Program PWSCF v.5.4.0 starts on 15Mar2017 at 13:16:17 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 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./VAgxPSe3x2.save/ file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 89 26 7 6065 968 144 Max 90 27 8 6070 1000 150 Sum 6417 1911 529 436849 70837 10505 bravais-lattice index = 14 lattice parameter (alat) = 12.0126 a.u. unit-cell volume = 1575.4885 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 4 number of electrons = 70.00 number of Kohn-Sham states= 84 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.012577 celldm(2)= 1.000000 celldm(3)= 1.098339 celldm(4)= 0.144299 celldm(5)= 0.144299 celldm(6)= -0.502652 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.502652 0.864489 0.000000 ) a(3) = ( 0.158489 0.275485 1.051350 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.581445 -0.303104 ) b(2) = ( 0.000000 1.156753 -0.303104 ) b(3) = ( 0.000000 0.000000 0.951158 ) PseudoPot. # 1 for V read from file: /users/gautes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1181 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. # 2 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 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 Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 V 13.00 50.94150 V( 1.00) Se 6.00 78.96000 Se( 1.00) Ag 11.00 107.86820 Ag( 1.00) P 5.00 30.97380 P( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 278 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0097866 0.0170111 -0.0044574), wk = 0.0035971 k( 3) = ( 0.0195732 0.0340221 -0.0089148), wk = 0.0035971 k( 4) = ( 0.0293598 0.0510332 -0.0133722), wk = 0.0035971 k( 5) = ( 0.0391465 0.0680443 -0.0178296), wk = 0.0035971 k( 6) = ( 0.0489331 0.0850554 -0.0222870), wk = 0.0035971 k( 7) = ( 0.0587197 0.1020665 -0.0267444), wk = 0.0035971 k( 8) = ( 0.0685063 0.1190775 -0.0312019), wk = 0.0035971 k( 9) = ( 0.0782929 0.1360886 -0.0356593), wk = 0.0035971 k( 10) = ( 0.0880796 0.1530997 -0.0401167), wk = 0.0035971 k( 11) = ( 0.0978662 0.1701108 -0.0445741), wk = 0.0035971 k( 12) = ( 0.1076528 0.1871218 -0.0490315), wk = 0.0035971 k( 13) = ( 0.1174394 0.2041329 -0.0534889), wk = 0.0035971 k( 14) = ( 0.1272260 0.2211440 -0.0579463), wk = 0.0035971 k( 15) = ( 0.1370126 0.2381551 -0.0624037), wk = 0.0035971 k( 16) = ( 0.1467992 0.2551661 -0.0668611), wk = 0.0035971 k( 17) = ( 0.1565859 0.2721772 -0.0713185), wk = 0.0035971 k( 18) = ( 0.1663725 0.2891883 -0.0757759), wk = 0.0035971 k( 19) = ( 0.1761591 0.3061994 -0.0802333), wk = 0.0035971 k( 20) = ( 0.1859457 0.3232104 -0.0846907), wk = 0.0035971 k( 21) = ( 0.1957323 0.3402215 -0.0891481), wk = 0.0035971 k( 22) = ( 0.2055190 0.3572326 -0.0936056), wk = 0.0035971 k( 23) = ( 0.2153056 0.3742437 -0.0980630), wk = 0.0035971 k( 24) = ( 0.2250922 0.3912547 -0.1025204), wk = 0.0035971 k( 25) = ( 0.2348788 0.4082658 -0.1069778), wk = 0.0035971 k( 26) = ( 0.2446654 0.4252769 -0.1114352), wk = 0.0035971 k( 27) = ( 0.2544520 0.4422880 -0.1158926), wk = 0.0035971 k( 28) = ( 0.2642387 0.4592990 -0.1203500), wk = 0.0035971 k( 29) = ( 0.2740253 0.4763101 -0.1248074), wk = 0.0035971 k( 30) = ( 0.2838119 0.4933212 -0.1292648), wk = 0.0035971 k( 31) = ( 0.2935985 0.5103323 -0.1337222), wk = 0.0035971 k( 32) = ( 0.3033851 0.5273434 -0.1381796), wk = 0.0035971 k( 33) = ( 0.3131717 0.5443544 -0.1426370), wk = 0.0035971 k( 34) = ( 0.3229584 0.5613655 -0.1470945), wk = 0.0035971 k( 35) = ( 0.3327450 0.5783766 -0.1515519), wk = 0.0035971 k( 36) = ( 0.3327450 0.5783766 -0.1515519), wk = 0.0035971 k( 37) = ( 0.3356183 0.5833710 -0.1324914), wk = 0.0035971 k( 38) = ( 0.3384916 0.5883654 -0.1134310), wk = 0.0035971 k( 39) = ( 0.3413649 0.5933598 -0.0943706), wk = 0.0035971 k( 40) = ( 0.3442383 0.5983542 -0.0753102), wk = 0.0035971 k( 41) = ( 0.3471116 0.6033486 -0.0562498), wk = 0.0035971 k( 42) = ( 0.3499849 0.6083430 -0.0371894), wk = 0.0035971 k( 43) = ( 0.3528582 0.6133374 -0.0181289), wk = 0.0035971 k( 44) = ( 0.3557315 0.6183317 0.0009315), wk = 0.0035971 k( 45) = ( 0.3586048 0.6233261 0.0199919), wk = 0.0035971 k( 46) = ( 0.3614782 0.6283205 0.0390523), wk = 0.0035971 k( 47) = ( 0.3643515 0.6333149 0.0581127), wk = 0.0035971 k( 48) = ( 0.3672248 0.6383093 0.0771732), wk = 0.0035971 k( 49) = ( 0.3700981 0.6433037 0.0962336), wk = 0.0035971 k( 50) = ( 0.3729714 0.6482981 0.1152940), wk = 0.0035971 k( 51) = ( 0.3758448 0.6532925 0.1343544), wk = 0.0035971 k( 52) = ( 0.3787181 0.6582869 0.1534148), wk = 0.0035971 k( 53) = ( 0.3815914 0.6632813 0.1724752), wk = 0.0035971 k( 54) = ( 0.3815914 0.6632813 0.1724752), wk = 0.0035971 k( 55) = ( 0.3761640 0.6538474 0.1893143), wk = 0.0035971 k( 56) = ( 0.3707366 0.6444136 0.2061534), wk = 0.0035971 k( 57) = ( 0.3653092 0.6349797 0.2229925), wk = 0.0035971 k( 58) = ( 0.3598819 0.6255459 0.2398316), wk = 0.0035971 k( 59) = ( 0.3544545 0.6161120 0.2566707), wk = 0.0035971 k( 60) = ( 0.3490271 0.6066781 0.2735098), wk = 0.0035971 k( 61) = ( 0.3435997 0.5972443 0.2903489), wk = 0.0035971 k( 62) = ( 0.3381724 0.5878104 0.3071880), wk = 0.0035971 k( 63) = ( 0.3327450 0.5783766 0.3240271), wk = 0.0035971 k( 64) = ( 0.3273176 0.5689427 0.3408662), wk = 0.0035971 k( 65) = ( 0.3218902 0.5595089 0.3577053), wk = 0.0035971 k( 66) = ( 0.3164628 0.5500750 0.3745444), wk = 0.0035971 k( 67) = ( 0.3110355 0.5406411 0.3913835), wk = 0.0035971 k( 68) = ( 0.3056081 0.5312073 0.4082226), wk = 0.0035971 k( 69) = ( 0.3001807 0.5217734 0.4250617), wk = 0.0035971 k( 70) = ( 0.2947533 0.5123396 0.4419008), wk = 0.0035971 k( 71) = ( 0.2893259 0.5029057 0.4587399), wk = 0.0035971 k( 72) = ( 0.2838986 0.4934718 0.4755790), wk = 0.0035971 k( 73) = ( 0.2838986 0.4934718 0.4755790), wk = 0.0035971 k( 74) = ( 0.2741090 0.4764556 0.4755790), wk = 0.0035971 k( 75) = ( 0.2643194 0.4594393 0.4755790), wk = 0.0035971 k( 76) = ( 0.2545297 0.4424230 0.4755790), wk = 0.0035971 k( 77) = ( 0.2447401 0.4254068 0.4755790), wk = 0.0035971 k( 78) = ( 0.2349505 0.4083905 0.4755790), wk = 0.0035971 k( 79) = ( 0.2251609 0.3913742 0.4755790), wk = 0.0035971 k( 80) = ( 0.2153713 0.3743579 0.4755789), wk = 0.0035971 k( 81) = ( 0.2055817 0.3573417 0.4755789), wk = 0.0035971 k( 82) = ( 0.1957921 0.3403254 0.4755789), wk = 0.0035971 k( 83) = ( 0.1860025 0.3233091 0.4755789), wk = 0.0035971 k( 84) = ( 0.1762129 0.3062929 0.4755789), wk = 0.0035971 k( 85) = ( 0.1664233 0.2892766 0.4755790), wk = 0.0035971 k( 86) = ( 0.1566337 0.2722603 0.4755789), wk = 0.0035971 k( 87) = ( 0.1468441 0.2552441 0.4755790), wk = 0.0035971 k( 88) = ( 0.1370545 0.2382278 0.4755789), wk = 0.0035971 k( 89) = ( 0.1272649 0.2212115 0.4755790), wk = 0.0035971 k( 90) = ( 0.1174753 0.2041953 0.4755789), wk = 0.0035971 k( 91) = ( 0.1076857 0.1871790 0.4755790), wk = 0.0035971 k( 92) = ( 0.0978961 0.1701627 0.4755789), wk = 0.0035971 k( 93) = ( 0.0881065 0.1531464 0.4755790), wk = 0.0035971 k( 94) = ( 0.0783168 0.1361302 0.4755790), wk = 0.0035971 k( 95) = ( 0.0685272 0.1191139 0.4755789), wk = 0.0035971 k( 96) = ( 0.0587376 0.1020976 0.4755789), wk = 0.0035971 k( 97) = ( 0.0489480 0.0850814 0.4755789), wk = 0.0035971 k( 98) = ( 0.0391584 0.0680651 0.4755789), wk = 0.0035971 k( 99) = ( 0.0293688 0.0510488 0.4755789), wk = 0.0035971 k( 100) = ( 0.0195792 0.0340325 0.4755789), wk = 0.0035971 k( 101) = ( 0.0097896 0.0170163 0.4755789), wk = 0.0035971 k( 102) = ( 0.0000000 0.0000000 0.4755789), wk = 0.0035971 k( 103) = ( 0.0000000 0.0000000 0.4755789), wk = 0.0035971 k( 104) = ( 0.0172414 -0.0099191 0.4755789), wk = 0.0035971 k( 105) = ( 0.0344828 -0.0198382 0.4755789), wk = 0.0035971 k( 106) = ( 0.0517241 -0.0297573 0.4755789), wk = 0.0035971 k( 107) = ( 0.0689655 -0.0396765 0.4755789), wk = 0.0035971 k( 108) = ( 0.0862069 -0.0495956 0.4755789), wk = 0.0035971 k( 109) = ( 0.1034483 -0.0595147 0.4755789), wk = 0.0035971 k( 110) = ( 0.1206897 -0.0694338 0.4755789), wk = 0.0035971 k( 111) = ( 0.1379310 -0.0793529 0.4755789), wk = 0.0035971 k( 112) = ( 0.1551724 -0.0892720 0.4755789), wk = 0.0035971 k( 113) = ( 0.1724138 -0.0991911 0.4755789), wk = 0.0035971 k( 114) = ( 0.1896552 -0.1091102 0.4755789), wk = 0.0035971 k( 115) = ( 0.2068966 -0.1190294 0.4755789), wk = 0.0035971 k( 116) = ( 0.2241379 -0.1289485 0.4755789), wk = 0.0035971 k( 117) = ( 0.2413793 -0.1388676 0.4755789), wk = 0.0035971 k( 118) = ( 0.2586207 -0.1487867 0.4755789), wk = 0.0035971 k( 119) = ( 0.2758621 -0.1587058 0.4755789), wk = 0.0035971 k( 120) = ( 0.2931034 -0.1686249 0.4755789), wk = 0.0035971 k( 121) = ( 0.3103448 -0.1785440 0.4755789), wk = 0.0035971 k( 122) = ( 0.3275862 -0.1884631 0.4755789), wk = 0.0035971 k( 123) = ( 0.3448276 -0.1983823 0.4755789), wk = 0.0035971 k( 124) = ( 0.3620690 -0.2083014 0.4755789), wk = 0.0035971 k( 125) = ( 0.3793103 -0.2182205 0.4755789), wk = 0.0035971 k( 126) = ( 0.3965517 -0.2281396 0.4755789), wk = 0.0035971 k( 127) = ( 0.4137931 -0.2380587 0.4755789), wk = 0.0035971 k( 128) = ( 0.4310345 -0.2479778 0.4755789), wk = 0.0035971 k( 129) = ( 0.4482759 -0.2578969 0.4755789), wk = 0.0035971 k( 130) = ( 0.4655172 -0.2678160 0.4755789), wk = 0.0035971 k( 131) = ( 0.4827586 -0.2777352 0.4755789), wk = 0.0035971 k( 132) = ( 0.5000000 -0.2876543 0.4755789), wk = 0.0035971 k( 133) = ( 0.5000000 -0.2876543 0.4755789), wk = 0.0035971 k( 134) = ( 0.5098674 -0.2705028 0.4755789), wk = 0.0035971 k( 135) = ( 0.5197348 -0.2533513 0.4755789), wk = 0.0035971 k( 136) = ( 0.5296021 -0.2361999 0.4755790), wk = 0.0035971 k( 137) = ( 0.5394695 -0.2190484 0.4755789), wk = 0.0035971 k( 138) = ( 0.5493369 -0.2018969 0.4755790), wk = 0.0035971 k( 139) = ( 0.5592043 -0.1847455 0.4755790), wk = 0.0035971 k( 140) = ( 0.5690717 -0.1675940 0.4755789), wk = 0.0035971 k( 141) = ( 0.5789391 -0.1504426 0.4755789), wk = 0.0035971 k( 142) = ( 0.5888065 -0.1332911 0.4755790), wk = 0.0035971 k( 143) = ( 0.5986738 -0.1161396 0.4755790), wk = 0.0035971 k( 144) = ( 0.6085412 -0.0989882 0.4755790), wk = 0.0035971 k( 145) = ( 0.6184086 -0.0818367 0.4755789), wk = 0.0035971 k( 146) = ( 0.7161014 0.0879728 0.1724752), wk = 0.0035971 k( 147) = ( 0.7132281 0.0829784 0.1534148), wk = 0.0035971 k( 148) = ( 0.7103548 0.0779840 0.1343544), wk = 0.0035971 k( 149) = ( 0.7074815 0.0729896 0.1152940), wk = 0.0035971 k( 150) = ( 0.7046082 0.0679952 0.0962336), wk = 0.0035971 k( 151) = ( 0.7017349 0.0630008 0.0771732), wk = 0.0035971 k( 152) = ( 0.6988615 0.0580064 0.0581127), wk = 0.0035971 k( 153) = ( 0.6959882 0.0530120 0.0390523), wk = 0.0035971 k( 154) = ( 0.6931149 0.0480176 0.0199919), wk = 0.0035971 k( 155) = ( 0.6902416 0.0430232 0.0009315), wk = 0.0035971 k( 156) = ( 0.6873683 0.0380288 -0.0181289), wk = 0.0035971 k( 157) = ( 0.6844949 0.0330344 -0.0371894), wk = 0.0035971 k( 158) = ( 0.6816216 0.0280400 -0.0562498), wk = 0.0035971 k( 159) = ( 0.6787483 0.0230456 -0.0753102), wk = 0.0035971 k( 160) = ( 0.6758750 0.0180512 -0.0943706), wk = 0.0035971 k( 161) = ( 0.6730017 0.0130568 -0.1134310), wk = 0.0035971 k( 162) = ( 0.6701283 0.0080624 -0.1324914), wk = 0.0035971 k( 163) = ( 0.6672550 0.0030680 -0.1515518), wk = 0.0035971 k( 164) = ( 0.6672550 0.0030680 -0.1515518), wk = 0.0035971 k( 165) = ( 0.6584521 -0.0122331 -0.1435754), wk = 0.0035971 k( 166) = ( 0.6496492 -0.0275343 -0.1355990), wk = 0.0035971 k( 167) = ( 0.6408463 -0.0428355 -0.1276226), wk = 0.0035971 k( 168) = ( 0.6320434 -0.0581367 -0.1196462), wk = 0.0035971 k( 169) = ( 0.6232405 -0.0734378 -0.1116698), wk = 0.0035971 k( 170) = ( 0.6144376 -0.0887390 -0.1036934), wk = 0.0035971 k( 171) = ( 0.6056347 -0.1040402 -0.0957170), wk = 0.0035971 k( 172) = ( 0.5968319 -0.1193413 -0.0877406), wk = 0.0035971 k( 173) = ( 0.5880290 -0.1346425 -0.0797641), wk = 0.0035971 k( 174) = ( 0.5792261 -0.1499437 -0.0717877), wk = 0.0035971 k( 175) = ( 0.5704232 -0.1652449 -0.0638113), wk = 0.0035971 k( 176) = ( 0.5616203 -0.1805460 -0.0558349), wk = 0.0035971 k( 177) = ( 0.5528174 -0.1958472 -0.0478585), wk = 0.0035971 k( 178) = ( 0.5440145 -0.2111484 -0.0398821), wk = 0.0035971 k( 179) = ( 0.5352116 -0.2264496 -0.0319056), wk = 0.0035971 k( 180) = ( 0.5264087 -0.2417507 -0.0239292), wk = 0.0035971 k( 181) = ( 0.5176058 -0.2570519 -0.0159528), wk = 0.0035971 k( 182) = ( 0.5088029 -0.2723531 -0.0079764), wk = 0.0035971 k( 183) = ( 0.5000000 -0.2876543 0.0000000), wk = 0.0035971 k( 184) = ( 0.5000000 -0.2876543 0.0000000), wk = 0.0035971 k( 185) = ( 0.4827586 -0.2777352 0.0000000), wk = 0.0035971 k( 186) = ( 0.4655172 -0.2678160 -0.0000000), wk = 0.0035971 k( 187) = ( 0.4482759 -0.2578969 0.0000000), wk = 0.0035971 k( 188) = ( 0.4310345 -0.2479778 -0.0000000), wk = 0.0035971 k( 189) = ( 0.4137931 -0.2380587 -0.0000000), wk = 0.0035971 k( 190) = ( 0.3965517 -0.2281396 0.0000000), wk = 0.0035971 k( 191) = ( 0.3793103 -0.2182205 -0.0000000), wk = 0.0035971 k( 192) = ( 0.3620690 -0.2083014 0.0000000), wk = 0.0035971 k( 193) = ( 0.3448276 -0.1983823 -0.0000000), wk = 0.0035971 k( 194) = ( 0.3275862 -0.1884631 0.0000000), wk = 0.0035971 k( 195) = ( 0.3103448 -0.1785440 -0.0000000), wk = 0.0035971 k( 196) = ( 0.2931034 -0.1686249 0.0000000), wk = 0.0035971 k( 197) = ( 0.2758621 -0.1587058 0.0000000), wk = 0.0035971 k( 198) = ( 0.2586207 -0.1487867 -0.0000000), wk = 0.0035971 k( 199) = ( 0.2413793 -0.1388676 0.0000000), wk = 0.0035971 k( 200) = ( 0.2241379 -0.1289485 0.0000000), wk = 0.0035971 k( 201) = ( 0.2068966 -0.1190294 -0.0000000), wk = 0.0035971 k( 202) = ( 0.1896552 -0.1091102 -0.0000000), wk = 0.0035971 k( 203) = ( 0.1724138 -0.0991911 0.0000000), wk = 0.0035971 k( 204) = ( 0.1551724 -0.0892720 0.0000000), wk = 0.0035971 k( 205) = ( 0.1379310 -0.0793529 0.0000000), wk = 0.0035971 k( 206) = ( 0.1206897 -0.0694338 0.0000000), wk = 0.0035971 k( 207) = ( 0.1034483 -0.0595147 0.0000000), wk = 0.0035971 k( 208) = ( 0.0862069 -0.0495956 -0.0000000), wk = 0.0035971 k( 209) = ( 0.0689655 -0.0396765 -0.0000000), wk = 0.0035971 k( 210) = ( 0.0517241 -0.0297573 0.0000000), wk = 0.0035971 k( 211) = ( 0.0344828 -0.0198382 -0.0000000), wk = 0.0035971 k( 212) = ( 0.0172414 -0.0099191 -0.0000000), wk = 0.0035971 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 215) = ( 0.0166667 0.0096907 -0.0050517), wk = 0.0035971 k( 216) = ( 0.0333333 0.0193815 -0.0101035), wk = 0.0035971 k( 217) = ( 0.0500000 0.0290722 -0.0151552), wk = 0.0035971 k( 218) = ( 0.0666667 0.0387630 -0.0202069), wk = 0.0035971 k( 219) = ( 0.0833333 0.0484537 -0.0252586), wk = 0.0035971 k( 220) = ( 0.1000000 0.0581445 -0.0303104), wk = 0.0035971 k( 221) = ( 0.1166667 0.0678352 -0.0353621), wk = 0.0035971 k( 222) = ( 0.1333333 0.0775259 -0.0404138), wk = 0.0035971 k( 223) = ( 0.1500000 0.0872167 -0.0454656), wk = 0.0035971 k( 224) = ( 0.1666667 0.0969074 -0.0505173), wk = 0.0035971 k( 225) = ( 0.1833333 0.1065982 -0.0555690), wk = 0.0035971 k( 226) = ( 0.2000000 0.1162889 -0.0606207), wk = 0.0035971 k( 227) = ( 0.2166667 0.1259797 -0.0656725), wk = 0.0035971 k( 228) = ( 0.2333333 0.1356704 -0.0707242), wk = 0.0035971 k( 229) = ( 0.2500000 0.1453612 -0.0757759), wk = 0.0035971 k( 230) = ( 0.2666667 0.1550519 -0.0808277), wk = 0.0035971 k( 231) = ( 0.2833333 0.1647426 -0.0858794), wk = 0.0035971 k( 232) = ( 0.3000000 0.1744334 -0.0909311), wk = 0.0035971 k( 233) = ( 0.3166667 0.1841241 -0.0959828), wk = 0.0035971 k( 234) = ( 0.3333333 0.1938149 -0.1010346), wk = 0.0035971 k( 235) = ( 0.3500000 0.2035056 -0.1060863), wk = 0.0035971 k( 236) = ( 0.3666667 0.2131964 -0.1111380), wk = 0.0035971 k( 237) = ( 0.3833333 0.2228871 -0.1161898), wk = 0.0035971 k( 238) = ( 0.4000000 0.2325778 -0.1212415), wk = 0.0035971 k( 239) = ( 0.4166667 0.2422686 -0.1262932), wk = 0.0035971 k( 240) = ( 0.4333333 0.2519593 -0.1313449), wk = 0.0035971 k( 241) = ( 0.4500000 0.2616501 -0.1363967), wk = 0.0035971 k( 242) = ( 0.4666667 0.2713408 -0.1414484), wk = 0.0035971 k( 243) = ( 0.4833333 0.2810316 -0.1465001), wk = 0.0035971 k( 244) = ( 0.5000000 0.2907223 -0.1515519), wk = 0.0035971 k( 245) = ( 0.5000000 0.2907223 0.3240271), wk = 0.0035971 k( 246) = ( 0.4848485 0.2819125 0.3142081), wk = 0.0035971 k( 247) = ( 0.4696970 0.2731028 0.3043891), wk = 0.0035971 k( 248) = ( 0.4545455 0.2642930 0.2945701), wk = 0.0035971 k( 249) = ( 0.4393939 0.2554832 0.2847511), wk = 0.0035971 k( 250) = ( 0.4242424 0.2466735 0.2749321), wk = 0.0035971 k( 251) = ( 0.4090909 0.2378637 0.2651131), wk = 0.0035971 k( 252) = ( 0.3939394 0.2290539 0.2552941), wk = 0.0035971 k( 253) = ( 0.3787879 0.2202442 0.2454751), wk = 0.0035971 k( 254) = ( 0.3636364 0.2114344 0.2356561), wk = 0.0035971 k( 255) = ( 0.3484849 0.2026246 0.2258371), wk = 0.0035971 k( 256) = ( 0.3333333 0.1938149 0.2160181), wk = 0.0035971 k( 257) = ( 0.3181818 0.1850051 0.2061991), wk = 0.0035971 k( 258) = ( 0.3030303 0.1761953 0.1963801), wk = 0.0035971 k( 259) = ( 0.2878788 0.1673856 0.1865611), wk = 0.0035971 k( 260) = ( 0.2727273 0.1585758 0.1767420), wk = 0.0035971 k( 261) = ( 0.2575758 0.1497660 0.1669230), wk = 0.0035971 k( 262) = ( 0.2424242 0.1409563 0.1571040), wk = 0.0035971 k( 263) = ( 0.2272727 0.1321465 0.1472850), wk = 0.0035971 k( 264) = ( 0.2121212 0.1233367 0.1374660), wk = 0.0035971 k( 265) = ( 0.1969697 0.1145270 0.1276470), wk = 0.0035971 k( 266) = ( 0.1818182 0.1057172 0.1178280), wk = 0.0035971 k( 267) = ( 0.1666667 0.0969074 0.1080090), wk = 0.0035971 k( 268) = ( 0.1515151 0.0880977 0.0981900), wk = 0.0035971 k( 269) = ( 0.1363636 0.0792879 0.0883710), wk = 0.0035971 k( 270) = ( 0.1212121 0.0704781 0.0785520), wk = 0.0035971 k( 271) = ( 0.1060606 0.0616684 0.0687330), wk = 0.0035971 k( 272) = ( 0.0909091 0.0528586 0.0589140), wk = 0.0035971 k( 273) = ( 0.0757576 0.0440488 0.0490950), wk = 0.0035971 k( 274) = ( 0.0606061 0.0352391 0.0392760), wk = 0.0035971 k( 275) = ( 0.0454546 0.0264293 0.0294570), wk = 0.0035971 k( 276) = ( 0.0303030 0.0176195 0.0196380), wk = 0.0035971 k( 277) = ( 0.0151515 0.0088098 0.0098190), wk = 0.0035971 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0097866 0.0097866 0.0015511), wk = 0.0035971 k( 3) = ( 0.0195732 0.0195732 0.0031021), wk = 0.0035971 k( 4) = ( 0.0293598 0.0293599 0.0046532), wk = 0.0035971 k( 5) = ( 0.0391465 0.0391465 0.0062043), wk = 0.0035971 k( 6) = ( 0.0489331 0.0489331 0.0077554), wk = 0.0035971 k( 7) = ( 0.0587197 0.0587197 0.0093064), wk = 0.0035971 k( 8) = ( 0.0685063 0.0685063 0.0108575), wk = 0.0035971 k( 9) = ( 0.0782929 0.0782929 0.0124086), wk = 0.0035971 k( 10) = ( 0.0880796 0.0880795 0.0139596), wk = 0.0035971 k( 11) = ( 0.0978662 0.0978662 0.0155107), wk = 0.0035971 k( 12) = ( 0.1076528 0.1076528 0.0170618), wk = 0.0035971 k( 13) = ( 0.1174394 0.1174394 0.0186128), wk = 0.0035971 k( 14) = ( 0.1272260 0.1272260 0.0201639), wk = 0.0035971 k( 15) = ( 0.1370126 0.1370126 0.0217150), wk = 0.0035971 k( 16) = ( 0.1467992 0.1467993 0.0232661), wk = 0.0035971 k( 17) = ( 0.1565859 0.1565859 0.0248171), wk = 0.0035971 k( 18) = ( 0.1663725 0.1663725 0.0263682), wk = 0.0035971 k( 19) = ( 0.1761591 0.1761591 0.0279193), wk = 0.0035971 k( 20) = ( 0.1859457 0.1859457 0.0294703), wk = 0.0035971 k( 21) = ( 0.1957323 0.1957323 0.0310214), wk = 0.0035971 k( 22) = ( 0.2055190 0.2055190 0.0325725), wk = 0.0035971 k( 23) = ( 0.2153056 0.2153056 0.0341235), wk = 0.0035971 k( 24) = ( 0.2250922 0.2250922 0.0356746), wk = 0.0035971 k( 25) = ( 0.2348788 0.2348788 0.0372257), wk = 0.0035971 k( 26) = ( 0.2446654 0.2446654 0.0387768), wk = 0.0035971 k( 27) = ( 0.2544520 0.2544520 0.0403278), wk = 0.0035971 k( 28) = ( 0.2642387 0.2642387 0.0418789), wk = 0.0035971 k( 29) = ( 0.2740253 0.2740253 0.0434300), wk = 0.0035971 k( 30) = ( 0.2838119 0.2838119 0.0449810), wk = 0.0035971 k( 31) = ( 0.2935985 0.2935985 0.0465321), wk = 0.0035971 k( 32) = ( 0.3033851 0.3033851 0.0480832), wk = 0.0035971 k( 33) = ( 0.3131717 0.3131717 0.0496342), wk = 0.0035971 k( 34) = ( 0.3229584 0.3229584 0.0511853), wk = 0.0035971 k( 35) = ( 0.3327450 0.3327450 0.0527364), wk = 0.0035971 k( 36) = ( 0.3327450 0.3327450 0.0527364), wk = 0.0035971 k( 37) = ( 0.3356183 0.3356183 0.0746068), wk = 0.0035971 k( 38) = ( 0.3384916 0.3384916 0.0964773), wk = 0.0035971 k( 39) = ( 0.3413649 0.3413649 0.1183477), wk = 0.0035971 k( 40) = ( 0.3442383 0.3442382 0.1402182), wk = 0.0035971 k( 41) = ( 0.3471116 0.3471116 0.1620886), wk = 0.0035971 k( 42) = ( 0.3499849 0.3499849 0.1839590), wk = 0.0035971 k( 43) = ( 0.3528582 0.3528582 0.2058295), wk = 0.0035971 k( 44) = ( 0.3557315 0.3557315 0.2276999), wk = 0.0035971 k( 45) = ( 0.3586048 0.3586048 0.2495704), wk = 0.0035971 k( 46) = ( 0.3614782 0.3614782 0.2714408), wk = 0.0035971 k( 47) = ( 0.3643515 0.3643515 0.2933112), wk = 0.0035971 k( 48) = ( 0.3672248 0.3672248 0.3151817), wk = 0.0035971 k( 49) = ( 0.3700981 0.3700981 0.3370521), wk = 0.0035971 k( 50) = ( 0.3729714 0.3729714 0.3589226), wk = 0.0035971 k( 51) = ( 0.3758448 0.3758448 0.3807930), wk = 0.0035971 k( 52) = ( 0.3787181 0.3787181 0.4026635), wk = 0.0035971 k( 53) = ( 0.3815914 0.3815914 0.4245339), wk = 0.0035971 k( 54) = ( 0.3815914 0.3815914 0.4245339), wk = 0.0035971 k( 55) = ( 0.3761640 0.3761640 0.4387786), wk = 0.0035971 k( 56) = ( 0.3707366 0.3707366 0.4530233), wk = 0.0035971 k( 57) = ( 0.3653092 0.3653092 0.4672681), wk = 0.0035971 k( 58) = ( 0.3598819 0.3598819 0.4815128), wk = 0.0035971 k( 59) = ( 0.3544545 0.3544545 0.4957575), wk = 0.0035971 k( 60) = ( 0.3490271 0.3490271 0.5100022), wk = 0.0035971 k( 61) = ( 0.3435997 0.3435997 0.5242469), wk = 0.0035971 k( 62) = ( 0.3381724 0.3381724 0.5384916), wk = 0.0035971 k( 63) = ( 