0859 3.0859 3.9064 3.9064 4.0987 4.0987 4.2969 4.2969 4.6090 4.6090 4.7344 4.7344 5.2862 5.2862 11.8170 11.8170 12.7246 12.7246 12.7968 12.7968 13.0796 13.0796 k = 0.0000 0.5023 0.3378 ( 9844 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9793 -13.9793 -13.6526 -13.6526 -13.4882 -13.4882 -11.9590 -11.9590 -11.0494 -11.0494 -10.8628 -10.8628 -10.6478 -10.6478 0.2128 0.2128 1.3903 1.3903 2.1573 2.1573 2.7243 2.7243 2.9560 2.9560 3.0859 3.0859 3.9064 3.9064 4.0987 4.0987 4.2969 4.2969 4.6090 4.6090 4.7344 4.7344 5.2862 5.2862 11.8170 11.8170 12.7246 12.7246 12.7968 12.7968 13.0796 13.0796 k = 0.0078 0.4952 0.3484 ( 9856 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9799 -13.9786 -13.6533 -13.6519 -13.4887 -13.4880 -11.9602 -11.9586 -11.0492 -11.0490 -10.8629 -10.8620 -10.6480 -10.6478 0.2128 0.2130 1.3903 1.3904 2.1565 2.1566 2.7163 2.7168 2.9634 2.9642 3.0867 3.0868 3.9052 3.9054 4.0990 4.0990 4.2976 4.2977 4.6085 4.6088 4.7355 4.7355 5.2858 5.2859 11.8181 11.8181 12.7247 12.7254 12.7963 12.7965 13.0789 13.0796 k = 0.0156 0.4881 0.3589 ( 9852 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9801 -13.9776 -13.6538 -13.6512 -13.4893 -13.4880 -11.9621 -11.9589 -11.0486 -11.0482 -10.8625 -10.8607 -10.6487 -10.6482 0.2129 0.2133 1.3905 1.3907 2.1540 2.1542 2.6953 2.6962 2.9841 2.9856 3.0891 3.0895 3.9018 3.9023 4.0997 4.0998 4.2999 4.3000 4.6072 4.6078 4.7387 4.7388 5.2847 5.2849 11.8215 11.8215 12.7257 12.7271 12.7951 12.7955 13.0776 13.0790 k = 0.0234 0.4810 0.3695 ( 9858 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9801 -13.9764 -13.6543 -13.6504 -13.4902 -13.4883 -11.9648 -11.9601 -11.0475 -11.0469 -10.8616 -10.8588 -10.6496 -10.6490 0.2131 0.2138 1.3909 1.3911 2.1500 2.1502 2.6663 2.6673 3.0134 3.0154 3.0934 3.0939 3.8965 3.8971 4.1010 4.1010 4.3037 4.3039 4.6052 4.6061 4.7441 4.7442 5.2829 5.2832 11.8271 11.8271 12.7276 12.7297 12.7932 12.7938 13.0756 13.0777 k = 0.0312 0.4739 0.3800 ( 9852 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9799 -13.9750 -13.6547 -13.6496 -13.4913 -13.4887 -11.9682 -11.9619 -11.0459 -11.0451 -10.8600 -10.8564 -10.6509 -10.6501 0.2135 0.2144 1.3914 1.3917 2.1443 2.1446 2.6326 2.6336 3.0475 3.0498 3.0994 3.1002 3.8892 3.8900 4.1025 4.1026 4.3089 4.3092 4.6026 4.6037 4.7514 4.7516 5.2804 5.2808 11.8348 11.8349 12.7304 12.7332 12.7908 12.7915 13.0730 13.0759 k = 0.0391 0.4668 0.3906 ( 9850 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9795 -13.9734 -13.6551 -13.6487 -13.4926 -13.4894 -11.9722 -11.9645 -11.0438 -11.0429 -10.8579 -10.8535 -10.6525 -10.6515 0.2141 0.2151 1.3921 1.3925 2.1372 2.1376 2.5964 2.5974 3.0837 3.0865 3.1076 3.1088 3.8804 3.8813 4.1043 4.1045 4.3156 4.3159 4.5992 4.6005 4.7606 4.7609 5.2772 5.2776 11.8448 11.8449 12.7339 12.7374 12.7879 12.7889 13.0700 13.0736 k = 0.0469 0.4597 0.4011 ( 9854 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9788 -13.9716 -13.6553 -13.6478 -13.4941 -13.4903 -11.9769 -11.9678 -11.0413 -11.0401 -10.8553 -10.8501 -10.6545 -10.6532 0.2147 0.2160 1.3931 1.3935 2.1287 2.1291 2.5588 2.5597 3.1126 3.1135 3.1280 3.1289 3.8701 3.8710 4.1062 4.1064 4.3235 4.3239 4.5951 4.5968 4.7714 4.7717 5.2733 5.2738 11.8569 11.8570 12.7380 12.7422 12.7850 12.7861 13.0666 13.0709 k = 0.0547 0.4526 0.4117 ( 9850 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9779 -13.9696 -13.6554 -13.6468 -13.4958 -13.4914 -11.9821 -11.9718 -11.0383 -11.0370 -10.8523 -10.8463 -10.6567 -10.6553 0.2156 0.2170 1.3942 1.3947 2.1189 2.1193 2.5204 2.5213 3.1255 3.1259 3.1654 3.1677 3.8586 3.8596 4.1081 4.1083 4.3327 4.3331 4.5905 4.5923 4.7836 4.7840 5.2687 5.2693 11.8711 11.8712 12.7427 12.7476 12.7820 12.7833 13.0630 13.0680 k = 0.0625 0.4455 0.4223 ( 9848 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9768 -13.9674 -13.6554 -13.6458 -13.4978 -13.4928 -11.9878 -11.9764 -11.0349 -11.0334 -10.8487 -10.8422 -10.6593 -10.6577 0.2165 0.2181 1.3956 1.3962 2.1078 2.1083 2.4818 2.4826 3.1380 3.1387 3.2055 3.2081 3.8461 3.8472 4.1097 4.1101 4.3429 4.3435 4.5853 4.5873 4.7971 4.7975 5.2635 5.2642 11.8873 11.8874 12.7478 12.7534 12.7794 12.7808 13.0593 13.0650 k = 0.0703 0.4384 0.4328 ( 9840 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9755 -13.9652 -13.6553 -13.6447 -13.4999 -13.4944 -11.9939 -11.9815 -11.0311 -11.0294 -10.8448 -10.8377 -10.6622 -10.6604 0.2177 0.2194 1.3973 1.3979 2.0957 2.0961 2.4432 2.4438 3.1519 3.1528 3.2462 3.2490 3.8328 3.8340 4.1112 4.1116 4.3540 4.3547 4.5796 4.5818 4.8116 4.8121 5.2576 5.2583 11.9055 11.9056 12.7532 12.7593 12.7774 12.7788 13.0558 13.0622 k = 0.0781 0.4313 0.4434 ( 9844 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9740 -13.9628 -13.6550 -13.6435 -13.5022 -13.4963 -12.0004 -11.9871 -11.0269 -11.0250 -10.8405 -10.8330 -10.6654 -10.6634 0.2189 0.2208 1.3994 1.4000 2.0826 2.0830 2.4047 2.4052 3.1672 3.1683 3.2871 3.2902 3.8190 3.8202 4.1122 4.1127 4.3658 4.3666 4.5735 4.5759 4.8270 4.8274 5.2510 5.2518 11.9256 11.9257 12.7586 12.7651 12.7762 12.7775 13.0525 13.0595 k = 0.0859 0.4242 0.4539 ( 9848 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9723 -13.9603 -13.6545 -13.6422 -13.5047 -13.4983 -12.0072 -11.9932 -11.0223 -11.0203 -10.8360 -10.8280 -10.6689 -10.6667 0.2203 0.2223 1.4017 1.4024 2.0686 2.0690 2.3665 2.3669 3.1839 3.1850 3.3281 3.3313 3.8049 3.8060 4.1127 4.1133 4.3781 4.3790 4.5672 4.5698 4.8429 4.8433 5.2438 5.2447 11.9475 11.9477 12.7638 12.7699 12.7769 12.7772 13.0497 13.0574 k = 0.0938 0.4171 0.4645 ( 9844 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9705 -13.9578 -13.6539 -13.6409 -13.5073 -13.5006 -12.0143 -11.9996 -11.0173 -11.0152 -10.8311 -10.8229 -10.6727 -10.6703 0.2218 0.2239 1.4045 1.4052 2.0539 2.0543 2.3287 2.3290 3.2019 3.2031 3.3691 3.3724 3.7905 3.7916 4.1126 4.1133 4.3905 4.3916 4.5610 4.5636 4.8592 4.8597 5.2360 5.2370 11.9711 11.9713 12.7686 12.7726 12.7781 12.7802 13.0476 13.0558 k = 0.1016 0.4100 0.4750 ( 9838 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9685 -13.9552 -13.6530 -13.6395 -13.5102 -13.5032 -12.0215 -12.0063 -11.0120 -11.0097 -10.8261 -10.8176 -10.6767 -10.6742 0.2234 0.2256 1.4076 1.4084 2.0387 2.0391 2.2915 2.2917 3.2211 3.2223 3.4098 3.4134 3.7761 3.7772 4.1119 4.1126 4.4024 4.4038 4.5551 4.5577 4.8757 4.8762 5.2277 5.2287 11.9963 11.9965 12.7727 12.7748 12.7804 12.7848 13.0464 13.0550 k = 0.1094 0.4029 0.4856 ( 9842 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9664 -13.9526 -13.6519 -13.6379 -13.5132 -13.5059 -12.0287 -12.0133 -11.0064 -11.0040 -10.8210 -10.8123 -10.6809 -10.6783 0.2252 0.2274 1.4112 1.4120 2.0230 2.0234 2.2549 2.2550 3.2414 3.2427 3.4504 3.4541 3.7617 3.7628 4.1104 4.1112 4.4134 4.4151 4.5501 4.5526 4.8923 4.8928 5.2189 5.2199 12.0229 12.0232 12.7765 12.7778 12.7838 12.7892 13.0461 13.0550 k = 0.1172 0.3958 0.4961 ( 9836 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9642 -13.9501 -13.6506 -13.6363 -13.5163 -13.5089 -12.0360 -12.0204 -11.0006 -10.9981 -10.8158 -10.8071 -10.6854 -10.6826 0.2270 0.2293 1.4153 1.4161 2.0072 2.0075 2.2190 2.2190 3.2627 3.2640 3.4906 3.4944 3.7476 3.7487 4.1080 4.1088 4.4223 4.4246 4.5468 4.5490 4.9088 4.9093 5.2095 5.2106 12.0508 12.0511 12.7804 12.7820 12.7878 12.7931 13.0469 13.0559 k = 0.1250 0.3887 0.5067 ( 9834 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9619 -13.9476 -13.6491 -13.6345 -13.5196 -13.5121 -12.0433 -12.0276 -10.9945 -10.9919 -10.8105 -10.8018 -10.6902 -10.6872 0.2289 0.2312 1.4198 1.4207 1.9912 1.9915 2.1838 2.1838 3.2849 3.2861 3.5304 3.5344 3.7338 3.7348 4.1048 4.1056 4.4283 4.4312 4.5462 4.5480 4.9250 4.9255 5.1998 5.2009 12.0799 12.0802 12.7840 12.7873 12.7929 12.7964 13.0488 13.0578 k = 0.1328 0.3816 0.5173 ( 9830 PWs) bands (ev): -36.9793 -36.9793 -36.9793 -36.9793 -32.5054 -32.5054 -13.9596 -13.9452 -13.6472 -13.6326 -13.5231 -13.5156 -12.0504 -12.0349 -10.9882 -10.9855 -10.8053 -10.7966 -10.6950 -10.6920 0.2309 0.2332 1.4248 1.4257 1.9753 1.9756 2.1495 2.1496 3.3078 3.3090 3.5698 3.5738 3.7205 3.7215 4.1006 4.1015 4.4304 4.4339 4.5489 4.5502 4.9409 4.9413 5.1897 5.1908 12.1099 12.1102 12.7869 12.7931 12.7995 12.7999 13.0516 13.0605 k = 0.1406 0.3745 0.5278 ( 9826 PWs) bands (ev): -36.9793 -36.9793 -36.9792 -36.9792 -32.5054 -32.5054 -13.9572 -13.9429 -13.6451 -13.6306 -13.5266 -13.5192 -12.0573 -12.0421 -10.9818 -10.9790 -10.8001 -10.7916 -10.7001 -10.6969 0.2330 0.2352 1.4303 1.4313 1.9596 1.9599 2.1161 2.1163 3.3313 3.3325 3.6085 3.6127 3.7077 3.7087 4.0955 4.0963 4.4283 4.4324 4.5552 4.5560 4.9562 4.9566 5.1793 5.1805 12.1405 12.1409 12.7887 12.7968 12.8063 12.8079 13.0553 13.0638 k = 0.1484 0.3674 0.5384 ( 9822 PWs) bands (ev): -36.9793 -36.9793 -36.9792 -36.9792 -32.5054 -32.5054 -13.9548 -13.9407 -13.6428 -13.6285 -13.5303 -13.5230 -12.0640 -12.0491 -10.9752 -10.9724 -10.7950 -10.7868 -10.7053 -10.7020 0.2350 0.2372 1.4363 1.4373 1.9443 1.9445 2.0839 2.0841 3.3551 3.3563 3.6465 3.6509 3.6956 3.6967 4.0894 4.0903 4.4224 4.4270 4.5644 4.5650 4.9709 4.9713 5.1688 5.1699 12.1717 12.1721 12.7899 12.7981 12.8159 12.8181 13.0595 13.0677 k = 0.1562 0.3603 0.5489 ( 9826 PWs) bands (ev): -36.9793 -36.9793 -36.9792 -36.9792 -32.5054 -32.5054 -13.9524 -13.9386 -13.6401 -13.6262 -13.5341 -13.5271 -12.0704 -12.0560 -10.9686 -10.9657 -10.7902 -10.7822 -10.7105 -10.7071 0.2371 0.2392 1.4428 1.4438 1.9294 1.9296 2.0527 2.0530 3.3792 3.3802 3.6801 3.6819 3.6890 3.6906 4.0825 4.0833 4.4136 4.4184 4.5757 4.5761 4.9849 4.9853 5.1581 5.1593 12.2030 12.2034 12.7904 12.7984 12.8275 12.8299 13.0641 13.0717 k = 0.1641 0.3532 0.5595 ( 9824 PWs) bands (ev): -36.9793 -36.9793 -36.9792 -36.9792 -32.5054 -32.5054 -13.9501 -13.9368 -13.6372 -13.6237 -13.5380 -13.5313 -12.0763 -12.0627 -10.9619 -10.9591 -10.7855 -10.7779 -10.7158 -10.7123 0.2391 0.2411 1.4498 1.4507 1.9152 1.9154 2.0228 2.0232 3.4032 3.4042 3.6729 3.6737 3.7214 3.7256 4.0746 4.0754 4.4025 4.4075 4.5882 4.5885 4.9981 4.9984 5.1475 5.1486 12.2341 12.2346 12.7907 12.7982 12.8408 12.8433 13.0687 13.0758 k = 0.1719 0.3461 0.5700 ( 9814 PWs) bands (ev): -36.9793 -36.9793 -36.9792 -36.9792 -32.5054 -32.5054 -13.9477 -13.9351 -13.6340 -13.6211 -13.5420 -13.5356 -12.0819 -12.0691 -10.9553 -10.9525 -10.7811 -10.7739 -10.7210 -10.7176 0.2411 0.2430 1.4571 1.4580 1.9017 1.9019 1.9943 1.9947 3.4270 3.4278 3.6632 3.6640 3.7569 3.7612 4.0661 4.0667 4.3898 4.3949 4.6013 4.6015 5.0103 5.0107 5.1370 5.1381 12.2647 12.2652 12.7908 12.7977 12.8556 12.8581 13.0730 13.0795 k = 0.1797 0.3390 0.5806 ( 9814 PWs) bands (ev): -36.9792 -36.9792 -36.9792 -36.9792 -32.5054 -32.5054 -13.9455 -13.9337 -13.6306 -13.6184 -13.5460 -13.5402 -12.0870 -12.0751 -10.9489 -10.9461 -10.7771 -10.7702 -10.7262 -10.7227 0.2430 0.2448 1.4647 1.4656 1.8892 1.8893 1.9673 1.9678 3.4502 3.4509 3.6543 3.6553 3.7913 3.7957 4.0568 4.0575 4.3758 4.3810 4.6144 4.6145 5.0216 5.0219 5.1268 5.1278 12.2944 12.2949 12.7910 12.7973 12.8717 12.8742 13.0769 13.0828 k = 0.1875 0.3319 0.5912 ( 9814 PWs) bands (ev): -36.9792 -36.9792 -36.9792 -36.9792 -32.5054 -32.5054 -13.9433 -13.9324 -13.6269 -13.6156 -13.5500 -13.5448 -12.0916 -12.0808 -10.9426 -10.9400 -10.7733 -10.7670 -10.7312 -10.7277 0.2448 0.2465 1.4726 1.4735 1.8776 1.8777 1.9420 1.9425 3.4725 3.4731 3.6465 3.6475 3.8245 3.8289 4.0471 4.0477 4.3610 4.3661 4.6271 4.6272 5.0318 5.0321 5.1170 5.1180 12.3227 12.3233 12.7913 12.7970 12.8891 12.8916 13.0801 13.0853 k = 0.1953 0.3248 0.6017 ( 9814 PWs) bands (ev): -36.9792 -36.9792 -36.9792 -36.9792 -32.5054 -32.5054 -13.9413 -13.9314 -13.6230 -13.6126 -13.5541 -13.5495 -12.0957 -12.0859 -10.9366 -10.9342 -10.7700 -10.7642 -10.7359 -10.7324 0.2465 0.2480 1.4805 1.4813 1.8671 1.8672 1.9186 1.9190 3.4935 3.4939 3.6399 3.6409 3.8561 3.8605 4.0372 4.0377 4.3456 4.3506 4.6391 4.6393 5.0410 5.0413 5.1078 5.1087 12.3493 12.3498 12.7920 12.7971 12.9075 12.9100 13.0825 13.0871 k = 0.2031 0.3177 0.6123 ( 9810 PWs) bands (ev): -36.9792 -36.9792 -36.9792 -36.9792 -32.5054 -32.5054 -13.9393 -13.9307 -13.6189 -13.6095 -13.5581 -13.5543 -12.0991 -12.0906 -10.9310 -10.9288 -10.7672 -10.7618 -10.7401 -10.7368 0.2480 0.2493 1.4883 1.4891 1.8579 1.8579 1.8972 1.8977 3.5127 3.5129 3.6346 3.6356 3.8859 3.8901 4.0273 4.0278 4.3301 4.3348 4.6502 4.6504 5.0489 5.0492 5.0994 5.1002 12.3735 12.3739 12.7930 12.7975 12.9269 12.9292 13.0840 13.0880 k = 0.2109 0.3106 0.6228 ( 9816 PWs) bands (ev): -36.9792 -36.9792 -36.9792 -36.9792 -32.5054 -32.5054 -13.9375 -13.9301 -13.6146 -13.6064 -13.5621 -13.5591 -12.1020 -12.0948 -10.9259 -10.9239 -10.7648 -10.7602 -10.7438 -10.7407 0.2494 0.2505 1.4958 1.4965 1.8499 1.8499 1.8783 1.8787 3.5295 3.5296 3.6307 3.6317 3.9133 3.9174 4.0179 4.0183 4.3148 4.3192 4.6601 4.6602 5.0556 5.0559 5.0920 5.0926 12.3949 12.3953 12.7944 12.7982 12.9468 12.9491 13.0848 13.0882 k = 0.2188 0.3035 0.6334 ( 9804 PWs) bands (ev): -36.9792 -36.9792 -36.9792 -36.9792 -32.5054 -32.5054 -13.9359 -13.9299 -13.6103 -13.6034 -13.5660 -13.5638 -12.1042 -12.0984 -10.9215 -10.9198 -10.7631 -10.7592 -10.7465 -10.7439 0.2506 0.2515 1.5026 1.5032 1.8432 1.8433 1.8621 1.8624 3.5434 3.5435 3.6283 3.6293 3.9378 3.9415 4.0093 4.0097 4.3004 4.3043 4.6686 4.6687 5.0610 5.0612 5.0858 5.0863 12.4131 12.4135 12.7961 12.7991 12.9672 12.9694 13.0849 13.0876 k = 0.2266 0.2964 0.6439 ( 9796 PWs) bands (ev): -36.9792 -36.9792 -36.9792 -36.9792 -32.5054 -32.5054 -13.9344 -13.9298 -13.6061 -13.6004 -13.5696 -13.5683 -12.1058 -12.1014 -10.9177 -10.9164 -10.7620 -10.7592 -10.7482 -10.7463 0.2515 0.2522 1.5084 1.5089 1.8380 1.8380 1.8489 1.8492 3.5539 3.5541 3.6275 3.6284 3.9585 3.9617 4.0021 4.0025 4.2876 4.2909 4.6754 4.6755 5.0647 5.0650 5.0812 5.0815 12.4277 12.4280 12.7978 12.8002 12.9875 12.9896 13.0847 13.0868 k = 0.2344 0.2893 0.6545 ( 9792 PWs) bands (ev): -36.9792 -36.9792 -36.9792 -36.9792 -32.5054 -32.5054 -13.9331 -13.9300 -13.6020 -13.5979 -13.5729 -13.5723 -12.1067 -12.1038 -10.9149 -10.9140 -10.7614 -10.7597 -10.7489 -10.7478 0.2523 0.2527 1.5130 1.5133 1.8342 1.8343 1.8392 1.8394 3.5611 3.5613 3.6279 3.6285 3.9741 3.9765 3.9972 3.9976 4.2775 4.2799 4.6804 4.6805 5.0667 5.0670 5.0785 5.0787 12.4383 12.4385 12.7994 12.8010 13.0071 13.0089 13.0842 13.0857 k = 0.2422 0.2822 0.6650 ( 9784 PWs) bands (ev): -36.9792 -36.9792 -36.9792 -36.9792 -32.5054 -32.5054 -13.9320 -13.9305 -13.5986 -13.5963 -13.5753 -13.5752 -12.1070 -12.1055 -10.9131 -10.9126 -10.7611 -10.7604 -10.7491 -10.7486 0.2528 0.2530 1.5159 1.5160 1.8319 1.8320 1.8333 1.8333 3.5651 3.5652 3.6287 3.6290 3.9827 3.9839 3.9959 3.9960 4.2711 4.2724 4.6835 4.6835 5.0672 5.0674 5.0776 5.0776 12.4448 12.4449 12.8007 12.8015 13.0240 13.0253 13.0837 13.0847 k = 0.2500 0.2751 0.6756 ( 9784 PWs) bands (ev): -36.9792 -36.9792 -36.9792 -36.9792 -32.5054 -32.5054 -13.9311 -13.9311 -13.5965 -13.5965 -13.5763 -13.5763 -12.1066 -12.1066 -10.9123 -10.9123 -10.7609 -10.7609 -10.7490 -10.7490 0.2530 0.2530 1.5169 1.5169 1.8310 1.8310 1.8314 1.8314 3.5665 3.5665 3.6292 3.6292 3.9849 3.9849 3.9966 3.9966 4.2693 4.2693 4.6845 4.6845 5.0673 5.0673 5.0775 5.0775 12.4471 12.4471 12.8014 12.8014 13.0324 13.0325 13.0828 13.0832 k = 0.2500 0.2751 0.6756 ( 9784 PWs) bands (ev): -36.9792 -36.9792 -36.9792 -36.9792 -32.5054 -32.5054 -13.9311 -13.9311 -13.5965 -13.5965 -13.5763 -13.5763 -12.1066 -12.1066 -10.9123 -10.9123 -10.7609 -10.7609 -10.7490 -10.7490 0.2530 0.2530 1.5169 1.5169 1.8310 1.8310 1.8314 1.8314 3.5665 3.5665 3.6292 3.6292 3.9849 3.9849 3.9966 3.9966 4.2693 4.2693 4.6845 4.6845 5.0673 5.0673 5.0775 5.0775 12.4471 12.4471 12.8014 12.8014 13.0324 13.0325 13.0828 13.0843 k = 0.2568 0.2825 0.6645 ( 9788 PWs) bands (ev): -36.9793 -36.9793 -36.9791 -36.9791 -32.5054 -32.5054 -13.9317 -13.9306 -13.5978 -13.5964 -13.5757 -13.5755 -12.1072 -12.1061 -10.9125 -10.9122 -10.7612 -10.7605 -10.7490 -10.7487 0.2525 0.2527 1.5169 1.5170 1.8017 1.8019 1.8627 1.8628 3.5656 3.5657 3.6287 3.6290 3.9765 3.9766 4.0029 4.0036 4.2698 4.2708 4.6840 4.6840 5.0609 5.0610 5.0841 5.0841 12.4458 12.4458 12.7997 12.8002 13.0303 13.0309 13.0700 13.0702 k = 0.2635 0.2900 0.6535 ( 9794 PWs) bands (ev): -36.9794 -36.9794 -36.9791 -36.9791 -32.5054 -32.5054 -13.9323 -13.9303 -13.5998 -13.5976 -13.5742 -13.5732 -12.1081 -12.1058 -10.9130 -10.9122 -10.7616 -10.7601 -10.7487 -10.7483 0.2512 0.2516 1.5166 1.5169 1.7762 1.7765 1.8947 1.8948 3.5632 3.5634 3.6278 3.6282 3.9648 3.9648 4.0090 4.0105 4.2723 4.2743 4.6825 4.6826 5.0527 5.0529 5.0932 5.0932 12.4421 12.4423 12.7950 12.7959 13.0282 13.0287 13.0566 13.0567 k = 0.2703 0.2974 0.6424 ( 9790 PWs) bands (ev): -36.9794 -36.9794 -36.9790 -36.9790 -32.5054 -32.5054 -13.9329 -13.9302 -13.6022 -13.5997 -13.5719 -13.5700 -12.1090 -12.1057 -10.9136 -10.9125 -10.7620 -10.7594 -10.7482 -10.7478 0.2491 0.2496 1.5157 1.5162 1.7551 1.7555 1.9270 1.9271 3.5590 3.5593 3.6261 3.6268 3.9531 3.9532 4.0119 4.0143 4.2765 4.2794 4.6800 4.6801 5.0458 5.0462 5.1017 5.1018 12.4363 12.4366 12.7872 12.7885 13.0280 13.0282 13.0441 13.0443 k = 0.2770 0.3049 0.6314 ( 9793 PWs) bands (ev): -36.9795 -36.9795 -36.9789 -36.9789 -32.5054 -32.5054 -13.9334 -13.9303 -13.6048 -13.6022 -13.5692 -13.5665 -12.1101 -12.1056 -10.9144 -10.9128 -10.7622 -10.7586 -10.7476 -10.7472 0.2461 0.2469 1.5141 1.5148 1.7389 1.7394 1.9596 1.9598 3.5530 3.5533 3.6238 3.6245 3.9418 3.9420 4.0118 4.0150 4.2818 4.2855 4.6766 4.6769 5.0405 5.0411 5.1095 5.1096 12.4288 12.4292 12.7767 12.7781 13.0288 13.0292 13.0333 13.0334 k = 0.2838 0.3123 0.6203 ( 9799 PWs) bands (ev): -36.9796 -36.9796 -36.9789 -36.9789 -32.5054 -32.5054 -13.9340 -13.9305 -13.6075 -13.6049 -13.5663 -13.5627 -12.1112 -12.1055 -10.9152 -10.9134 -10.7624 -10.7577 -10.7469 -10.7465 0.2423 0.2432 1.5115 1.5123 1.7276 1.7283 1.9925 1.9927 3.5449 3.5454 3.6206 3.6214 3.9308 3.9313 4.0094 4.0131 4.2877 4.2920 4.6726 4.6731 5.0371 5.0378 5.1165 5.1165 12.4198 12.4203 12.7637 12.7651 13.0207 13.0213 13.0334 13.0338 k = 0.2905 0.3197 0.6093 ( 9807 PWs) bands (ev): -36.9796 -36.9796 -36.9788 -36.9788 -32.5054 -32.5054 -13.9346 -13.9310 -13.6102 -13.6076 -13.5632 -13.5590 -12.1122 -12.1054 -10.9162 -10.9141 -10.7624 -10.7566 -10.7462 -10.7459 0.2377 0.2388 1.5081 1.5091 1.7213 1.7220 2.0256 2.0258 3.5349 3.5354 3.6164 3.6174 3.9202 3.9208 4.0052 4.0094 4.2936 4.2983 4.6682 4.6689 5.0354 5.0363 5.1226 5.1226 12.4098 12.4104 12.7488 12.7501 13.0104 13.0111 13.0367 13.0377 k = 0.2973 0.3272 0.5982 ( 9813 PWs) bands (ev): -36.9797 -36.9797 -36.9788 -36.9788 -32.5054 -32.5054 -13.9351 -13.9315 -13.6127 -13.6103 -13.5601 -13.5555 -12.1131 -12.1053 -10.9172 -10.9149 -10.7624 -10.7553 -10.7454 -10.7453 0.2323 0.2336 1.5042 1.5053 1.7195 1.7203 2.0587 2.0591 3.5228 3.5233 3.6112 3.6122 3.9099 3.9106 3.9998 4.0043 4.2990 4.3040 4.6638 4.6646 5.0353 5.0365 5.1279 5.1279 12.3991 12.3997 12.7322 12.7333 13.0006 13.0013 13.0398 13.0413 k = 0.3041 0.3346 0.5872 ( 9821 PWs) bands (ev): -36.9797 -36.9797 -36.9787 -36.9787 -32.5054 -32.5054 -13.9357 -13.9322 -13.6152 -13.6130 -13.5571 -13.5521 -12.1139 -12.1051 -10.9183 -10.9158 -10.7622 -10.7540 -10.7447 -10.7446 0.2263 0.2277 1.5003 1.5016 1.7218 1.7226 2.0919 2.0923 3.5087 3.5093 3.6048 3.6059 3.8995 3.9005 3.9936 3.9984 4.3035 4.3087 4.6597 4.6607 5.0368 5.0381 5.1323 5.1323 12.3880 12.3887 12.7143 12.7153 12.9909 12.9918 13.0415 13.0435 k = 0.3108 0.3420 0.5761 ( 9819 PWs) bands (ev): -36.9798 -36.9798 -36.9787 -36.9787 -32.5054 -32.5054 -13.9362 -13.9331 -13.6176 -13.6155 -13.5542 -13.5491 -12.1146 -12.1047 -10.9194 -10.9167 -10.7619 -10.7527 -10.7441 -10.7439 0.2196 0.2211 1.4970 1.4984 1.7275 1.7282 2.1250 2.1255 3.4927 3.4933 3.5971 3.5983 3.8891 3.8902 3.9870 3.9919 4.3069 4.3121 4.6562 4.6575 5.0396 5.0412 5.1359 5.1360 12.3768 12.3775 12.6954 12.6961 12.9814 12.9824 13.0410 13.0436 k = 0.3176 0.3495 0.5650 ( 9817 PWs) bands (ev): -36.9798 -36.9798 -36.9786 -36.9786 -32.5054 -32.5054 -13.9366 -13.9341 -13.6198 -13.6179 -13.5515 -13.5465 -12.1150 -12.1041 -10.9204 -10.9177 -10.7616 -10.7513 -10.7435 -10.7432 0.2123 0.2140 1.4949 1.4963 1.7358 1.7365 2.1581 2.1586 3.4748 3.4754 3.5881 3.5893 3.8784 3.8797 3.9802 3.9851 4.3090 4.3140 4.6538 4.6553 5.0436 5.0454 5.1387 5.1388 12.3657 12.3665 12.6755 12.6760 12.9719 12.9729 13.0377 13.0408 k = 0.3243 0.3569 0.5540 ( 9816 PWs) bands (ev): -36.9799 -36.9799 -36.9786 -36.9786 -32.5054 -32.5054 -13.9371 -13.9352 -13.6219 -13.6203 -13.5490 -13.5442 -12.1151 -12.1034 -10.9214 -10.9188 -10.7613 -10.7500 -10.7430 -10.7424 0.2046 0.2064 1.4942 1.4958 1.7464 1.7471 2.1909 2.1916 3.4553 3.4559 3.5777 3.5790 3.8673 3.8687 3.9735 3.9783 4.3097 4.3145 4.6526 4.6544 5.0487 5.0507 5.1407 5.1409 12.3551 12.3560 12.6548 12.6550 12.9623 12.9633 13.0312 13.0347 k = 0.3311 0.3643 