0.3327450 0.3327450 0.5527364), wk = 0.0035971 k( 64) = ( 0.3273176 0.3273176 0.5669811), wk = 0.0035971 k( 65) = ( 0.3218902 0.3218902 0.5812258), wk = 0.0035971 k( 66) = ( 0.3164628 0.3164628 0.5954705), wk = 0.0035971 k( 67) = ( 0.3110355 0.3110355 0.6097153), wk = 0.0035971 k( 68) = ( 0.3056081 0.3056081 0.6239600), wk = 0.0035971 k( 69) = ( 0.3001807 0.3001807 0.6382047), wk = 0.0035971 k( 70) = ( 0.2947533 0.2947533 0.6524494), wk = 0.0035971 k( 71) = ( 0.2893259 0.2893259 0.6666941), wk = 0.0035971 k( 72) = ( 0.2838986 0.2838986 0.6809388), wk = 0.0035971 k( 73) = ( 0.2838986 0.2838986 0.6809388), wk = 0.0035971 k( 74) = ( 0.2741090 0.2741089 0.6746996), wk = 0.0035971 k( 75) = ( 0.2643194 0.2643194 0.6684603), wk = 0.0035971 k( 76) = ( 0.2545297 0.2545297 0.6622210), wk = 0.0035971 k( 77) = ( 0.2447401 0.2447401 0.6559818), wk = 0.0035971 k( 78) = ( 0.2349505 0.2349505 0.6497425), wk = 0.0035971 k( 79) = ( 0.2251609 0.2251609 0.6435032), wk = 0.0035971 k( 80) = ( 0.2153713 0.2153713 0.6372640), wk = 0.0035971 k( 81) = ( 0.2055817 0.2055817 0.6310247), wk = 0.0035971 k( 82) = ( 0.1957921 0.1957921 0.6247854), wk = 0.0035971 k( 83) = ( 0.1860025 0.1860025 0.6185461), wk = 0.0035971 k( 84) = ( 0.1762129 0.1762129 0.6123069), wk = 0.0035971 k( 85) = ( 0.1664233 0.1664233 0.6060676), wk = 0.0035971 k( 86) = ( 0.1566337 0.1566337 0.5998283), wk = 0.0035971 k( 87) = ( 0.1468441 0.1468441 0.5935891), wk = 0.0035971 k( 88) = ( 0.1370545 0.1370545 0.5873498), wk = 0.0035971 k( 89) = ( 0.1272649 0.1272649 0.5811105), wk = 0.0035971 k( 90) = ( 0.1174753 0.1174753 0.5748712), wk = 0.0035971 k( 91) = ( 0.1076857 0.1076857 0.5686320), wk = 0.0035971 k( 92) = ( 0.0978961 0.0978961 0.5623927), wk = 0.0035971 k( 93) = ( 0.0881065 0.0881065 0.5561534), wk = 0.0035971 k( 94) = ( 0.0783168 0.0783168 0.5499142), wk = 0.0035971 k( 95) = ( 0.0685272 0.0685272 0.5436749), wk = 0.0035971 k( 96) = ( 0.0587376 0.0587376 0.5374356), wk = 0.0035971 k( 97) = ( 0.0489480 0.0489480 0.5311963), wk = 0.0035971 k( 98) = ( 0.0391584 0.0391584 0.5249571), wk = 0.0035971 k( 99) = ( 0.0293688 0.0293688 0.5187178), wk = 0.0035971 k( 100) = ( 0.0195792 0.0195792 0.5124785), wk = 0.0035971 k( 101) = ( 0.0097896 0.0097896 0.5062393), wk = 0.0035971 k( 102) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035971 k( 103) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035971 k( 104) = ( 0.0172414 -0.0172414 0.5000000), wk = 0.0035971 k( 105) = ( 0.0344828 -0.0344828 0.5000000), wk = 0.0035971 k( 106) = ( 0.0517241 -0.0517241 0.5000000), wk = 0.0035971 k( 107) = ( 0.0689655 -0.0689655 0.5000000), wk = 0.0035971 k( 108) = ( 0.0862069 -0.0862069 0.5000000), wk = 0.0035971 k( 109) = ( 0.1034483 -0.1034483 0.5000000), wk = 0.0035971 k( 110) = ( 0.1206897 -0.1206897 0.5000000), wk = 0.0035971 k( 111) = ( 0.1379310 -0.1379310 0.5000000), wk = 0.0035971 k( 112) = ( 0.1551724 -0.1551724 0.5000000), wk = 0.0035971 k( 113) = ( 0.1724138 -0.1724138 0.5000000), wk = 0.0035971 k( 114) = ( 0.1896552 -0.1896552 0.5000000), wk = 0.0035971 k( 115) = ( 0.2068966 -0.2068966 0.5000000), wk = 0.0035971 k( 116) = ( 0.2241379 -0.2241379 0.5000000), wk = 0.0035971 k( 117) = ( 0.2413793 -0.2413793 0.5000000), wk = 0.0035971 k( 118) = ( 0.2586207 -0.2586207 0.5000000), wk = 0.0035971 k( 119) = ( 0.2758621 -0.2758621 0.5000000), wk = 0.0035971 k( 120) = ( 0.2931034 -0.2931035 0.5000000), wk = 0.0035971 k( 121) = ( 0.3103448 -0.3103448 0.5000000), wk = 0.0035971 k( 122) = ( 0.3275862 -0.3275862 0.5000000), wk = 0.0035971 k( 123) = ( 0.3448276 -0.3448276 0.5000000), wk = 0.0035971 k( 124) = ( 0.3620690 -0.3620690 0.5000000), wk = 0.0035971 k( 125) = ( 0.3793103 -0.3793103 0.5000000), wk = 0.0035971 k( 126) = ( 0.3965517 -0.3965517 0.5000000), wk = 0.0035971 k( 127) = ( 0.4137931 -0.4137931 0.5000000), wk = 0.0035971 k( 128) = ( 0.4310345 -0.4310345 0.5000000), wk = 0.0035971 k( 129) = ( 0.4482759 -0.4482759 0.5000000), wk = 0.0035971 k( 130) = ( 0.4655172 -0.4655172 0.5000000), wk = 0.0035971 k( 131) = ( 0.4827586 -0.4827586 0.5000000), wk = 0.0035971 k( 132) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0035971 k( 133) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0035971 k( 134) = ( 0.5098674 -0.4901326 0.5062888), wk = 0.0035971 k( 135) = ( 0.5197348 -0.4802652 0.5125777), wk = 0.0035971 k( 136) = ( 0.5296021 -0.4703979 0.5188665), wk = 0.0035971 k( 137) = ( 0.5394695 -0.4605305 0.5251554), wk = 0.0035971 k( 138) = ( 0.5493369 -0.4506631 0.5314442), wk = 0.0035971 k( 139) = ( 0.5592043 -0.4407957 0.5377331), wk = 0.0035971 k( 140) = ( 0.5690717 -0.4309283 0.5440219), wk = 0.0035971 k( 141) = ( 0.5789391 -0.4210609 0.5503107), wk = 0.0035971 k( 142) = ( 0.5888065 -0.4111935 0.5565996), wk = 0.0035971 k( 143) = ( 0.5986738 -0.4013262 0.5628884), wk = 0.0035971 k( 144) = ( 0.6085412 -0.3914588 0.5691773), wk = 0.0035971 k( 145) = ( 0.6184086 -0.3815914 0.5754661), wk = 0.0035971 k( 146) = ( 0.7161014 -0.2838986 0.3190612), wk = 0.0035971 k( 147) = ( 0.7132281 -0.2867719 0.2971907), wk = 0.0035971 k( 148) = ( 0.7103548 -0.2896452 0.2753203), wk = 0.0035971 k( 149) = ( 0.7074815 -0.2925185 0.2534498), wk = 0.0035971 k( 150) = ( 0.7046082 -0.2953918 0.2315794), wk = 0.0035971 k( 151) = ( 0.7017349 -0.2982652 0.2097089), wk = 0.0035971 k( 152) = ( 0.6988615 -0.3011385 0.1878385), wk = 0.0035971 k( 153) = ( 0.6959882 -0.3040118 0.1659681), wk = 0.0035971 k( 154) = ( 0.6931149 -0.3068851 0.1440976), wk = 0.0035971 k( 155) = ( 0.6902416 -0.3097584 0.1222272), wk = 0.0035971 k( 156) = ( 0.6873683 -0.3126318 0.1003567), wk = 0.0035971 k( 157) = ( 0.6844949 -0.3155051 0.0784863), wk = 0.0035971 k( 158) = ( 0.6816216 -0.3183784 0.0566158), wk = 0.0035971 k( 159) = ( 0.6787483 -0.3212517 0.0347454), wk = 0.0035971 k( 160) = ( 0.6758750 -0.3241250 0.0128749), wk = 0.0035971 k( 161) = ( 0.6730017 -0.3269983 -0.0089955), wk = 0.0035971 k( 162) = ( 0.6701283 -0.3298717 -0.0308659), wk = 0.0035971 k( 163) = ( 0.6672550 -0.3327450 -0.0527364), wk = 0.0035971 k( 164) = ( 0.6672550 -0.3327450 -0.0527364), wk = 0.0035971 k( 165) = ( 0.6584521 -0.3415479 -0.0499608), wk = 0.0035971 k( 166) = ( 0.6496492 -0.3503508 -0.0471852), wk = 0.0035971 k( 167) = ( 0.6408463 -0.3591537 -0.0444096), wk = 0.0035971 k( 168) = ( 0.6320434 -0.3679566 -0.0416340), wk = 0.0035971 k( 169) = ( 0.6232405 -0.3767595 -0.0388584), wk = 0.0035971 k( 170) = ( 0.6144376 -0.3855624 -0.0360828), wk = 0.0035971 k( 171) = ( 0.6056347 -0.3943653 -0.0333072), wk = 0.0035971 k( 172) = ( 0.5968319 -0.4031681 -0.0305316), wk = 0.0035971 k( 173) = ( 0.5880290 -0.4119710 -0.0277560), wk = 0.0035971 k( 174) = ( 0.5792261 -0.4207739 -0.0249804), wk = 0.0035971 k( 175) = ( 0.5704232 -0.4295768 -0.0222048), wk = 0.0035971 k( 176) = ( 0.5616203 -0.4383797 -0.0194292), wk = 0.0035971 k( 177) = ( 0.5528174 -0.4471826 -0.0166536), wk = 0.0035971 k( 178) = ( 0.5440145 -0.4559855 -0.0138780), wk = 0.0035971 k( 179) = ( 0.5352116 -0.4647884 -0.0111024), wk = 0.0035971 k( 180) = ( 0.5264087 -0.4735913 -0.0083268), wk = 0.0035971 k( 181) = ( 0.5176058 -0.4823942 -0.0055512), wk = 0.0035971 k( 182) = ( 0.5088029 -0.4911971 -0.0027756), wk = 0.0035971 k( 183) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0035971 k( 184) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0035971 k( 185) = ( 0.4827586 -0.4827586 0.0000000), wk = 0.0035971 k( 186) = ( 0.4655172 -0.4655172 0.0000000), wk = 0.0035971 k( 187) = ( 0.4482759 -0.4482759 -0.0000000), wk = 0.0035971 k( 188) = ( 0.4310345 -0.4310345 -0.0000000), wk = 0.0035971 k( 189) = ( 0.4137931 -0.4137931 -0.0000000), wk = 0.0035971 k( 190) = ( 0.3965517 -0.3965517 -0.0000000), wk = 0.0035971 k( 191) = ( 0.3793103 -0.3793103 -0.0000000), wk = 0.0035971 k( 192) = ( 0.3620690 -0.3620690 -0.0000000), wk = 0.0035971 k( 193) = ( 0.3448276 -0.3448276 -0.0000000), wk = 0.0035971 k( 194) = ( 0.3275862 -0.3275862 0.0000000), wk = 0.0035971 k( 195) = ( 0.3103448 -0.3103448 -0.0000000), wk = 0.0035971 k( 196) = ( 0.2931034 -0.2931035 -0.0000000), wk = 0.0035971 k( 197) = ( 0.2758621 -0.2758621 0.0000000), wk = 0.0035971 k( 198) = ( 0.2586207 -0.2586207 -0.0000000), wk = 0.0035971 k( 199) = ( 0.2413793 -0.2413793 0.0000000), wk = 0.0035971 k( 200) = ( 0.2241379 -0.2241379 -0.0000000), wk = 0.0035971 k( 201) = ( 0.2068966 -0.2068966 -0.0000000), wk = 0.0035971 k( 202) = ( 0.1896552 -0.1896552 -0.0000000), wk = 0.0035971 k( 203) = ( 0.1724138 -0.1724138 0.0000000), wk = 0.0035971 k( 204) = ( 0.1551724 -0.1551724 -0.0000000), wk = 0.0035971 k( 205) = ( 0.1379310 -0.1379310 0.0000000), wk = 0.0035971 k( 206) = ( 0.1206897 -0.1206897 0.0000000), wk = 0.0035971 k( 207) = ( 0.1034483 -0.1034483 0.0000000), wk = 0.0035971 k( 208) = ( 0.0862069 -0.0862069 -0.0000000), wk = 0.0035971 k( 209) = ( 0.0689655 -0.0689655 -0.0000000), wk = 0.0035971 k( 210) = ( 0.0517241 -0.0517241 0.0000000), wk = 0.0035971 k( 211) = ( 0.0344828 -0.0344828 -0.0000000), wk = 0.0035971 k( 212) = ( 0.0172414 -0.0172414 -0.0000000), wk = 0.0035971 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 215) = ( 0.0166667 -0.0000000 0.0000000), wk = 0.0035971 k( 216) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0035971 k( 217) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0035971 k( 218) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0035971 k( 219) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0035971 k( 220) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0035971 k( 221) = ( 0.1166667 -0.0000000 -0.0000000), wk = 0.0035971 k( 222) = ( 0.1333333 -0.0000000 0.0000000), wk = 0.0035971 k( 223) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0035971 k( 224) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0035971 k( 225) = ( 0.1833333 -0.0000000 -0.0000000), wk = 0.0035971 k( 226) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0035971 k( 227) = ( 0.2166667 -0.0000000 0.0000000), wk = 0.0035971 k( 228) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0035971 k( 229) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0035971 k( 230) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0035971 k( 231) = ( 0.2833333 -0.0000000 -0.0000000), wk = 0.0035971 k( 232) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0035971 k( 233) = ( 0.3166667 -0.0000000 -0.0000000), wk = 0.0035971 k( 234) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0035971 k( 235) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0035971 k( 236) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0035971 k( 237) = ( 0.3833333 -0.0000000 -0.0000000), wk = 0.0035971 k( 238) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0035971 k( 239) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0035971 k( 240) = ( 0.4333333 -0.0000000 0.0000000), wk = 0.0035971 k( 241) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0035971 k( 242) = ( 0.4666667 -0.0000000 0.0000000), wk = 0.0035971 k( 243) = ( 0.4833333 -0.0000000 -0.0000000), wk = 0.0035971 k( 244) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035971 k( 245) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0035971 k( 246) = ( 0.4848485 -0.0000000 0.4848485), wk = 0.0035971 k( 247) = ( 0.4696970 -0.0000000 0.4696970), wk = 0.0035971 k( 248) = ( 0.4545455 -0.0000000 0.4545455), wk = 0.0035971 k( 249) = ( 0.4393939 -0.0000000 0.4393939), wk = 0.0035971 k( 250) = ( 0.4242424 -0.0000000 0.4242424), wk = 0.0035971 k( 251) = ( 0.4090909 -0.0000000 0.4090909), wk = 0.0035971 k( 252) = ( 0.3939394 -0.0000000 0.3939394), wk = 0.0035971 k( 253) = ( 0.3787879 -0.0000000 0.3787879), wk = 0.0035971 k( 254) = ( 0.3636364 -0.0000000 0.3636364), wk = 0.0035971 k( 255) = ( 0.3484849 -0.0000000 0.3484849), wk = 0.0035971 k( 256) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0035971 k( 257) = ( 0.3181818 -0.0000000 0.3181818), wk = 0.0035971 k( 258) = ( 0.3030303 -0.0000000 0.3030303), wk = 0.0035971 k( 259) = ( 0.2878788 -0.0000000 0.2878788), wk = 0.0035971 k( 260) = ( 0.2727273 -0.0000000 0.2727273), wk = 0.0035971 k( 261) = ( 0.2575758 -0.0000000 0.2575758), wk = 0.0035971 k( 262) = ( 0.2424242 -0.0000000 0.2424242), wk = 0.0035971 k( 263) = ( 0.2272727 -0.0000000 0.2272727), wk = 0.0035971 k( 264) = ( 0.2121212 -0.0000000 0.2121212), wk = 0.0035971 k( 265) = ( 0.1969697 -0.0000000 0.1969697), wk = 0.0035971 k( 266) = ( 0.1818182 -0.0000000 0.1818182), wk = 0.0035971 k( 267) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0035971 k( 268) = ( 0.1515151 -0.0000000 0.1515151), wk = 0.0035971 k( 269) = ( 0.1363636 -0.0000000 0.1363636), wk = 0.0035971 k( 270) = ( 0.1212121 -0.0000000 0.1212121), wk = 0.0035971 k( 271) = ( 0.1060606 -0.0000000 0.1060606), wk = 0.0035971 k( 272) = ( 0.0909091 -0.0000000 0.0909091), wk = 0.0035971 k( 273) = ( 0.0757576 -0.0000000 0.0757576), wk = 0.0035971 k( 274) = ( 0.0606061 -0.0000000 0.0606061), wk = 0.0035971 k( 275) = ( 0.0454546 -0.0000000 0.0454546), wk = 0.0035971 k( 276) = ( 0.0303030 -0.0000000 0.0303030), wk = 0.0035971 k( 277) = ( 0.0151515 -0.0000000 0.0151515), wk = 0.0035971 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 Dense grid: 436849 G-vectors FFT dimensions: ( 100, 100, 108) Smooth grid: 70837 G-vectors FFT dimensions: ( 54, 54, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 260, 84) NL pseudopotentials 0.44 Mb ( 130, 220) Each V/rho on FFT grid 0.31 Mb ( 20000) Each G-vector array 0.05 Mb ( 6069) G-vector shells 0.05 Mb ( 6069) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.33 Mb ( 260, 336) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.56 Mb ( 220, 2, 84) The potential is recalculated from file : ./VAgxPSe3x2.save/charge-density.dat Starting wfc are 102 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.4 secs Computing kpt #: 2 total cpu time spent up to now is 8.2 secs Computing kpt #: 3 total cpu time spent up to now is 9.9 secs Computing kpt #: 4 total cpu time spent up to now is 11.9 secs Computing kpt #: 5 total cpu time spent up to now is 13.8 secs Computing kpt #: 6 total cpu time spent up to now is 16.1 secs Computing kpt #: 7 total cpu time spent up to now is 18.5 secs Computing kpt #: 8 total cpu time spent up to now is 21.0 secs Computing kpt #: 9 total cpu time spent up to now is 24.1 secs Computing kpt #: 10 total cpu time spent up to now is 28.1 secs Computing kpt #: 11 total cpu time spent up to now is 30.1 secs Computing kpt #: 12 total cpu time spent up to now is 32.7 secs Computing kpt #: 13 total cpu time spent up to now is 34.7 secs Computing kpt #: 14 total cpu time spent up to now is 37.1 secs Computing kpt #: 15 total cpu time spent up to now is 39.6 secs Computing kpt #: 16 total cpu time spent up to now is 42.1 secs Computing kpt #: 17 total cpu time spent up to now is 44.6 secs Computing kpt #: 18 total cpu time spent up to now is 47.1 secs Computing kpt #: 19 total cpu time spent up to now is 49.6 secs Computing kpt #: 20 total cpu time spent up to now is 52.1 secs Computing kpt #: 21 total cpu time spent up to now is 54.4 secs Computing kpt #: 22 total cpu time spent up to now is 57.5 secs Computing kpt #: 23 total cpu time spent up to now is 60.0 secs Computing kpt #: 24 total cpu time spent up to now is 62.3 secs Computing kpt #: 25 total cpu time spent up to now is 64.1 secs Computing kpt #: 26 total cpu time spent up to now is 66.0 secs Computing kpt #: 27 total cpu time spent up to now is 68.0 secs Computing kpt #: 28 total cpu time spent up to now is 70.4 secs Computing kpt #: 29 total cpu time spent up to now is 72.4 secs Computing kpt #: 30 total cpu time spent up to now is 74.4 secs Computing kpt #: 31 total cpu time spent up to now is 76.8 secs Computing kpt #: 32 total cpu time spent up to now is 79.2 secs Computing kpt #: 33 total cpu time spent up to now is 81.6 secs Computing kpt #: 34 total cpu time spent up to now is 83.8 secs Computing kpt #: 35 total cpu time spent up to now is 86.0 secs Computing kpt #: 36 total cpu time spent up to now is 88.2 secs Computing kpt #: 37 total cpu time spent up to now is 90.3 secs Computing kpt #: 38 total cpu time spent up to now is 92.6 secs Computing kpt #: 39 total cpu time spent up to now is 95.0 secs Computing kpt #: 40 total cpu time spent up to now is 97.4 secs Computing kpt #: 41 total cpu time spent up to now is 99.3 secs Computing kpt #: 42 total cpu time spent up to now is 101.7 secs Computing kpt #: 43 total cpu time spent up to now is 104.1 secs Computing kpt #: 44 total cpu time spent up to now is 106.0 secs Computing kpt #: 45 total cpu time spent up to now is 108.6 secs Computing kpt #: 46 total cpu time spent up to now is 111.2 secs Computing kpt #: 47 total cpu time spent up to now is 113.7 secs Computing kpt #: 48 total cpu time spent up to now is 116.2 secs Computing kpt #: 49 total cpu time spent up to now is 118.0 secs Computing kpt #: 50 total cpu time spent up to now is 120.4 secs Computing kpt #: 51 total cpu time spent up to now is 122.9 secs Computing kpt #: 52 total cpu time spent up to now is 125.2 secs Computing kpt #: 53 total cpu time spent up to now is 127.6 secs Computing kpt #: 54 total cpu time spent up to now is 130.0 secs Computing kpt #: 55 total cpu time spent up to now is 132.3 secs Computing kpt #: 56 total cpu time spent up to now is 134.8 secs Computing kpt #: 57 total cpu time spent up to now is 137.4 secs Computing kpt #: 58 total cpu time spent up to now is 140.0 secs Computing kpt #: 59 total cpu time spent up to now is 142.5 secs Computing kpt #: 60 total cpu time spent up to now is 145.0 secs Computing kpt #: 61 total cpu time spent up to now is 147.3 secs Computing kpt #: 62 total cpu time spent up to now is 149.6 secs Computing kpt #: 63 total cpu time spent up to now is 151.8 secs Computing kpt #: 64 total cpu time spent up to now is 153.8 secs Computing kpt #: 65 total cpu time spent up to now is 156.0 secs Computing kpt #: 66 total cpu time spent up to now is 158.2 secs Computing kpt #: 67 total cpu time spent up to now is 160.2 secs Computing kpt #: 68 total cpu time spent up to now is 162.0 secs Computing kpt #: 69 total cpu time spent up to now is 163.9 secs Computing kpt #: 70 total cpu time spent up to now is 166.1 secs Computing kpt #: 71 total cpu time spent up to now is 167.9 secs Computing kpt #: 72 total cpu time spent up to now is 169.7 secs Computing kpt #: 73 total cpu time spent up to now is 171.5 secs Computing kpt #: 74 total cpu time spent up to now is 173.3 secs Computing kpt #: 75 total cpu time spent up to now is 175.2 secs Computing kpt #: 76 total cpu time spent up to now is 177.1 secs Computing kpt #: 77 total cpu time spent up to now is 179.0 secs Computing kpt #: 78 total cpu time spent up to now is 180.9 secs Computing kpt #: 79 total cpu time spent up to now is 182.8 secs Computing kpt #: 80 total cpu time spent up to now is 184.6 secs Computing kpt #: 81 total cpu time spent up to now is 186.4 secs Computing kpt #: 82 total cpu time spent up to now is 188.3 secs Computing kpt #: 83 total cpu time spent up to now is 190.2 secs Computing kpt #: 84 total cpu time spent up to now is 192.5 secs Computing kpt #: 85 total cpu time spent up to now is 194.8 secs Computing kpt #: 86 total cpu time spent up to now is 197.1 secs Computing kpt #: 87 total cpu time spent up to now is 199.5 secs Computing kpt #: 88 total cpu time spent up to now is 201.4 secs Computing kpt #: 89 total cpu time spent up to now is 203.3 secs Computing kpt #: 90 total cpu time spent up to now is 205.9 secs Computing kpt #: 91 total cpu time spent up to now is 208.5 secs Computing kpt #: 92 total cpu time spent up to now is 211.1 secs Computing kpt #: 93 total cpu time spent up to now is 214.8 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 219.1 secs Computing kpt #: 95 total cpu time spent up to now is 223.1 secs Computing kpt #: 96 total cpu time spent up to now is 225.6 secs Computing kpt #: 97 total cpu time spent up to now is 227.7 secs Computing kpt #: 98 total cpu time spent up to now is 229.4 secs Computing kpt #: 99 total cpu time spent up to now is 231.2 secs Computing kpt #: 100 total cpu time spent up to now is 232.8 secs Computing kpt #: 101 total cpu time spent up to now is 234.3 secs Computing kpt #: 102 total cpu time spent up to now is 235.8 secs Computing kpt #: 103 total cpu time spent up to now is 237.2 secs Computing kpt #: 104 total cpu time spent up to now is 238.7 secs Computing kpt #: 105 total cpu time spent up to now is 240.7 secs Computing kpt #: 106 total cpu time spent up to now is 242.3 secs Computing kpt #: 107 total cpu time spent up to now is 244.0 secs Computing kpt #: 108 total cpu time spent up to now is 245.9 secs Computing kpt #: 109 total cpu time spent up to now is 247.4 secs Computing kpt #: 110 total cpu time spent up to now is 249.4 secs Computing kpt #: 111 total cpu time spent up to now is 251.4 secs Computing kpt #: 112 total cpu time spent up to now is 253.4 secs Computing kpt #: 113 total cpu time spent up to now is 255.5 secs Computing kpt #: 114 total cpu time spent up to now is 257.4 secs Computing kpt #: 115 total cpu time spent up to now is 259.4 secs Computing kpt #: 116 total cpu time spent up to now is 261.3 secs Computing kpt #: 117 total cpu time spent up to now is 263.2 secs Computing kpt #: 118 total cpu time spent up to now is 265.0 secs Computing kpt #: 119 total cpu time spent up to now is 266.9 secs Computing kpt #: 120 total cpu time spent up to now is 268.8 secs Computing kpt #: 121 total cpu time spent up to now is 270.6 secs Computing kpt #: 122 total cpu time spent up to now is 272.4 secs Computing kpt #: 123 total cpu time spent up to now is 274.3 secs Computing kpt #: 124 total cpu time spent up to now is 275.9 secs Computing kpt #: 125 total cpu time spent up to now is 277.8 secs Computing kpt #: 126 total cpu time spent up to now is 279.6 secs Computing kpt #: 127 total cpu time spent up to now is 281.4 secs Computing kpt #: 128 total cpu time spent up to now is 283.4 secs Computing kpt #: 129 total cpu time spent up to now is 285.3 secs Computing kpt #: 130 total cpu time spent up to now is 287.3 secs Computing kpt #: 131 total cpu time spent up to now is 289.2 secs Computing kpt #: 132 total cpu time spent up to now is 291.2 secs Computing kpt #: 133 total cpu time spent up to now is 292.9 secs Computing kpt #: 134 total cpu time spent up to now is 294.8 secs Computing kpt #: 135 total cpu time spent up to now is 296.8 secs Computing kpt #: 136 total cpu time spent up to now is 298.7 secs Computing kpt #: 137 total cpu time spent up to now is 300.6 secs Computing kpt #: 138 total cpu time spent up to now is 302.5 secs Computing kpt #: 139 total cpu time spent up to now is 304.3 secs Computing kpt #: 140 total cpu time spent up to now is 306.3 secs Computing kpt #: 141 total cpu time spent up to now is 308.1 secs Computing kpt #: 142 total cpu time spent up to now is 309.9 secs Computing kpt #: 143 total cpu time spent up to now is 312.1 secs Computing kpt #: 144 total cpu time spent up to now is 314.2 secs Computing kpt #: 145 total cpu time spent up to now is 316.7 secs Computing kpt #: 146 total cpu time spent up to now is 318.8 secs Computing kpt #: 147 total cpu time spent up to now is 320.6 secs Computing kpt #: 148 total cpu time spent up to now is 322.3 secs Computing kpt #: 149 total cpu time spent up to now is 324.2 secs Computing kpt #: 150 total cpu time spent up to now is 326.0 secs Computing kpt #: 151 total cpu time spent up to now is 327.7 secs Computing kpt #: 152 total cpu time spent up to now is 329.5 secs Computing kpt #: 153 total cpu time spent up to now is 331.3 secs Computing kpt #: 154 total cpu time spent up to now is 333.2 secs Computing kpt #: 155 total cpu time spent up to now is 335.0 secs Computing kpt #: 156 total cpu time spent up to now is 336.8 secs Computing kpt #: 157 total cpu time spent up to now is 338.8 secs Computing kpt #: 158 total cpu time spent up to now is 340.9 secs Computing kpt #: 159 total cpu time spent up to now is 342.9 secs Computing kpt #: 160 total cpu time spent up to now is 345.0 secs Computing kpt #: 161 total cpu time spent up to now is 347.1 secs Computing kpt #: 162 total cpu time spent up to now is 349.2 secs Computing kpt #: 163 total cpu time spent up to now is 351.3 secs Computing kpt #: 164 total cpu time spent up to now is 353.4 secs Computing kpt #: 165 total cpu time spent up to now is 355.6 secs Computing kpt #: 166 total cpu time spent up to now is 358.0 secs Computing kpt #: 167 total cpu time spent up to now is 360.0 secs Computing kpt #: 168 total cpu time spent up to now is 362.0 secs Computing kpt #: 169 total cpu time spent up to now is 364.0 secs Computing kpt #: 170 total cpu time spent up to now is 365.8 secs Computing kpt #: 171 total cpu time spent up to now is 367.5 secs Computing kpt #: 172 total cpu time spent up to now is 369.4 secs Computing kpt #: 173 total cpu time spent up to now is 371.3 secs Computing kpt #: 174 total cpu time spent up to now is 373.2 secs Computing kpt #: 175 total cpu time spent up to now is 375.0 secs Computing kpt #: 176 total cpu time spent up to now is 376.8 secs Computing kpt #: 177 total cpu time spent up to now is 378.5 secs Computing kpt #: 178 total cpu time spent up to now is 380.4 secs Computing kpt #: 179 total cpu time spent up to now is 382.1 secs Computing kpt #: 180 total cpu time spent up to now is 383.9 secs Computing kpt #: 181 total cpu time spent up to now is 385.7 secs Computing kpt #: 182 total cpu time spent up to now is 387.5 secs Computing kpt #: 183 total cpu time spent up to now is 388.9 secs Computing kpt #: 184 total cpu time spent up to now is 390.7 secs Computing kpt #: 185 total cpu time spent up to now is 392.2 secs Computing kpt #: 186 total cpu time spent up to now is 393.9 secs Computing kpt #: 187 total cpu time spent up to now is 395.4 secs Computing kpt #: 188 total cpu time spent up to now is 397.1 secs Computing kpt #: 189 total cpu time spent up to now is 399.0 secs Computing kpt #: 190 total cpu time spent up to now is 401.0 secs Computing kpt #: 191 total cpu time spent up to now is 402.9 secs Computing kpt #: 192 total cpu time spent up to now is 405.0 secs Computing kpt #: 193 total cpu time spent up to now is 407.0 secs Computing kpt #: 194 total cpu time spent up to now is 409.4 secs Computing kpt #: 195 total cpu time spent up to now is 411.9 secs Computing kpt #: 196 total cpu time spent up to now is 414.5 secs Computing kpt #: 197 total cpu time spent up to now is 417.4 secs Computing kpt #: 198 total cpu time spent up to now is 421.1 secs Computing kpt #: 199 total cpu time spent up to now is 424.7 secs Computing kpt #: 200 total cpu time spent up to now is 428.4 secs Computing kpt #: 201 total cpu time spent up to now is 430.4 secs Computing kpt #: 202 total cpu time spent up to now is 432.7 secs Computing kpt #: 203 total cpu time spent up to now is 434.6 secs Computing kpt #: 204 total cpu time spent up to now is 436.4 secs Computing kpt #: 205 total cpu time spent up to now is 438.3 secs Computing kpt #: 206 total cpu time spent up to now is 440.1 secs Computing kpt #: 207 total cpu time spent up to now is 441.9 secs Computing kpt #: 208 total cpu time spent up to now is 443.6 secs Computing kpt #: 209 total cpu time spent up to now is 445.4 secs Computing kpt #: 210 total cpu time spent up to now is 447.1 secs Computing kpt #: 211 total cpu time spent up to now is 448.8 secs Computing kpt #: 212 total cpu time spent up to now is 450.6 secs Computing kpt #: 213 total cpu time spent up to now is 452.3 secs Computing kpt #: 214 total cpu time spent up to now is 454.3 secs Computing kpt #: 215 total cpu time spent up to now is 456.1 secs Computing kpt #: 216 total cpu time spent up to now is 457.8 secs Computing kpt #: 217 total cpu time spent up to now is 459.5 secs Computing kpt #: 218 total cpu time spent up to now is 461.6 secs Computing kpt #: 219 total cpu time spent up to now is 463.9 secs Computing kpt #: 220 total cpu time spent up to now is 466.2 secs Computing kpt #: 221 total cpu time spent up to now is 468.6 secs Computing kpt #: 222 total cpu time spent up to now is 470.9 secs Computing kpt #: 223 total cpu time spent up to now is 473.4 secs Computing kpt #: 224 total cpu time spent up to now is 475.9 secs Computing kpt #: 225 total cpu time spent up to now is 477.8 secs Computing kpt #: 226 total cpu time spent up to now is 479.7 secs Computing kpt #: 227 total cpu time spent up to now is 482.3 secs Computing kpt #: 228 total cpu time spent up to now is 484.2 secs Computing kpt #: 229 total cpu time spent up to now is 486.2 secs Computing kpt #: 230 total cpu time spent up to now is 488.6 secs Computing kpt #: 231 total cpu time spent up to now is 490.5 secs Computing kpt #: 232 total cpu time spent up to now is 492.5 secs Computing kpt #: 233 total cpu time spent up to now is 494.4 secs Computing kpt #: 234 total cpu time spent up to now is 496.3 secs Computing kpt #: 235 total cpu time spent up to now is 498.1 secs Computing kpt #: 236 total cpu time spent up to now is 500.3 secs Computing kpt #: 237 total cpu time spent up to now is 502.5 secs Computing kpt #: 238 total cpu time spent up to now is 504.4 secs Computing kpt #: 239 total cpu time spent up to now is 506.2 secs Computing kpt #: 240 total cpu time spent up to now is 508.3 secs Computing kpt #: 241 total cpu time spent up to now is 510.3 secs Computing kpt #: 242 total cpu time spent up to now is 512.4 secs Computing kpt #: 243 total cpu time spent up to now is 514.5 secs Computing kpt #: 244 total cpu time spent up to now is 516.3 secs Computing kpt #: 245 total cpu time spent up to now is 518.1 secs Computing kpt #: 246 total cpu time spent up to now is 519.8 secs Computing kpt #: 247 total cpu time spent up to now is 521.6 secs Computing kpt #: 248 total cpu time spent up to now is 523.3 secs Computing kpt #: 249 total cpu time spent up to now is 525.1 secs Computing kpt #: 250 total cpu time spent up to now is 526.8 secs Computing kpt #: 251 total cpu time spent up to now is 528.6 secs Computing kpt #: 252 total cpu time spent up to now is 530.3 secs Computing kpt #: 253 total cpu time spent up to now is 532.1 secs Computing kpt #: 254 total cpu time spent up to now is 533.8 secs Computing kpt #: 255 total cpu time spent up to now is 535.6 secs Computing kpt #: 256 total cpu time spent up to now is 537.4 secs Computing kpt #: 257 total cpu time spent up to now is 539.3 secs Computing kpt #: 258 total cpu time spent up to now is 541.7 secs Computing kpt #: 259 total cpu time spent up to now is 543.6 secs Computing kpt #: 260 total cpu time spent up to now is 545.5 secs Computing kpt #: 261 total cpu time spent up to now is 547.6 secs Computing kpt #: 262 total cpu time spent up to now is 549.8 secs Computing kpt #: 263 total cpu time spent up to now is 551.7 secs Computing kpt #: 264 total cpu time spent up to now is 554.1 secs Computing kpt #: 265 total cpu time spent up to now is 556.4 secs Computing kpt #: 266 total cpu time spent up to now is 558.8 secs Computing kpt #: 267 total cpu time spent up to now is 560.7 secs Computing kpt #: 268 total cpu time spent up to now is 563.0 secs Computing kpt #: 269 total cpu time spent up to now is 565.4 secs Computing kpt #: 270 total cpu time spent up to now is 567.7 secs Computing kpt #: 271 total cpu time spent up to now is 569.8 secs Computing kpt #: 272 total cpu time spent up to now is 571.9 secs Computing kpt #: 273 total cpu time spent up to now is 574.2 secs Computing kpt #: 274 total cpu time spent up to now is 576.2 secs Computing kpt #: 275 total cpu time spent up to now is 578.3 secs Computing kpt #: 276 total cpu time spent up to now is 580.0 secs Computing kpt #: 277 total cpu time spent up to now is 581.9 secs Computing kpt #: 278 total cpu time spent up to now is 583.6 secs ethr = 1.43E-08, avg # of iterations = 35.1 total cpu time spent up to now is 583.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8817 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4556 -9.4556 -8.2197 -8.2197 -6.6905 -6.6905 -6.6337 -6.6337 -6.4532 -6.4532 -6.3934 -6.3934 -4.6524 -4.6524 -2.4716 -2.4716 -0.0810 -0.0810 0.4649 0.4649 0.5856 0.5856 1.1139 1.1139 1.3260 1.3260 2.4040 2.4040 2.5448 2.5448 2.6529 2.6529 2.7858 2.7858 3.3552 3.3552 3.3946 3.3946 3.5505 3.5505 3.7592 3.7592 3.7983 3.7983 3.8793 3.8793 4.2743 4.2743 4.3571 4.3571 4.8381 4.8381 5.1907 5.1907 5.3532 5.3532 5.7691 5.7691 5.9888 5.9888 6.9389 6.9389 7.0850 7.0850 7.1230 7.1230 8.3079 8.3079 8.3821 8.3821 8.5641 8.5641 8.7544 8.7544 8.9970 8.9970 k = 0.0098 0.0170-0.0045 ( 8825 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4551 -9.4551 -8.2193 -8.2193 -6.6907 -6.6905 -6.6352 -6.6350 -6.4543 -6.4541 -6.3942 -6.3940 -4.6502 -4.6502 -2.4709 -2.4708 -0.0802 -0.0801 0.4656 0.4658 0.5857 0.5871 1.1139 1.1170 1.3225 1.3256 2.4016 2.4093 2.5331 2.5533 2.6518 2.6594 2.7743 2.7989 3.3517 3.3562 3.3871 3.3971 3.5505 3.5530 3.7515 3.7632 3.7934 3.8094 3.8805 3.8812 4.2640 4.2820 4.3470 4.3654 4.8365 4.8395 5.1867 5.1901 5.3431 5.3477 5.7608 5.7713 5.9856 5.9895 6.9398 6.9413 7.0846 7.0866 7.1216 7.1234 8.3114 8.3139 8.3771 8.3828 8.5621 8.5752 8.7512 8.7555 8.9961 9.0031 k = 0.0196 0.0340-0.0089 ( 8831 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4537 -9.4537 -8.2183 -8.2183 -6.6912 -6.6909 -6.6398 -6.6393 -6.4574 -6.4570 -6.3964 -6.3960 -4.6438 -4.6437 -2.4687 -2.4686 -0.0775 -0.0773 0.4678 0.4684 0.5873 0.5901 1.1168 1.1231 1.3151 1.3216 2.4018 2.4173 2.5191 2.5580 2.6573 2.6703 2.7653 2.8130 3.3451 3.3546 3.3761 3.3951 3.5528 3.5573 3.7445 3.7596 3.7991 3.8209 3.8856 3.8862 4.2511 4.2871 4.3353 4.3720 4.8343 4.8406 5.1777 5.1846 5.3182 5.3278 5.7468 5.7673 5.9802 5.9877 6.9439 6.9467 7.0855 7.0895 7.1193 7.1229 8.3230 8.3286 8.3704 8.3799 8.5682 8.5931 8.7464 8.7553 9.0006 9.0139 k = 0.0294 0.0510-0.0134 ( 8835 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4512 -9.4512 -8.2165 -8.2165 -6.6921 -6.6916 -6.6473 -6.6465 -6.4622 -6.4616 -6.4001 -6.3995 -4.6333 -4.6331 -2.4650 -2.4648 -0.0731 -0.0728 0.4716 0.4728 0.5903 0.5946 1.1223 1.1324 1.3045 1.3148 2.4031 2.4269 2.5035 2.5590 2.6698 2.6847 2.7600 2.8276 3.3343 3.3495 3.3650 3.3904 3.5548 3.5620 3.7394 3.7536 3.8102 3.8297 3.8928 3.8983 4.2358 4.2890 4.3228 4.3768 4.8306 4.8411 5.1628 5.1733 5.2814 5.2966 5.7271 5.7565 5.9736 5.9838 6.9502 6.9542 7.0875 7.0937 7.1162 7.1213 8.3351 8.3469 8.3699 8.3791 8.5799 8.6143 8.7421 8.7556 9.0103 9.0287 k = 0.0391 0.0680-0.0178 ( 8838 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4478 -9.4478 -8.2140 -8.2140 -6.6938 -6.6928 -6.6575 -6.6562 -6.4684 -6.4678 -6.4051 -6.4044 -4.6188 -4.6185 -2.4598 -2.4597 -0.0669 -0.0665 0.4766 0.4789 0.5945 0.6005 1.1298 1.1446 1.2916 1.3065 2.4038 2.4360 2.4878 2.5571 2.6879 2.7029 2.7602 2.8422 3.3185 3.3409 3.3563 3.3844 3.5541 3.5663 3.7360 3.7500 3.8214 3.8349 3.9037 3.9169 4.2181 4.2859 4.3116 4.3801 4.8239 4.8396 5.1398 5.1537 5.2378 5.2604 5.7020 5.7388 5.9668 5.9785 6.9578 6.9628 7.0905 7.0987 7.1126 7.1187 8.3343 8.3549 8.3843 8.3965 8.5948 8.6352 8.7413 8.7586 9.0247 9.0471 k = 0.0489 0.0851-0.0223 ( 8842 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4434 -9.4434 -8.2108 -8.2108 -6.6968 -6.6952 -6.6697 -6.6678 -6.4759 -6.4751 -6.4116 -6.4107 -4.6007 -4.6003 -2.4533 -2.4531 -0.0591 -0.0585 0.4829 0.4866 0.5997 0.6077 1.1384 1.1593 1.2776 1.2985 2.4025 2.4412 2.4744 2.5529 2.7058 2.7277 2.7684 2.8570 3.2990 3.3310 3.3482 3.3784 3.5494 3.5693 3.7335 3.7504 3.8297 3.8381 3.9195 3.9407 4.1983 4.2752 4.3047 4.3819 4.8117 4.8339 5.1064 5.1218 5.1959 5.2271 5.6722 5.7146 5.9607 5.9723 6.9655 6.9716 7.0938 7.1033 7.1101 7.1153 8.3274 8.3523 8.4059 8.4248 8.6136 8.6547 8.7470 8.7655 9.0435 9.0687 k = 0.0587 0.1021-0.0267 ( 8854 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4382 -9.4381 -8.2070 -8.2070 -6.7035 -6.7011 -6.6816 -6.6789 -6.4842 -6.4833 -6.4194 -6.4184 -4.5792 -4.5788 -2.4455 -2.4452 -0.0495 -0.0488 0.4902 0.4960 0.6056 0.6159 1.1468 1.1756 1.2644 1.2932 2.3979 2.4378 2.4679 2.5468 2.7182 2.7611 2.7862 2.8723 3.2775 3.3209 3.3391 3.3725 3.5410 3.5704 3.7318 3.7541 3.8327 3.8415 3.9405 3.9678 4.1765 4.2589 4.3007 4.3824 4.7902 4.8193 5.0646 5.0781 5.1616 5.2013 5.6387 5.6851 5.9553 5.9654 6.9725 6.9798 7.0948 7.1038 7.1100 7.1154 8.3204 8.3487 8.4218 8.4492 8.6390 8.6773 8.7587 8.7760 9.0660 9.0934 k = 0.0685 0.1191-0.0312 ( 8852 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4321 -9.4320 -8.2026 -8.2025 -6.7170 -6.7150 -6.6886 -6.6862 -6.4931 -6.4921 -6.4285 -6.4274 -4.5547 -4.5543 -2.4364 -2.4361 -0.0384 -0.0375 0.4982 0.5070 0.6117 0.6250 1.1531 1.1906 1.2560 1.2931 2.3895 2.4269 2.4673 2.5394 2.7262 2.8002 2.8119 2.8894 3.2553 3.3107 3.3292 3.3668 3.5298 3.5692 3.7314 3.7596 3.8316 3.8438 3.9658 3.9972 4.1533 4.2402 4.2968 4.3816 4.7552 4.7890 5.0246 5.0324 5.1322 5.1817 5.6028 5.6521 5.9507 5.9581 6.9785 6.9870 7.0903 7.1015 7.1107 7.1219 8.3140 8.3457 8.4266 8.4619 8.6721 8.7092 8.7727 8.7906 9.0916 9.1211 k = 0.0783 0.1361-0.0357 ( 8850 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4251 -9.4251 -8.1976 -8.1975 -6.7365 -6.7350 -6.6922 -6.6903 -6.5024 -6.5013 -6.4388 -6.4375 -4.5277 -4.5272 -2.4261 -2.4258 -0.0257 -0.0246 0.5066 0.5194 0.6178 0.6349 1.1559 1.1981 1.2593 1.3006 2.3776 2.4144 2.4671 2.5310 2.7318 2.8342 2.8475 2.9110 3.2329 3.2991 3.3206 3.3608 3.5170 3.5658 3.7319 3.7655 3.8280 3.8441 3.9941 4.0276 4.1296 4.2205 4.2919 4.3792 4.7053 4.7384 4.9923 4.9965 5.1041 5.1657 5.5665 5.6175 5.9464 5.9504 6.9833 6.9930 7.0832 7.0951 7.1158 7.1290 8.3081 8.3431 8.4217 8.4617 8.7072 8.7488 8.7854 8.8138 9.1187 9.1510 k = 0.0881 0.1531-0.0401 ( 8850 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4174 -9.4173 -8.1920 -8.1919 -6.7595 -6.7584 -6.6949 -6.6934 -6.5121 -6.5109 -6.4500 -6.4486 -4.4984 -4.4979 -2.4148 -2.4145 -0.0115 -0.0103 0.5151 0.5330 0.6235 0.6455 1.1553 1.1959 1.2773 1.3160 2.3635 2.4022 2.4656 2.5217 2.7362 2.8559 2.8917 2.9403 3.2105 3.2841 3.3160 3.3546 3.5038 3.5604 3.7330 3.7703 3.8218 3.8429 4.0228 4.0566 4.1088 4.2005 4.2854 4.3744 4.6438 4.6717 4.9596 4.9798 5.0757 5.1514 5.5317 5.5836 5.9408 5.9436 6.9870 6.9978 7.0750 7.0872 7.1218 7.1358 8.3017 8.3395 8.4110 8.4529 8.7312 8.7755 8.8114 8.8514 9.1429 9.1791 k = 0.0979 0.1701-0.0446 ( 8849 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4090 -9.4089 -8.1859 -8.1858 -6.7849 -6.7840 -6.6977 -6.6964 -6.5219 -6.5206 -6.4620 -6.4605 -4.4674 -4.4668 -2.4026 -2.4022 0.0040 0.0054 0.5232 0.5475 0.6287 0.6567 1.1528 1.1903 1.3039 1.3385 2.3485 2.3904 2.4626 2.5119 2.7394 2.8704 2.9349 2.9767 3.1883 3.2656 3.3158 3.3481 3.4917 3.5533 3.7337 3.7726 3.8122 3.8419 4.0418 4.0756 4.1076 4.1807 4.2764 4.3650 4.5779 4.5995 4.9308 4.9697 5.0466 5.1373 5.5010 5.5526 5.9324 5.9388 6.9898 7.0015 7.0661 7.0785 7.1275 7.1419 8.2936 8.3328 8.3993 8.4406 8.7380 8.7759 8.8607 8.8997 9.1573 9.1842 k = 0.1077 0.1871-0.0490 ( 8849 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3999 -9.3998 -8.1794 -8.1793 -6.8119 -6.8112 -6.7008 -6.6996 -6.5319 -6.5304 -6.4747 -6.4729 -4.4349 -4.4343 -2.3895 -2.3890 0.0208 0.0225 0.5305 0.5622 0.6336 0.6688 1.1501 1.1856 1.3352 1.3664 2.3337 2.3790 2.4585 2.5018 2.7415 2.8798 2.9731 3.0165 3.1662 3.2443 3.3183 3.3428 3.4826 3.5443 3.7323 3.7715 3.7986 3.8431 4.0291 4.0983 4.1295 4.1634 4.2641 4.3470 4.5142 4.5352 4.9033 4.9609 5.0172 5.1216 5.4769 5.5265 5.9229 5.9339 6.9917 7.0041 7.0569 7.0692 7.1328 7.1471 8.2824 8.3209 8.3900 8.4286 8.7315 8.7660 8.9127 8.9487 9.1662 9.1845 k = 0.1174 0.2041-0.0535 ( 8867 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3903 -9.3902 -8.1724 -8.1723 -6.8402 -6.8395 -6.7043 -6.7032 -6.5421 -6.5404 -6.4877 -6.4857 -4.4013 -4.4006 -2.3757 -2.3751 0.0387 0.0407 0.5365 0.5759 0.6391 0.6818 1.1485 1.1832 1.3693 1.3985 2.3196 2.3681 2.4537 2.4916 2.7423 2.8858 3.0038 3.0549 3.1446 3.2209 3.3181 3.3435 3.4784 3.5332 3.7255 3.7684 3.7808 3.8468 4.0027 4.1160 4.1385 4.1705 4.2499 4.3149 4.4606 4.4906 4.8757 4.9497 4.9883 5.1024 5.4613 5.5070 5.9125 5.9284 6.9926 7.0055 7.0476 7.0601 7.1374 7.1514 8.2670 8.3038 8.3838 8.4193 8.7152 8.7486 8.9598 8.9904 9.1801 9.1919 k = 0.1272 0.2211-0.0579 ( 8861 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3801 -9.3801 -8.1651 -8.1650 -6.8692 -6.8686 -6.7085 -6.7074 -6.5524 -6.5506 -6.5007 -6.4985 -4.3670 -4.3663 -2.3613 -2.3606 0.0577 0.0600 0.5408 0.5866 0.6473 0.6961 1.1487 1.1835 1.4056 1.4336 2.3067 2.3579 2.4486 2.4817 2.7419 2.8893 3.0254 3.0848 3.1256 3.1959 3.3127 3.3515 3.4812 3.5193 3.7110 3.7554 3.7700 3.8493 3.9752 4.0914 4.1615 4.1929 4.2423 4.2716 4.4244 4.4653 4.8478 4.9327 4.9620 5.0787 5.4552 5.4952 5.9015 5.9222 6.9922 7.0056 7.0386 7.0518 7.1411 7.1546 8.2477 8.2829 8.3793 8.4130 8.6919 8.7254 8.9972 9.0199 9.2038 9.2093 k = 0.1370 0.2382-0.0624 ( 8861 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3696 -9.3695 -8.1575 -8.1574 -6.8985 -6.8980 -6.7133 -6.7122 -6.5630 -6.5610 -6.5134 -6.5110 -4.3322 -4.3316 -2.3464 -2.3456 0.0776 0.0803 0.5433 0.5924 0.6599 0.7120 1.1508 1.1864 1.4432 1.4710 2.2953 2.3483 2.4438 2.4724 2.7400 2.8907 3.0369 3.0870 3.1244 3.1704 3.3053 3.3616 3.4915 3.5014 3.6902 3.7291 3.7691 3.8417 3.9567 4.0535 4.1752 4.2134 4.2298 4.2545 4.4036 4.4520 4.8203 4.9087 4.9398 5.0507 5.4582 5.4913 5.8896 5.9150 6.9901 7.0046 7.0301 7.0454 7.1440 7.1568 8.2252 8.2598 8.3746 8.4086 8.6640 8.6982 9.0224 9.0380 9.2343 9.2380 k = 0.1468 0.2552-0.0669 ( 8869 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3588 -9.3587 -8.1497 -8.1496 -6.9279 -6.9274 -6.7190 -6.7178 -6.5739 -6.5719 -6.5252 -6.5227 -4.2974 -4.2967 -2.3312 -2.3302 0.0982 0.1013 0.5439 0.5932 0.6773 0.7295 1.1548 1.1912 1.4818 1.5099 2.2854 2.3394 2.4398 2.4642 2.7365 2.8900 3.0361 3.0683 3.1295 3.1503 3.2960 3.3714 3.4787 3.5069 3.6667 3.6990 3.7638 3.8192 3.9562 4.0163 4.1714 4.2000 4.2411 4.2795 4.3925 4.4443 4.7940 4.8807 4.9197 5.0195 5.4686 5.4949 5.8770 5.9069 6.9855 7.0024 7.0226 7.0418 7.1459 7.1580 8.2006 8.2354 8.3686 8.4040 8.6340 8.6692 9.0358 9.0492 9.2683 9.2727 k = 0.1566 0.2722-0.0713 ( 8872 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3477 -9.3476 -8.1418 -8.1416 -6.9569 -6.9565 -6.7255 -6.7243 -6.5853 -6.5832 -6.5359 -6.5333 -4.2628 -4.2621 -2.3158 -2.3146 0.1194 0.1230 0.5429 0.5904 0.6983 0.7487 1.1600 1.1975 1.5205 1.5495 2.2769 2.3311 2.4369 2.4576 2.7313 2.8874 3.0197 3.0492 3.1130 3.1484 3.2811 3.3786 3.4527 3.5220 3.6417 3.6684 3.7457 3.7936 3.9649 3.9976 4.1610 4.1855 4.2714 4.3068 4.3865 4.4386 4.7703 4.8517 4.9002 4.9864 5.4845 5.5050 5.8636 5.8979 6.9789 6.9982 7.0177 7.0405 7.1469 7.1583 8.1745 8.2099 8.3601 8.3971 8.6050 8.6408 9.0406 9.0568 9.3029 9.3066 k = 0.1664 0.2892-0.0758 ( 8865 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3366 -9.3365 -8.1338 -8.1336 -6.9854 -6.9849 -6.7329 -6.7317 -6.5972 -6.5951 -6.5452 -6.5426 -4.2287 -4.2279 -2.3003 -2.2989 0.1408 0.1451 0.5407 0.5854 0.7216 0.7697 1.1659 1.2044 1.5588 1.5892 2.2696 2.3232 2.4356 2.4533 2.7241 2.8827 2.9912 3.0273 3.0948 3.1485 3.2565 3.3737 3.4322 3.5315 3.6092 3.6490 3.7162 3.7711 3.9719 4.0098 4.1523 4.1803 4.3015 4.3335 4.3828 4.4333 4.7503 4.8230 4.8820 4.9528 5.5038 5.5204 5.8498 5.8881 6.9715 6.9918 7.0160 7.0408 7.1470 7.1576 8.1472 8.1834 8.3482 8.3864 8.5798 8.6152 9.0408 9.0611 9.3310 9.3395 k = 0.1762 0.3062-0.0802 ( 8861 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3254 -9.3253 -8.1257 -8.1256 -7.0130 -7.0126 -6.7412 -6.7400 -6.6093 -6.6075 -6.5529 -6.5503 -4.1952 -4.1944 -2.2848 -2.2832 0.1625 0.1675 0.5378 0.5793 0.7468 0.7922 1.1718 1.2111 1.5960 1.6281 2.2630 2.3155 2.4357 2.4516 2.7145 2.8761 2.9568 2.9990 3.0815 3.1461 3.2203 3.3466 3.4275 3.5335 3.5708 3.6443 3.6835 3.7517 3.9899 4.0331 4.1497 4.1790 4.3294 4.3579 4.3801 4.4288 4.7351 4.7954 4.8663 4.9198 5.5249 5.5397 5.8355 5.8776 6.9641 6.9847 7.0164 7.0422 7.1463 7.1561 8.1185 8.1553 8.3327 8.3714 8.5602 8.5938 9.0382 9.0628 9.3514 9.3678 k = 0.1859 0.3232-0.0847 ( 8854 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3144 -9.3142 -8.1178 -8.1176 -7.0395 -7.0391 -6.7505 -6.7491 -6.6217 -6.6200 -6.5590 -6.5566 -4.1627 -4.1619 -2.2695 -2.2677 0.1840 0.1900 0.5345 0.5727 0.7732 0.8160 1.1770 1.2171 1.6312 1.6653 2.2566 2.3080 2.4371 2.4529 2.7018 2.8676 2.9188 2.9674 3.0716 3.1408 3.1750 3.3081 3.4269 3.5306 3.5359 3.6446 3.6547 3.7378 4.0191 4.0546 4.1548 4.1801 4.3503 4.3764 4.3809 4.4294 4.7248 4.7694 4.8542 4.8887 5.5465 5.5615 5.8211 5.8667 6.9574 6.9781 7.0181 7.0443 7.1449 7.1538 8.0879 8.1251 8.3144 8.3536 8.5468 8.5773 9.0339 9.0624 9.3646 9.3882 k = 0.1957 0.3402-0.0891 ( 8852 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3035 -9.3033 -8.1100 -8.1098 -7.0648 -7.0644 -6.7605 -6.7591 -6.6339 -6.6324 -6.5637 -6.5615 -4.1314 -4.1306 -2.2544 -2.2524 0.2050 0.2123 0.5314 0.5660 0.8007 0.8412 1.1811 1.2216 1.6636 1.7000 2.2501 2.3008 2.4392 2.4569 2.6853 2.8565 2.8794 2.9371 3.0615 3.1174 3.1410 3.2673 3.4207 3.5076 3.5278 3.6239 3.6555 3.7294 4.0518 4.0715 4.1652 4.1857 4.3553 4.3742 4.4022 4.4408 4.7185 4.7467 4.8464 4.8604 5.5678 5.5843 5.8067 5.8554 6.9521 6.9727 7.0205 7.0469 7.1428 7.1508 8.0550 8.0919 8.2953 8.3354 8.5382 8.5655 9.0282 9.0603 9.3712 9.3995 k = 0.2055 0.3572-0.0936 ( 8850 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2930 -9.2928 -8.1024 -8.1021 -7.0886 -7.0883 -6.7712 -6.7698 -6.6458 -6.6445 -6.5672 -6.5651 -4.1014 -4.1006 -2.2398 -2.2376 0.2254 0.2341 0.5287 0.5596 0.8290 0.8674 1.1836 1.2244 1.6921 1.7311 2.2431 2.2937 2.4413 2.4628 2.6646 2.8317 2.8517 2.9121 3.0413 3.0757 3.1314 3.2291 3.4067 3.4881 3.5235 3.6080 3.6625 3.7249 4.0675 4.0995 4.1706 4.2024 4.3489 4.3684 4.4260 4.4596 4.7117 4.7325 4.8356 4.8435 5.5883 5.6067 5.7928 5.8440 6.9485 6.9689 7.0236 7.0499 7.1403 7.1473 8.0196 8.0556 8.2775 8.3193 8.5328 8.5572 9.0216 9.0568 9.3717 9.4024 k = 0.2153 0.3742-0.0981 ( 8841 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2829 -9.2827 -8.0951 -8.0948 -7.1108 -7.1105 -6.7825 -6.7810 -6.6572 -6.6561 -6.5695 -6.5676 -4.0731 -4.0722 -2.2257 -2.2232 0.2449 0.2553 0.5268 0.5538 0.8577 0.8944 1.1843 1.2251 1.7158 1.7575 2.2354 2.2869 2.4421 2.4698 2.6403 2.7927 2.8388 2.8944 2.9973 3.0547 3.1222 3.1976 3.3883 3.4714 3.5199 3.6028 3.6704 3.7232 4.0685 4.1360 4.1698 4.2255 4.3383 4.3624 4.4473 4.4786 4.7006 4.7323 4.8158 4.8448 5.6073 5.6277 5.7796 5.8329 6.9468 6.9671 7.0272 7.0532 7.1375 7.1433 7.9816 8.0164 8.2630 8.3070 8.5293 8.5515 9.0142 9.0521 9.3665 9.3984 k = 0.2251 0.3913-0.1025 ( 8835 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2733 -9.2731 -8.0881 -8.0878 -7.1314 -7.1311 -6.7941 -6.7925 -6.6678 -6.6668 -6.5708 -6.5690 -4.0464 -4.0455 -2.2122 -2.2094 0.2630 0.2755 0.5258 0.5487 0.8867 0.9220 1.1829 1.2238 1.7334 1.7781 2.2270 2.2801 2.4405 2.4762 2.6150 2.7553 2.8286 2.8815 2.9500 3.0380 3.1126 3.1759 3.3695 3.4541 3.5191 3.6050 3.6794 3.7236 4.0644 4.1640 4.1720 4.2483 4.3279 4.3581 4.4623 4.4934 4.6924 4.7410 4.8009 4.8509 5.6242 5.6463 5.7676 5.8223 6.9472 6.9672 7.0312 7.0565 7.1346 7.1391 7.9417 7.9754 8.2525 8.2991 8.5268 8.5474 9.0063 9.0465 9.3560 9.3884 k = 0.2349 0.4083-0.1070 ( 8842 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2643 -9.2641 -8.0815 -8.0812 -7.1503 -7.1500 -6.8058 -6.8043 -6.6777 -6.6768 -6.5713 -6.5696 -4.0217 -4.0207 -2.1993 -2.1964 0.2795 0.2944 0.5259 0.5444 0.9156 0.9499 1.1797 1.2207 1.7441 1.7916 2.2177 2.2731 2.4362 2.4802 2.5931 2.7226 2.8201 2.8639 2.9152 3.0201 3.1035 3.1642 3.3524 3.4367 3.5216 3.6098 3.6904 3.7261 4.0573 4.1553 4.2034 4.2682 4.3208 4.3557 4.4684 4.5013 4.6905 4.7563 4.7908 4.8621 5.6385 5.6620 5.7575 5.8126 6.9496 6.9693 7.0355 7.0598 7.1321 7.1350 7.9009 7.9336 8.2466 8.2956 8.5245 8.5442 8.9981 9.0400 9.3404 9.3730 k = 0.2447 0.4253-0.1114 ( 8846 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2560 -9.2558 -8.0754 -8.0751 -7.1673 -7.1671 -6.8175 -6.8160 -6.6866 -6.6857 -6.5709 -6.5693 -3.9990 -3.9979 -2.1873 -2.1841 0.2943 0.3119 0.5270 0.5409 0.9437 0.9777 1.1749 1.2163 1.7470 1.7972 2.2077 2.2655 2.4303 2.4805 2.5784 2.6961 2.8113 2.8311 2.9036 3.0046 3.0954 3.1599 3.3378 3.4210 3.5263 3.6140 3.7039 3.7310 4.0480 4.1419 4.2310 4.2840 4.3192 4.3551 4.4660 4.5018 4.6933 4.7708 4.7914 4.8787 5.6494 5.6744 5.7499 5.8042 6.9540 6.9731 7.0397 7.0628 7.1300 7.1313 7.8603 7.8924 8.2448 8.2963 8.5220 8.5415 8.9898 9.0329 9.3199 9.3523 k = 0.2545 0.4423-0.1159 ( 8825 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2485 -9.2482 -8.0697 -8.0694 -7.1827 -7.1824 -6.8290 -6.8275 -6.6945 -6.6936 -6.5697 -6.5682 -3.9784 -3.9774 -2.1761 -2.1727 0.3070 0.3275 0.5290 0.5382 0.9703 1.0046 1.1690 1.2114 1.7418 1.7946 2.1971 2.2571 2.4248 2.4781 2.5714 2.6758 2.7910 2.8013 2.9047 2.9957 3.0882 3.1608 3.3261 3.4080 3.5324 3.6159 3.7190 3.7397 4.0374 4.1251 4.2539 4.2948 4.3237 4.3559 4.4581 4.4964 4.6971 4.7674 4.8170 4.9002 5.6559 5.6835 5.7453 5.7978 6.9600 6.9782 7.0437 7.0654 7.1276 7.1294 7.8210 7.8530 8.2470 8.3006 8.5192 8.5388 8.9814 9.0251 9.2947 9.3269 k = 0.2642 0.4593-0.1204 ( 8825 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2418 -9.2415 -8.0646 -8.0643 -7.1963 -7.1961 -6.8400 -6.8385 -6.7014 -6.7005 -6.5679 -6.5664 -3.9601 -3.9590 -2.1659 -2.1623 0.3177 0.3410 0.5316 0.5362 0.9944 1.0295 1.1631 1.2073 1.7292 1.7844 2.1864 2.2478 2.4219 2.4756 2.5692 2.6609 2.7557 2.7846 2.9112 2.9944 3.0821 3.1649 3.3170 3.3985 3.5389 3.6150 3.7332 3.7543 4.0262 4.1062 4.2719 4.3018 4.3319 4.3574 4.4486 4.4877 4.6992 4.7585 4.8512 4.9253 5.6574 5.6898 5.7436 5.7943 6.9672 6.9837 7.0472 7.0680 7.1253 7.1294 7.7842 7.8163 8.2527 8.3081 8.5159 8.5360 8.9730 9.0169 9.2656 9.2973 k = 0.2740 0.4763-0.1248 ( 8831 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2360 -9.2357 -8.0601 -8.0598 -7.2083 -7.2081 -6.8503 -6.8489 -6.7071 -6.7062 -6.5654 -6.5640 -3.9442 -3.9431 -2.1567 -2.1529 0.3263 0.3524 0.5340 0.5352 1.0147 1.0506 1.1586 1.2052 1.7106 1.7681 2.1760 2.2384 2.4227 2.4749 2.5687 2.6499 2.7252 2.7653 2.9204 2.9989 3.0772 3.1711 3.3106 3.3927 3.5451 3.6116 3.7468 3.7738 4.0149 4.0866 4.2850 4.3060 4.3397 4.3592 4.4408 4.4788 4.6984 4.7473 4.8879 4.9518 5.6543 5.6939 5.7439 5.7945 6.9748 6.9889 7.0502 7.0712 7.1238 7.1302 7.7510 7.7834 8.2615 8.3181 8.5119 8.5328 8.9644 9.0082 9.2341 9.2650 k = 0.2838 0.4933-0.1293 ( 8833 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2311 -9.2308 -8.0561 -8.0558 -7.2187 -7.2186 -6.8599 -6.8585 -6.7117 -6.7108 -6.5624 -6.5610 -3.9308 -3.9296 -2.1485 -2.1446 0.3329 0.3613 0.5333 0.5376 1.0297 1.0649 1.1581 1.2068 1.6881 1.7479 2.1665 2.2296 2.4268 2.4760 2.5681 2.6407 2.7027 2.7452 2.9306 3.0062 3.0738 3.1784 3.3069 3.3908 3.5504 3.6061 3.7618 3.7948 4.0040 4.0676 4.2942 4.3061 4.3445 4.3624 4.4369 4.4725 4.6949 4.7339 4.9243 4.9772 5.6487 5.6956 5.7455 5.7983 6.9817 6.9926 7.0532 7.0760 7.1231 7.1314 7.7223 7.7549 8.2727 8.3302 8.5072 8.5291 8.9551 8.9989 9.2021 9.2317 k = 0.2936 0.5103-0.1337 ( 8841 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2270 -9.2267 -8.0527 -8.0523 -7.2279 -7.2277 -6.8684 -6.8671 -6.7152 -6.7142 -6.5588 -6.5575 -3.9197 -3.9185 -2.1414 -2.1373 0.3374 0.3677 0.5324 0.5399 1.0380 1.0699 1.1638 1.2129 1.6645 1.7267 2.1580 2.2217 2.4330 2.4781 2.5662 2.6316 2.6900 2.7274 2.9402 3.0140 3.0718 3.1858 3.3058 3.3927 3.5541 3.5992 3.7793 3.8150 3.9931 4.0503 4.2976 4.3039 4.3450 4.3674 4.4374 4.4706 4.6893 4.7185 4.9582 4.9995 5.6426 5.6956 5.7486 5.8045 6.9864 6.9945 7.0573 7.0830 7.1225 7.1322 7.6990 7.7317 8.2860 8.3435 8.5021 8.5249 8.9445 8.9885 9.1717 9.1994 k = 0.3034 0.5273-0.1382 ( 8834 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2239 -9.2235 -8.0499 -8.0495 -7.2358 -7.2356 -6.8758 -6.8745 -6.7175 -6.7164 -6.5548 -6.5535 -3.9112 -3.9099 -2.1354 -2.1312 0.3401 0.3716 0.5314 0.5416 1.0395 1.0660 1.1745 1.2228 1.6428 1.7071 2.1504 2.2149 2.4397 2.4804 2.5628 2.6240 2.6840 2.7157 2.9482 3.0210 3.0710 3.1928 3.3072 3.3982 3.5554 3.5921 3.7992 3.8325 3.9813 4.0359 4.2903 4.3070 4.3423 4.3727 4.4414 4.4734 4.6826 4.7019 4.9877 5.0167 5.6381 5.6953 5.7527 5.8121 6.9875 6.9948 7.0633 7.0922 7.1214 7.1320 7.6817 7.7144 8.3006 8.3575 8.4970 8.5202 8.9317 8.9765 9.1448 9.1698 k = 0.3132 0.5444-0.1426 ( 8829 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2216 -9.2212 -8.0476 -8.0472 -7.2427 -7.2426 -6.8820 -6.8808 -6.7186 -6.7175 -6.5503 -6.5490 -3.9051 -3.9038 -2.1306 -2.1262 0.3408 0.3728 0.5305 0.5423 1.0347 1.0560 1.1874 1.2348 1.6257 1.6917 2.1437 2.2088 2.4452 2.4821 2.5590 2.6196 2.6781 2.7153 2.9543 3.0265 3.0707 3.1986 3.3107 3.4069 3.5535 3.5862 3.8206 3.8461 3.9678 4.0244 4.2810 4.3088 4.3387 4.3773 4.4474 4.4797 4.6753 4.6850 5.0109 5.0276 5.6371 5.6967 5.7574 5.8197 6.9853 6.9936 7.0708 7.1021 7.1200 7.1309 7.6710 7.7035 8.3159 8.3712 8.4927 8.5153 8.9162 8.9622 9.1225 9.1446 k = 0.3230 0.5614-0.1471 ( 8833 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2201 -9.2197 -8.0458 -8.0455 -7.2489 -7.2487 -6.8868 -6.8857 -6.7185 -6.7173 -6.5454 -6.5441 -3.9014 -3.9001 -2.1267 -2.1224 0.3397 0.3715 0.5297 0.5422 1.0245 1.0420 1.2004 1.2471 1.6154 1.6822 2.1378 2.2032 2.4481 2.4825 2.5575 2.6185 2.6720 2.7249 2.9583 3.0303 3.0704 3.2029 3.3157 3.4181 3.5479 3.5828 3.8424 3.8552 3.9532 4.0141 4.2730 4.3081 4.3365 4.3810 4.4538 4.4875 4.6661 4.6712 5.0253 5.0326 5.6414 5.7016 5.7618 5.8265 6.9812 6.9907 7.0778 7.1088 7.1199 7.1309 7.6670 7.6994 8.3308 8.3839 8.4901 8.5106 8.8980 8.9456 9.1050 9.1245 k = 0.3327 0.5784-0.1516 ( 8831 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2194 -9.2190 -8.0446 -8.0442 -7.2544 -7.2542 -6.8903 -6.8892 -6.7173 -6.7160 -6.5402 -6.5390 -3.9000 -3.8987 -2.1240 -2.1196 0.3366 0.3677 0.5290 0.5414 1.0096 1.0250 1.2127 1.2582 1.6133 1.6794 2.1325 2.1980 2.4482 2.4817 2.5594 2.6195 2.6693 2.7402 2.9609 3.0326 3.0696 3.2059 3.3212 3.4312 3.5400 3.5818 3.8591 3.8632 3.9391 4.0025 4.2677 4.3053 4.3361 4.3848 4.4591 4.4942 4.6529 4.6651 5.0250 5.0365 5.6524 5.7113 5.7654 5.8318 6.9763 6.9866 7.0798 7.1075 7.1224 7.1379 7.6697 7.7021 8.3441 8.3946 8.4901 8.5072 8.8782 8.9269 9.0916 9.1098 k = 0.3327 0.5784-0.1516 ( 8831 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2194 -9.2190 -8.0446 -8.0442 -7.2544 -7.2542 -6.8903 -6.8892 -6.7173 -6.7160 -6.5402 -6.5390 -3.9000 -3.8987 -2.1240 -2.1196 0.3366 0.3677 0.5290 0.5414 1.0096 1.0250 1.2127 1.2582 1.6133 1.6794 2.1325 2.1980 2.4482 2.4817 2.5594 2.6195 2.6693 2.7402 2.9609 3.0326 3.0696 3.2059 3.3212 3.4312 3.5400 3.5818 3.8591 3.8632 3.9391 4.0025 4.2677 4.3053 4.3361 4.3848 4.4591 4.4942 4.6529 4.6651 5.0250 5.0365 5.6524 5.7113 5.7654 5.8318 6.9763 6.9866 7.0798 7.1075 7.1224 7.1379 7.6697 7.7021 8.3441 8.3946 8.4901 8.5072 8.8782 8.9269 9.0916 9.1098 k = 0.3356 0.5834-0.1325 ( 8827 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2180 -9.2177 -8.0465 -8.0462 -7.2520 -7.2518 -6.8911 -6.8901 -6.7218 -6.7206 -6.5387 -6.5375 -3.8995 -3.8981 -2.1203 -2.1159 0.3417 0.3722 0.5313 0.5434 1.0205 1.0350 1.2149 1.2595 1.6096 1.6759 2.1267 2.1912 2.4460 2.4797 2.5523 2.6173 2.6593 2.7419 2.9590 3.0313 3.0686 3.2039 3.3228 3.4300 3.5279 3.5700 3.8659 3.8743 3.9487 4.0056 4.2497 4.2862 4.3385 4.4106 4.4577 4.4895 4.6624 4.6742 5.0232 5.0371 5.6240 5.6825 5.7663 5.8329 6.9754 6.9854 7.0847 7.1055 7.1187 7.1287 7.6765 7.7098 8.3409 8.3913 8.4915 8.5079 8.8907 8.9359 9.0971 9.1189 k = 0.3385 0.5884-0.1134 ( 8840 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2162 -9.2158 -8.0495 -8.0491 -7.2490 -7.2488 -6.8919 -6.8909 -6.7268 -6.7255 -6.5374 -6.5362 -3.8983 -3.8970 -2.1165 -2.1121 0.3456 0.3753 0.5358 0.5474 1.0310 1.0446 1.2164 1.2600 1.6054 1.6718 2.1245 2.1882 2.4429 2.4773 2.5458 2.6136 2.6508 2.7446 2.9569 3.0304 3.0678 3.2020 3.3241 3.4272 3.5155 3.5586 3.8718 3.8845 3.9598 4.0088 4.2213 4.2561 4.3491 4.4320 4.4600 4.4932 4.6697 4.6811 5.0207 5.0373 5.5961 5.6541 5.7664 5.8331 6.9764 6.9863 7.0871 7.0976 7.1163 7.1263 7.6831 7.7174 8.3397 8.3898 8.4911 8.5073 8.9049 8.9462 9.1029 9.1281 k = 0.3414 0.5934-0.0944 ( 8847 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2139 -9.2136 -8.0533 -8.0530 -7.2454 -7.2453 -6.8928 -6.8917 -6.7320 -6.7308 -6.5362 -6.5350 -3.8966 -3.8952 -2.1125 -2.1081 0.3484 0.3771 0.5424 0.5534 1.0406 1.0534 1.2175 1.2599 1.6007 1.6671 2.1259 2.1891 2.4389 2.4746 2.5404 2.6086 2.6443 2.7480 2.9547 3.0298 3.0672 3.2002 3.3250 3.4229 3.5027 3.5487 3.8760 3.8927 3.9718 4.0118 4.1896 4.2219 4.3584 4.4390 4.4727 4.5067 4.6743 4.6854 5.0175 5.0371 5.5693 5.6269 5.7658 5.8328 6.9794 6.9891 7.0854 7.0893 7.1132 7.1293 7.6894 7.7246 8.3407 8.3902 8.4886 8.5051 8.9206 8.9576 9.1093 9.1380 k = 0.3442 0.5984-0.0753 ( 8850 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2113 -9.2110 -8.0581 -8.0577 -7.2413 -7.2411 -6.8937 -6.8927 -6.7373 -6.7361 -6.5352 -6.5340 -3.8944 -3.8930 -2.1084 -2.1040 0.3503 0.3779 0.5507 0.5611 1.0488 1.0608 1.2184 1.2595 1.5956 1.6619 2.1307 2.1937 2.4339 2.4717 2.5363 2.6030 2.6396 2.7518 2.9523 3.0298 3.0668 3.1985 3.3253 3.4170 3.4891 3.5413 3.8778 3.8975 3.9837 4.0146 4.1579 4.1864 4.3657 4.4370 4.4916 4.5266 4.6760 4.6867 5.0135 5.0362 5.5443 5.6016 5.7649 5.8320 6.9840 6.9934 7.0789 7.0821 7.1132 7.1327 7.6950 7.7312 8.3438 8.3923 8.4841 8.5017 8.9376 8.9697 9.1167 9.1487 k = 0.3471 0.6033-0.0562 ( 8850 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2083 -9.2080 -8.0635 -8.0632 -7.2366 -7.2364 -6.8949 -6.8939 -6.7425 -6.7413 -6.5344 -6.5333 -3.8917 -3.8903 -2.1043 -2.0999 0.3515 0.3781 0.5602 0.5703 1.0552 1.0667 1.2192 1.2588 1.5905 1.6565 2.1388 2.2019 2.4283 2.4685 2.5337 2.5979 2.6360 2.7560 2.9495 3.0303 3.0666 3.1970 3.3247 3.4100 3.4746 3.5366 3.8761 3.8974 3.9942 4.0169 4.1295 4.1520 4.3718 4.4341 4.5107 4.5487 4.6743 4.6850 5.0086 5.0347 5.5218 5.5788 5.7639 5.8311 6.9900 6.9991 7.0711 7.0752 7.1149 7.1356 7.7000 7.7370 8.3491 8.3959 8.4780 8.4975 8.9549 8.9817 9.1251 9.1605 k = 0.3500 0.6083-0.0372 ( 8844 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2050 -9.2047 -8.0697 -8.0694 -7.2315 -7.2313 -6.8963 -6.8953 -6.7474 -6.7463 -6.5339 -6.5328 -3.8886 -3.8872 -2.1002 -2.0959 0.3523 0.3780 0.5706 0.5805 1.0595 1.0707 1.2198 1.2580 1.5854 1.6511 2.1500 2.2133 2.4222 2.4652 2.5325 2.5941 2.6328 2.7604 2.9465 3.0313 3.0667 3.1956 3.3230 3.4024 3.4592 3.5344 3.8688 3.8914 4.0008 4.0183 4.1076 4.1228 4.3780 4.4320 4.5289 4.5702 4.6691 4.6800 5.0031 5.0324 5.5022 5.5590 5.7630 5.8302 6.9971 7.0058 7.0635 7.0686 7.1168 7.1378 7.7043 7.7420 8.3564 8.4008 8.4711 8.4934 8.9718 8.9931 9.1344 9.1728 k = 0.3529 0.6133-0.0181 ( 8841 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2015 -9.2012 -8.0764 -8.0761 -7.2261 -7.2258 -6.8981 -6.8971 -6.7518 -6.7507 -6.5336 -6.5325 -3.8852 -3.8839 -2.0962 -2.0919 0.3529 0.3778 0.5816 0.5914 1.0615 1.0727 1.2204 1.2572 1.5806 1.6459 2.1638 2.2276 2.4162 2.4617 2.5325 2.5918 2.6299 2.7649 2.9432 3.0329 3.0671 3.1945 3.3196 3.3952 3.4431 3.5341 3.8524 3.8812 3.9978 4.0195 4.0927 4.1064 4.3847 4.4313 4.5454 4.5888 4.6606 4.6728 4.9968 5.0293 5.4860 5.5425 5.7624 5.8296 7.0049 7.0131 7.0566 7.0628 7.1184 7.1392 7.7079 7.7461 8.3656 8.4063 8.4640 8.4904 8.9876 9.0036 9.1440 9.1847 k = 0.3557 0.6183 0.0009 ( 8849 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1979 -9.1975 -8.0835 -8.0832 -7.2203 -7.2201 -6.9003 -6.8993 -6.7556 -6.7545 -6.5336 -6.5326 -3.8817 -3.8803 -2.0923 -2.0881 0.3534 0.3777 0.5926 0.6025 1.0611 1.0727 1.2207 1.2561 1.5764 1.6413 2.1801 2.2445 2.4106 2.4581 2.5337 2.5907 2.6274 2.7696 2.9396 3.0350 3.0678 3.1936 3.3141 3.3888 3.4268 3.5352 3.8264 3.8679 3.9826 4.0212 4.0838 4.1071 4.3922 4.4321 4.5588 4.6011 4.6494 4.6662 4.9899 5.0254 5.4734 5.5297 5.7623 5.8294 7.0130 7.0205 7.0508 7.0582 7.1196 7.1398 7.7108 7.7494 8.3766 8.4120 8.4576 8.4894 9.0021 9.0130 9.1528 9.1948 k = 0.3586 0.6233 0.0200 ( 8835 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1941 -9.1937 -8.0909 -8.0906 -7.2144 -7.2142 -6.9030 -6.9021 -6.7585 -6.7575 -6.5339 -6.5329 -3.8780 -3.8767 -2.0887 -2.0844 0.3541 0.3780 0.6036 0.6136 1.0584 1.0706 1.2205 1.2549 1.5731 1.6374 2.1984 2.2636 2.4057 2.4546 2.5358 2.5903 2.6260 2.7744 2.9360 3.0375 3.0688 3.1932 3.3063 3.3832 3.4108 3.5372 3.7943 3.8506 3.9628 4.0197 4.0840 4.1172 4.4002 4.4342 4.5665 4.6010 4.6375 4.6666 4.9826 5.0206 5.4646 5.5206 5.7629 5.8297 7.0204 7.0272 7.0470 7.0553 7.1204 7.1396 7.7131 7.7520 8.3893 8.4171 8.4528 8.4913 9.0152 9.0214 9.1594 9.2013 k = 0.3615 0.6283 0.0391 ( 8837 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1903 -9.1899 -8.0984 -8.0981 -7.2084 -7.2082 -6.9062 -6.9052 -6.7605 -6.7595 -6.5344 -6.5334 -3.8744 -3.8731 -2.0852 -2.0810 0.3550 0.3785 0.6141 0.6243 1.0538 1.0666 1.2197 1.2533 1.5708 1.6345 2.2184 2.2842 2.4020 2.4513 2.5384 2.5892 2.6266 2.7792 2.9324 3.0403 3.0701 3.1931 3.2965 3.3765 3.3972 3.5397 3.7598 3.8291 3.9444 4.0140 4.0921 4.1318 4.4085 4.4374 4.5630 4.5875 4.6303 4.6753 4.9748 5.0151 5.4594 5.5150 5.7641 5.8307 7.0255 7.0314 7.0472 7.0550 7.1210 7.1386 7.7149 7.7539 8.4034 8.4213 8.4503 8.4963 9.0271 9.0292 9.1620 9.2025 k = 0.3644 0.6333 0.0581 ( 8837 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1865 -9.1862 -8.1059 -8.1056 -7.2025 -7.2023 -6.9097 -6.9088 -6.7615 -6.7605 -6.5352 -6.5342 -3.8709 -3.8696 -2.0821 -2.0779 0.3561 0.3795 0.6238 0.6342 1.0476 1.0610 1.2181 1.2514 1.5696 1.6328 2.2395 2.3055 2.3998 2.4485 2.5411 2.5865 2.6305 2.7841 2.9291 3.0433 3.0716 3.1936 3.2851 3.3650 3.3894 3.5421 3.7259 3.8052 3.9287 4.0053 4.1051 4.1485 4.4165 4.4414 4.5460 4.5651 4.6316 4.6873 4.9668 5.0088 5.4576 5.5129 5.7661 5.8323 7.0267 7.0332 7.0513 7.0584 7.1216 7.1371 7.7163 7.7555 8.4183 8.4249 8.4504 8.5043 9.0361 9.0385 9.1590 9.1973 k = 0.3672 0.6383 0.0772 ( 8838 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1829 -9.1826 -8.1132 -8.1129 -7.1969 -7.1967 -6.9135 -6.9126 -6.7614 -6.7605 -6.5362 -6.5352 -3.8677 -3.8663 -2.0793 -2.0751 0.3574 0.3808 0.6325 0.6431 1.0399 1.0539 1.2157 1.2491 1.5698 1.6324 2.2613 2.3263 2.3998 2.4461 2.5435 2.5820 2.6380 2.7889 2.9264 3.0464 3.0734 3.1947 3.2726 3.3496 3.3863 3.5434 3.6953 3.7814 3.9151 3.9949 4.1208 4.1664 4.4234 4.4457 4.5202 4.5377 4.6375 4.6992 4.9587 5.0019 5.4590 5.5139 5.7689 5.8344 7.0257 7.0340 7.0563 7.0647 7.1228 7.1354 7.7175 7.7567 8.4261 8.4362 8.4533 8.5148 9.0427 9.0489 9.1498 9.1861 k = 0.3701 0.6433 0.0962 ( 8836 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1795 -9.1792 -8.1202 -8.1199 -7.1917 -7.1916 -6.9174 -6.9164 -6.7604 -6.7595 -6.5373 -6.5363 -3.8647 -3.8634 -2.0768 -2.0727 0.3590 0.3823 0.6399 0.6505 1.0311 1.0458 1.2125 1.2464 1.5712 1.6334 2.2833 2.3446 2.4035 2.4443 2.5448 2.5763 2.6485 2.7939 2.9246 3.0494 3.0754 3.1965 3.2595 3.3331 3.3848 3.5423 3.6705 3.7598 3.9026 3.9830 4.1382 4.1851 4.4277 4.4488 4.4909 4.5084 4.6445 4.7099 4.9507 4.9946 5.4631 5.5177 5.7725 5.8371 7.0248 7.0343 7.0605 7.0717 7.1249 7.1338 7.7188 7.7579 8.4292 8.4534 8.4583 8.5272 9.0482 9.0587 9.1356 9.1705 k = 0.3730 0.6483 0.1153 ( 8825 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1764 -9.1761 -8.1267 -8.1264 -7.1872 -7.1871 -6.9210 -6.9201 -6.7585 -6.7577 -6.5384 -6.5375 -3.8623 -3.8609 -2.0748 -2.0707 0.3608 0.3841 0.6455 0.6562 1.0216 1.0372 1.2088 1.2436 1.5739 1.6356 2.3048 2.3577 2.4128 2.4432 2.5445 2.5704 2.6619 2.7989 2.9241 3.0522 3.0775 3.1992 3.2462 3.3169 3.3837 3.5373 3.6540 3.7421 3.8906 3.9699 4.1565 4.2043 4.4253 4.4413 4.4690 4.4821 4.6512 4.7186 4.9432 4.9869 5.4697 5.5240 5.7767 5.8403 7.0245 7.0349 7.0631 7.0779 7.1282 7.1333 7.7202 7.7593 8.4328 8.4650 8.4716 8.5409 9.0515 9.0671 9.1187 9.1529 k = 0.3758 0.6533 0.1344 ( 8839 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1737 -9.1734 -8.1326 -8.1323 -7.1835 -7.1834 -6.9242 -6.9233 -6.7559 -6.7550 -6.5397 -6.5387 -3.8604 -3.8590 -2.0731 -2.0691 0.3627 0.3861 0.6491 0.6598 1.0115 1.0282 1.2047 1.2408 1.5779 1.6391 2.3251 2.3651 2.4268 2.4431 2.5419 2.5654 2.6774 2.8040 2.9251 3.0545 3.0796 3.2028 3.2330 3.3017 3.3823 3.5279 3.6467 3.7291 3.8787 3.9556 4.1752 4.2237 4.4089 4.4118 4.4648 4.4697 4.6570 4.7252 4.9364 4.9792 5.4782 5.5323 5.7815 5.8437 7.0250 7.0360 7.0641 7.0819 7.1322 7.1353 7.7220 7.7610 8.4372 8.4728 8.4902 8.5556 9.0496 9.0702 9.1048 9.1367 k = 0.3787 0.6583 0.1534 ( 8835 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1715 -9.1712 -8.1377 -8.1374 -7.1809 -7.1808 -6.9267 -6.9257 -6.7525 -6.7517 -6.5409 -6.5399 -3.8591 -3.8578 -2.0720 -2.0680 0.3647 0.3881 0.6504 0.6610 1.0013 1.0193 1.2007 1.2382 1.5829 1.6437 2.3431 2.3696 2.4383 2.4481 2.5377 2.5621 2.6949 2.8093 2.9278 3.0561 3.0817 3.2068 3.2209 3.2883 3.3802 3.5156 3.6472 3.7213 3.8667 3.9401 4.1938 4.2433 4.3764 4.3806 4.4614 4.4712 4.6618 4.7292 4.9309 4.9716 5.4885 5.5424 5.7867 5.8474 7.0258 7.0377 7.0641 7.0830 7.1363 7.1408 7.7244 7.7632 8.4423 8.4813 8.5091 8.5709 9.0383 9.0598 9.1035 9.1268 k = 0.3816 0.6633 0.1725 ( 8827 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1698 -9.1695 -8.1420 -8.1417 -7.1796 -7.1795 -6.9282 -6.9273 -6.7486 -6.7478 -6.5420 -6.5410 -3.8585 -3.8572 -2.0712 -2.0673 0.3666 0.3902 0.6490 0.6595 0.9911 1.0108 1.1969 1.2359 1.5889 1.6493 2.3571 2.3742 2.4401 2.4619 2.5331 2.5608 2.7139 2.8150 2.9321 3.0566 3.0838 3.2055 3.2157 3.2777 3.3775 3.5028 3.6531 3.7187 3.8545 3.9232 4.2109 4.2626 4.3411 4.3494 4.4597 4.4734 4.6654 4.7307 4.9270 4.9645 5.5002 5.5540 5.7923 5.8510 7.0260 7.0402 7.0639 7.0817 7.1418 7.1476 7.7274 7.7660 8.4477 8.4898 8.5280 8.5866 9.0176 9.0391 9.1105 9.1253 k = 0.3816 0.6633 0.1725 ( 8827 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1698 -9.1695 -8.1420 -8.1417 -7.1796 -7.1795 -6.9282 -6.9273 -6.7486 -6.7478 -6.5420 -6.5410 -3.8585 -3.8572 -2.0712 -2.0673 0.3666 0.3902 0.6490 0.6595 0.9911 1.0108 1.1969 1.2359 1.5889 1.6493 2.3571 2.3742 2.4401 2.4619 2.5331 2.5608 2.7139 2.8150 2.9321 3.0566 3.0838 3.2055 3.2157 3.2777 3.3775 3.5028 3.6531 3.7187 3.8545 3.9232 4.2109 4.2626 4.3411 4.3494 4.4597 4.4734 4.6654 4.7307 4.9270 4.9645 5.5002 5.5540 5.7923 5.8510 7.0260 7.0402 7.0639 7.0817 7.1418 7.1476 7.7274 7.7660 8.4477 8.4898 8.5280 8.5866 9.0176 9.0391 9.1105 9.1253 k = 0.3762 0.6538 0.1893 ( 8842 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1683 -9.1680 -8.1422 -8.1419 -7.1776 -7.1776 -6.9254 -6.9243 -6.7542 -6.7535 -6.5468 -6.5459 -3.8558 -3.8544 -2.0653 -2.0613 0.3694 0.3942 0.6455 0.6564 0.9991 1.0209 1.1697 1.2101 1.5840 1.6446 2.3655 2.3824 2.4455 2.4777 2.5439 2.5657 2.7057 2.8006 2.9335 3.0609 3.0853 3.2064 3.2240 3.2864 3.3730 3.5022 3.6481 3.7128 3.8662 3.9278 4.2217 4.2786 4.3134 4.3322 4.4659 4.4830 4.6568 4.7269 4.9427 4.9793 5.4961 5.5531 5.7982 5.8575 7.0260 7.0437 7.0683 7.0868 7.1455 7.1536 7.7084 7.7487 8.4659 8.5081 8.5356 8.6004 8.9870 9.0092 9.1023 9.1239 k = 0.3707 0.6444 0.2062 ( 8844 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1672 -9.1669 -8.1420 -8.1417 -7.1763 -7.1763 -6.9217 -6.9207 -6.7595 -6.7588 -6.5514 -6.5504 -3.8535 -3.8522 -2.0599 -2.0558 0.3699 0.3957 0.6433 0.6546 1.0047 1.0293 1.1444 1.1873 1.5796 1.6404 2.3729 2.3889 2.4433 2.4817 2.5619 2.5831 2.6989 2.7884 2.9349 3.0640 3.0873 3.2077 3.2339 3.2968 3.3703 3.5032 3.6429 3.7066 3.8773 3.9307 4.2297 4.2860 4.2969 4.3173 4.4737 4.4913 4.6476 4.7214 4.9539 4.9891 5.4977 5.5577 5.8047 5.8642 7.0255 7.0467 7.0717 7.0897 7.1509 7.1612 7.6905 7.7327 8.4851 8.5273 8.5444 8.6150 8.9576 8.9805 9.0784 9.1183 k = 0.3653 0.6350 0.2230 ( 8845 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1664 -9.1661 -8.1416 -8.1413 -7.1756 -7.1755 -6.9174 -6.9163 -6.7646 -6.7639 -6.5556 -6.5547 -3.8517 -3.8504 -2.0553 -2.0510 0.3680 0.3946 0.6422 0.6540 1.0075 1.0356 1.1219 1.1683 1.5759 1.6369 2.3795 2.3939 2.4356 2.4805 2.5784 2.6107 2.6943 2.7792 2.9362 3.0658 3.0899 3.2092 3.2453 3.3084 3.3701 3.5053 3.6378 3.7010 3.8859 3.9318 4.2286 4.2723 4.2986 4.3202 4.4809 4.4972 4.6381 4.7146 4.9610 4.9946 5.5040 5.5667 5.8120 5.8717 7.0251 7.0492 7.0740 7.0897 7.1581 7.1706 7.6741 7.7182 8.5051 8.5465 8.5548 8.6302 8.9296 8.9531 9.0397 9.0989 k = 0.3599 0.6255 0.2398 ( 8847 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1659 -9.1656 -8.1409 -8.1406 -7.1753 -7.1752 -6.9125 -6.9113 -6.7695 -6.7689 -6.5594 -6.5584 -3.8504 -3.8489 -2.0515 -2.0472 0.3640 0.3910 0.6422 0.6542 1.0072 1.0386 1.1036 1.1541 1.5729 1.6343 2.3848 2.3979 2.4254 2.4779 2.5930 2.6392 2.6932 2.7734 2.9372 3.0665 3.0929 3.2108 3.2581 3.3201 3.3733 3.5082 3.6330 3.6965 3.8901 3.9312 4.2159 4.2654 4.2990 4.3368 4.4863 4.5003 4.6286 4.7064 4.9648 4.9969 5.5138 5.5787 5.8206 5.8803 7.0249 7.0513 7.0747 7.0873 7.1669 7.1814 7.6593 7.7055 8.5253 8.5617 8.5702 8.6459 8.9031 8.9261 8.9963 9.0592 k = 0.3545 0.6161 0.2567 ( 8839 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1657 -9.1654 -8.1401 -8.1398 -7.1755 -7.1754 -6.9069 -6.9057 -6.7743 -6.7736 -6.5626 -6.5616 -3.8493 -3.8479 -2.0486 -2.0443 0.3579 0.3852 0.6427 0.6551 1.0038 1.0370 1.0914 1.1447 1.5709 1.6325 2.3869 2.4022 2.4150 2.4764 2.6036 2.6622 2.6989 2.7714 2.9381 3.0666 3.0961 3.2122 3.2720 3.3307 3.3810 3.5116 3.6290 3.6936 3.8890 3.9287 4.2005 4.2595 4.3079 4.3549 4.4890 4.5006 4.6190 4.6970 4.9661 4.9969 5.5255 5.5918 5.8310 5.8907 7.0245 7.0533 7.0734 7.0838 7.1768 7.1930 7.6468 7.6947 8.5454 8.5726 8.5892 8.6616 8.8777 8.8975 8.9563 9.0151 k = 0.3490 0.6067 0.2735 ( 8843 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1659 -9.1655 -8.1393 -8.1389 -7.1760 -7.1759 -6.9009 -6.8996 -6.7790 -6.7783 -6.5653 -6.5642 -3.8487 -3.8472 -2.0469 -2.0425 0.3502 0.3775 0.6435 0.6560 0.9979 1.0302 1.0861 1.1396 1.5700 1.6318 2.3848 2.4041 2.4093 2.4770 2.6091 2.6746 2.7142 2.7735 2.9389 3.0663 3.0990 3.2134 3.2869 3.3396 3.3933 3.5152 3.6262 3.6929 3.8828 3.9235 4.1881 4.2551 4.3208 4.3728 4.4885 4.4985 4.6097 4.6865 4.9661 4.9957 5.5375 5.6045 5.8435 5.9032 7.0235 7.0552 7.0692 7.0816 7.1875 7.2047 7.6367 7.6861 8.5648 8.5816 8.6070 8.6768 8.8521 8.8655 8.9257 8.9751 k = 0.3436 0.5972 0.2903 ( 8838 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1663 -9.1659 -8.1383 -8.1380 -7.1768 -7.1767 -6.8944 -6.8931 -6.7835 -6.7828 -6.5672 -6.5662 -3.8483 -3.8469 -2.0464 -2.0419 0.3413 0.3685 0.6439 0.6566 0.9908 1.0208 1.0857 1.1379 1.5702 1.6321 2.3795 2.3976 2.4147 2.4796 2.6102 2.6803 2.7331 2.7792 2.9396 3.0658 3.1014 3.2142 3.3024 3.3476 3.4092 3.5189 3.6249 3.6945 3.8732 3.9147 4.1802 4.2530 4.3347 4.3897 4.4849 4.4941 4.6008 4.6751 4.9655 4.9938 5.5487 5.6155 5.8581 5.9179 7.0214 7.0563 7.0631 7.0814 7.1985 7.2159 7.6297 7.6800 8.5830 8.5869 8.6208 8.6907 8.8230 8.8365 8.9052 8.9437 k = 0.3382 0.5878 0.3072 ( 8838 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1670 -9.1666 -8.1374 -8.1370 -7.1778 -7.1777 -6.8875 -6.8862 -6.7878 -6.7871 -6.5685 -6.5675 -3.8483 -3.8469 -2.0471 -2.0426 0.3316 0.3585 0.6435 0.6564 0.9837 1.0115 1.0875 1.1384 1.5716 1.6336 2.3730 2.3924 2.4207 2.4838 2.6083 2.6834 2.7496 2.7878 2.9401 3.0653 3.1031 3.2147 3.3178 3.3555 3.4273 3.5225 3.6251 3.6985 3.8622 3.9024 4.1768 4.2532 4.3480 4.4046 4.4791 4.4874 4.5928 4.6630 4.9647 4.9918 5.5581 5.6241 5.8746 5.9348 7.0179 7.0513 7.0620 7.0828 7.2093 7.2262 7.6260 7.6767 8.5848 8.5991 8.6271 8.7028 8.7943 8.8168 8.8919 8.9226 k = 0.3327 0.5784 0.3240 ( 8835 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1679 -9.1676 -8.1364 -8.1361 -7.1789 -7.1788 -6.8804 -6.8791 -6.7917 -6.7910 -6.5692 -6.5681 -3.8486 -3.8472 -2.0492 -2.0447 0.3213 0.3480 0.6420 0.6550 0.9773 1.0038 1.0902 1.1403 1.5745 1.6363 2.3667 2.3889 2.4263 2.4890 2.6047 2.6848 2.7622 2.7981 2.9405 3.0649 3.1039 3.2148 3.3322 3.3643 3.4463 3.5261 3.6267 3.7041 3.8517 3.8880 4.1768 4.2551 4.3598 4.4166 4.4722 4.4781 4.5861 4.6507 4.9641 4.9897 5.5654 5.6299 5.8924 5.9532 7.0130 7.0423 7.0649 7.0855 7.2197 7.2352 7.6261 7.6764 8.5721 8.6059 8.6281 8.7136 8.7750 8.8077 8.8842 8.9110 k = 0.3273 0.5689 0.3409 ( 8840 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1692 -9.1688 -8.1356 -8.1353 -7.1801 -7.1800 -6.8733 -6.8720 -6.7951 -6.7943 -6.5692 -6.5682 -3.8492 -3.8478 -2.0526 -2.0481 0.3109 0.3374 0.6392 0.6523 0.9722 0.9981 1.0931 1.1430 1.5787 1.6402 2.3615 2.3872 2.4313 2.4946 2.6004 2.6850 2.7710 2.8086 2.9408 3.0643 3.1037 3.2147 3.3443 3.3745 3.4651 3.5298 3.6292 3.7102 3.8438 3.8740 4.1792 4.2578 4.3697 4.4239 4.4640 4.4681 4.5815 4.6388 4.9637 4.9876 5.5703 5.6330 5.9108 5.9722 7.0070 7.0328 7.0690 7.0891 7.2291 7.2425 7.6301 7.6792 8.5483 8.5881 8.6388 8.7240 8.7671 8.8085 8.8815 8.9069 k = 0.3219 0.5595 0.3577 ( 8840 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1707 -9.1703 -8.1349 -8.1346 -7.1813 -7.1812 -6.8665 -6.8652 -6.7976 -6.7967 -6.5688 -6.5678 -3.8502 -3.8487 -2.0574 -2.0529 0.3007 0.3269 0.6352 0.6483 0.9686 0.9945 1.0962 1.1462 1.5843 1.6454 2.3578 2.3874 2.4354 2.4999 2.5959 2.6841 2.7768 2.8184 2.9410 3.0636 3.1026 3.2147 3.3532 3.3863 3.4826 3.5337 3.6321 3.7146 3.8401 3.8636 4.1828 4.2610 4.3773 4.4248 4.4503 4.4633 4.5795 4.6279 4.9634 4.9853 5.5730 5.6337 5.9289 5.9910 7.0003 7.0235 7.0738 7.0935 7.2374 7.2479 7.6382 7.6855 8.5173 8.5575 8.6530 8.7341 8.7665 8.8151 8.8834 8.9086 k = 0.3165 0.5501 0.3745 ( 8844 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1724 -9.1721 -8.1343 -8.1340 -7.1825 -7.1823 -6.8604 -6.8591 -6.7987 -6.7976 -6.5679 -6.5669 -3.8515 -3.8500 -2.0635 -2.0591 0.2909 0.3167 0.6301 0.6429 0.9664 0.9927 1.0993 1.1496 1.5913 1.6518 2.3557 2.3896 2.4386 2.5045 2.5915 2.6822 2.7804 2.8274 2.9411 3.0627 3.1005 3.2148 3.3590 3.3985 3.4975 3.5375 3.6354 3.7151 3.8411 3.8605 4.1867 4.2640 4.3826 4.4187 4.4344 4.4618 4.5803 4.6185 4.9631 4.9827 5.5738 5.6325 5.9457 6.0085 6.9935 7.0148 7.0792 7.0984 7.2441 7.2516 7.6500 7.6951 8.4833 8.5230 8.6670 8.7427 8.7685 8.8239 8.8894 8.9152 k = 0.3110 0.5406 0.3914 ( 8848 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1744 -9.1741 -8.1339 -8.1336 -7.1835 -7.1833 -6.8555 -6.8542 -6.7977 -6.7966 -6.5667 -6.5657 -3.8532 -3.8517 -2.0710 -2.0666 0.2816 0.3072 0.6240 0.6365 0.9653 0.9923 1.1023 1.1532 1.5997 1.6594 2.3551 2.3936 2.4407 2.5079 2.5875 2.6793 2.7824 2.8356 2.9414 3.0613 3.0977 3.2152 3.3624 3.4094 3.5086 3.5408 3.6399 3.7113 3.8469 3.8663 4.1900 4.2668 4.3848 4.4065 4.4198 4.4610 4.5836 4.6114 4.9623 4.9793 5.5731 5.6297 5.9605 6.0237 6.9869 7.0071 7.0850 7.1037 7.2489 7.2538 7.6653 7.7082 8.4497 8.4887 8.6797 8.7492 8.7699 8.8331 8.8993 8.9259 k = 0.3056 0.5312 0.4082 ( 8840 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1767 -9.1763 -8.1337 -8.1334 -7.1844 -7.1842 -6.8522 -6.8509 -6.7944 -6.7932 -6.5653 -6.5643 -3.8553 -3.8538 -2.0797 -2.0754 0.2731 0.2985 0.6172 0.6292 0.9651 0.9930 1.1054 1.1568 1.6094 1.6682 2.3559 2.3993 2.4417 2.5098 2.5840 2.6751 2.7837 2.8436 2.9421 3.0594 3.0944 3.2160 3.3638 3.4180 3.5149 3.5429 3.6467 3.7054 3.8572 3.8793 4.1922 4.2697 4.3772 4.3947 4.4100 4.4598 4.5885 4.6071 4.9608 4.9751 5.5711 5.6256 5.9726 6.0359 6.9810 7.0006 7.0912 7.1093 7.2508 7.2554 7.6834 7.7244 8.4182 8.4567 8.6901 8.7528 8.7693 8.8422 8.9129 8.9402 k = 0.3002 0.5218 0.4251 ( 8842 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1792 -9.1789 -8.1336 -8.1333 -7.1850 -7.1848 -6.8504 -6.8492 -6.7886 -6.7874 -6.5638 -6.5628 -3.8578 -3.8564 -2.0896 -2.0854 0.2654 0.2906 0.6099 0.6214 0.9653 0.9942 1.1085 1.1605 1.6203 1.6781 2.3578 2.4064 2.4418 2.5102 2.5807 2.6696 2.7849 2.8516 2.9434 3.0569 3.0909 3.2171 3.3631 3.4234 3.5153 3.5443 3.6556 3.7011 3.8713 3.8958 4.1928 4.2729 4.3574 4.3836 4.4094 4.4579 4.5940 4.6060 4.9583 4.9697 5.5681 5.6206 5.9813 6.0446 6.9760 6.9957 7.0975 7.1152 7.2500 7.2563 7.7036 7.7433 8.3901 8.4282 8.6961 8.7524 8.7684 8.8516 8.9300 8.9577 k = 0.2948 0.5123 0.4419 ( 8850 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1821 -9.1817 -8.1337 -8.1335 -7.1853 -7.1852 -6.8498 -6.8486 -6.7808 -6.7796 -6.5622 -6.5612 -3.8610 -3.8596 -2.1005 -2.0964 0.2587 0.2837 0.6024 0.6132 0.9656 0.9958 1.1116 1.1642 1.6322 1.6888 2.3606 2.4144 2.4412 2.5094 2.5773 2.6626 2.7871 2.8596 2.9457 3.0535 3.0875 3.2185 3.3606 3.4261 3.5089 3.5466 3.6657 3.7017 3.8877 3.9132 4.1918 4.2763 4.3345 4.3692 4.4147 4.4563 4.5984 4.6090 4.9545 4.9629 5.5643 5.6150 5.9865 6.0495 6.9721 6.9923 7.1038 7.1211 7.2474 7.2560 7.7252 7.7645 8.3661 8.4039 8.6958 8.7454 8.7719 8.8617 8.9502 8.9780 k = 0.2893 0.5029 0.4587 ( 8858 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1852 -9.1848 -8.1340 -8.1337 -7.1853 -7.1851 -6.8497 -6.8485 -6.7715 -6.7704 -6.5607 -6.5597 -3.8647 -3.8633 -2.1123 -2.1083 0.2528 0.2777 0.5949 0.6050 0.9657 0.9972 1.1148 1.1678 1.6449 1.7002 2.3642 2.4219 2.4410 2.5078 2.5735 2.6541 2.7908 2.8669 2.9495 3.0494 3.0843 3.2200 3.3562 3.4268 3.4969 3.5499 3.6758 3.7077 3.9053 3.9292 4.1896 4.2778 4.3129 4.3534 4.4226 4.4560 4.6018 4.6156 4.9490 4.9546 5.5599 5.6088 5.9880 6.0504 6.9695 6.9905 7.1099 7.1269 7.2435 7.2541 7.7475 7.7871 8.3465 8.3842 8.6889 8.7327 8.7805 8.8727 8.9731 9.0005 k = 0.2839 0.4935 0.4756 ( 8846 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1886 -9.1883 -8.1344 -8.1341 -7.1848 -7.1846 -6.8497 -6.8486 -6.7612 -6.7602 -6.5593 -6.5584 -3.8691 -3.8677 -2.1249 -2.1209 0.2480 0.2728 0.5876 0.5968 0.9655 0.9983 1.1179 1.1713 1.6581 1.7121 2.3682 2.4261 2.4440 2.5063 2.5690 2.6440 2.7968 2.8729 2.9555 3.0442 3.0818 3.2214 3.3505 3.4269 3.4819 3.5540 3.6863 3.7172 3.9229 3.9420 4.1867 4.2700 4.3006 4.3375 4.4320 4.4586 4.6057 4.6239 4.9416 4.9447 5.5550 5.6024 5.9859 6.0475 6.9682 6.9901 7.1156 7.1324 7.2387 7.2507 7.7697 7.8102 8.3316 8.3692 8.6770 8.7166 8.7925 8.8845 8.9982 9.0248 k = 0.2839 0.4935 0.4756 ( 8846 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1886 -9.1883 -8.1344 -8.1341 -7.1848 -7.1846 -6.8497 -6.8486 -6.7612 -6.7602 -6.5593 -6.5584 -3.8691 -3.8677 -2.1249 -2.1209 0.2480 0.2728 0.5876 0.5968 0.9655 0.9983 1.1179 1.1713 1.6581 1.7121 2.3682 2.4261 2.4440 2.5063 2.5690 2.6440 2.7968 2.8729 2.9555 3.0442 3.0818 3.2214 3.3505 3.4269 3.4819 3.5540 3.6863 3.7172 3.9229 3.9420 4.1867 4.2700 4.3006 4.3375 4.4320 4.4586 4.6057 4.6239 4.9416 4.9447 5.5550 5.6024 5.9859 6.0475 6.9682 6.9901 7.1156 7.1324 7.2387 7.2507 7.7697 7.8102 8.3316 8.3692 8.6770 8.7166 8.7925 8.8845 8.9982 9.0248 k = 0.2741 0.4765 0.4756 ( 8859 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1910 -9.1907 -8.1431 -8.1429 -7.1732 -7.1730 -6.8448 -6.8437 -6.7556 -6.7546 -6.5589 -6.5579 -3.8773 -3.8760 -2.1378 -2.1340 0.2442 0.2687 0.5786 0.5867 0.9594 0.9935 1.1258 1.1780 1.6810 1.7329 2.3637 2.4212 2.4458 2.5001 2.5707 2.6414 2.8216 2.8904 2.9580 3.0369 3.0793 3.2184 3.3538 3.4292 3.4734 3.5546 3.6859 3.7122 3.9352 3.9427 4.1808 4.2640 4.3012 4.3357 4.4354 4.4547 4.6138 4.6355 4.9135 4.9184 5.5373 5.5813 5.9878 6.0475 6.9650 6.9878 7.1174 7.1359 7.2363 7.2473 7.8120 7.8534 8.3136 8.3494 8.6730 8.7071 8.8101 8.8981 9.0474 9.0692 k = 0.2643 0.4594 0.4756 ( 8853 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1942 -9.1938 -8.1526 -8.1524 -7.1603 -7.1601 -6.8394 -6.8383 -6.7482 -6.7473 -6.5579 -6.5570 -3.8878 -3.8865 -2.1522 -2.1486 0.2413 0.2655 0.5680 0.5750 0.9489 0.9842 1.1347 1.1859 1.7021 1.7518 2.3633 2.4155 2.4523 2.5001 2.5734 2.6402 2.8461 2.9001 2.9689 3.0278 3.0798 3.2158 3.3576 3.4324 3.4669 3.5537 3.6827 3.7064 3.9396 3.9445 4.1776 4.2601 4.3013 4.3314 4.4425 4.4557 4.6233 4.6484 4.8808 4.8890 5.5200 5.5605 5.9884 6.0457 6.9628 6.9866 7.1180 7.1387 7.2353 7.2445 7.8567 7.8993 8.2995 8.3337 8.6659 8.6964 8.8270 8.9099 9.1022 9.1197 k = 0.2545 0.4424 0.4756 ( 8847 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1981 -9.1978 -8.1628 -8.1626 -7.1460 -7.1459 -6.8334 -6.8324 -6.7391 -6.7383 -6.5565 -6.5557 -3.9005 -3.8993 -2.1679 -2.1645 0.2391 0.2631 0.5563 0.5622 0.9346 0.9714 1.1434 1.1941 1.7188 1.7665 2.3663 2.4094 2.4647 2.5087 2.5760 2.6406 2.8668 2.9039 2.9889 3.0186 3.0837 3.2144 3.3610 3.4365 3.4631 3.5515 3.6766 3.7007 3.9342 3.9472 4.1768 4.2584 4.3001 4.3258 4.4503 4.4635 4.6337 4.6617 4.8453 4.8585 5.5031 5.5398 5.9881 6.0425 6.9616 6.9866 7.1169 7.1399 7.2361 7.2428 7.9027 7.9468 8.2894 8.3220 8.6574 8.6859 8.8422 8.9198 9.1605 9.1734 k = 0.2447 0.4254 0.4756 ( 8848 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2028 -9.2026 -8.1737 -8.1735 -7.1304 -7.1302 -6.8270 -6.8260 -6.7283 -6.7276 -6.5547 -6.5539 -3.9155 -3.9143 -2.1850 -2.1818 0.2377 0.2613 0.5439 0.5489 0.9172 0.9557 1.1512 1.2017 1.7297 1.7752 2.3709 2.4036 2.4839 2.5269 2.5784 2.6433 2.8751 2.9143 3.0081 3.0172 3.0913 3.2147 3.3633 3.4412 3.4625 3.5487 3.6684 3.6952 3.9238 3.9433 4.1786 4.2585 4.2975 4.3202 4.4589 4.4762 4.6445 4.6747 4.8087 4.8300 5.4866 5.5193 5.9873 6.0385 6.9615 6.9875 7.1140 7.1390 7.2388 7.2429 7.9492 7.9951 8.2827 8.3142 8.6489 8.6763 8.8554 8.9276 9.2197 9.2251 k = 0.2350 0.4084 0.4756 ( 8840 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2083 -9.2080 -8.1851 -8.1849 -7.1132 -7.1130 -6.8202 -6.8192 -6.7161 -6.7155 -6.5525 -6.5517 -3.9325 -3.9315 -2.2032 -2.2003 0.2369 0.2600 0.5312 0.5357 0.8976 0.9381 1.1571 1.2078 1.7340 1.7773 2.3749 2.3984 2.5096 2.5503 2.5847 2.6490 2.8726 2.9312 3.0087 3.0406 3.1036 3.2172 3.3640 3.4463 3.4655 3.5456 3.6599 3.6898 3.9067 3.9314 4.1835 4.2593 4.2954 4.3156 4.4682 4.4899 4.6548 4.6864 4.7741 4.8067 5.4704 5.4990 5.9862 6.0341 6.9623 6.9892 7.1094 7.1363 7.2430 7.2448 7.9953 8.0430 8.2792 8.3100 8.6410 8.6682 8.8664 8.9330 9.2485 9.2798 k = 0.2252 0.3914 0.4756 ( 8832 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2144 -9.2141 -8.1970 -8.1968 -7.0945 -7.0943 -6.8130 -6.8121 -6.7027 -6.7021 -6.5498 -6.5491 -3.9517 -3.9507 -2.2225 -2.2198 0.2367 0.2591 0.5183 0.5231 0.8762 0.9189 1.1606 1.2115 1.7321 1.7728 2.3770 2.3948 2.5382 2.5615 2.6110 2.6589 2.8682 2.9454 3.0177 3.0629 3.1224 3.2223 3.3637 3.4519 3.4720 3.5427 3.6527 3.6843 3.8818 3.9107 4.1914 4.2587 4.2956 4.3130 4.4755 4.5024 4.6636 4.6948 4.7464 4.7916 5.4552 5.4795 5.9853 6.0295 6.9638 6.9914 7.1038 7.1320 7.2473 7.2491 8.0401 8.0898 8.2783 8.3088 8.6341 8.6617 8.8751 8.9358 9.2553 9.2954 k = 0.2154 0.3744 0.4756 ( 8831 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2211 -9.2209 -8.2092 -8.2091 -7.0744 -7.0742 -6.8055 -6.8046 -6.6881 -6.6876 -6.5468 -6.5461 -3.9727 -3.9718 -2.2426 -2.2401 0.2368 0.2584 0.5056 0.5115 0.8537 0.8986 1.1615 1.2125 1.7247 1.7625 2.3775 2.3929 2.5500 2.5775 2.6480 2.6792 2.8655 2.9565 3.0367 3.0810 3.1476 3.2300 3.3635 3.4582 3.4812 3.5402 3.6478 3.6790 3.8491 3.8815 4.2014 4.2561 4.2953 4.3157 4.4773 4.5117 4.6700 4.6956 4.7350 4.7862 5.4413 5.4616 5.9844 6.0251 6.9659 6.9940 7.0978 7.1268 7.2512 7.2550 8.0829 8.1343 8.2794 8.3100 8.6284 8.6570 8.8816 8.9361 9.2587 9.3013 k = 0.2056 0.3573 0.4756 ( 8825 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2284 -9.2282 -8.2218 -8.2216 -7.0527 -7.0525 -6.7977 -6.7969 -6.6727 -6.6722 -6.5434 -6.5428 -3.9956 -3.9947 -2.2634 -2.2611 0.2371 0.2577 0.4933 0.5012 0.8303 0.8775 1.1597 1.2106 1.7127 1.7474 2.3775 2.3928 2.5447 2.6006 2.6751 2.7205 2.8659 2.9698 3.0606 3.0974 3.1758 3.2402 3.3661 3.4654 3.4927 3.5380 3.6451 3.6742 3.8102 3.8454 4.2117 4.2534 4.2916 4.3241 4.4727 4.5144 4.6741 4.6944 4.7392 4.7902 5.4295 5.4466 5.9836 6.0209 6.9684 6.9969 7.0918 7.1213 7.2551 7.2608 8.1229 8.1757 8.2821 8.3130 8.6242 8.6542 8.8861 8.9339 9.2610 9.3047 k = 0.1958 0.3403 0.4756 ( 8828 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2361 -9.2359 -8.2345 -8.2344 -7.0298 -7.0295 -6.7898 -6.7891 -6.6565 -6.6561 -6.5396 -6.5391 -4.0201 -4.0193 -2.2847 -2.2827 0.2373 0.2566 0.4819 0.4925 0.8063 0.8558 1.1555 1.2057 1.6971 1.7285 2.3784 2.3942 2.5368 2.6147 2.6993 2.7703 2.8695 2.9893 3.0839 3.1160 3.2023 3.2523 3.3754 3.4747 3.5052 3.5363 3.6427 3.6698 3.7687 3.8055 4.2189 4.2526 4.2862 4.3336 4.4636 4.5086 4.6814 4.6991 4.7474 4.8019 5.4204 5.4362 5.9827 6.0170 6.9713 7.0000 7.0863 7.1161 7.2586 7.2660 8.1594 8.2131 8.2859 8.3173 8.6214 8.6530 8.8888 8.9296 9.2625 9.3069 k = 0.1860 0.3233 0.4756 ( 8830 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2443 -9.2441 -8.2473 -8.2472 -7.0055 -7.0053 -6.7819 -6.7811 -6.6399 -6.6395 -6.5354 -6.5349 -4.0461 -4.0453 -2.3065 -2.3046 0.2373 0.2550 0.4717 0.4856 0.7820 0.8337 1.1492 1.1984 1.6784 1.7065 2.3811 2.3970 2.5288 2.6206 2.7226 2.8184 2.8768 3.0149 3.1030 3.1399 3.2223 3.2646 3.3959 3.4868 3.5153 3.5375 3.6344 3.6641 3.7337 3.7674 4.2209 4.2535 4.2802 4.3404 4.4532 4.4972 4.6951 4.7080 4.7552 4.8193 5.4151 5.4318 5.9815 6.0133 6.9745 7.0031 7.0815 7.1114 7.2614 7.2703 8.1915 8.2459 8.2905 8.3223 8.6200 8.6534 8.8900 8.9237 9.2634 9.3084 k = 0.1762 0.3063 0.4756 ( 8830 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2527 -9.2525 -8.2601 -8.2600 -6.9802 -6.9799 -6.7739 -6.7732 -6.6231 -6.6226 -6.5308 -6.5303 -4.0733 -4.0726 -2.3284 -2.3267 0.2367 0.2526 0.4631 0.4806 0.7575 0.8112 1.1415 1.1890 1.6573 1.6822 2.3859 2.4013 2.5214 2.6215 2.7429 2.8556 2.8924 3.0430 3.1196 3.1666 3.2338 3.2764 3.4262 3.4980 3.5201 3.5464 3.6123 3.6531 3.7187 3.7408 4.2189 4.2518 4.2748 4.3420 4.4446 4.4852 4.7081 4.7239 4.7626 4.8399 5.4150 5.4344 5.9796 6.0099 6.9778 7.0061 7.0776 7.1075 7.2629 7.2734 8.2187 8.2733 8.2955 8.3280 8.6197 8.6550 8.8899 8.9166 9.2638 9.3090 k = 0.1664 0.2893 0.4756 ( 8841 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2613 -9.2611 -8.2728 -8.2727 -6.9538 -6.9535 -6.7660 -6.7653 -6.6064 -6.6056 -6.5257 -6.5251 -4.1016 -4.1009 -2.3504 -2.3488 0.2353 0.2491 0.4561 0.4778 0.7329 0.7886 1.1329 1.1784 1.6342 1.6561 2.3931 2.4072 2.5152 2.6196 2.7599 2.8727 2.9232 3.0688 3.1367 3.1905 3.2386 3.2884 3.4475 3.4930 3.5366 3.5568 3.5918 3.6420 3.7149 3.7400 4.2151 4.2448 4.2694 4.3377 4.4395 4.4755 4.7171 4.7446 4.7724 4.8617 5.4216 5.4444 5.9768 6.0066 6.9812 7.0090 7.0747 7.1046 7.2630 7.2749 8.2403 8.2949 8.3009 8.3343 8.6204 8.6574 8.8890 8.9089 9.2635 9.3088 k = 0.1566 0.2723 0.4756 ( 8836 