0.5429 ( 9812 PWs) bands (ev): -36.9799 -36.9799 -36.9786 -36.9786 -32.5054 -32.5054 -13.9375 -13.9363 -13.6238 -13.6224 -13.5468 -13.5424 -12.1149 -12.1023 -10.9223 -10.9198 -10.7609 -10.7487 -10.7424 -10.7417 0.1965 0.1984 1.4954 1.4971 1.7588 1.7593 2.2235 2.2243 3.4342 3.4348 3.5658 3.5671 3.8555 3.8571 3.9670 3.9717 4.3088 4.3133 4.6529 4.6551 5.0546 5.0568 5.1421 5.1423 12.3452 12.3460 12.6333 12.6334 12.9524 12.9535 13.0212 13.0251 k = 0.3378 0.3718 0.5319 ( 9820 PWs) bands (ev): -36.9799 -36.9799 -36.9786 -36.9786 -32.5054 -32.5054 -13.9379 -13.9376 -13.6255 -13.6244 -13.5450 -13.5411 -12.1144 -12.1011 -10.9231 -10.9208 -10.7606 -10.7475 -10.7420 -10.7410 0.1883 0.1903 1.4987 1.5005 1.7725 1.7730 2.2558 2.2566 3.4117 3.4122 3.5524 3.5538 3.8429 3.8447 3.9608 3.9652 4.3065 4.3106 4.6550 4.6575 5.0612 5.0637 5.1427 5.1430 12.3360 12.3369 12.6109 12.6113 12.9421 12.9432 13.0079 13.0120 k = 0.3446 0.3792 0.5208 ( 9817 PWs) bands (ev): -36.9799 -36.9799 -36.9785 -36.9785 -32.5053 -32.5053 -13.9389 -13.9382 -13.6271 -13.6263 -13.5435 -13.5403 -12.1136 -12.0995 -10.9238 -10.9216 -10.7603 -10.7464 -10.7415 -10.7403 0.1799 0.1820 1.5041 1.5061 1.7872 1.7877 2.2877 2.2886 3.3880 3.3884 3.5376 3.5390 3.8295 3.8314 3.9548 3.9588 4.3028 4.3064 4.6590 4.6618 5.0684 5.0712 5.1428 5.1431 12.3278 12.3287 12.5877 12.5883 12.9314 12.9325 12.9913 12.9955 k = 0.3514 0.3866 0.5098 ( 9829 PWs) bands (ev): -36.9800 -36.9800 -36.9785 -36.9785 -32.5053 -32.5053 -13.9403 -13.9385 -13.6285 -13.6280 -13.5424 -13.5401 -12.1124 -12.0977 -10.9244 -10.9224 -10.7601 -10.7454 -10.7411 -10.7397 0.1715 0.1736 1.5117 1.5139 1.8029 1.8033 2.3190 2.3201 3.3633 3.3636 3.5214 3.5228 3.8151 3.8171 3.9490 3.9527 4.2976 4.3007 4.6650 4.6681 5.0761 5.0792 5.1422 5.1426 12.3207 12.3216 12.5637 12.5647 12.9201 12.9213 12.9716 12.9760 k = 0.3581 0.3941 0.4987 ( 9827 PWs) bands (ev): -36.9800 -36.9800 -36.9785 -36.9785 -32.5053 -32.5053 -13.9417 -13.9388 -13.6297 -13.6295 -13.5417 -13.5403 -12.1108 -12.0955 -10.9248 -10.9231 -10.7599 -10.7446 -10.7406 -10.7391 0.1633 0.1654 1.5216 1.5240 1.8191 1.8195 2.3498 2.3510 3.3377 3.3379 3.5038 3.5052 3.7997 3.8019 3.9434 3.9465 4.2912 4.2937 4.6730 4.6765 5.0841 5.0875 5.1412 5.1416 12.3147 12.3156 12.5390 12.5402 12.9083 12.9094 12.9493 12.9537 k = 0.3649 0.4015 0.4877 ( 9831 PWs) bands (ev): -36.9800 -36.9800 -36.9785 -36.9785 -32.5053 -32.5053 -13.9432 -13.9390 -13.6309 -13.6307 -13.5415 -13.5412 -12.1089 -12.0931 -10.9250 -10.9236 -10.7599 -10.7439 -10.7402 -10.7386 0.1552 0.1574 1.5338 1.5363 1.8358 1.8361 2.3800 2.3813 3.3114 3.3115 3.4850 3.4864 3.7834 3.7856 3.9377 3.9404 4.2836 4.2854 4.6830 4.6868 5.0924 5.0962 5.1397 5.1401 12.3100 12.3109 12.5134 12.5149 12.8958 12.8970 12.9247 12.9290 k = 0.3716 0.4090 0.4766 ( 9837 PWs) bands (ev): -36.9800 -36.9800 -36.9785 -36.9785 -32.5053 -32.5053 -13.9447 -13.9392 -13.6320 -13.6316 -13.5425 -13.5416 -12.1067 -12.0905 -10.9251 -10.9239 -10.7599 -10.7434 -10.7399 -10.7381 0.1475 0.1497 1.5482 1.5509 1.8528 1.8531 2.4094 2.4108 3.2846 3.2847 3.4650 3.4664 3.7660 3.7683 3.9320 3.9341 4.2749 4.2760 4.6949 4.6991 5.1008 5.1050 5.1380 5.1384 12.3065 12.3074 12.4870 12.4888 12.8826 12.8838 12.8984 12.9024 k = 0.3784 0.4164 0.4655 ( 9828 PWs) bands (ev): -36.9800 -36.9800 -36.9785 -36.9785 -32.5053 -32.5053 -13.9462 -13.9394 -13.6330 -13.6323 -13.5444 -13.5422 -12.1041 -12.0876 -10.9249 -10.9240 -10.7600 -10.7430 -10.7395 -10.7376 0.1402 0.1423 1.5647 1.5676 1.8700 1.8703 2.4379 2.4395 3.2574 3.2576 3.4440 3.4453 3.7476 3.7500 3.9261 3.9276 4.2652 4.2655 4.7087 4.7132 5.1092 5.1139 5.1362 5.1364 12.3044 12.3052 12.4597 12.4617 12.8672 12.8696 12.8721 12.8747 k = 0.3851 0.4238 0.4545 ( 9836 PWs) bands (ev): -36.9800 -36.9800 -36.9785 -36.9785 -32.5052 -32.5052 -13.9477 -13.9396 -13.6339 -13.6329 -13.5468 -13.5432 -12.1012 -12.0845 -10.9246 -10.9239 -10.7602 -10.7428 -10.7392 -10.7372 0.1333 0.1355 1.5832 1.5864 1.8873 1.8876 2.4655 2.4673 3.2301 3.2305 3.4220 3.4233 3.7284 3.7308 3.9198 3.9206 4.2541 4.2546 4.7242 4.7291 5.1171 5.1224 5.1348 5.1348 12.3035 12.3043 12.4315 12.4338 12.8404 12.8444 12.8554 12.8563 k = 0.3919 0.4313 0.4434 ( 9838 PWs) bands (ev): -36.9800 -36.9800 -36.9785 -36.9785 -32.5052 -32.5052 -13.9492 -13.9397 -13.6345 -13.6333 -13.5496 -13.5446 -12.0980 -12.0813 -10.9240 -10.9235 -10.7606 -10.7426 -10.7389 -10.7368 0.1270 0.1291 1.6038 1.6072 1.9047 1.9049 2.4920 2.4940 3.2029 3.2036 3.3992 3.4004 3.7083 3.7107 3.9130 3.9132 4.2418 4.2431 4.7412 4.7465 5.1227 5.1274 5.1356 5.1367 12.3038 12.3047 12.4024 12.4050 12.8108 12.8145 12.8404 12.8412 k = 0.3986 0.4387 0.4324 ( 9838 PWs) bands (ev): -36.9800 -36.9800 -36.9785 -36.9785 -32.5052 -32.5052 -13.9508 -13.9398 -13.6350 -13.6336 -13.5529 -13.5463 -12.0947 -12.0779 -10.9233 -10.9229 -10.7610 -10.7426 -10.7387 -10.7365 0.1213 0.1234 1.6263 1.6299 1.9220 1.9223 2.5173 2.5195 3.1760 3.1770 3.3757 3.3768 3.6874 3.6899 3.9052 3.9057 4.2286 4.2309 4.7596 4.7653 5.1236 5.1266 5.1412 5.1444 12.3054 12.3062 12.3725 12.3753 12.7806 12.7840 12.8249 12.8257 k = 0.4054 0.4461 0.4213 ( 9844 PWs) bands (ev): -36.9800 -36.9800 -36.9785 -36.9785 -32.5052 -32.5052 -13.9523 -13.9399 -13.6353 -13.6337 -13.5565 -13.5484 -12.0911 -12.0744 -10.9223 -10.9220 -10.7615 -10.7427 -10.7386 -10.7362 0.1162 0.1182 1.6506 1.6544 1.9392 1.9395 2.5412 2.5436 3.1497 3.1510 3.3516 3.3526 3.6659 3.6684 3.8966 3.8977 4.2147 4.2178 4.7792 4.7854 5.1221 5.1244 5.1494 5.1537 12.3081 12.3089 12.3418 12.3449 12.7504 12.7535 12.8090 12.8098 k = 0.4122 0.4536 0.4103 ( 9851 PWs) bands (ev): -36.9800 -36.9800 -36.9785 -36.9785 -32.5051 -32.5051 -13.9538 -13.9401 -13.6355 -13.6337 -13.5605 -13.5507 -12.0875 -12.0709 -10.9211 -10.9208 -10.7621 -10.7428 -10.7386 -10.7360 0.1117 0.1137 1.6766 1.6807 1.9563 1.9566 2.5635 2.5663 3.1243 3.1259 3.3269 3.3278 3.6439 3.6463 3.8872 3.8890 4.2001 4.2040 4.7998 4.8064 5.1200 5.1220 5.1584 5.1634 12.3089 12.3100 12.3143 12.3158 12.7204 12.7232 12.7927 12.7934 k = 0.4189 0.4610 0.3992 ( 9837 PWs) bands (ev): -36.9799 -36.9799 -36.9785 -36.9785 -32.5051 -32.5051 -13.9553 -13.9402 -13.6355 -13.6336 -13.5648 -13.5533 -12.0837 -12.0673 -10.9197 -10.9194 -10.7627 -10.7430 -10.7386 -10.7359 0.1079 0.1098 1.7042 1.7085 1.9733 1.9737 2.5840 2.5871 3.1000 3.1019 3.3019 3.3027 3.6214 3.6237 3.8771 3.8796 4.1847 4.1893 4.8212 4.8282 5.1178 5.1198 5.1677 5.1733 12.2781 12.2815 12.3174 12.3180 12.6908 12.6933 12.7760 12.7766 k = 0.4257 0.4684 0.3881 ( 9841 PWs) bands (ev): -36.9799 -36.9799 -36.9786 -36.9786 -32.5051 -32.5051 -13.9569 -13.9404 -13.6354 -13.6334 -13.5692 -13.5561 -12.0800 -12.0639 -10.9181 -10.9176 -10.7635 -10.7432 -10.7387 -10.7357 0.1047 0.1065 1.7332 1.7378 1.9902 1.9907 2.6025 2.6059 3.0771 3.0795 3.2766 3.2773 3.5985 3.6008 3.8663 3.8693 4.1685 4.1739 4.8431 4.8506 5.1159 5.1178 5.1773 5.1835 12.2457 12.2494 