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2700 -9.2698 -8.2853 -8.2852 -6.9268 -6.9265 -6.7582 -6.7575 -6.5901 -6.5890 -6.5200 -6.5192 -4.1308 -4.1301 -2.3723 -2.3709 0.2328 0.2445 0.4510 0.4771 0.7083 0.7659 1.1242 1.1671 1.6096 1.6288 2.4025 2.4147 2.5105 2.6165 2.7740 2.8802 2.9573 3.0895 3.1549 3.2030 3.2457 3.2995 3.4283 3.4670 3.5605 3.5791 3.6015 3.6425 3.7157 3.7609 4.2109 4.2339 4.2627 4.3289 4.4378 4.4678 4.7251 4.7594 4.7914 4.8834 5.4359 5.4617 5.9728 6.0034 6.9847 7.0117 7.0726 7.1025 7.2614 7.2748 8.2559 8.3042 8.3130 8.3417 8.6217 8.6602 8.8873 8.9008 9.2624 9.3075 k = 0.1468 0.2552 0.4756 ( 8826 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2787 -9.2785 -8.2975 -8.2974 -6.8992 -6.8988 -6.7506 -6.7499 -6.5746 -6.5730 -6.5135 -6.5124 -4.1605 -4.1599 -2.3939 -2.3926 0.2292 0.2389 0.4476 0.4784 0.6840 0.7432 1.1160 1.1560 1.5838 1.6006 2.4137 2.4240 2.5073 2.6130 2.7854 2.8841 2.9876 3.1050 3.1717 3.1998 3.2610 3.3077 3.3869 3.4229 3.5794 3.6108 3.6346 3.6593 3.7255 3.7931 4.2071 4.2215 4.2554 4.3181 4.4378 4.4609 4.7327 4.7677 4.8193 4.9047 5.4579 5.4863 5.9676 5.9999 6.9881 7.0143 7.0712 7.1014 7.2579 7.2728 8.2652 8.3073 8.3264 8.3503 8.6236 8.6632 8.8849 8.8925 9.2600 9.3051 k = 0.1371 0.2382 0.4756 ( 8824 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2873 -9.2872 -8.3093 -8.3092 -6.8714 -6.8710 -6.7432 -6.7425 -6.5602 -6.5582 -6.5060 -6.5044 -4.1906 -4.1901 -2.4150 -2.4138 0.2246 0.2324 0.4459 0.4813 0.6601 0.7209 1.1088 1.1456 1.5574 1.5721 2.4260 2.4352 2.5055 2.6097 2.7943 2.8847 3.0126 3.1166 3.1767 3.1941 3.2780 3.3038 3.3497 3.3802 3.5943 3.6330 3.6732 3.6855 3.7497 3.8317 4.2038 4.2116 4.2502 4.3072 4.4378 4.4536 4.7405 4.7746 4.8507 4.9256 5.4870 5.5175 5.9612 5.9959 6.9915 7.0166 7.0705 7.1010 7.2523 7.2688 8.2686 8.3072 8.3384 8.3601 8.6259 8.6662 8.8814 8.8839 9.2563 9.3012 k = 0.1273 0.2212 0.4756 ( 8826 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2957 -9.2956 -8.3206 -8.3206 -6.8436 -6.8432 -6.7361 -6.7354 -6.5473 -6.5447 -6.4974 -6.4953 -4.2208 -4.2202 -2.4355 -2.4344 0.2189 0.2251 0.4455 0.4855 0.6368 0.6990 1.1032 1.1366 1.5309 1.5438 2.4384 2.4486 2.5052 2.6068 2.8002 2.8809 3.0320 3.1248 3.1578 3.1957 3.2761 3.2916 3.3312 3.3593 3.6086 3.6546 3.6985 3.7094 3.7895 3.8689 4.1971 4.2133 4.2510 4.2978 4.4369 4.4458 4.7488 4.7821 4.8838 4.9466 5.5222 5.5546 5.9536 5.9915 6.9946 7.0188 7.0702 7.1011 7.2445 7.2626 8.2669 8.3035 8.3503 8.3716 8.6286 8.6691 8.8741 8.8768 9.2509 9.2960 k = 0.1175 0.2042 0.4756 ( 8836 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3039 -9.3038 -8.3314 -8.3314 -6.8162 -6.8158 -6.7294 -6.7286 -6.5360 -6.5330 -6.4874 -6.4850 -4.2507 -4.2502 -2.4553 -2.4543 0.2125 0.2173 0.4460 0.4905 0.6144 0.6780 1.0995 1.1293 1.5046 1.5160 2.4504 2.4639 2.5062 2.6045 2.8022 2.8714 3.0449 3.1272 3.1313 3.1832 3.2560 3.2934 3.3231 3.3642 3.6237 3.6764 3.7155 3.7293 3.8282 3.8955 4.1912 4.2273 4.2604 4.2928 4.4350 4.4384 4.7584 4.7909 4.9177 4.9683 5.5620 5.5964 5.9452 5.9865 6.9974 7.0207 7.0700 7.1016 7.2345 7.2541 8.2609 8.2958 8.3632 8.3852 8.6317 8.6719 8.8632 8.8698 9.2436 9.2894 k = 0.1077 0.1872 0.4756 ( 8845 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3118 -9.3117 -8.3416 -8.3416 -6.7895 -6.7892 -6.7230 -6.7221 -6.5260 -6.5228 -6.4765 -6.4740 -4.2800 -4.2795 -2.4741 -2.4732 0.2055 0.2092 0.4469 0.4956 0.5932 0.6580 1.0979 1.1241 1.4792 1.4892 2.4617 2.4801 2.5086 2.6029 2.7987 2.8546 3.0488 3.1007 3.1248 3.1636 3.2503 3.2892 3.3314 3.3751 3.6396 3.6982 3.7276 3.7474 3.8529 3.9070 4.1866 4.2506 4.2703 4.3047 4.4307 4.4357 4.7702 4.8021 4.9520 4.9909 5.6050 5.6415 5.9361 5.9811 6.9997 7.0223 7.0697 7.1019 7.2222 7.2435 8.2515 8.2846 8.3779 8.4010 8.6353 8.6749 8.8502 8.8603 9.2341 9.2815 k = 0.0979 0.1702 0.4756 ( 8838 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3192 -9.3191 -8.3511 -8.3511 -6.7642 -6.7637 -6.7170 -6.7158 -6.5171 -6.5137 -6.4652 -6.4626 -4.3084 -4.3080 -2.4919 -2.4911 0.1983 0.2012 0.4479 0.5001 0.5739 0.6396 1.0984 1.1210 1.4549 1.4638 2.4722 2.4955 2.5127 2.6019 2.7881 2.8301 3.0387 3.0815 3.1135 3.1519 3.2501 3.2926 3.3422 3.3874 3.6559 3.7196 3.7363 3.7629 3.8603 3.9067 4.1824 4.2585 4.2932 4.3348 4.4273 4.4403 4.7860 4.8171 4.9862 5.0147 5.6494 5.6887 5.9266 5.9755 7.0014 7.0236 7.0688 7.1018 7.2081 7.2308 8.2393 8.2705 8.3949 8.4191 8.6393 8.6784 8.8348 8.8478 9.2220 9.2727 k = 0.0881 0.1531 0.4756 ( 8849 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3261 -9.3260 -8.3599 -8.3599 -6.7408 -6.7401 -6.7110 -6.7094 -6.5088 -6.5054 -6.4540 -6.4515 -4.3356 -4.3352 -2.5084 -2.5077 0.1911 0.1933 0.4484 0.5027 0.5577 0.6229 1.1009 1.1201 1.4321 1.4401 2.4813 2.5070 2.5208 2.6013 2.7691 2.7993 3.0211 3.0705 3.1051 3.1438 3.2540 3.3012 3.3522 3.3998 3.6712 3.7394 3.7421 3.7745 3.8544 3.9011 4.1782 4.2530 4.3263 4.3611 4.4293 4.4558 4.8075 4.8374 5.0202 5.0396 5.6936 5.7365 5.9171 5.9702 7.0019 7.0242 7.0671 7.1006 7.1928 7.2165 8.2254 8.2543 8.4147 8.4399 8.6440 8.6826 8.8168 8.8324 9.2066 9.2629 k = 0.0783 0.1361 0.4756 ( 8850 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3325 -9.3324 -8.3679 -8.3679 -6.7212 -6.7196 -6.7042 -6.7016 -6.5007 -6.4975 -6.4435 -6.4410 -4.3612 -4.3608 -2.5236 -2.5230 0.1840 0.1858 0.4483 0.5012 0.5467 0.6082 1.1052 1.1213 1.4113 1.4184 2.4886 2.5132 2.5326 2.6004 2.7430 2.7658 3.0081 3.0621 3.1012 3.1353 3.2620 3.3127 3.3609 3.4119 3.6832 3.7407 3.7597 3.7806 3.8448 3.8947 4.1743 4.2460 4.3504 4.3749 4.4401 4.4811 4.8366 4.8644 5.0537 5.0655 5.7359 5.7836 5.9082 5.9659 7.0012 7.0238 7.0642 7.0976 7.1778 7.2014 8.2103 8.2368 8.4372 8.4631 8.6493 8.6878 8.7968 8.8145 9.1867 9.2520 k = 0.0685 0.1191 0.4756 ( 8845 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3382 -9.3382 -8.3750 -8.3750 -6.7089 -6.7072 -6.6919 -6.6892 -6.4929 -6.4897 -6.4340 -6.4316 -4.3849 -4.3845 -2.5374 -2.5368 0.1774 0.1788 0.4473 0.4943 0.5422 0.5958 1.1109 1.1242 1.3926 1.3989 2.4939 2.5170 2.5429 2.5984 2.7137 2.7344 3.0019 3.0561 3.0987 3.1260 3.2727 3.3261 3.3680 3.4235 3.6882 3.7335 3.7728 3.7862 3.8406 3.8896 4.1708 4.2384 4.3629 4.3813 4.4574 4.5054 4.8731 4.8980 5.0866 5.0924 5.7744 5.8281 5.9008 5.9633 6.9985 7.0215 7.0601 7.0920 7.1648 7.1867 8.1950 8.2188 8.4620 8.4888 8.6553 8.6943 8.7755 8.7949 9.1611 9.2320 k = 0.0587 0.1021 0.4756 ( 8837 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3433 -9.3433 -8.3813 -8.3813 -6.7026 -6.7016 -6.6758 -6.6738 -6.4850 -6.4821 -6.4257 -6.4235 -4.4062 -4.4060 -2.5495 -2.5490 0.1714 0.1725 0.4455 0.4839 0.5422 0.5856 1.1176 1.1283 1.3763 1.3819 2.4966 2.5191 2.5477 2.5939 2.6869 2.7096 3.0012 3.0524 3.0963 3.1164 3.2852 3.3410 3.3734 3.4342 3.6830 3.7163 3.7789 3.8007 3.8424 3.8864 4.1679 4.2304 4.3694 4.3855 4.4739 4.5221 4.9142 4.9359 5.1188 5.1206 5.8071 5.8666 5.8976 5.9638 6.9933 7.0157 7.0553 7.0838 7.1555 7.1737 8.1802 8.2011 8.4886 8.5167 8.6619 8.7022 8.7545 8.7750 9.1294 9.1898 k = 0.0489 0.0851 0.4756 ( 8835 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3477 -9.3477 -8.3867 -8.3867 -6.6984 -6.6979 -6.6610 -6.6595 -6.4774 -6.4747 -6.4187 -6.4168 -4.4250 -4.4248 -2.5600 -2.5595 0.1661 0.1669 0.4433 0.4729 0.5442 0.5775 1.1246 1.1331 1.3626 1.3674 2.4961 2.5186 2.5453 2.5861 2.6691 2.6936 3.0042 3.0504 3.0934 3.1068 3.2986 3.3573 3.3769 3.4439 3.6688 3.6920 3.7887 3.8161 3.8462 3.8846 4.1661 4.2220 4.3744 4.3897 4.4858 4.5304 4.9556 4.9739 5.1490 5.1510 5.8320 5.8817 5.9153 5.9682 6.9853 7.0050 7.0514 7.0744 7.1498 7.1636 8.1665 8.1844 8.5157 8.5460 8.6688 8.7103 8.7368 8.7565 9.0924 9.1438 k = 0.0392 0.0681 0.4756 ( 8839 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3513 -9.3513 -8.3911 -8.3911 -6.6954 -6.6950 -6.6488 -6.6476 -6.4702 -6.4678 -6.4133 -6.4115 -4.4408 -4.4406 -2.5687 -2.5683 0.1616 0.1622 0.4409 0.4628 0.5467 0.5712 1.1315 1.1379 1.3516 1.3556 2.4917 2.5124 2.5406 2.5756 2.6626 2.6855 3.0096 3.0494 3.0901 3.0977 3.3123 3.3742 3.3791 3.4523 3.6493 3.6662 3.8013 3.8300 3.8498 3.8834 4.1656 4.2133 4.3797 4.3943 4.4932 4.5321 4.9929 5.0078 5.1782 5.1812 5.8484 5.8814 5.9449 5.9768 6.9746 6.9900 7.0489 7.0658 7.1469 7.1564 8.1547 8.1692 8.5417 8.5753 8.6742 8.7106 8.7309 8.7445 9.0523 9.0972 k = 0.0294 0.0510 0.4756 ( 8852 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3542 -9.3542 -8.3946 -8.3946 -6.6931 -6.6929 -6.6392 -6.6383 -6.4637 -6.4618 -6.4092 -6.4078 -4.4534 -4.4533 -2.5755 -2.5752 0.1580 0.1585 0.4388 0.4541 0.5492 0.5663 1.1377 1.1423 1.3433 1.3464 2.4843 2.4998 2.5394 2.5656 2.6637 2.6819 3.0163 3.0487 3.0866 3.0897 3.3258 3.3768 3.3945 3.4584 3.6284 3.6422 3.8143 3.8419 3.8522 3.8816 4.1666 4.2044 4.3855 4.3986 4.4975 4.5293 5.0233 5.0345 5.2057 5.2086 5.8582 5.8804 5.9702 5.9874 6.9627 6.9736 7.0478 7.0592 7.1456 7.1519 8.1452 8.1563 8.5649 8.6012 8.6730 8.7062 8.7281 8.7531 9.0117 9.0512 k = 0.0196 0.0340 0.4756 ( 8847 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3563 -9.3563 -8.3971 -8.3971 -6.6915 -6.6913 -6.6324 -6.6318 -6.4585 -6.4571 -6.4064 -6.4054 -4.4626 -4.4625 -2.5804 -2.5802 0.1554 0.1557 0.4376 0.4473 0.5517 0.5624 1.1426 1.1456 1.3376 1.3397 2.4765 2.4862 2.5411 2.5579 2.6678 2.6802 3.0238 3.0472 3.0828 3.0841 3.3386 3.3737 3.4136 3.4609 3.6104 3.6220 3.8263 3.8494 3.8550 3.8788 4.1694 4.1956 4.3915 4.4018 4.5009 4.5237 5.0455 5.0529 5.2286 5.2306 5.8644 5.8791 5.9890 5.9974 6.9520 6.9589 7.0475 7.0544 7.1453 7.1491 8.1386 8.1461 8.5844 8.6182 8.6684 8.6987 8.7390 8.7697 8.9750 9.0080 k = 0.0098 0.0170 0.4756 ( 8843 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3575 -9.3575 -8.3986 -8.3986 -6.6905 -6.6905 -6.6282 -6.6279 -6.4550 -6.4542 -6.4047 -6.4041 -4.4682 -4.4681 -2.5833 -2.5832 0.1539 0.1541 0.4376 0.4422 0.5541 0.5593 1.1460 1.1475 1.3345 1.3356 2.4713 2.4759 2.5441 2.5522 2.6723 2.6785 3.0313 3.0438 3.0798 3.0810 3.3502 3.3681 3.4321 3.4576 3.5996 3.6068 3.8363 3.8485 3.8622 3.8746 4.1739 4.1874 4.3970 4.4027 4.5049 4.5169 5.0593 5.0630 5.2438 5.2449 5.8693 5.8769 6.0007 6.0040 6.9451 6.9484 7.0479 7.0512 7.1455 7.1474 8.1353 8.1391 8.6003 8.6208 8.6707 8.6887 8.7601 8.7818 8.9504 8.9714 k = 0.0000 0.0000 0.4756 ( 8850 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3579 -9.3579 -8.3991 -8.3991 -6.6902 -6.6902 -6.6268 -6.6268 -6.4535 -6.4535 -6.4040 -6.4040 -4.4700 -4.4700 -2.5843 -2.5843 0.1534 0.1534 0.4390 0.4390 0.5566 0.5566 1.1476 1.1476 1.3338 1.3338 2.4708 2.4708 2.5477 2.5477 2.6759 2.6759 3.0383 3.0383 3.0793 3.0793 3.3601 3.3601 3.4476 3.4476 3.5986 3.5986 3.8438 3.8438 3.8691 3.8691 4.1800 4.1800 4.4010 4.4010 4.5103 4.5103 5.0651 5.0651 5.2495 5.2495 5.8735 5.8735 6.0055 6.0055 6.9436 6.9436 7.0491 7.0491 7.1462 7.1462 8.1354 8.1354 8.6128 8.6128 8.6789 8.6789 8.7785 8.7785 8.9489 8.9489 k = 0.0000 0.0000 0.4756 ( 8850 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3579 -9.3579 -8.3991 -8.3991 -6.6902 -6.6902 -6.6268 -6.6268 -6.4535 -6.4535 -6.4040 -6.4040 -4.4700 -4.4700 -2.5843 -2.5843 0.1534 0.1534 0.4390 0.4390 0.5566 0.5566 1.1476 1.1476 1.3338 1.3338 2.4708 2.4708 2.5477 2.5477 2.6759 2.6759 3.0383 3.0383 3.0793 3.0793 3.3601 3.3601 3.4476 3.4476 3.5986 3.5986 3.8438 3.8438 3.8691 3.8691 4.1800 4.1800 4.4010 4.4010 4.5103 4.5103 5.0651 5.0651 5.2495 5.2495 5.8735 5.8735 6.0055 6.0055 6.9436 6.9436 7.0491 7.0491 7.1462 7.1462 8.1354 8.1354 8.6128 8.6128 8.6789 8.6789 8.7785 8.7785 8.9489 8.9489 k = 0.0172-0.0099 0.4756 ( 8850 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3575 -9.3575 -8.3986 -8.3986 -6.6918 -6.6918 -6.6272 -6.6272 -6.4544 -6.4544 -6.4043 -6.4043 -4.4682 -4.4681 -2.5830 -2.5829 0.1540 0.1542 0.4395 0.4398 0.5572 0.5583 1.1487 1.1489 1.3315 1.3323 2.4717 2.4720 2.5468 2.5487 2.6739 2.6813 3.0316 3.0451 3.0790 3.0809 3.3542 3.3612 3.4456 3.4492 3.5993 3.6040 3.8433 3.8444 3.8673 3.8713 4.1778 4.1797 4.3984 4.4009 4.5055 4.5127 5.0607 5.0612 5.2439 5.2450 5.8672 5.8745 6.0042 6.0056 6.9458 6.9479 7.0492 7.0505 7.1448 7.1473 8.1375 8.1379 8.6120 8.6138 8.6725 8.6861 8.7747 8.7858 8.9458 8.9488 k = 0.0345-0.0198 0.4756 ( 8852 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3561 -9.3561 -8.3970 -8.3970 -6.6968 -6.6968 -6.6286 -6.6285 -6.4572 -6.4572 -6.4054 -6.4054 -4.4627 -4.4626 -2.5792 -2.5791 0.1558 0.1562 0.4412 0.4418 0.5602 0.5625 1.1519 1.1523 1.3255 1.3271 2.4744 2.4744 2.5455 2.5498 2.6761 2.6899 3.0255 3.0516 3.0805 3.0832 3.3444 3.3575 3.4431 3.4503 3.6059 3.6146 3.8424 3.8453 3.8663 3.8736 4.1732 4.1769 4.3931 4.3980 4.4982 4.5125 5.0476 5.0491 5.2291 5.2308 5.8558 5.8696 6.0018 6.0052 6.9540 6.9580 7.0507 7.0534 7.1432 7.1483 8.1438 8.1448 8.6113 8.6146 8.6671 8.6926 8.7756 8.7962 8.9400 8.9458 k = 0.0517-0.0298 0.4756 ( 8842 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3538 -9.3538 -8.3943 -8.3943 -6.7049 -6.7049 -6.6308 -6.6308 -6.4617 -6.4617 -6.4072 -6.4072 -4.4537 -4.4535 -2.5729 -2.5727 0.1589 0.1595 0.4442 0.4450 0.5654 0.5689 1.1572 1.1578 1.3165 1.3190 2.4766 2.4776 2.5431 2.5506 2.6845 2.7025 3.0208 3.0569 3.0844 3.0862 3.3323 3.3503 3.4398 3.4505 3.6173 3.6288 3.8407 3.8467 3.8665 3.8756 4.1663 4.1715 4.3854 4.3927 4.4882 4.5094 5.0254 5.0289 5.2076 5.2092 5.8391 5.8585 5.9986 6.0050 6.9664 6.9725 7.0535 7.0576 7.1418 7.1496 8.1540 8.1557 8.6100 8.6142 8.6622 8.6966 8.7829 8.8099 8.9329 8.9413 k = 0.0690-0.0397 0.4756 ( 8844 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3507 -9.3507 -8.3906 -8.3906 -6.7161 -6.7161 -6.6341 -6.6340 -6.4678 -6.4678 -6.4096 -6.4096 -4.4412 -4.4410 -2.5641 -2.5639 0.1632 0.1640 0.4482 0.4493 0.5727 0.5774 1.1641 1.1648 1.3058 1.3093 2.4771 2.4798 2.5388 2.5510 2.7006 2.7201 3.0177 3.0610 3.0896 3.0910 3.3191 3.3410 3.4356 3.4490 3.6318 3.6448 3.8380 3.8484 3.8676 3.8771 4.1574 4.1635 4.3758 4.3853 4.4749 4.5027 4.9943 5.0009 5.1823 5.1828 5.8173 5.8411 5.9952 6.0056 6.9809 6.9889 7.0574 7.0630 7.1415 7.1521 8.1670 8.1699 8.6072 8.6115 8.6569 8.6966 8.7975 8.8267 8.9267 8.9372 k = 0.0862-0.0496 0.4756 ( 8848 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3467 -9.3467 -8.3859 -8.3858 -6.7302 -6.7302 -6.6383 -6.6383 -6.4754 -6.4754 -6.4128 -6.4127 -4.4256 -4.4253 -2.5530 -2.5527 0.1688 0.1698 0.4534 0.4547 0.5819 0.5879 1.1719 1.1725 1.2951 1.2996 2.4752 2.4798 2.5320 2.5503 2.7244 2.7430 3.0172 3.0647 3.0934 3.1000 3.3057 3.3311 3.4303 3.4455 3.6476 3.6608 3.8344 3.8499 3.8690 3.8782 4.1465 4.1526 4.3649 4.3764 4.4579 4.4915 4.9561 4.9669 5.1536 5.1554 5.7909 5.8185 5.9919 6.0069 6.9947 7.0044 7.0623 7.0687 7.1441 7.1568 8.1820 8.1866 8.6019 8.6051 8.6506 8.6930 8.8182 8.8465 8.9234 8.9355 k = 0.1034-0.0595 0.4756 ( 8832 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3418 -9.3418 -8.3802 -8.3801 -6.7468 -6.7468 -6.6438 -6.6437 -6.4842 -6.4842 -6.4165 -6.4165 -4.4070 -4.4066 -2.5397 -2.5394 0.1755 0.1768 0.4595 0.4611 0.5927 0.6001 1.1794 1.1794 1.2869 1.2922 2.4708 2.4771 2.5232 2.5485 2.7544 2.7700 3.0205 3.0688 3.0974 3.1110 3.2927 3.3215 3.4240 3.4395 3.6632 3.6753 3.8297 3.8503 3.8701 3.8792 4.1339 4.1385 4.3532 4.3667 4.4372 4.4751 4.9141 4.9295 5.1228 5.1278 5.7609 5.7921 5.9887 6.0086 7.0052 7.0163 7.0678 7.0739 7.1511 7.1646 8.1976 8.2044 8.5935 8.5947 8.6430 8.6868 8.8432 8.8683 8.9246 8.9375 k = 0.1207-0.0694 0.4756 ( 8840 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3362 -9.3362 -8.3735 -8.3734 -6.7659 -6.7659 -6.6504 -6.6503 -6.4940 -6.4940 -6.4208 -6.4208 -4.3857 -4.3853 -2.5244 -2.5239 0.1834 0.1849 0.4665 0.4684 0.6047 0.6135 1.1831 1.1847 1.2845 1.2897 2.4637 2.4715 2.5132 2.5456 2.7877 2.7985 3.0289 3.0737 3.1019 3.1245 3.2805 3.3127 3.4166 3.4308 3.6773 3.6871 3.8237 3.8481 3.8699 3.8804 4.1193 4.1203 4.3413 4.3564 4.4138 4.4531 4.8726 4.8924 5.0907 5.0995 5.7289 5.7636 5.9854 6.0101 7.0111 7.0230 7.0736 7.0783 7.1629 7.1758 8.2123 8.2220 8.5811 8.5823 8.6345 8.6787 8.8705 8.8909 8.9313 8.9436 k = 0.1379-0.0794 0.4756 ( 8834 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3298 -9.3298 -8.3659 -8.3658 -6.7870 -6.7870 -6.6585 -6.6583 -6.5045 -6.5045 -6.4256 -6.4256 -4.3622 -4.3617 -2.5071 -2.5066 0.1923 0.1940 0.4743 0.4765 0.6175 0.6279 1.1825 1.1868 1.2900 1.2943 2.4542 2.4634 2.5033 2.5420 2.8213 2.8248 3.0439 3.0796 3.1073 3.1414 3.2692 3.3053 3.4079 3.4191 3.6889 3.6955 3.8161 3.8425 3.8678 3.8814 4.0966 4.1023 4.3290 4.3452 4.3909 4.4268 4.8354 4.8584 5.0571 5.0703 5.6963 5.7346 5.9818 6.0110 7.0122 7.0238 7.0795 7.0829 7.1781 7.1894 8.2245 8.2376 8.5661 8.5698 8.6254 8.6691 8.8985 8.9125 8.9435 8.9534 k = 0.1552-0.0893 0.4756 ( 8848 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3228 -9.3228 -8.3574 -8.3574 -6.8098 -6.8098 -6.6680 -6.6679 -6.5153 -6.5152 -6.4309 -6.4309 -4.3366 -4.3361 -2.4882 -2.4877 0.2021 0.2042 0.4829 0.4853 0.6307 0.6426 1.1787 1.1862 1.3034 1.3064 2.4426 2.4534 2.4938 2.5380 2.8456 2.8518 3.0645 3.0858 3.1157 3.1627 3.2591 3.2996 3.3980 3.4042 3.6971 3.7000 3.8062 3.8326 3.8637 3.8812 4.0666 4.0816 4.3156 4.3314 4.3736 4.4000 4.8048 4.8294 5.0219 5.0399 5.6648 5.7069 5.9776 6.0108 7.0093 7.0197 7.0854 7.0881 7.1943 7.2040 8.2323 8.2493 8.5523 8.5582 8.6159 8.6584 8.9256 8.9316 8.9608 8.9663 k = 0.1724-0.0992 0.4756 ( 8850 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3151 -9.3151 -8.3482 -8.3481 -6.8341 -6.8341 -6.6792 -6.6790 -6.5260 -6.5260 -6.4366 -6.4366 -4.3094 -4.3088 -2.4678 -2.4672 0.2128 0.2151 0.4920 0.4947 0.6438 0.6573 1.1742 1.1851 1.3225 1.3243 2.4296 2.4422 2.4853 2.5339 2.8595 2.8770 3.0831 3.0918 3.1329 3.1885 3.2509 3.2961 3.3864 3.3869 3.7004 3.7009 3.7936 3.8175 3.8580 3.8788 4.0309 4.0561 4.3000 4.3158 4.3648 4.3780 4.7813 4.8061 4.9850 5.0082 5.6359 5.6817 5.9726 6.0091 7.0035 7.0123 7.0910 7.0937 7.2098 7.2181 8.2342 8.2551 8.5420 8.5498 8.6059 8.6469 8.9482 8.9501 8.9814 8.9821 k = 0.1897-0.1091 0.4756 ( 8842 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3069 -9.3069 -8.3382 -8.3381 -6.8596 -6.8596 -6.6921 -6.6919 -6.5365 -6.5364 -6.4426 -6.4426 -4.2809 -4.2803 -2.4461 -2.4455 0.2240 0.2267 0.5017 0.5047 0.6565 0.6714 1.1715 1.1855 1.3457 1.3465 2.4158 2.4302 2.4775 2.5299 2.8674 2.8961 3.0921 3.0965 3.1599 3.2156 3.2475 3.2955 3.3671 3.3747 3.6968 3.6993 3.7781 3.7949 3.8518 3.8737 3.9935 4.0255 4.2837 4.3027 4.3621 4.3636 4.7639 4.7879 4.9469 4.9755 5.6110 5.6603 5.9664 6.0057 6.9958 7.0029 7.0960 7.0992 7.2235 7.2308 8.2295 8.2539 8.5368 8.5463 8.5956 8.6350 8.9631 8.9704 9.0009 9.0032 k = 0.2069-0.1190 0.4756 ( 8850 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2982 -9.2982 -8.3276 -8.3275 -6.8858 -6.8858 -6.7066 -6.7064 -6.5464 -6.5463 -6.4489 -6.4489 -4.2514 -4.2508 -2.4235 -2.4228 0.2357 0.2388 0.5119 0.5151 0.6686 0.6846 1.1722 1.1889 1.3717 1.3717 2.4022 2.4183 2.4703 2.5261 2.8706 2.9092 3.0943 3.0996 3.1801 3.2362 3.2570 3.2948 3.3532 3.3623 3.6888 3.6913 3.7601 3.7623 3.8464 3.8670 3.9607 3.9919 4.2706 4.2945 4.3546 4.3626 4.7515 4.7735 4.9083 4.9419 5.5913 5.6436 5.9590 6.0003 6.9872 6.9927 7.1003 7.1042 7.2346 7.2413 8.2185 8.2457 8.5369 8.5477 8.5852 8.6233 8.9766 8.9862 9.0223 9.0248 k = 0.2241-0.1289 0.4756 ( 8840 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2891 -9.2891 -8.3164 -8.3163 -6.9126 -6.9126 -6.7227 -6.7225 -6.5556 -6.5556 -6.4554 -6.4553 -4.2215 -4.2208 -2.4001 -2.3994 0.2476 0.2511 0.5225 0.5259 0.6799 0.6968 1.1771 1.1963 1.3991 1.3997 2.3892 2.4069 2.4637 2.5225 2.8703 2.9176 3.0926 3.1005 3.1815 3.2432 3.2807 3.2810 3.3523 3.3599 3.6736 3.6768 3.7231 3.7414 3.8427 3.8609 3.9366 3.9602 4.2627 4.2912 4.3478 4.3642 4.7427 4.7613 4.8708 4.9080 5.5777 5.6324 5.9501 5.9928 6.9782 6.9823 7.1036 7.1082 7.2430 7.2493 8.2025 8.2317 8.5404 8.5530 8.5748 8.6126 8.9886 8.9987 9.0444 9.0459 k = 0.2414-0.1389 0.4756 ( 8838 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2797 -9.2797 -8.3047 -8.3046 -6.9396 -6.9395 -6.7402 -6.7400 -6.5641 -6.5640 -6.4619 -6.4619 -4.1913 -4.1906 -2.3762 -2.3755 0.2595 0.2634 0.5334 0.5370 0.6906 0.7080 1.1866 1.2080 1.4277 1.4290 2.3775 2.3964 2.4573 2.5190 2.8671 2.9224 3.0874 3.0985 3.1718 3.2305 3.2616 3.2960 3.3528 3.3787 3.6417 3.6572 3.6941 3.7249 3.8407 3.8569 3.9215 3.9356 4.2599 4.2921 4.3406 4.3652 4.7364 4.7483 4.8370 4.8744 5.5709 5.6270 5.9397 5.9829 6.9694 6.9725 7.1056 7.1110 7.2486 7.2548 8.1833 8.2140 8.5444 8.5581 8.5672 8.6042 8.9990 9.0090 9.0663 9.0663 k = 0.2586-0.1488 0.4756 ( 8842 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2702 -9.2701 -8.2927 -8.2926 -6.9664 -6.9664 -6.7587 -6.7585 -6.5718 -6.5717 -6.4684 -6.4684 -4.1612 -4.1606 -2.3521 -2.3514 0.2709 0.2753 0.5445 0.5483 0.7010 0.7184 1.2007 1.2238 1.4571 1.4590 2.3673 2.3874 2.4511 2.5155 2.8611 2.9246 3.0785 3.0923 3.1569 3.1952 3.2521 3.2905 3.3622 3.3918 3.5995 3.6347 3.6807 3.7145 3.8396 3.8549 3.9150 3.9227 4.2609 4.2960 4.3318 4.3644 4.7305 4.7316 4.8115 4.8420 5.5711 5.6276 5.9277 5.9708 6.9612 6.9636 7.1062 7.1123 7.2515 7.2576 8.1624 8.1941 8.5454 8.5512 8.5729 8.6002 9.0080 9.0175 9.0859 9.0874 k = 0.2759-0.1587 0.4756 ( 8836 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2605 -9.2605 -8.2804 -8.2803 -6.9929 -6.9929 -6.7781 -6.7779 -6.5788 -6.5787 -6.4749 -6.4749 -4.1317 -4.1310 -2.3281 -2.3274 0.2817 0.2865 0.5558 0.5596 0.7116 0.7285 1.2190 1.2435 1.4867 1.4891 2.3592 2.3800 2.4449 2.5120 2.8517 2.9249 3.0651 3.0776 3.1391 3.1543 3.2433 3.2761 3.3584 3.3919 3.5674 3.6122 3.6747 3.7120 3.8378 3.8525 3.9192 3.9248 4.2637 4.3023 4.3216 4.3604 4.7055 4.7270 4.7969 4.8120 5.5783 5.6342 5.9144 5.9564 6.9539 6.9560 7.1053 7.1120 7.2517 7.2578 8.1412 8.1735 8.5411 8.5414 8.5822 8.6015 9.0155 9.0245 9.1048 