12.3232 12.3237 12.6619 12.6641 12.7591 12.7596 k = 0.4324 0.4759 0.3771 ( 9841 PWs) bands (ev): -36.9799 -36.9799 -36.9786 -36.9786 -32.5051 -32.5051 -13.9583 -13.9406 -13.6351 -13.6331 -13.5739 -13.5590 -12.0762 -12.0605 -10.9163 -10.9156 -10.7642 -10.7434 -10.7388 -10.7357 0.1021 0.1039 1.7636 1.7685 2.0070 2.0076 2.6185 2.6223 3.0560 3.0588 3.2511 3.2517 3.5755 3.5777 3.8547 3.8583 4.1514 4.1575 4.8654 4.8733 5.1142 5.1161 5.1872 5.1938 12.2130 12.2168 12.3299 12.3304 12.6339 12.6358 12.7420 12.7425 k = 0.4392 0.4833 0.3660 ( 9849 PWs) bands (ev): -36.9798 -36.9798 -36.9786 -36.9786 -32.5050 -32.5050 -13.9598 -13.9408 -13.6348 -13.6328 -13.5786 -13.5620 -12.0725 -12.0573 -10.9143 -10.9133 -10.7650 -10.7437 -10.7390 -10.7357 0.1002 0.1019 1.7952 1.8003 2.0238 2.0246 2.6319 2.6361 3.0370 3.0403 3.2255 3.2260 3.5524 3.5546 3.8423 3.8465 4.1336 4.1403 4.8876 4.8961 5.1130 5.1148 5.1973 5.2045 12.1802 12.1842 12.3374 12.3377 12.6068 12.6084 12.7249 12.7252 k = 0.4459 0.4907 0.3550 ( 9843 PWs) bands (ev): -36.9798 -36.9798 -36.9786 -36.9786 -32.5050 -32.5050 -13.9613 -13.9411 -13.6343 -13.6325 -13.5833 -13.5651 -12.0690 -12.0543 -10.9122 -10.9107 -10.7658 -10.7439 -10.7393 -10.7357 0.0988 0.1004 1.8278 1.8332 2.0407 2.0417 2.6422 2.6468 3.0205 3.0242 3.2000 3.2003 3.5295 3.5316 3.8293 3.8340 4.1148 4.1222 4.9098 4.9187 5.1122 5.1140 5.2077 5.2154 12.1475 12.1515 12.3454 12.3457 12.5808 12.5822 12.7078 12.7081 k = 0.4527 0.4982 0.3439 ( 9845 PWs) bands (ev): -36.9798 -36.9798 -36.9787 -36.9787 -32.5050 -32.5050 -13.9627 -13.9415 -13.6339 -13.6321 -13.5880 -13.5681 -12.0656 -12.0516 -10.9099 -10.9079 -10.7665 -10.7441 -10.7396 -10.7358 0.0980 0.0995 1.8612 1.8670 2.0579 2.0591 2.6492 2.6542 3.0066 3.0107 3.1746 3.1747 3.5069 3.5090 3.8154 3.8206 4.0952 4.1031 4.9314 4.9408 5.1119 5.1137 5.2185 5.2267 12.1150 12.1192 12.3539 12.3541 12.5561 12.5572 12.6909 12.6911 k = 0.4595 0.5056 0.3329 ( 9843 PWs) bands (ev): -36.9797 -36.9797 -36.9787 -36.9787 -32.5050 -32.5050 -13.9640 -13.9419 -13.6334 -13.6318 -13.5925 -13.5711 -12.0625 -12.0491 -10.9074 -10.9049 -10.7673 -10.7442 -10.7399 -10.7359 0.0976 0.0990 1.8952 1.9012 2.0756 2.0770 2.6528 2.6580 2.9956 3.0000 3.1493 3.1494 3.4849 3.4869 3.8009 3.8064 4.0748 4.0831 4.9524 4.9623 5.1121 5.1139 5.2298 5.2384 12.0830 12.0872 12.3628 12.3628 12.5328 12.5337 12.6744 12.6744 k = 0.4662 0.5130 0.3218 ( 9838 PWs) bands (ev): -36.9797 -36.9797 -36.9788 -36.9788 -32.5049 -32.5049 -13.9654 -13.9424 -13.6329 -13.6315 -13.5967 -13.5739 -12.0596 -12.0468 -10.9048 -10.9016 -10.7680 -10.7443 -10.7403 -10.7360 0.0976 0.0990 1.9293 1.9357 2.0940 2.0957 2.6529 2.6584 2.9871 2.9918 3.1243 3.1244 3.4639 3.4657 3.7855 3.7914 4.0536 4.0624 4.9725 4.9828 5.1127 5.1146 5.2415 5.2505 12.0517 12.0558 12.3716 12.3718 12.5109 12.5116 12.6582 12.6583 k = 0.4730 0.5205 0.3108 ( 9842 PWs) bands (ev): -36.9796 -36.9796 -36.9788 -36.9788 -32.5049 -32.5049 -13.9666 -13.9429 -13.6326 -13.6313 -13.6006 -13.5766 -12.0570 -12.0450 -10.9022 -10.8982 -10.7686 -10.7444 -10.7407 -10.7362 0.0980 0.0993 1.9633 1.9700 2.1136 2.1156 2.6499 2.6554 2.9807 2.9856 3.0997 3.0999 3.4440 3.4458 3.7692 3.7755 4.0318 4.0409 4.9915 5.0021 5.1139 5.1157 5.2538 5.2631 12.0211 12.0252 12.3805 12.3808 12.4906 12.4912 12.6425 12.6429 k = 0.4797 0.5279 0.2997 ( 9841 PWs) bands (ev): -36.9796 -36.9796 -36.9789 -36.9789 -32.5049 -32.5049 -13.9679 -13.9435 -13.6326 -13.6312 -13.6039 -13.5791 -12.0547 -12.0434 -10.8994 -10.8947 -10.7691 -10.7444 -10.7412 -10.7364 0.0987 0.0998 1.9964 2.0034 2.1349 2.1372 2.6441 2.6496 2.9759 2.9808 3.0756 3.0759 3.4258 3.4275 3.7520 3.7586 4.0095 4.0188 5.0093 5.0201 5.1154 5.1173 5.2666 5.2761 11.9914 11.9955 12.3891 12.3898 12.4721 12.4725 12.6277 12.6282 k = 0.4865 0.5354 0.2886 ( 9849 PWs) bands (ev): -36.9795 -36.9795 -36.9789 -36.9789 -32.5048 -32.5048 -13.9690 -13.9442 -13.6329 -13.6312 -13.6066 -13.5813 -12.0527 -12.0422 -10.8965 -10.8910 -10.7696 -10.7444 -10.7415 -10.7366 0.0995 0.1006 2.0280 2.0352 2.1587 2.1612 2.6361 2.6415 2.9717 2.9766 3.0520 3.0526 3.4096 3.4112 3.7337 3.7405 3.9869 3.9965 5.0257 5.0367 5.1174 5.1193 5.2799 5.2895 11.9629 11.9669 12.3974 12.3983 12.4555 12.4557 12.6137 12.6145 k = 0.4932 0.5428 0.2776 ( 9848 PWs) bands (ev): -36.9795 -36.9795 -36.9790 -36.9790 -32.5048 -32.5048 -13.9701 -13.9450 -13.6336 -13.6314 -13.6086 -13.5833 -12.0511 -12.0414 -10.8936 -10.8873 -10.7699 -10.7444 -10.7418 -10.7368 0.1006 0.1016 2.0575 2.0647 2.1855 2.1880 2.6264 2.6317 2.9672 2.9719 3.0292 3.0299 3.3959 3.3974 3.7141 3.7211 3.9643 3.9741 5.0406 5.0516 5.1197 5.1215 5.2935 5.3032 11.9355 11.9394 12.4049 12.4064 12.4408 12.4409 12.6008 12.6018 k = 0.5000 0.5502 0.2665 ( 9850 PWs) bands (ev): -36.9794 -36.9794 -36.9790 -36.9790 -32.5048 -32.5048 -13.9710 -13.9458 -13.6348 -13.6317 -13.6098 -13.5849 -12.0498 -12.0409 -10.8906 -10.8836 -10.7701 -10.7447 -10.7419 -10.7371 0.1017 0.1026 2.0846 2.0915 2.2157 2.2181 2.6155 2.6207 2.9616 2.9661 3.0071 3.0081 3.3852 3.3865 3.6931 3.7001 3.9421 3.9519 5.0540 5.0650 5.1222 5.1241 5.3075 5.3170 11.9094 11.9132 12.4112 12.4139 12.4280 12.4290 12.5892 12.5905 k = 0.5000 0.5502 0.2665 ( 9850 PWs) bands (ev): -36.9794 -36.9794 -36.9790 -36.9790 -32.5048 -32.5048 -13.9710 -13.9458 -13.6348 -13.6317 -13.6098 -13.5849 -12.0498 -12.0409 -10.8906 -10.8836 -10.7701 -10.7447 -10.7419 -10.7371 0.1017 0.1026 2.0846 2.0915 2.2157 2.2181 2.6155 2.6207 2.9616 2.9661 3.0071 3.0081 3.3852 3.3865 3.6931 3.7001 3.9421 3.9519 5.0540 5.0650 5.1222 5.1241 5.3075 5.3170 11.9094 11.9132 12.4112 12.4139 12.4280 12.4290 12.5892 12.5905 k = 0.5000 0.5502 0.2517 ( 9844 PWs) bands (ev): -36.9793 -36.9793 -36.9791 -36.9791 -32.5048 -32.5048 -13.9721 -13.9469 -13.6364 -13.6320 -13.6108 -13.5870 -12.0488 -12.0410 -10.8863 -10.8782 -10.7704 -10.7452 -10.7417 -10.7374 0.1032 0.1040 2.1188 2.1252 2.2592 2.2613 2.6008 2.6057 2.9529 2.9569 2.9789 2.9805 3.3730 3.3743 3.6634 3.6705 3.9115 3.9212 5.0708 5.0816 5.1265 5.1284 5.3259 5.3352 11.8759 11.8796 12.4102 12.4132 12.4235 12.4244 12.5747 12.5764 k = 0.5000 0.5502 0.2369 ( 9858 PWs) bands (ev): -36.9792 -36.9792 -36.9792 -36.9792 -32.5047 -32.5047 -13.9731 -13.9480 -13.6378 -13.6323 -13.6118 -13.5890 -12.0488 -12.0419 -10.8814 -10.8722 -10.7707 -10.7457 -10.7415 -10.7377 0.1044 0.1051 2.1529 2.1588 2.3038 2.3058 2.5868 2.5915 2.9437 2.9455 2.9527 2.9565 3.3612 3.3624 3.6328 3.6400 3.8785 3.8883 5.0870 5.0977 5.1321 5.1342 5.3436 5.3526 11.8437 11.8471 12.3993 12.4009 12.4319 12.4329 12.5606 12.5627 k = 0.5000 0.5502 0.2221 ( 9856 PWs) bands (ev): -36.9793 -36.9793 -36.9792 -36.9792 -32.5047 -32.5047 -13.9738 -13.9491 -13.6389 -13.6324 -13.6128 -13.5911 -12.0495 -12.0436 -10.8760 -10.8656 -10.7710 -10.7463 -10.7413 -10.7380 0.1055 0.1061 2.1871 2.1927 2.3488 2.3507 2.5737 2.5782 2.9249 2.9252 2.9378 2.9432 3.3499 3.3510 3.6014 3.6086 3.8436 3.8533 5.1026 5.1132 5.1390 5.1412 5.3605 5.3692 11.8128 11.8160 12.3894 12.3908 12.4400 12.4419 12.5472 12.5500 k = 0.5000 0.5502 0.2073 ( 9852 PWs) bands (ev): -36.9793 -36.9793 -36.9791 -36.9791 -32.5047 -32.5047 -13.9744 -13.9502 -13.6396 -13.6324 -13.6137 -13.5932 -12.0509 -12.0460 -10.8702 -10.8587 -10.7714 -10.7469 -10.7411 -10.7382 0.1063 0.1068 2.2219 2.2272 2.3937 2.3957 2.5614 2.5656 2.9016 2.9025 2.9295 2.9343 3.3391 3.3401 3.5692 3.5765 3.8067 3.8166 5.1176 5.1279 5.1469 5.1492 5.3765 5.3849 11.7833 11.7863 12.3816 12.3829 12.4470 12.4499 12.5352 12.5388 k = 0.5000 0.5502 0.1925 ( 9856 PWs) bands (ev): -36.9794 -36.9794 -36.9790 -36.9790 -32.5047 -32.5047 -13.9748 -13.9513 -13.6401 -13.6323 -13.6146 -13.5953 -12.0529 -12.0488 -10.8642 -10.8515 -10.7717 -10.7474 -10.7409 -10.7385 0.1069 0.1073 2.2574 2.2623 2.4379 2.4401 2.5500 2.5539 2.8798 2.8813 2.9218 2.9263 3.3288 3.3298 3.5363 3.5438 3.7683 3.7782 5.1318 5.1419 5.1555 5.1579 5.3917 5.3997 11.7554 11.7582 12.3758 12.3771 12.4520 12.4558 12.5257 12.5302 k = 0.5000 0.5502 0.1777 ( 9856 PWs) bands (ev): -36.9795 -36.9795 -36.9790 -36.9790 -32.5046 -32.5046 -13.9751 -13.9524 -13.6402 -13.6321 -13.6155 -13.5974 -12.0554 -12.0521 -10.8580 -10.8442 -10.7721 -10.7480 -10.7407 -10.7387 0.1072 0.1076 2.2935 2.2982 2.4809 2.4834 2.5394 2.5431 2.8603 2.8623 2.9145 2.9187 3.3192 3.3201 3.5029 3.5105 3.7286 3.7387 5.1451 5.1549 5.1647 5.1672 5.4059 5.4135 11.7291 11.7316 12.3719 12.3732 12.4536 12.4581 12.5202 12.5252 k = 0.5000 0.5502 0.1629 ( 9838 PWs) bands (ev): -36.9795 -36.9795 -36.9789 -36.9789 -32.5046 -32.5046 -13.9751 -13.9536 -13.6401 -13.6318 -13.6164 -13.5996 -12.0583 -12.0556 -10.8517 -10.8370 -10.7725 -10.7486 -10.7405 -10.7388 0.1074 0.1077 2.3304 2.3348 2.5218 2.5247 2.5299 2.5336 2.8434 2.8460 2.9076 2.9115 3.3101 3.3110 3.4692 3.4769 3.6880 3.6981 5.1577 5.1669 5.1743 5.1767 5.4191 5.4263 11.7045 11.7068 12.3698 12.3711 12.4514 12.4558 12.5195 12.5245 k = 0.5000 0.5502 0.1481 ( 9838 PWs) bands (ev): -36.9796 -36.9796 -36.9788 -36.9788 -32.5046 -32.5046 -13.9750 -13.9548 -13.6397 -13.6314 -13.6172 -13.6017 -12.0613 -12.0593 -10.8454 -10.8298 -10.7728 -10.7492 -10.7403 -10.7390 0.1074 0.1076 2.3677 2.3720 2.5207 2.5237 2.5608 2.5647 2.8297 2.8330 2.9011 2.9047 3.3017 3.3027 3.4353 3.4432 3.6466 3.6570 5.1694 5.1778 5.1842 5.1862 5.4313 5.4380 11.6817 11.6838 12.3693 12.3706 12.4459 12.4498 12.5230 12.5274 k = 0.5000 0.5502 0.1333 ( 9830 PWs) bands (ev): -36.9796 -36.9796 -36.9788 -36.9788 -32.5046 -32.5046 -13.9747 -13.9560 -13.6390 -13.6310 -13.6180 -13.6039 -12.0645 -12.0630 -10.8393 -10.8230 -10.7731 -10.7499 -10.7401 -10.7391 0.1073 0.1074 2.4053 2.4094 2.5128 2.5155 2.5956 2.6004 2.8202 2.8241 2.8951 2.8984 3.2939 3.2950 3.4016 3.4098 3.6049 3.6155 5.1801 5.1876 5.1939 5.1955 5.4424 5.4486 11.6609 11.6627 12.3702 12.3715 12.4386 12.4418 12.5288 12.5325 k = 0.5000 0.5502 0.1185 ( 9820 PWs) bands (ev): -36.9797 -36.9797 -36.9787 -36.9787 -32.5046 -32.5046 -13.9743 -13.9572 -13.6381 -13.6304 -13.6188 -13.6062 -12.0677 -12.0666 -10.8335 -10.8167 -10.7732 -10.7506 -10.7400 -10.7393 0.1070 0.1071 2.4428 2.4466 2.5059 2.5081 2.6255 2.6311 2.8159 2.8204 2.8896 2.8926 3.2868 3.2881 3.3688 3.3771 3.5632 3.5740 5.1900 5.1964 5.2032 5.2043 5.4525 5.4581 11.6420 11.6436 12.3722 12.3735 12.4306 12.4332 12.5355 12.5385 k = 0.5000 0.5502 0.1036 ( 9824 PWs) bands (ev): -36.9797 -36.9797 -36.9787 -36.9787 -32.5045 -32.5045 -13.9738 -13.9584 -13.6369 -13.6299 -13.6196 -13.6084 -12.0708 -12.0701 -10.8279 -10.8111 -10.7731 -10.7513 -10.7398 -10.7394 0.1066 0.1067 2.4796 2.4824 2.5006 2.5016 2.6493 2.6554 2.8180 2.8226 2.8847 2.8873 3.2800 3.2819 3.3377 3.3459 3.5218 3.5328 5.1989 5.2044 5.2116 5.2125 5.4615 5.4664 11.6251 11.6266 12.3751 12.3763 12.4227 12.4248 12.5423 12.5448 k = 0.5000 0.5502 0.0888 ( 9836 PWs) bands (ev): -36.9798 -36.9798 -36.9786 -36.9786 -32.5045 -32.5045 -13.9731 -13.9597 -13.6355 -13.6293 -13.6204 -13.6107 -12.0737 -12.0733 -10.8227 -10.8064 -10.7726 -10.7522 -10.7397 -10.7395 0.1063 0.1063 2.4929 2.4956 2.5152 2.5198 2.6668 2.6728 2.8265 2.8305 2.8804 2.8826 3.2732 3.2765 3.3100 3.3174 3.4811 3.4923 5.2069 5.2115 5.2192 5.2198 5.4693 5.4736 11.6104 11.6116 12.3784 12.3796 12.4153 12.4170 12.5487 12.5508 k = 0.5000 0.5502 0.0740 ( 9844 PWs) bands (ev): -36.9798 -36.9798 -36.9786 -36.9786 -32.5045 -32.5045 -13.9723 -13.9609 -13.6340 -13.6286 -13.6212 -13.6130 -12.0764 -12.0761 -10.8180 -10.8028 -10.7717 -10.7532 -10.7397 -10.7395 0.1059 0.1059 2.4889 2.4909 2.5477 2.5516 2.6798 2.6850 2.8390 2.8418 2.8767 2.8786 3.2645 3.2717 3.2887 3.2930 3.4415 3.4529 5.2138 5.2177 5.2257 5.2261 5.4761 5.4797 11.5978 11.5988 12.3820 12.3830 12.4088 12.4101 12.5546 12.5562 k = 0.5000 0.5502 0.0592 ( 9856 PWs) bands (ev): -36.9798 -36.9798 -36.9786 -36.9786 -32.5045 -32.5045 -13.9714 -13.9622 -13.6323 -13.6279 -13.6219 -13.6152 -12.0786 -12.0785 -10.8137 -10.8004 -10.7702 -10.7544 -10.7396 -10.7396 0.1055 0.1055 2.4854 2.4869 2.5756 2.5788 2.6914 2.6954 2.8520 2.8534 2.8737 2.8752 3.2528 3.2671 3.2748 3.2771 3.4036 3.4151 5.2196 5.2227 5.2311 5.2315 5.4817 5.4846 11.5875 11.5883 12.3854 12.3863 12.4033 12.4042 12.5596 12.5608 k = 0.5000 0.5502 0.0444 ( 9856 PWs) bands (ev): -36.9798 -36.9798 -36.9786 -36.9786 -32.5045 -32.5045 -13.9705 -13.9634 -13.6305 -13.6272 -13.6227 -13.6175 -12.0805 -12.0804 -10.8098 -10.7992 -10.7683 -10.7558 -10.7396 -10.7396 0.1051 0.1051 2.4827 2.4838 2.5969 2.5992 2.7040 2.7066 2.8619 2.8623 2.8716 2.8725 3.2432 3.2603 3.2671 3.2719 3.3682 3.3796 5.2243 5.2266 5.2354 5.2357 5.4861 5.4883 11.5794 11.5800 12.3884 12.3892 12.3989 12.3996 12.5636 12.5645 k = 0.5000 0.5502 0.0296 ( 9852 PWs) bands (ev): -36.9798 -36.9798 -36.9786 -36.9786 -32.5045 -32.5045 -13.9694 -13.9647 -13.6285 -13.6265 -13.6234 -13.6198 -12.0818 -12.0818 -10.8065 -10.7991 -10.7660 -10.7574 -10.7396 -10.7396 0.1049 0.1049 2.4807 2.4815 2.6108 2.6121 2.7177 2.7190 2.8664 2.8667 2.8708 2.8708 3.2404 3.2564 3.2654 3.2696 3.3368 3.3476 5.2277 5.2293 5.2385 5.2387 5.4894 5.4909 11.5737 11.5741 12.3908 12.3914 12.3959 12.3962 12.5666 12.5672 k = 0.5000 0.5502 0.0148 ( 9856 PWs) bands (ev): -36.9799 -36.9799 -36.9786 -36.9786 -32.5045 -32.5045 -13.9683 -13.9659 -13.6266 -13.6259 -13.6241 -13.6220 -12.0826 -12.0826 -10.8037 -10.7999 -10.7636 -10.7593 -10.7396 -10.7396 0.1047 0.1047 2.4797 2.4800 2.6181 2.6187 2.7291 2.7295 2.8669 2.8673 2.8702 2.8708 3.2445 3.2551 3.2680 3.2698 3.3126 3.3209 5.2300 5.2308 5.2404 5.2405 5.4915 5.4923 11.5703 11.5705 12.3920 12.3924 12.3943 12.3943 12.5685 12.5688 k = 0.5000 0.5502 0.0000 ( 9852 PWs) bands (ev): -36.9799 -36.9799 -36.9786 -36.9786 -32.5045 -32.5045 -13.9671 -13.9671 -13.6254 -13.6254 -13.6239 -13.6239 -12.0829 -12.0829 -10.8015 -10.8015 -10.7614 -10.7614 -10.7396 -10.7396 0.1047 0.1047 2.4794 2.4794 2.6204 2.6204 2.7337 2.7337 