9.1075 k = 0.2931-0.1686 0.4756 ( 8834 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2508 -9.2508 -8.2681 -8.2680 -7.0188 -7.0188 -6.7979 -6.7976 -6.5850 -6.5849 -6.4813 -6.4813 -4.1029 -4.1022 -2.3045 -2.3037 0.2917 0.2968 0.5671 0.5710 0.7228 0.7389 1.2409 1.2665 1.5159 1.5188 2.3531 2.3744 2.4385 2.5081 2.8375 2.9238 3.0448 3.0475 3.1200 3.1221 3.2321 3.2597 3.3336 3.3797 3.5516 3.5922 3.6734 3.7142 3.8338 3.8475 3.9361 3.9430 4.2647 4.3101 4.3124 4.3526 4.6765 4.7203 4.7867 4.7907 5.5919 5.6463 5.8997 5.9399 6.9478 6.9498 7.1027 7.1098 7.2495 7.2557 8.1205 8.1531 8.5310 8.5337 8.5914 8.6061 9.0217 9.0303 9.1228 9.1266 k = 0.3103-0.1785 0.4756 ( 8826 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2413 -9.2413 -8.2558 -8.2557 -7.0437 -7.0437 -6.8177 -6.8175 -6.5907 -6.5906 -6.4874 -6.4874 -4.0751 -4.0745 -2.2814 -2.2807 0.3005 0.3060 0.5783 0.5822 0.7350 0.7501 1.2657 1.2920 1.5443 1.5476 2.3493 2.3707 2.4313 2.5036 2.8168 2.9218 2.9932 3.0271 3.1006 3.1020 3.2184 3.2432 3.2963 3.3601 3.5461 3.5765 3.6748 3.7169 3.8280 3.8399 3.9641 3.9745 4.2579 4.3105 4.3179 4.3417 4.6479 4.7083 4.7695 4.7892 5.6112 5.6632 5.8840 5.9216 6.9429 6.9452 7.0986 7.1059 7.2451 7.2515 8.1009 8.1334 8.5212 8.5243 8.5999 8.6120 9.0267 9.0349 9.1400 9.1445 k = 0.3276-0.1885 0.4756 ( 8832 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2321 -9.2321 -8.2437 -8.2436 -7.0674 -7.0674 -6.8373 -6.8371 -6.5957 -6.5956 -6.4933 -6.4933 -4.0488 -4.0482 -2.2593 -2.2586 0.3081 0.3138 0.5894 0.5932 0.7485 0.7624 1.2927 1.3194 1.5712 1.5749 2.3476 2.3687 2.4231 2.4979 2.7882 2.9179 2.9347 3.0070 3.0817 3.0857 3.2027 3.2269 3.2565 3.3372 3.5449 3.5655 3.6769 3.7179 3.8208 3.8307 3.9998 4.0139 4.2420 4.3145 4.3179 4.3388 4.6223 4.6900 4.7612 4.7903 5.6350 5.6840 5.8675 5.9019 6.9393 6.9421 7.0929 7.1003 7.2388 7.2453 8.0829 8.1147 8.5119 8.5145 8.6076 8.6179 9.0304 9.0383 9.1562 9.1611 k = 0.3448-0.1984 0.4756 ( 8834 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2233 -9.2232 -8.2320 -8.2319 -7.0897 -7.0897 -6.8563 -6.8561 -6.6002 -6.6001 -6.4988 -6.4988 -4.0241 -4.0235 -2.2383 -2.2376 0.3144 0.3202 0.6001 0.6037 0.7634 0.7759 1.3211 1.3479 1.5964 1.6005 2.3478 2.3682 2.4133 2.4902 2.7523 2.8703 2.9183 2.9901 3.0638 3.0693 3.1863 3.2064 3.2236 3.3135 3.5456 3.5594 3.6782 3.7170 3.8124 3.8208 4.0391 4.0558 4.2218 4.2950 4.3317 4.3496 4.6008 4.6686 4.7589 4.7927 5.6623 5.7078 5.8507 5.8814 6.9370 6.9404 7.0860 7.0931 7.2310 7.2375 8.0665 8.0971 8.5031 8.5049 8.6145 8.6234 9.0330 9.0406 9.1712 9.1764 k = 0.3621-0.2083 0.4756 ( 8834 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2149 -9.2149 -8.2209 -8.2208 -7.1104 -7.1104 -6.8743 -6.8741 -6.6042 -6.6041 -6.5039 -6.5039 -4.0013 -4.0008 -2.2187 -2.2181 0.3196 0.3252 0.6103 0.6137 0.7794 0.7905 1.3502 1.3766 1.6196 1.6238 2.3494 2.3685 2.4014 2.4795 2.7122 2.8116 2.9160 2.9777 3.0478 3.0520 3.1699 3.1739 3.2068 3.2903 3.5480 3.5575 3.6782 3.7144 3.8029 3.8107 4.0782 4.0947 4.2016 4.2705 4.3500 4.3644 4.5836 4.6469 4.7595 4.7958 5.6916 5.7333 5.8340 5.8604 6.9359 6.9399 7.0780 7.0848 7.2219 7.2285 8.0519 8.0808 8.4950 8.4959 8.6209 8.6286 9.0345 9.0418 9.1850 9.1901 k = 0.3793-0.2182 0.4756 ( 8832 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2072 -9.2072 -8.2104 -8.2104 -7.1292 -7.1291 -6.8911 -6.8909 -6.6076 -6.6076 -6.5085 -6.5085 -3.9806 -3.9801 -2.2009 -2.2003 0.3236 0.3290 0.6198 0.6229 0.7963 0.8060 1.3793 1.4050 1.6403 1.6446 2.3511 2.3686 2.3877 2.4646 2.6730 2.7579 2.9145 2.9692 3.0342 3.0349 3.1405 3.1538 3.1954 3.2685 3.5518 3.5589 3.6764 3.7102 3.7929 3.8010 4.1135 4.1232 4.1870 4.2446 4.3724 4.3815 4.5705 4.6266 4.7616 4.7990 5.7215 5.7595 5.8181 5.8397 6.9359 6.9405 7.0694 7.0755 7.2121 7.2185 8.0391 8.0658 8.4875 8.4877 8.6269 8.6334 9.0351 9.0418 9.1972 9.2022 k = 0.3966-0.2281 0.4756 ( 8834 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2002 -9.2002 -8.2009 -8.2009 -7.1459 -7.1459 -6.9063 -6.9062 -6.6106 -6.6106 -6.5126 -6.5126 -3.9622 -3.9618 -2.1849 -2.1843 0.3267 0.3317 0.6285 0.6312 0.8134 0.8217 1.4076 1.4320 1.6586 1.6628 2.3486 2.3669 2.3756 2.4454 2.6397 2.7117 2.9137 2.9638 3.0192 3.0233 3.1102 3.1379 3.1860 3.2483 3.5571 3.5628 3.6726 3.7040 3.7835 3.7923 4.1297 4.1416 4.1892 4.2207 4.3979 4.4005 4.5613 4.6082 4.7646 4.8018 5.7501 5.7849 5.8041 5.8200 6.9368 6.9417 7.0605 7.0659 7.2020 7.2081 8.0281 8.0521 8.4804 8.4808 8.6327 8.6380 9.0347 9.0409 9.2079 9.2125 k = 0.4138-0.2381 0.4756 ( 8828 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1941 -9.1941 -8.1925 -8.1925 -7.1603 -7.1603 -6.9197 -6.9196 -6.6132 -6.6131 -6.5162 -6.5162 -3.9464 -3.9460 -2.1709 -2.1705 0.3290 0.3334 0.6362 0.6386 0.8299 0.8369 1.4344 1.4568 1.6743 1.6783 2.3347 2.3598 2.3727 2.4251 2.6150 2.6740 2.9137 2.9605 3.0066 3.0147 3.0841 3.1219 3.1780 3.2302 3.5638 3.5685 3.6665 3.6951 3.7759 3.7853 4.1197 4.1548 4.2036 4.2066 4.4203 4.4245 4.5555 4.5924 4.7683 4.8039 5.7708 5.7977 5.8005 5.8099 6.9383 6.9434 7.0520 7.0565 7.1921 7.1978 8.0191 8.0399 8.4742 8.4750 8.6381 8.6424 9.0337 9.0391 9.2169 9.2209 k = 0.4310-0.2480 0.4756 ( 8824 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1890 -9.1890 -8.1854 -8.1853 -7.1724 -7.1724 -6.9311 -6.9310 -6.6152 -6.6152 -6.5192 -6.5191 -3.9332 -3.9329 -2.1593 -2.1589 0.3307 0.3344 0.6428 0.6447 0.8452 0.8508 1.4589 1.4786 1.6873 1.6908 2.3143 2.3434 2.3755 2.4102 2.5989 2.6447 2.9147 2.9583 2.9980 3.0077 3.0636 3.1056 3.1718 3.2141 3.5718 3.5754 3.6585 3.6833 3.7710 3.7801 4.1073 4.1461 4.2106 4.2174 4.4394 4.4493 4.5530 4.5797 4.7726 4.8048 5.7694 5.7851 5.8123 5.8298 6.9402 6.9451 7.0442 7.0478 7.1830 7.1881 8.0120 8.0291 8.4691 8.4700 8.6431 8.6465 9.0323 9.0369 9.2241 9.2274 k = 0.4483-0.2579 0.4756 ( 8826 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1849 -9.1849 -8.1796 -8.1796 -7.1819 -7.1819 -6.9402 -6.9401 -6.6168 -6.6168 -6.5215 -6.5215 -3.9228 -3.9225 -2.1500 -2.1498 0.3320 0.3348 0.6481 0.6496 0.8584 0.8626 1.4802 1.4962 1.6977 1.7005 2.2941 2.3199 2.3794 2.4023 2.5895 2.6229 2.9167 2.9555 2.9936 3.0019 3.0501 3.0895 3.1677 3.2002 3.5811 3.5833 3.6489 3.6691 3.7687 3.7765 4.0972 4.1290 4.2208 4.2275 4.4562 4.4691 4.5533 4.5705 4.7774 4.8043 5.7615 5.7717 5.8322 5.8465 6.9423 6.9466 7.0376 7.0403 7.1754 7.1795 8.0068 8.0200 8.4652 8.4661 8.6475 8.6500 9.0309 9.0345 9.2295 9.2321 k = 0.4655-0.2678 0.4756 ( 8828 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1819 -9.1819 -8.1754 -8.1754 -7.1888 -7.1888 -6.9468 -6.9467 -6.6180 -6.6180 -6.5232 -6.5232 -3.9152 -3.9151 -2.1433 -2.1432 0.3330 0.3349 0.6521 0.6531 0.8686 0.8715 1.4974 1.5087 1.7053 1.7073 2.2782 2.2966 2.3835 2.3978 2.5854 2.6070 2.9202 2.9501 2.9927 2.9983 3.0437 3.0740 3.1661 3.1884 3.5914 3.5918 3.6388 3.6538 3.7685 3.7740 4.0909 4.1129 4.2294 4.2341 4.4696 4.4817 4.5557 4.5651 4.7827 4.8022 5.7551 5.7613 5.8485 5.8584 6.9444 6.9475 7.0328 7.0345 7.1697 7.1726 8.0038 8.0127 8.4624 8.4631 8.6511 8.6527 9.0298 9.0322 9.2333 9.2351 k = 0.4828-0.2777 0.4756 ( 8826 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1801 -9.1801 -8.1729 -8.1729 -7.1930 -7.1930 -6.9508 -6.9507 -6.6187 -6.6187 -6.5242 -6.5242 -3.9107 -3.9106 -2.1393 -2.1392 0.3337 0.3347 0.6546 0.6551 0.8753 0.8768 1.5095 1.5154 1.7101 1.7112 2.2694 2.2789 2.3873 2.3943 2.5854 2.5960 2.9258 2.9420 2.9940 2.9969 3.0437 3.0602 3.1674 3.1788 3.6003 3.6017 3.6299 3.6391 3.7693 3.7722 4.0892 4.1004 4.2350 4.2374 4.4792 4.4864 4.5587 4.5627 4.7884 4.7986 5.7515 5.7545 5.8598 5.8649 6.9461 6.9477 7.0299 7.0307 7.1664 7.1679 8.0028 8.0074 8.4608 8.4612 8.6535 8.6542 9.0292 9.0305 9.2357 9.2366 k = 0.5000-0.2877 0.4756 ( 8822 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1795 -9.1795 -8.1720 -8.1720 -7.1944 -7.1944 -6.9521 -6.9521 -6.6189 -6.6189 -6.5245 -6.5245 -3.9091 -3.9091 -2.1379 -2.1379 0.3343 0.3343 0.6556 0.6556 0.8781 0.8781 1.5156 1.5156 1.7121 1.7121 2.2694 2.2694 2.3909 2.3909 2.5889 2.5889 2.9333 2.9333 2.9957 2.9957 3.0496 3.0496 3.1717 3.1717 3.6062 3.6062 3.6284 3.6284 3.7707 3.7707 4.0923 4.0923 4.2377 4.2377 4.4850 4.4850 4.5611 4.5611 4.7938 4.7938 5.7512 5.7512 5.8653 5.8653 6.9472 6.9472 7.0292 7.0292 7.1658 7.1658 8.0040 8.0040 8.4604 8.4604 8.6545 8.6545 9.0294 9.0294 9.2368 9.2368 k = 0.5000-0.2877 0.4756 ( 8822 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1795 -9.1795 -8.1720 -8.1720 -7.1944 -7.1944 -6.9521 -6.9521 -6.6189 -6.6189 -6.5245 -6.5245 -3.9091 -3.9091 -2.1379 -2.1379 0.3343 0.3343 0.6556 0.6556 0.8781 0.8781 1.5156 1.5156 1.7121 1.7121 2.2694 2.2694 2.3909 2.3909 2.5889 2.5889 2.9333 2.9333 2.9957 2.9957 3.0496 3.0496 3.1717 3.1717 3.6062 3.6062 3.6284 3.6284 3.7707 3.7707 4.0923 4.0923 4.2377 4.2377 4.4850 4.4850 4.5611 4.5611 4.7938 4.7938 5.7512 5.7512 5.8653 5.8653 6.9472 6.9472 7.0292 7.0292 7.1658 7.1658 8.0040 8.0040 8.4604 8.4604 8.6545 8.6545 9.0294 9.0294 9.2368 9.2368 k = 0.5099-0.2705 0.4756 ( 8826 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1794 -9.1794 -8.1718 -8.1717 -7.1942 -7.1942 -6.9520 -6.9519 -6.6207 -6.6205 -6.5243 -6.5241 -3.9086 -3.9084 -2.1374 -2.1370 0.3337 0.3358 0.6546 0.6568 0.8769 0.8805 1.5055 1.5186 1.7039 1.7201 2.2685 2.2734 2.3882 2.3935 2.5864 2.5893 2.9317 2.9344 2.9833 3.0108 3.0412 3.0596 3.1682 3.1745 3.5947 3.6073 3.6185 3.6374 3.7489 3.8008 4.0839 4.1068 4.2368 4.2404 4.4687 4.5016 4.5426 4.5833 4.7888 4.7992 5.7455 5.7563 5.8594 5.8654 6.9465 6.9508 7.0284 7.0304 7.1652 7.1660 7.9998 8.0037 8.4554 8.4623 8.6533 8.6541 9.0281 9.0315 9.2356 9.2363 k = 0.5197-0.2534 0.4756 ( 8829 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1791 -9.1790 -8.1710 -8.1710 -7.1938 -7.1938 -6.9515 -6.9514 -6.6257 -6.6254 -6.5236 -6.5232 -3.9069 -3.9066 -2.1356 -2.1348 0.3341 0.3383 0.6538 0.6580 0.8771 0.8841 1.4894 1.5138 1.6965 1.7267 2.2706 2.2803 2.3853 2.3958 2.5818 2.5878 2.9299 2.9339 2.9745 3.0274 3.0347 3.0714 3.1638 3.1770 3.5679 3.6026 3.6230 3.6307 3.7461 3.8278 4.0839 4.1259 4.2380 4.2445 4.4547 4.5070 4.5392 4.6074 4.7841 4.8050 5.7388 5.7606 5.8481 5.8601 6.9487 6.9571 7.0281 7.0321 7.1644 7.1660 7.9909 7.9988 8.4478 8.4613 8.6500 8.6519 9.0276 9.0344 9.2326 9.2340 k = 0.5296-0.2362 0.4756 ( 8827 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1785 -9.1784 -8.1697 -8.1697 -7.1932 -7.1932 -6.9507 -6.9505 -6.6335 -6.6330 -6.5227 -6.5222 -3.9040 -3.9036 -2.1325 -2.1313 0.3354 0.3417 0.6533 0.6593 0.8787 0.8888 1.4685 1.5014 1.6898 1.7310 2.2754 2.2902 2.3825 2.3981 2.5756 2.5846 2.9270 2.9302 2.9708 3.0268 3.0480 3.0845 3.1583 3.1798 3.5391 3.5777 3.6287 3.6352 3.7548 3.8455 4.0946 4.1486 4.2411 4.2496 4.4434 4.4943 4.5575 4.6329 4.7800 4.8112 5.7303 5.7630 5.8328 5.8508 6.9535 6.9656 7.0283 7.0342 7.1634 7.1657 7.9775 7.9893 8.4387 8.4581 8.6442 8.6480 9.0280 9.0379 9.2277 9.2295 k = 0.5395-0.2190 0.4756 ( 8832 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1777 -9.1776 -8.1680 -8.1679 -7.1923 -7.1923 -6.9496 -6.9493 -6.6435 -6.6429 -6.5220 -6.5214 -3.9002 -3.8997 -2.1283 -2.1267 0.3375 0.3459 0.6529 0.6604 0.8820 0.8949 1.4439 1.4823 1.6835 1.7322 2.2826 2.3027 2.3798 2.4004 2.5682 2.5805 2.9194 2.9257 2.9715 3.0207 3.0685 3.0974 3.1525 3.1833 3.5128 3.5423 3.6388 3.6484 3.7638 3.8525 4.1156 4.1737 4.2459 4.2556 4.4351 4.4793 4.5816 4.6590 4.7769 4.8178 5.7186 5.7606 5.8167 5.8399 6.9606 6.9758 7.0290 7.0367 7.1620 7.1649 7.9598 7.9753 8.4293 8.4539 8.6358 8.6425 9.0292 9.0421 9.2203 9.2226 k = 0.5493-0.2019 0.4756 ( 8830 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1768 -9.1767 -8.1658 -8.1656 -7.1912 -7.1912 -6.9482 -6.9478 -6.6552 -6.6545 -6.5218 -6.5212 -3.8956 -3.8949 -2.1229 -2.1210 0.3403 0.3509 0.6528 0.6614 0.8873 0.9025 1.4166 1.4581 1.6764 1.7300 2.2920 2.3174 2.3775 2.4030 2.5602 2.5761 2.9064 2.9215 2.9737 3.0157 3.0898 3.1075 3.1489 3.1881 3.4896 3.5084 3.6532 3.6640 3.7692 3.8514 4.1435 4.1989 4.2521 4.2631 4.4299 4.4658 4.6079 4.6839 4.7764 4.8248 5.7018 5.7483 5.8049 5.8312 6.9694 6.9872 7.0302 7.0397 7.1604 7.1638 7.9380 7.9570 8.4209 8.4501 8.6247 8.6354 9.0308 9.0466 9.2101 9.2133 k = 0.5592-0.1847 0.4756 ( 8839 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1757 -9.1756 -8.1632 -8.1630 -7.1899 -7.1899 -6.9464 -6.9459 -6.6681 -6.6674 -6.5224 -6.5217 -3.8903 -3.8895 -2.1167 -2.1144 0.3437 0.3563 0.6527 0.6621 0.8948 0.9117 1.3871 1.4300 1.6679 1.7245 2.3031 2.3337 2.3761 2.4061 2.5520 2.5719 2.8892 2.9160 2.9730 3.0140 3.1083 3.1123 3.1526 3.1944 3.4650 3.4852 3.6701 3.6804 3.7706 3.8466 4.1733 4.2207 4.2590 4.2738 4.4276 4.4554 4.6350 4.7035 4.7823 4.8324 5.6790 5.7252 5.7984 5.8274 6.9794 6.9992 7.0319 7.0433 7.1584 7.1622 7.9124 7.9348 8.4146 8.4478 8.6118 8.6271 9.0326 9.0511 9.1969 9.2016 k = 0.5691-0.1676 0.4756 ( 8836 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1746 -9.1744 -8.1602 -8.1600 -7.1885 -7.1885 -6.9443 -6.9437 -6.6817 -6.6809 -6.5238 -6.5230 -3.8845 -3.8836 -2.1097 -2.1071 0.3476 0.3622 0.6527 0.6624 0.9048 0.9228 1.3563 1.3994 1.6577 1.7158 2.3153 2.3500 2.3767 2.4100 2.5442 2.5681 2.8676 2.9087 2.9672 3.0174 3.1045 3.1311 3.1642 3.2022 3.4391 3.4747 3.6856 3.6973 3.7703 3.8429 4.1992 4.2373 4.2666 4.2895 4.4276 4.4493 4.6620 4.7127 4.7994 4.8411 5.6508 5.6958 5.7945 5.8284 6.9899 7.0110 7.0344 7.0474 7.1561 7.1601 7.8838 7.9094 8.4112 8.4478 8.5975 8.6183 9.0341 9.0550 9.1814 9.1881 k = 0.5789-0.1504 0.4756 ( 8829 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1734 -9.1732 -8.1569 -8.1567 -7.1869 -7.1869 -6.9418 -6.9412 -6.6957 -6.6949 -6.5260 -6.5252 -3.8786 -3.8776 -2.1022 -2.0992 0.3516 0.3683 0.6526 0.6624 0.9173 0.9360 1.3245 1.3672 1.6457 1.7046 2.3280 2.3613 2.3836 2.4153 2.5371 2.5650 2.8416 2.8983 2.9581 3.0243 3.0976 3.1488 3.1792 3.2117 3.4173 3.4719 3.6928 3.7151 3.7718 3.8448 4.2142 4.2515 4.2767 4.3069 4.4296 4.4482 4.6866 4.7123 4.8260 4.8523 5.6193 5.6639 5.7923 5.8322 7.0001 7.0218 7.0379 7.0522 7.1535 7.1576 7.8530 7.8814 8.4112 8.4508 8.5828 8.6094 9.0348 9.0576 9.1645 9.1733 k = 0.5888-0.1333 0.4756 ( 8833 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1723 -9.1720 -8.1533 -8.1531 -7.1852 -7.1852 -6.9390 -6.9383 -6.7097 -6.7089 -6.5291 -6.5282 -3.8728 -3.8717 -2.0943 -2.0911 0.3558 0.3743 0.6523 0.6621 0.9324 0.9514 1.2922 1.3341 1.6322 1.6915 2.3400 2.3651 2.3986 2.4228 2.5312 2.5626 2.8121 2.8834 2.9489 3.0328 3.0916 3.1645 3.1935 3.2238 3.4007 3.4746 3.6903 3.7276 3.7809 3.8553 4.2184 4.2606 4.2935 4.3218 4.4344 4.4514 4.6991 4.7140 4.8543 4.8704 5.5865 5.6319 5.7913 5.8370 7.0094 7.0301 7.0433 7.0578 7.1507 7.1548 7.8208 7.8520 8.4149 8.4568 8.5680 8.6012 9.0343 9.0581 9.1481 9.1580 k = 0.5987-0.1161 0.4756 ( 8832 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1713 -9.1710 -8.1496 -8.1494 -7.1834 -7.1834 -6.9358 -6.9350 -6.7234 -6.7226 -6.5328 -6.5320 -3.8673 -3.8662 -2.0864 -2.0829 0.3598 0.3801 0.6516 0.6615 0.9500 0.9691 1.2600 1.3008 1.6177 1.6774 2.3500 2.3669 2.4147 2.4337 2.5275 2.5611 2.7800 2.8636 2.9415 3.0415 3.0873 3.1792 3.2039 3.2396 3.3891 3.4815 3.6807 3.7297 3.8008 3.8740 4.2174 4.2636 4.3138 4.3323 4.4421 4.4572 4.6912 4.7259 4.8775 4.9003 5.5545 5.6017 5.7911 5.8420 7.0173 7.0352 7.0503 7.0647 7.1477 7.1520 7.7884 7.8222 8.4223 8.4659 8.5538 8.5942 9.0319 9.0555 9.1340 9.1434 k = 0.6085-0.0990 0.4756 ( 8827 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1704 -9.1701 -8.1458 -8.1456 -7.1816 -7.1815 -6.9322 -6.9313 -6.7364 -6.7356 -6.5372 -6.5363 -3.8625 -3.8612 -2.0786 -2.0749 0.3634 0.3855 0.6505 0.6606 0.9697 0.9890 1.2281 1.2679 1.6030 1.6630 2.3558 2.3699 2.4285 2.4479 2.5273 2.5605 2.7468 2.8401 2.9361 3.0497 3.0848 3.1931 3.2104 3.2583 3.3817 3.4914 3.6675 3.7253 3.8268 3.8977 4.2143 4.2636 4.3324 4.3391 4.4514 4.4645 4.6789 4.7318 4.9014 4.9335 5.5252 5.5753 5.7915 5.8468 7.0229 7.0384 7.0575 7.0728 7.1447 7.1494 7.7569 7.7931 8.4334 8.4772 8.5404 8.5890 9.0269 9.0491 9.1227 9.1313 k = 0.6184-0.0818 0.4756 ( 8827 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1698 -9.1695 -8.1420 -8.1417 -7.1796 -7.1795 -6.9282 -6.9273 -6.7486 -6.7478 -6.5420 -6.5410 -3.8585 -3.8572 -2.0712 -2.0673 0.3666 0.3902 0.6490 0.6595 0.9911 1.0108 1.1969 1.2359 1.5889 1.6493 2.3571 2.3742 2.4401 2.4619 2.5331 2.5608 2.7139 2.8150 2.9321 3.0566 3.0838 3.2055 3.2157 3.2777 3.3775 3.5028 3.6531 3.7187 3.8545 3.9232 4.2109 4.2626 4.3411 4.3494 4.4597 4.4734 4.6654 4.7307 4.9270 4.9645 5.5002 5.5540 5.7923 5.8510 7.0260 7.0402 7.0639 7.0817 7.1418 7.1476 7.7274 7.7660 8.4477 8.4898 8.5280 8.5866 9.0176 9.0391 9.1105 9.1253 k = 0.7161 0.0880 0.1725 ( 8846 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1886 -9.1883 -8.1344 -8.1341 -7.1848 -7.1846 -6.8497 -6.8486 -6.7612 -6.7602 -6.5593 -6.5584 -3.8691 -3.8677 -2.1249 -2.1209 0.2480 0.2728 0.5876 0.5968 0.9655 0.9983 1.1179 1.1713 1.6581 1.7121 2.3682 2.4261 2.4440 2.5063 2.5690 2.6440 2.7968 2.8729 2.9555 3.0442 3.0818 3.2214 3.3505 3.4269 3.4819 3.5540 3.6863 3.7172 3.9229 3.9420 4.1867 4.2700 4.3006 4.3375 4.4320 4.4586 4.6057 4.6239 4.9416 4.9447 5.5550 5.6024 5.9859 6.0475 6.9682 6.9901 7.1156 7.1324 7.2387 7.2507 7.7697 7.8102 8.3316 8.3692 8.6770 8.7166 8.7925 8.8845 8.9982 9.0248 k = 0.7132 0.0830 0.1534 ( 8849 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1910 -9.1906 -8.1270 -8.1267 -7.1940 -7.1938 -6.8538 -6.8527 -6.7535 -6.7524 -6.5581 -6.5571 -3.8684 -3.8671 -2.1283 -2.1243 0.2473 0.2722 0.5866 0.5957 0.9672 1.0002 1.1163 1.1707 1.6522 1.7067 2.3782 2.4295 2.4514 2.5143 2.5619 2.6329 2.7822 2.8607 2.9633 3.0435 3.0827 3.2250 3.3405 3.4255 3.4736 3.5576 3.6992 3.7357 3.9289 3.9514 4.1872 4.2499 4.3032 4.3219 4.4434 4.4693 4.6035 4.6240 4.9545 4.9553 5.5664 5.6150 5.9786 6.0407 6.9710 6.9934 7.1188 7.1339 7.2353 7.2494 7.7562 7.7975 8.3364 8.3752 8.6621 8.7033 8.7903 8.8829 8.9895 9.0184 k = 0.7104 0.0780 0.1344 ( 8840 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1937 -9.1933 -8.1191 -8.1189 -7.2027 -7.2025 -6.8577 -6.8566 -6.7461 -6.7449 -6.5569 -6.5560 -3.8686 -3.8673 -2.1314 -2.1273 0.2476 0.2727 0.5851 0.5943 0.9670 0.9993 1.1174 1.1722 1.6469 1.7020 2.3856 2.4304 2.4593 2.5245 2.5542 2.6179 2.7681 2.8496 2.9704 3.0427 3.0834 3.2278 3.3304 3.4246 3.4689 3.5614 3.7147 3.7585 3.9337 3.9584 4.1794 4.2245 4.3088 4.3181 4.4558 4.4800 4.6008 4.6239 4.9654 4.9669 5.5788 5.6285 5.9699 6.0325 6.9746 6.9971 7.1197 7.1332 7.2321 7.2482 7.7417 7.7834 8.3425 8.3822 8.6456 8.6877 8.7867 8.8775 8.9876 9.0167 k = 0.7075 0.0730 0.1153 ( 8834 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1966 -9.1962 -8.1111 -8.1108 -7.2110 -7.2108 -6.8614 -6.8603 -6.7389 -6.7378 -6.5559 -6.5549 -3.8696 -3.8682 -2.1342 -2.1301 0.2489 0.2741 0.5834 0.5925 0.9652 0.9962 1.1211 1.1755 1.6422 1.6980 2.3883 2.4303 2.4667 2.5324 2.5496 2.6000 2.7552 2.8398 2.9762 3.0420 3.0839 3.2294 3.3213 3.4232 3.4698 3.5654 3.7323 3.7835 3.9367 3.9636 4.1612 4.2004 4.3117 4.3290 4.4684 4.4900 4.5975 4.6232 4.9751 4.9783 5.5921 5.6429 5.9600 6.0230 6.9789 7.0013 7.1181 7.1301 7.2292 7.2471 7.7264 7.7684 8.3495 8.3896 8.6278 8.6706 8.7828 8.8703 8.9906 9.0184 k = 0.7046 0.0680 0.0962 ( 8838 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1996 -9.1992 -8.1028 -8.1026 -7.2186 -7.2185 -6.8649 -6.8638 -6.7322 -6.7311 -6.5550 -6.5540 -3.8713 -3.8699 -2.1366 -2.1324 0.2511 0.2766 0.5812 0.5904 0.9622 0.9916 1.1269 1.1804 1.6381 1.6948 2.3843 2.4299 2.4734 2.5280 2.5551 2.5835 2.7440 2.8311 2.9805 3.0415 3.0841 3.2299 3.3141 3.4211 3.4764 3.5696 3.7510 3.8094 3.9379 3.9676 4.1370 4.1777 4.3214 4.3423 4.4807 4.4992 4.5934 4.6217 4.9840 4.9886 5.6065 5.6582 5.9487 6.0120 6.9838 7.0060 7.1140 7.1249 7.2264 7.2458 7.7109 7.7529 8.3569 8.3971 8.6091 8.6525 8.7796 8.8632 8.9967 9.0223 k = 0.7017 0.0630 0.0772 ( 8837 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2027 -9.2023 -8.0947 -8.0944 -7.2257 -7.2255 -6.8681 -6.8670 -6.7261 -6.7249 -6.5541 -6.5531 -3.8735 -3.8721 -2.1385 -2.1343 0.2543 0.2801 0.5785 0.5877 0.9589 0.9864 1.1341 1.1866 1.6347 1.6922 2.3734 2.4284 2.4787 2.5154 2.5560 2.5808 2.7343 2.8234 2.9831 3.0413 3.0841 3.2292 3.3090 3.4191 3.4876 3.5741 3.7693 3.8349 3.9370 3.9716 4.1126 4.1564 4.3353 4.3560 4.4927 4.5079 4.5883 4.6192 4.9922 4.9976 5.6217 5.6742 5.9359 5.9996 6.9893 7.0109 7.1075 7.1177 7.2236 7.2439 7.6959 7.7374 8.3641 8.4043 8.5896 8.6337 8.7781 8.8580 9.0042 9.0272 k = 0.6989 0.0580 0.0581 ( 8843 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2057 -9.2053 -8.0867 -8.0864 -7.2321 -7.2320 -6.8712 -6.8701 -6.7206 -6.7194 -6.5533 -6.5522 -3.8761 -3.8748 -2.1400 -2.1357 0.2584 0.2846 0.5753 0.5846 0.9557 0.9814 1.1421 1.1938 1.6319 1.6904 2.3566 2.4242 2.4806 2.4989 2.5529 2.5906 2.7261 2.8162 2.9840 3.0415 3.0838 3.2278 3.3059 3.4179 3.5020 3.5789 3.7857 3.8582 3.9334 3.9767 4.0921 4.1381 4.3506 4.3693 4.5040 4.5166 4.5823 4.6156 4.9993 5.0054 5.6375 5.6907 5.9217 5.9855 6.9953 7.0159 7.0989 7.1090 7.2202 7.2411 7.6819 7.7227 8.3708 8.4110 8.5696 8.6145 8.7791 8.8556 9.0121 9.0326 k = 0.6960 0.0530 0.0391 ( 8849 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2086 -9.2082 -8.0791 -8.0788 -7.2379 -7.2377 -6.8739 -6.8728 -6.7158 -6.7146 -6.5525 -6.5514 -3.8791 -3.8777 -2.1409 -2.1366 0.2635 0.2900 0.5715 0.5809 0.9532 0.9773 1.1506 1.2015 1.6297 1.6891 2.3354 2.4138 2.4734 2.4900 2.5543 2.6015 2.7191 2.8092 2.9835 3.0418 3.0832 3.2260 3.3045 3.4176 3.5183 3.5840 3.7988 3.8777 3.9262 3.9837 4.0789 4.1256 4.3649 4.3820 4.5136 4.5267 4.5754 4.6107 5.0056 5.0119 5.6537 5.7074 5.9060 5.9698 7.0017 7.0206 7.0888 7.0993 7.2159 7.2371 7.6695 7.7093 8.3765 8.4169 