2.8669 2.8669 2.8703 2.8703 3.2512 3.2512 3.2713 3.2713 3.3054 3.3054 5.2310 5.2310 5.2411 5.2411 5.4925 5.4925 11.5692 11.5692 12.3923 12.3923 12.3941 12.3941 12.5692 12.5692 k = 0.0000 0.0000 0.6756 ( 9818 PWs) bands (ev): -36.9810 -36.9810 -36.9774 -36.9774 -32.5054 -32.5054 -13.9241 -13.9241 -13.5966 -13.5966 -13.5284 -13.5284 -12.2608 -12.2608 -10.8054 -10.8054 -10.7777 -10.7777 -10.7287 -10.7287 0.1054 0.1054 1.1867 1.1867 1.8269 1.8269 2.9887 2.9887 3.2502 3.2502 3.5430 3.5430 3.6054 3.6054 4.0617 4.0617 4.2063 4.2063 4.7220 4.7220 4.8586 4.8586 5.3584 5.3584 12.3857 12.3857 12.6083 12.6083 12.7668 12.7668 13.2984 13.2984 k = 0.0100 0.0110 0.6756 ( 9818 PWs) bands (ev): -36.9810 -36.9810 -36.9774 -36.9774 -32.5054 -32.5054 -13.9242 -13.9242 -13.5966 -13.5966 -13.5286 -13.5286 -12.2602 -12.2602 -10.8057 -10.8057 -10.7777 -10.7777 -10.7287 -10.7287 0.1059 0.1059 1.1879 1.1879 1.8257 1.8257 2.9798 2.9798 3.2582 3.2582 3.5431 3.5431 3.6053 3.6053 4.0627 4.0627 4.2060 4.2060 4.7218 4.7218 4.8589 4.8589 5.3578 5.3578 12.3859 12.3859 12.6085 12.6085 12.7673 12.7673 13.2987 13.2987 k = 0.0200 0.0220 0.6756 ( 9816 PWs) bands (ev): -36.9810 -36.9810 -36.9774 -36.9774 -32.5054 -32.5054 -13.9242 -13.9242 -13.5967 -13.5967 -13.5291 -13.5291 -12.2584 -12.2584 -10.8068 -10.8068 -10.7776 -10.7776 -10.7289 -10.7289 0.1074 0.1074 1.1913 1.1913 1.8222 1.8222 2.9558 2.9558 3.2798 3.2798 3.5433 3.5433 3.6052 3.6052 4.0657 4.0657 4.2051 4.2051 4.7214 4.7214 4.8599 4.8599 5.3560 5.3560 12.3867 12.3867 12.6091 12.6091 12.7689 12.7689 13.2997 13.2997 k = 0.0300 0.0330 0.6756 ( 9824 PWs) bands (ev): -36.9810 -36.9810 -36.9775 -36.9775 -32.5054 -32.5054 -13.9243 -13.9243 -13.5969 -13.5969 -13.5299 -13.5299 -12.2556 -12.2556 -10.8086 -10.8086 -10.7776 -10.7776 -10.7292 -10.7292 0.1099 0.1099 1.1970 1.1970 1.8163 1.8163 2.9219 2.9219 3.3098 3.3098 3.5438 3.5438 3.6049 3.6049 4.0707 4.0707 4.2037 4.2037 4.7207 4.7207 4.8615 4.8615 5.3529 5.3529 12.3878 12.3878 12.6102 12.6102 12.7716 12.7716 13.3011 13.3011 k = 0.0400 0.0440 0.6756 ( 9844 PWs) bands (ev): -36.9810 -36.9810 -36.9775 -36.9775 -32.5054 -32.5054 -13.9245 -13.9245 -13.5972 -13.5972 -13.5311 -13.5311 -12.2516 -12.2516 -10.8111 -10.8111 -10.7774 -10.7774 -10.7295 -10.7295 0.1133 0.1133 1.2049 1.2049 1.8082 1.8082 2.8817 2.8817 3.3444 3.3444 3.5444 3.5444 3.6047 3.6047 4.0774 4.0774 4.2016 4.2016 4.7197 4.7197 4.8638 4.8638 5.3487 5.3487 12.3895 12.3895 12.6117 12.6117 12.7754 12.7754 13.3030 13.3030 k = 0.0500 0.0550 0.6756 ( 9842 PWs) bands (ev): -36.9810 -36.9810 -36.9775 -36.9775 -32.5054 -32.5054 -13.9247 -13.9247 -13.5975 -13.5975 -13.5326 -13.5326 -12.2466 -12.2466 -10.8143 -10.8143 -10.7772 -10.7772 -10.7300 -10.7300 0.1176 0.1176 1.2151 1.2151 1.7980 1.7980 2.8378 2.8378 3.3813 3.3813 3.5452 3.5452 3.6045 3.6045 4.0856 4.0856 4.1990 4.1990 4.7185 4.7185 4.8668 4.8668 5.3433 5.3433 12.3915 12.3915 12.6138 12.6138 12.7802 12.7802 13.3050 13.3053 k = 0.0600 0.0660 0.6756 ( 9840 PWs) bands (ev): -36.9809 -36.9809 -36.9776 -36.9776 -32.5054 -32.5054 -13.9249 -13.9249 -13.5978 -13.5978 -13.5343 -13.5343 -12.2406 -12.2406 -10.8181 -10.8181 -10.7769 -10.7769 -10.7305 -10.7305 0.1228 0.1228 1.2275 1.2275 1.7859 1.7859 2.7914 2.7914 3.4191 3.4191 3.5461 3.5461 3.6044 3.6044 4.0952 4.0952 4.1958 4.1958 4.7170 4.7170 4.8705 4.8705 5.3368 5.3368 12.3940 12.3940 12.6164 12.6164 12.7862 12.7862 13.3069 13.3069 k = 0.0700 0.0770 0.6756 ( 9840 PWs) bands (ev): -36.9809 -36.9809 -36.9776 -36.9776 -32.5054 -32.5054 -13.9252 -13.9252 -13.5981 -13.5981 -13.5363 -13.5363 -12.2337 -12.2337 -10.8226 -10.8226 -10.7765 -10.7765 -10.7312 -10.7312 0.1289 0.1289 1.2421 1.2421 1.7721 1.7721 2.7432 2.7432 3.4571 3.4571 3.5472 3.5472 3.6046 3.6046 4.1059 4.1059 4.1921 4.1921 4.7153 4.7153 4.8748 4.8748 5.3291 5.3291 12.3968 12.3968 12.6198 12.6198 12.7932 12.7932 13.3084 13.3084 k = 0.0800 0.0880 0.6756 ( 9832 PWs) bands (ev): -36.9808 -36.9808 -36.9776 -36.9776 -32.5054 -32.5054 -13.9255 -13.9255 -13.5985 -13.5985 -13.5385 -13.5385 -12.2261 -12.2261 -10.8277 -10.8277 -10.7760 -10.7760 -10.7319 -10.7319 0.1356 0.1356 1.2589 1.2589 1.7567 1.7567 2.6938 2.6938 3.4949 3.4949 3.5484 3.5484 3.6050 3.6050 4.1174 4.1174 4.1878 4.1878 4.7134 4.7134 4.8799 4.8799 5.3204 5.3204 12.3999 12.3999 12.6240 12.6240 12.8013 12.8013 13.3092 13.3092 k = 0.0900 0.0990 0.6756 ( 9840 PWs) bands (ev): -36.9808 -36.9808 -36.9777 -36.9777 -32.5054 -32.5054 -13.9258 -13.9258 -13.5989 -13.5989 -13.5409 -13.5409 -12.2178 -12.2178 -10.8332 -10.8332 -10.7754 -10.7754 -10.7327 -10.7327 0.1431 0.1431 1.2779 1.2779 1.7399 1.7399 2.6434 2.6434 3.5320 3.5321 3.5498 3.5498 3.6057 3.6057 4.1293 4.1293 4.1831 4.1831 4.7114 4.7114 4.8857 4.8857 5.3107 5.3107 12.4032 12.4032 12.6290 12.6290 12.8104 12.8104 13.3087 13.3087 k = 0.1000 0.1100 0.6756 ( 9832 PWs) bands (ev): -36.9807 -36.9807 -36.9778 -36.9778 -32.5054 -32.5054 -13.9262 -13.9262 -13.5992 -13.5992 -13.5435 -13.5435 -12.2090 -12.2090 -10.8392 -10.8392 -10.7747 -10.7747 -10.7336 -10.7336 0.1511 0.1511 1.2989 1.2989 1.7222 1.7222 2.5924 2.5924 3.5507 3.5507 3.5689 3.5689 3.6068 3.6068 4.1410 4.1410 4.1784 4.1784 4.7092 4.7092 4.8921 4.8921 5.3000 5.3000 12.4068 12.4068 12.6350 12.6350 12.8207 12.8207 13.3062 13.3080 k = 0.1100 0.1210 0.6756 ( 9836 PWs) bands (ev): -36.9806 -36.9806 -36.9778 -36.9778 -32.5054 -32.5054 -13.9266 -13.9266 -13.5995 -13.5995 -13.5462 -13.5462 -12.1997 -12.1997 -10.8456 -10.8456 -10.7740 -10.7739 -10.7346 -10.7346 0.1597 0.1597 1.3220 1.3220 1.7036 1.7036 2.5408 2.5408 3.5523 3.5523 3.6018 3.6018 3.6108 3.6108 4.1509 4.1509 4.1749 4.1749 4.7069 4.7069 4.8994 4.8994 5.2884 5.2884 12.4105 12.4105 12.6421 12.6421 12.8320 12.8320 13.2979 13.2983 k = 0.1200 0.1321 0.6756 ( 9846 PWs) bands (ev): -36.9806 -36.9806 -36.9779 -36.9779 -32.5054 -32.5054 -13.9270 -13.9270 -13.5998 -13.5998 -13.5489 -13.5489 -12.1902 -12.1902 -10.8522 -10.8522 -10.7731 -10.7731 -10.7356 -10.7356 0.1686 0.1686 1.3471 1.3471 1.6845 1.6845 2.4889 2.4889 3.5538 3.5538 3.6083 3.6083 3.6406 3.6406 4.1541 4.1542 4.1773 4.1773 4.7046 4.7046 4.9073 4.9073 5.2760 5.2760 12.4143 12.4143 12.6502 12.6502 12.8444 12.8444 13.2806 13.2809 k = 0.1300 0.1431 0.6756 ( 9836 PWs) bands (ev): -36.9805 -36.9805 -36.9780 -36.9780 -32.5054 -32.5054 -13.9275 -13.9275 -13.6000 -13.6000 -13.5517 -13.5517 -12.1806 -12.1806 -10.8589 -10.8589 -10.7722 -10.7722 -10.7367 -10.7367 0.1777 0.1777 1.3742 1.3742 1.6652 1.6652 2.4367 2.4367 3.5552 3.5553 3.6103 3.6103 3.6742 3.6742 4.1498 4.1498 4.1864 4.1864 4.7022 4.7022 4.9160 4.9160 5.2628 5.2628 12.4182 12.4182 12.6595 12.6595 12.8578 12.8578 13.2599 13.2599 k = 0.1400 0.1541 0.6756 ( 9828 PWs) bands (ev): -36.9804 -36.9804 -36.9781 -36.9781 -32.5054 -32.5054 -13.9279 -13.9279 -13.6000 -13.6000 -13.5546 -13.5546 -12.1709 -12.1709 -10.8657 -10.8657 -10.7712 -10.7712 -10.7379 -10.7379 0.1870 0.1870 1.4033 1.4033 1.6459 1.6459 2.3844 2.3844 3.5567 3.5567 3.6123 3.6123 3.7069 3.7069 4.1423 4.1423 4.1975 4.1975 4.6999 4.6999 4.9254 4.9254 5.2488 5.2488 12.4220 12.4220 12.6699 12.6699 12.8723 12.8723 13.2379 13.2379 k = 0.1500 0.1651 0.6756 ( 9816 PWs) bands (ev): -36.9803 -36.9803 -36.9782 -36.9782 -32.5054 -32.5054 -13.9284 -13.9284 -13.6000 -13.6000 -13.5574 -13.5574 -12.1615 -12.1615 -10.8724 -10.8724 -10.7701 -10.7701 -10.7390 -10.7390 0.1963 0.1963 1.4341 1.4341 1.6270 1.6270 2.3321 2.3321 3.5582 3.5582 3.6144 3.6144 3.7386 3.7386 4.1334 4.1334 4.2086 4.2086 4.6976 4.6976 4.9355 4.9355 5.2343 5.2343 12.4257 12.4257 12.6815 12.6815 12.8877 12.8877 13.2151 13.2151 k = 0.1600 0.1761 0.6756 ( 9826 PWs) bands (ev): -36.9802 -36.9802 -36.9783 -36.9783 -32.5054 -32.5054 -13.9288 -13.9288 -13.5999 -13.5999 -13.5602 -13.5602 -12.1524 -12.1524 -10.8789 -10.8789 -10.7691 -10.7691 -10.7403 -10.7403 0.2053 0.2053 1.4668 1.4668 1.6087 1.6087 2.2799 2.2799 3.5596 3.5596 3.6166 3.6166 3.7691 3.7691 4.1235 4.1235 4.2192 4.2192 4.6954 4.6954 4.9464 4.9464 5.2192 5.2192 12.4293 12.4293 12.6941 12.6941 12.9041 12.9041 13.1916 13.1917 k = 0.1700 0.1871 0.6756 ( 9830 PWs) bands (ev): -36.9801 -36.9801 -36.9784 -36.9784 -32.5054 -32.5054 -13.9292 -13.9292 -13.5997 -13.5997 -13.5629 -13.5629 -12.1437 -12.1437 -10.8851 -10.8851 -10.7679 -10.7679 -10.7415 -10.7415 0.2141 0.2141 1.5013 1.5013 1.5914 1.5914 2.2279 2.2279 3.5609 3.5609 3.6188 3.6188 3.7985 3.7985 4.1126 4.1126 4.2292 4.2292 4.6933 4.6933 4.9580 4.9580 5.2036 5.2036 12.4327 12.4327 12.7078 12.7078 12.9215 12.9215 13.1679 13.1679 k = 0.1800 0.1981 0.6756 ( 9832 PWs) bands (ev): -36.9800 -36.9800 -36.9785 -36.9785 -32.5054 -32.5054 -13.9296 -13.9296 -13.5994 -13.5994 -13.5655 -13.5655 -12.1357 -12.1357 -10.8909 -10.8909 -10.7668 -10.7668 -10.7427 -10.7427 0.2223 0.2223 1.5373 1.5373 1.5754 1.5754 2.1763 2.1763 3.5621 3.5621 3.6209 3.6209 3.8266 3.8266 4.1008 4.1008 4.2382 4.2382 4.6914 4.6914 4.9702 4.9702 5.1877 5.1877 12.4359 12.4359 12.7222 12.7222 12.9396 12.9396 13.1442 13.1442 k = 0.1900 0.2091 0.6756 ( 9824 PWs) bands (ev): -36.9799 -36.9799 -36.9786 -36.9786 -32.5054 -32.5054 -13.9300 -13.9300 -13.5989 -13.5989 -13.5680 -13.5680 -12.1284 -12.1284 -10.8962 -10.8962 -10.7656 -10.7656 -10.7440 -10.7440 0.2298 0.2298 1.5605 1.5605 1.5754 1.5754 2.1250 2.1250 3.5632 3.5632 3.6228 3.6228 3.8536 3.8536 4.0881 4.0881 4.2462 4.2462 4.6897 4.6897 4.9832 4.9832 5.1715 5.1715 12.4387 12.4387 12.7372 12.7372 12.9586 12.9586 13.1210 13.1210 k = 0.2000 0.2201 0.6756 ( 9812 PWs) bands (ev): -36.9798 -36.9798 -36.9787 -36.9787 -32.5054 -32.5054 -13.9303 -13.9303 -13.5984 -13.5984 -13.5702 -13.5702 -12.1220 -12.1220 -10.9009 -10.9009 -10.7645 -10.7645 -10.7452 -10.7452 0.2365 0.2365 1.5478 1.5478 1.6145 1.6145 2.0742 2.0742 3.5641 3.5641 3.6246 3.6246 3.8794 3.8794 4.0744 4.0744 4.2531 4.2531 4.6882 4.6882 4.9967 4.9967 5.1550 5.1550 12.4412 12.4412 12.7523 12.7523 12.9783 12.9783 13.0987 13.0987 k = 0.2100 0.2311 0.6756 ( 9792 PWs) bands (ev): -36.9797 -36.9797 -36.9788 -36.9788 -32.5054 -32.5054 -13.9306 -13.9306 -13.5979 -13.5979 -13.5722 -13.5722 -12.1166 -12.1166 -10.9049 -10.9049 -10.7634 -10.7634 -10.7463 -10.7463 0.2422 0.2422 1.5370 1.5370 1.6552 1.6552 2.0241 2.0241 3.5650 3.5650 3.6262 3.6262 3.9040 3.9040 4.0598 4.0598 4.2589 4.2589 4.6869 4.6869 5.0108 5.0108 5.1385 5.1385 12.4432 12.4432 12.7669 12.7669 12.9986 12.9986 13.0780 13.0780 k = 0.2200 0.2421 0.6756 ( 9796 PWs) bands (ev): -36.9796 -36.9796 -36.9789 -36.9789 -32.5054 -32.5054 -13.9308 -13.9308 -13.5974 -13.5974 -13.5739 -13.5739 -12.1123 -12.1123 -10.9081 -10.9081 -10.7625 -10.7624 -10.7474 -10.7474 0.2469 0.2469 1.5284 1.5284 1.6973 1.6973 1.9746 1.9746 3.5656 3.5656 3.6275 3.6275 3.9273 3.9273 4.0442 4.0443 4.2634 4.2634 4.6859 4.6859 5.0254 5.0254 5.1219 5.1219 12.4449 12.4449 12.7803 12.7803 13.0195 13.0195 13.0599 13.0599 k = 0.2300 0.2531 0.6756 ( 9800 PWs) bands (ev): -36.9795 -36.9795 -36.9790 -36.9790 -32.5054 -32.5054 -13.9310 -13.9310 -13.5969 -13.5969 -13.5752 -13.5752 -12.1091 -12.1091 -10.9104 -10.9104 -10.7616 -10.7616 -10.7482 -10.7482 0.2502 0.2502 1.5221 1.5221 1.7407 1.7407 1.9259 1.9259 3.5661 3.5661 3.6284 3.6284 3.9494 3.9494 4.0277 4.0277 4.2666 4.2666 4.6851 4.6851 5.0405 5.0405 5.1055 5.1055 12.4461 12.4461 12.7914 12.7914 13.0403 13.0403 13.0459 13.0460 k = 0.2400 0.2641 0.6756 ( 9788 PWs) bands (ev): -36.9793 -36.9793 -36.9791 -36.9791 -32.5054 -32.5054 -13.9311 -13.9311 -13.5966 -13.5966 -13.5761 -13.5760 -12.1072 -12.1072 -10.9118 -10.9118 -10.7611 -10.7611 -10.7488 -10.7488 0.2523 0.2523 1.5182 1.5182 1.7854 1.7854 1.8781 1.8781 3.5664 3.5664 3.6290 3.6290 3.9700 3.9700 4.0104 4.0104 4.2686 4.2686 4.6847 4.6847 5.0557 5.0557 5.0894 5.0894 12.4468 12.4468 12.7988 12.7988 13.0357 13.0357 13.0626 13.0626 k = 0.2500 0.2751 0.6756 ( 9784 PWs) bands (ev): -36.9792 -36.9792 -36.9792 -36.9792 -32.5054 -32.5054 -13.9311 -13.9311 -13.5965 -13.5965 -13.5763 -13.5763 -12.1066 -12.1066 -10.9123 -10.9123 -10.7609 -10.7609 -10.7490 -10.7490 0.2530 0.2530 1.5169 1.5169 1.8310 1.8310 1.8314 1.8314 3.5665 3.5665 3.6292 3.6292 3.9849 3.9849 3.9966 3.9966 4.2693 4.2693 4.6845 4.6845 5.0673 5.0673 5.0775 5.0775 12.4471 12.4471 12.8014 12.8014 13.0324 13.0324 13.0828 13.0834 Writing output data file Li2CaSiO4.save init_run : 1.28s CPU 0.76s WALL ( 1 calls) electrons : 687.70s CPU 511.62s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.11s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 687.70s CPU 511.61s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.26s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.84s CPU 0.91s WALL ( 351 calls) cegterg : 608.12s CPU 466.24s WALL ( 921 calls) Called by sum_band: Called by *egterg: h_psi : 455.02s CPU 296.23s WALL ( 15876 calls) s_psi : 17.15s CPU 13.91s WALL ( 15876 calls) g_psi : 1.00s CPU 0.91s WALL ( 14604 calls) cdiaghg : 127.40s CPU 122.68s WALL ( 14955 calls) cegterg:over : 25.00s CPU 22.78s WALL ( 14604 calls) cegterg:upda : 27.10s CPU 25.48s WALL ( 14604 calls) cegterg:last : 9.76s CPU 9.86s WALL ( 2106 calls) cdiaghg:chol : 7.21s CPU 7.12s WALL ( 14955 calls) cdiaghg:inve : 4.62s CPU 4.47s WALL ( 14955 calls) cdiaghg:para : 6.86s CPU 7.03s WALL ( 29910 calls) Called by h_psi: h_psi:vloc : 412.20s CPU 261.00s WALL ( 15876 calls) h_psi:vnl : 41.55s CPU 34.17s WALL ( 15876 calls) add_vuspsi : 20.88s CPU 16.82s WALL ( 15876 calls) General routines calbec : 20.55s CPU 17.30s WALL ( 15876 calls) fft : 0.08s CPU 0.04s WALL ( 15 calls) fftw : 394.98s CPU 246.66s WALL ( 1337144 calls) davcio : 0.52s CPU 2.10s WALL ( 702 calls) Parallel routines fft_scatter : 127.04s CPU 100.55s WALL ( 1337159 calls) PWSCF : 11m59.54s CPU 9m22.65s WALL This run was terminated on: 2:57:36 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=