8.5496 8.5951 8.7826 8.8562 9.0202 9.0379 k = 0.6931 0.0480 0.0200 ( 8851 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2113 -9.2110 -8.0719 -8.0716 -7.2429 -7.2427 -6.8765 -6.8754 -6.7118 -6.7106 -6.5517 -6.5505 -3.8822 -3.8809 -2.1413 -2.1370 0.2694 0.2964 0.5670 0.5767 0.9519 0.9746 1.1592 1.2094 1.6280 1.6884 2.3115 2.3946 2.4636 2.4887 2.5589 2.6108 2.7133 2.8018 2.9818 3.0420 3.0822 3.2240 3.3045 3.4182 3.5352 3.5891 3.8077 3.8915 3.9150 3.9918 4.0753 4.1219 4.3764 4.3935 4.5209 4.5389 4.5681 4.6045 5.0109 5.0172 5.6698 5.7239 5.8887 5.9524 7.0083 7.0245 7.0776 7.0896 7.2105 7.2317 7.6594 7.6977 8.3808 8.4218 8.5303 8.5762 8.7885 8.8596 9.0281 9.0432 k = 0.6902 0.0430 0.0009 ( 8853 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2138 -9.2134 -8.0654 -8.0651 -7.2472 -7.2470 -6.8788 -6.8777 -6.7087 -6.7075 -6.5508 -6.5496 -3.8854 -3.8841 -2.1412 -2.1369 0.2760 0.3035 0.5620 0.5719 0.9521 0.9736 1.1676 1.2173 1.6267 1.6879 2.2861 2.3689 2.4582 2.4883 2.5646 2.6179 2.7086 2.7938 2.9794 3.0421 3.0811 3.2219 3.3054 3.4195 3.5515 3.5941 3.8129 3.8954 3.9051 3.9981 4.0821 4.1295 4.3844 4.4029 4.5254 4.5524 4.5620 4.5975 5.0153 5.0215 5.6854 5.7397 5.8699 5.9333 7.0148 7.0265 7.0659 7.0816 7.2037 7.2249 7.6518 7.6885 8.3833 8.4256 8.5124 8.5582 8.7963 8.8654 9.0361 9.0483 k = 0.6874 0.0380-0.0181 ( 8847 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2160 -9.2156 -8.0595 -8.0592 -7.2507 -7.2505 -6.8809 -6.8798 -6.7066 -6.7053 -6.5498 -6.5486 -3.8886 -3.8872 -2.1406 -2.1363 0.2833 0.3114 0.5564 0.5667 0.9540 0.9745 1.1757 1.2249 1.6256 1.6877 2.2604 2.3408 2.4555 2.4878 2.5701 2.6224 2.7050 2.7850 2.9767 3.0418 3.0797 3.2199 3.3069 3.4213 3.5654 3.5988 3.8157 3.8817 3.9080 4.0004 4.0989 4.1474 4.3887 4.4090 4.5244 4.5588 4.5674 4.5908 5.0189 5.0248 5.7000 5.7542 5.8498 5.9126 7.0195 7.0259 7.0549 7.0771 7.1956 7.2166 7.6469 7.6820 8.3836 8.4279 8.4971 8.5418 8.8057 8.8727 9.0442 9.0534 k = 0.6845 0.0330-0.0372 ( 8845 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2178 -9.2174 -8.0545 -8.0541 -7.2535 -7.2533 -6.8828 -6.8817 -6.7053 -6.7041 -6.5488 -6.5475 -3.8915 -3.8901 -2.1395 -2.1351 0.2912 0.3199 0.5506 0.5613 0.9577 0.9773 1.1832 1.2321 1.6246 1.6876 2.2353 2.3129 2.4541 2.4873 2.5746 2.6245 2.7025 2.7755 2.9740 3.0411 3.0782 3.2179 3.3088 3.4233 3.5749 3.6035 3.8177 3.8670 3.9110 3.9997 4.1232 4.1728 4.3894 4.4109 4.5169 4.5576 4.5822 4.5882 5.0218 5.0275 5.7131 5.7664 5.8289 5.8905 7.0167 7.0255 7.0473 7.0770 7.1862 7.2070 7.6447 7.6783 8.3816 8.4280 8.4859 8.5280 8.8158 8.8809 9.0526 9.0588 k = 0.6816 0.0280-0.0562 ( 8841 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2192 -9.2188 -8.0503 -8.0500 -7.2555 -7.2553 -6.8845 -6.8834 -6.7051 -6.7038 -6.5476 -6.5463 -3.8941 -3.8927 -2.1379 -2.1335 0.2993 0.3287 0.5448 0.5559 0.9631 0.9820 1.1902 1.2386 1.6236 1.6873 2.2116 2.2864 2.4532 2.4868 2.5775 2.6247 2.7005 2.7656 2.9714 3.0401 3.0766 3.2159 3.3109 3.4254 3.5784 3.6077 3.8205 3.8553 3.9136 3.9981 4.1518 4.2025 4.3866 4.4081 4.5057 4.5513 4.5928 4.5983 5.0240 5.0296 5.7238 5.7737 5.8094 5.8678 7.0088 7.0203 7.0478 7.0803 7.1759 7.1964 7.6450 7.6773 8.3771 8.4252 8.4797 8.5173 8.8262 8.8892 9.0612 9.0646 k = 0.6787 0.0230-0.0753 ( 8841 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2202 -9.2198 -8.0471 -8.0468 -7.2567 -7.2566 -6.8859 -6.8848 -6.7058 -6.7045 -6.5462 -6.5450 -3.8963 -3.8950 -2.1359 -2.1315 0.3076 0.3376 0.5393 0.5509 0.9702 0.9884 1.1963 1.2444 1.6224 1.6868 2.1900 2.2622 2.4525 2.4862 2.5783 2.6237 2.6983 2.7560 2.9689 3.0389 3.0750 3.2139 3.3131 3.4274 3.5766 3.6096 3.8251 3.8481 3.9165 3.9970 4.1821 4.2344 4.3802 4.4008 4.4934 4.5405 4.6036 4.6133 5.0255 5.0314 5.7302 5.7700 5.7971 5.8464 6.9999 7.0114 7.0533 7.0854 7.1649 7.1849 7.6474 7.6789 8.3707 8.4198 8.4784 8.5102 8.8366 8.8972 9.0687 9.0722 k = 0.6759 0.0181-0.0944 ( 8833 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2207 -9.2203 -8.0449 -8.0446 -7.2572 -7.2571 -6.8872 -6.8862 -6.7075 -6.7062 -6.5448 -6.5435 -3.8981 -3.8967 -2.1334 -2.1290 0.3157 0.3463 0.5345 0.5465 0.9787 0.9962 1.2017 1.2493 1.6209 1.6858 2.1709 2.2410 2.4518 2.4854 2.5766 2.6225 2.6945 2.7478 2.9667 3.0373 3.0735 3.2119 3.3152 3.4292 3.5707 3.6078 3.8320 3.8458 3.9201 3.9969 4.2124 4.2663 4.3706 4.3892 4.4814 4.5281 4.6163 4.6278 5.0264 5.0330 5.7257 5.7610 5.7871 5.8324 6.9916 7.0026 7.0601 7.0913 7.1537 7.1730 7.6515 7.6826 8.3632 8.4129 8.4802 8.5065 8.8467 8.9046 9.0747 9.0815 k = 0.6730 0.0131-0.1134 ( 8835 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2207 -9.2204 -8.0437 -8.0434 -7.2570 -7.2568 -6.8884 -6.8873 -6.7100 -6.7087 -6.5433 -6.5420 -3.8993 -3.8980 -2.1306 -2.1262 0.3235 0.3544 0.5309 0.5433 0.9883 1.0051 1.2062 1.2532 1.6189 1.6843 2.1548 2.2230 2.4509 2.4844 2.5724 2.6215 2.6883 2.7425 2.9647 3.0357 3.0720 3.2099 3.3173 3.4306 3.5620 3.6020 3.8410 3.8479 3.9249 3.9978 4.2405 4.2948 4.3600 4.3741 4.4712 4.5155 4.6293 4.6416 5.0266 5.0344 5.7062 5.7589 5.7684 5.8291 6.9846 6.9953 7.0671 7.0975 7.1424 7.1609 7.6569 7.6880 8.3558 8.4058 8.4836 8.5054 8.8568 8.9118 9.0805 9.0911 k = 0.6701 0.0081-0.1325 ( 8822 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2203 -9.2199 -8.0436 -8.0433 -7.2560 -7.2558 -6.8894 -6.8883 -6.7133 -6.7120 -6.5417 -6.5405 -3.9000 -3.8986 -2.1275 -2.1230 0.3305 0.3617 0.5289 0.5414 0.9988 1.0148 1.2099 1.2562 1.6164 1.6822 2.1419 2.2086 2.4498 2.4832 2.5664 2.6207 2.6795 2.7401 2.9627 3.0341 3.0708 3.2079 3.3194 3.4313 3.5515 3.5929 3.8513 3.8532 3.9312 3.9998 4.2626 4.3094 4.3506 4.3658 4.4635 4.5037 4.6418 4.6541 5.0261 5.0356 5.6803 5.7394 5.7638 5.8302 6.9794 6.9899 7.0738 7.1033 7.1317 7.1490 7.6631 7.6947 8.3492 8.3996 8.4872 8.5061 8.8671 8.9190 9.0861 9.1005 k = 0.6673 0.0031-0.1516 ( 8831 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2194 -9.2190 -8.0446 -8.0442 -7.2544 -7.2542 -6.8903 -6.8892 -6.7173 -6.7160 -6.5402 -6.5390 -3.9000 -3.8987 -2.1240 -2.1196 0.3366 0.3677 0.5290 0.5414 1.0096 1.0250 1.2127 1.2582 1.6133 1.6794 2.1325 2.1980 2.4482 2.4817 2.5594 2.6195 2.6693 2.7402 2.9609 3.0326 3.0696 3.2059 3.3212 3.4312 3.5400 3.5818 3.8591 3.8632 3.9391 4.0025 4.2677 4.3053 4.3361 4.3848 4.4591 4.4942 4.6529 4.6651 5.0250 5.0365 5.6524 5.7113 5.7654 5.8318 6.9763 6.9866 7.0798 7.1075 7.1224 7.1379 7.6697 7.7021 8.3441 8.3946 8.4901 8.5072 8.8782 8.9269 9.0916 9.1098 k = 0.6673 0.0031-0.1516 ( 8831 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2194 -9.2190 -8.0446 -8.0442 -7.2544 -7.2542 -6.8903 -6.8892 -6.7173 -6.7160 -6.5402 -6.5390 -3.9000 -3.8987 -2.1240 -2.1196 0.3366 0.3677 0.5290 0.5414 1.0096 1.0250 1.2127 1.2582 1.6133 1.6794 2.1325 2.1980 2.4482 2.4817 2.5594 2.6195 2.6693 2.7402 2.9609 3.0326 3.0696 3.2059 3.3212 3.4312 3.5400 3.5818 3.8591 3.8632 3.9391 4.0025 4.2677 4.3053 4.3361 4.3848 4.4591 4.4942 4.6529 4.6651 5.0250 5.0365 5.6524 5.7113 5.7654 5.8318 6.9763 6.9866 7.0798 7.1075 7.1224 7.1379 7.6697 7.7021 8.3441 8.3946 8.4901 8.5072 8.8782 8.9269 9.0916 9.1098 k = 0.6585-0.0122-0.1436 ( 8842 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2196 -9.2192 -8.0434 -8.0431 -7.2596 -7.2594 -6.8922 -6.8912 -6.7142 -6.7129 -6.5354 -6.5342 -3.9008 -3.8994 -2.1229 -2.1185 0.3312 0.3611 0.5281 0.5399 0.9897 1.0043 1.2232 1.2671 1.6194 1.6835 2.1298 2.1951 2.4465 2.4806 2.5647 2.6217 2.6736 2.7575 2.9624 3.0343 3.0682 3.2077 3.3259 3.4450 3.5338 3.5844 3.8567 3.8786 3.9271 3.9882 4.2650 4.3044 4.3370 4.3855 4.4631 4.4990 4.6413 4.6600 5.0162 5.0356 5.6751 5.7311 5.7678 5.8347 6.9717 6.9824 7.0739 7.0997 7.1310 7.1506 7.6768 7.7090 8.3556 8.4039 8.4921 8.5063 8.8562 8.9062 9.0804 9.0981 k = 0.6496-0.0275-0.1356 ( 8836 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2203 -9.2199 -8.0426 -8.0422 -7.2647 -7.2645 -6.8930 -6.8920 -6.7103 -6.7090 -6.5304 -6.5293 -3.9034 -3.9020 -2.1223 -2.1179 0.3248 0.3533 0.5268 0.5377 0.9672 0.9820 1.2329 1.2744 1.6319 1.6930 2.1281 2.1931 2.4437 2.4795 2.5707 2.6245 2.6832 2.7764 2.9629 3.0359 3.0661 3.2085 3.3299 3.4591 3.5279 3.5877 3.8496 3.8907 3.9209 3.9711 4.2612 4.3041 4.3352 4.3901 4.4646 4.4984 4.6349 4.6569 5.0033 5.0291 5.7039 5.7528 5.7720 5.8356 6.9671 6.9779 7.0632 7.0882 7.1429 7.1637 7.6888 7.7210 8.3647 8.4118 8.4960 8.5091 8.8343 8.8850 9.0708 9.0896 k = 0.6408-0.0428-0.1276 ( 8838 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2215 -9.2211 -8.0419 -8.0416 -7.2695 -7.2693 -6.8926 -6.8917 -6.7055 -6.7042 -6.5255 -6.5243 -3.9077 -3.9064 -2.1223 -2.1180 0.3175 0.3446 0.5252 0.5351 0.9429 0.9583 1.2422 1.2808 1.6494 1.7069 2.1278 2.1920 2.4401 2.4781 2.5763 2.6276 2.6977 2.7959 2.9624 3.0379 3.0633 3.2081 3.3329 3.4722 3.5239 3.5908 3.8387 3.8984 3.9214 3.9520 4.2556 4.3030 4.3324 4.3982 4.4627 4.4909 4.6344 4.6559 4.9889 5.0186 5.7366 5.7623 5.7914 5.8347 6.9627 6.9735 7.0497 7.0744 7.1556 7.1762 7.7053 7.7378 8.3714 8.4184 8.5011 8.5159 8.8137 8.8646 9.0622 9.0832 k = 0.6320-0.0581-0.1196 ( 8840 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2231 -9.2227 -8.0415 -8.0412 -7.2743 -7.2741 -6.8913 -6.8905 -6.6999 -6.6985 -6.5205 -6.5194 -3.9135 -3.9122 -2.1227 -2.1185 0.3095 0.3350 0.5234 0.5325 0.9174 0.9338 1.2514 1.2869 1.6707 1.7241 2.1288 2.1922 2.4362 2.4764 2.5814 2.6309 2.7165 2.8152 2.9611 3.0408 3.0600 3.2069 3.3348 3.4816 3.5248 3.5932 3.8261 3.9025 3.9236 3.9349 4.2483 4.2981 4.3326 4.4070 4.4563 4.4773 4.6380 4.6569 4.9751 5.0059 5.7543 5.7804 5.8173 5.8368 6.9586 6.9692 7.0343 7.0587 7.1680 7.1878 7.7262 7.7589 8.3765 8.4239 8.5081 8.5250 8.7954 8.8460 9.0540 9.0780 k = 0.6232-0.0734-0.1117 ( 8842 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2250 -9.2247 -8.0413 -8.0410 -7.2789 -7.2788 -6.8892 -6.8885 -6.6935 -6.6921 -6.5157 -6.5146 -3.9207 -3.9194 -2.1235 -2.1195 0.3008 0.3247 0.5215 0.5302 0.8913 0.9089 1.2606 1.2930 1.6946 1.7439 2.1315 2.1937 2.4321 2.4740 2.5860 2.6342 2.7387 2.8336 2.9591 3.0436 3.0578 3.2048 3.3357 3.4845 3.5329 3.5942 3.8142 3.8983 3.9162 3.9358 4.2400 4.2889 4.3364 4.4144 4.4441 4.4598 4.6426 4.6601 4.9642 4.9932 5.7503 5.8149 5.8234 5.8649 6.9549 6.9651 7.0177 7.0417 7.1796 7.1982 7.7508 7.7837 8.3811 8.4286 8.5165 8.5347 8.7803 8.8301 9.0458 9.0728 k = 0.6144-0.0887-0.1037 ( 8842 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2272 -9.2269 -8.0412 -8.0409 -7.2835 -7.2834 -6.8865 -6.8858 -6.6864 -6.6850 -6.5110 -6.5100 -3.9289 -3.9277 -2.1248 -2.1209 0.2918 0.3139 0.5196 0.5286 0.8652 0.8840 1.2699 1.2993 1.7200 1.7652 2.1359 2.1968 2.4279 2.4708 2.5899 2.6371 2.7633 2.8503 2.9569 3.0429 3.0604 3.2021 3.3361 3.4821 3.5466 3.5932 3.8046 3.8793 3.9195 3.9414 4.2313 4.2773 4.3416 4.4171 4.4271 4.4399 4.6462 4.6650 4.9575 4.9827 5.7423 5.8083 5.8638 5.9028 6.9513 6.9611 7.0009 7.0236 7.1900 7.2072 7.7787 7.8118 8.3861 8.4331 8.5255 8.5442 8.7690 8.8177 9.0369 9.0669 k = 0.6056-0.1040-0.0957 ( 8841 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2295 -9.2292 -8.0413 -8.0410 -7.2880 -7.2879 -6.8833 -6.8827 -6.6786 -6.6772 -6.5066 -6.5055 -3.9381 -3.9369 -2.1263 -2.1226 0.2823 0.3028 0.5181 0.5279 0.8394 0.8596 1.2793 1.3058 1.7462 1.7875 2.1421 2.2013 2.4239 2.4669 2.5931 2.6395 2.7897 2.8647 2.9552 3.0387 3.0678 3.1988 3.3366 3.4772 3.5625 3.5901 3.7981 3.8582 3.9270 3.9471 4.2223 4.2646 4.3461 4.3991 4.4146 4.4245 4.6488 4.6700 4.9556 4.9762 5.7316 5.7956 5.9081 5.9431 6.9471 6.9568 6.9850 7.0051 7.1991 7.2150 7.8093 7.8422 8.3920 8.4380 8.5343 8.5529 8.7622 8.8095 9.0269 9.0592 k = 0.5968-0.1193-0.0877 ( 8845 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2320 -9.2317 -8.0415 -8.0412 -7.2924 -7.2922 -6.8799 -6.8793 -6.6702 -6.6689 -6.5024 -6.5014 -3.9478 -3.9467 -2.1281 -2.1246 0.2728 0.2915 0.5172 0.5283 0.8144 0.8359 1.2885 1.3123 1.7725 1.8102 2.1499 2.2070 2.4203 2.4623 2.5951 2.6410 2.8169 2.8757 2.9547 3.0332 3.0774 3.1951 3.3382 3.4711 3.5763 3.5878 3.7942 3.8388 3.9364 3.9529 4.2133 4.2511 4.3476 4.3728 4.3881 4.4220 4.6510 4.6737 4.9579 4.9751 5.7187 5.7800 5.9529 5.9846 6.9398 6.9519 6.9723 6.9871 7.2069 7.2214 7.8416 7.8742 8.3990 8.4437 8.5422 8.5606 8.7604 8.8059 9.0150 9.0491 k = 0.5880-0.1346-0.0798 ( 8853 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2345 -9.2342 -8.0417 -8.0415 -7.2966 -7.2965 -6.8763 -6.8758 -6.6615 -6.6602 -6.4985 -6.4976 -3.9580 -3.9569 -2.1301 -2.1268 0.2632 0.2801 0.5171 0.5297 0.7903 0.8130 1.2974 1.3186 1.7986 1.8327 2.1592 2.2137 2.4175 2.4574 2.5958 2.6412 2.8439 2.8828 2.9561 3.0278 3.0877 3.1910 3.3416 3.4645 3.5747 3.5996 3.7902 3.8239 3.9476 3.9593 4.2037 4.2364 4.3363 4.3482 4.3645 4.4178 4.6529 4.6753 4.9635 4.9799 5.7039 5.7620 5.9976 6.0264 6.9271 6.9458 6.9633 6.9725 7.2134 7.2266 7.8751 7.9070 8.4072 8.4504 8.5487 8.5672 8.7638 8.8073 9.0009 9.0361 k = 0.5792-0.1499-0.0718 ( 8854 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2370 -9.2367 -8.0420 -8.0418 -7.3006 -7.3005 -6.8728 -6.8723 -6.6525 -6.6513 -6.4950 -6.4941 -3.9682 -3.9672 -2.1321 -2.1291 0.2539 0.2690 0.5181 0.5323 0.7674 0.7910 1.3060 1.3247 1.8239 1.8548 2.1696 2.2208 2.4158 2.4526 2.5950 2.6399 2.8694 2.8863 2.9592 3.0229 3.0980 3.1867 3.3481 3.4580 3.5682 3.6158 3.7818 3.8167 3.9600 3.9671 4.1923 4.2195 4.3089 4.3189 4.3583 4.4118 4.6543 4.6749 4.9721 4.9897 5.6876 5.7420 6.0414 6.0678 6.9108 6.9341 6.9570 6.9655 7.2187 7.2307 7.9087 7.9394 8.4166 8.4581 8.5539 8.5729 8.7727 8.8138 8.9844 9.0199 k = 0.5704-0.1652-0.0638 ( 8856 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2394 -9.2392 -8.0424 -8.0422 -7.3043 -7.3042 -6.8694 -6.8689 -6.6436 -6.6424 -6.4919 -6.4911 -3.9782 -3.9773 -2.1342 -2.1314 0.2449 0.2582 0.5202 0.5361 0.7457 0.7701 1.3140 1.3304 1.8483 1.8759 2.1808 2.2278 2.4160 2.4483 2.5924 2.6367 2.8850 2.8942 2.9629 3.0190 3.1075 3.1824 3.3584 3.4526 3.5619 3.6319 3.7690 3.8157 3.9722 3.9782 4.1768 4.1988 4.2784 4.2920 4.3558 4.4043 4.6550 4.6726 4.9834 5.0026 5.6702 5.7206 6.0838 6.1081 6.8934 6.9171 6.9543 6.9625 7.2230 7.2337 7.9415 7.9706 8.4271 8.4669 8.5580 8.5780 8.7868 8.8249 8.9655 9.0009 k = 0.5616-0.1805-0.0558 ( 8852 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2416 -9.2414 -8.0427 -8.0426 -7.3078 -7.3076 -6.8662 -6.8658 -6.6348 -6.6337 -6.4892 -6.4885 -3.9877 -3.9870 -2.1362 -2.1337 0.2364 0.2480 0.5236 0.5409 0.7253 0.7503 1.3214 1.3355 1.8714 1.8959 2.1921 2.2337 2.4183 2.4453 2.5881 2.6317 2.8848 2.9117 2.9666 3.0162 3.1162 3.1782 3.3733 3.4493 3.5568 3.6474 3.7546 3.8162 3.9839 3.9933 4.1544 4.1730 4.2510 4.2716 4.3529 4.3961 4.6548 4.6691 4.9970 5.0171 5.6525 5.6984 6.1242 6.1465 6.8760 6.8986 6.9534 6.9608 7.2264 7.2358 7.9727 7.9997 8.4386 8.4764 8.5616 8.5829 8.8058 8.8396 8.9447 8.9796 k = 0.5528-0.1958-0.0479 ( 8860 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2437 -9.2435 -8.0431 -8.0429 -7.3108 -7.3107 -6.8633 -6.8630 -6.6264 -6.6254 -6.4870 -6.4863 -3.9966 -3.9959 -2.1381 -2.1359 0.2287 0.2385 0.5283 0.5467 0.7063 0.7315 1.3280 1.3399 1.8929 1.9142 2.2029 2.2382 2.4232 2.4444 2.5821 2.6246 2.8836 2.9231 2.9705 3.0141 3.1241 3.1742 3.3930 3.4495 3.5529 3.6620 3.7397 3.8158 3.9965 4.0102 4.1256 4.1418 4.2314 4.2561 4.3499 4.3875 4.6538 4.6649 5.0120 5.0321 5.6350 5.6760 6.1620 6.1822 6.8593 6.8803 6.9532 6.9597 7.2290 7.2372 8.0013 8.0257 8.4505 8.4859 8.5658 8.5883 8.8286 8.8556 8.9231 8.9577 k = 0.5440-0.2111-0.0399 ( 8862 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2455 -9.2453 -8.0434 -8.0433 -7.3135 -7.3134 -6.8608 -6.8606 -6.6188 -6.6179 -6.4852 -6.4846 -4.0046 -4.0040 -2.1398 -2.1380 0.2220 0.2301 0.5340 0.5531 0.6891 0.7139 1.3338 1.3436 1.9125 1.9306 2.2125 2.2408 2.4302 2.4466 2.5746 2.6155 2.8829 2.9274 2.9749 3.0120 3.1314 3.1708 3.4169 3.4545 3.5496 3.6754 3.7244 3.8133 4.0099 4.0273 4.0942 4.1085 4.2180 4.2433 4.3472 4.3791 4.6520 4.6603 5.0275 5.0464 5.6186 5.6541 6.1965 6.2145 6.8440 6.8627 6.9534 6.9589 7.2311 7.2379 8.0268 8.0481 8.4625 8.4942 8.5720 8.5947 8.8534 8.8665 8.9033 8.9392 k = 0.5352-0.2264-0.0319 ( 8865 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2470 -9.2469 -8.0437 -8.0436 -7.3157 -7.3156 -6.8588 -6.8585 -6.6120 -6.6113 -6.4838 -6.4833 -4.0114 -4.0109 -2.1412 -2.1397 0.2164 0.2228 0.5408 0.5597 0.6738 0.6974 1.3387 1.3465 1.9297 1.9446 2.2204 2.2415 2.4383 2.4527 2.5661 2.6046 2.8832 2.9260 2.9790 3.0096 3.1381 3.1677 3.4420 3.4665 3.5463 3.6845 3.7113 3.8079 4.0211 4.0414 4.0664 4.0796 4.2079 4.2316 4.3453 4.3713 4.6499 4.6557 5.0425 5.0592 5.6042 5.6337 6.2270 6.2423 6.8306 6.8466 6.9537 6.9582 7.2327 7.2382 8.0486 8.0663 8.4735 8.5001 8.5812 8.6028 8.8591 8.8743 8.8926 8.9348 k = 0.5264-0.2418-0.0239 ( 8865 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2482 -9.2481 -8.0439 -8.0439 -7.3175 -7.3174 -6.8571 -6.8570 -6.6065 -6.6059 -6.4828 -6.4824 -4.0169 -4.0165 -2.1423 -2.1412 0.2120 0.2168 0.5483 0.5659 0.6612 0.6824 1.3428 1.3486 1.9443 1.9557 2.2263 2.2409 2.4470 2.4619 2.5575 2.5921 2.8849 2.9211 2.9825 3.0063 3.1441 3.1651 3.4627 3.4897 3.5422 3.6757 3.7135 3.7995 4.0202 4.0308 4.0637 4.0692 4.1996 4.2201 4.3445 4.3642 4.6477 4.6516 5.0561 5.0697 5.5926 5.6155 6.2526 6.2647 6.8198 6.8325 6.9542 6.9576 7.2340 7.2381 8.0664 8.0800 8.4830 8.5032 8.5935 8.6122 8.8418 8.8611 8.9110 8.9447 k = 0.5176-0.2571-0.0160 ( 8876 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2491 -9.2491 -8.0441 -8.0441 -7.3187 -7.3187 -6.8559 -6.8558 -6.6023 -6.6019 -6.4821 -6.4818 -4.0209 -4.0206 -2.1431 -2.1424 0.2090 0.2122 0.5560 0.5704 0.6523 0.6691 1.3460 1.3498 1.9558 1.9635 2.2304 2.2395 2.4565 2.4710 2.5508 2.5786 2.8883 2.9143 2.9857 3.0023 3.1492 3.1625 3.4796 3.5178 3.5394 3.6531 3.7264 3.7880 4.0058 4.0112 4.0716 4.0793 4.1931 4.2088 4.3449 4.3582 4.6459 4.6483 5.0674 5.0771 5.5848 5.6005 6.2724 6.2809 6.8121 6.8210 6.9548 6.9570 7.2350 7.2378 8.0798 8.0891 8.4905 8.5038 8.6071 8.6214 8.8250 8.8406 8.9334 8.9562 k = 0.5088-0.2724-0.0080 ( 8870 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2496 -9.2496 -8.0442 -8.0442 -7.3195 -7.3195 -6.8552 -6.8551 -6.5997 -6.5995 -6.4817 -6.4815 -4.0233 -4.0232 -2.1435 -2.1432 0.2075 0.2091 0.5634 0.5717 0.6487 0.6582 1.3483 1.3502 1.9636 1.9676 2.2334 2.2376 2.4661 2.4758 2.5491 2.5654 2.8933 2.9069 2.9892 2.9978 3.1535 3.1599 3.4956 3.5212 3.5608 3.6251 3.7418 3.7738 3.9945 3.9974 4.0815 4.0869 4.1900 4.1989 4.3465 4.3532 4.6449 4.6460 5.0757 5.0807 5.5815 5.5895 6.2856 6.2900 6.8082 6.8128 6.9553 6.9565 7.2359 7.2373 8.0889 8.0936 8.4961 8.5026 8.6193 8.6274 8.8146 8.8234 8.9509 8.9625 k = 0.5000-0.2877 0.0000 ( 8876 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2498 -9.2498 -8.0442 -8.0442 -7.3198 -7.3198 -6.8549 -6.8549 -6.5987 -6.5987 -6.4815 -6.4815 -4.0241 -4.0241 -2.1435 -2.1435 0.2075 0.2075 0.5691 0.5691 0.6509 0.6509 1.3496 1.3496 1.9676 1.9676 2.2356 2.2356 2.4736 2.4736 2.5545 2.5545 2.8996 2.8996 2.9933 2.9933 3.1570 3.1570 3.5100 3.5100 3.5936 3.5936 3.7579 3.7579 3.9915 3.9915 4.0876 4.0876 4.1919 4.1919 4.3493 4.3493 4.6449 4.6449 5.0802 5.0802 5.5830 5.5830 6.2916 6.2916 6.8084 6.8084 6.9559 6.9559 7.2366 7.2366 8.0935 8.0935 8.5000 8.5000 8.6269 8.6269 8.8139 8.8139 8.9610 8.9610 k = 0.5000-0.2877 0.0000 ( 8876 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2498 -9.2498 -8.0442 -8.0442 -7.3198 -7.3198 -6.8549 -6.8549 -6.5987 -6.5987 -6.4815 -6.4815 -4.0241 -4.0241 -2.1435 -2.1435 0.2075 0.2075 0.5691 0.5691 0.6509 0.6509 1.3496 1.3496 1.9676 1.9676 2.2356 2.2356 2.4736 2.4736 2.5545 2.5545 2.8996 2.8996 2.9933 2.9933 3.1570 3.1570 3.5100 3.5100 3.5936 3.5936 3.7579 3.7579 3.9915 3.9915 4.0876 4.0876 4.1919 4.1919 4.3493 4.3493 4.6449 4.6449 5.0802 5.0802 5.5830 5.5830 6.2916 6.2916 6.8084 6.8084 6.9559 6.9559 7.2366 7.2366 8.0935 8.0935 8.5000 8.5000 8.6269 8.6269 8.8139 8.8139 8.9610 8.9610 k = 0.4828-0.2777 0.0000 ( 8870 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2505 -9.2505 -8.0449 -8.0449 -7.3181 -7.3181 -6.8541 -6.8541 -6.5984 -6.5984 -6.4812 -6.4812 -4.0257 -4.0256 -2.1447 -2.1445 0.2070 0.2071 0.5690 0.5693 0.6488 0.6501 1.3454 1.3494 1.9646 1.9658 2.2305 2.2457 2.4734 2.4784 2.5516 2.5580 2.8882 2.9097 2.9940 2.9969 3.1569 3.1596 3.5050 3.5104 3.5923 3.5996 3.7494 3.7718 3.9806 3.9965 4.0792 4.0979 4.1901 4.1953 4.3488 4.3541 4.6418 4.6442 5.0779 5.0804 5.5817 5.5850 6.2857 6.2900 6.8088 6.8102 6.9561 6.9577 7.2367 7.2375 8.0940 8.0974 8.4951 8.4985 8.6246 8.6279 8.8176 8.8188 8.9617 8.9666 k = 0.4655-0.2678-0.0000 ( 8875 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2527 -9.2527 -8.0467 -8.0467 -7.3130 -7.3130 -6.8516 -6.8516 -6.5974 -6.5974 -6.4804 -6.4804 -4.0306 -4.0305 -2.1478 -2.1476 0.2057 0.2059 0.5688 0.5696 0.6440 0.6466 1.3369 1.3446 1.9570 1.9591 2.2296 2.2602 2.4775 2.4885 2.5495 2.5617 2.8771 2.9176 2.9983 3.0047 3.1586 3.1658 3.4969 3.5063 3.5962 3.6076 3.7469 3.7899 3.9643 3.9956 4.0732 4.1096 4.1902 4.1996 4.3529 4.3630 4.6352 4.6400 5.0735 5.0785 5.5811 5.5877 6.2725 6.2811 6.8112 6.8139 6.9583 6.9615 7.2377 7.2392 8.0988 8.1055 8.4846 8.4910 8.6215 8.6277 8.8289 8.8314 8.9686 8.9782 k = 0.4483-0.2579 0.0000 ( 8875 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2562 -9.2562 -8.0498 -8.0497 -7.3046 -7.3046 -6.8476 -6.8475 -6.5957 -6.5957 -6.4791 -6.4791 -4.0386 -4.0384 -2.1531 -2.1527 0.2034 0.2037 0.5687 0.5698 0.6367 0.6405 1.3248 1.3358 1.9448 1.9478 2.2311 2.2770 2.4863 2.5040 2.5493 2.5656 2.8683 2.9235 3.0047 3.0162 3.1618 3.1766 3.4879 3.5001 3.6040 3.6145 3.7508 3.8106 3.9437 3.9888 4.0699 4.1219 4.1926 4.2040 4.3618 4.3756 4.6254 4.6325 5.0672 5.0749 5.5815 5.5913 6.2527 6.2654 6.8154 6.8195 6.9624 6.9671 7.2392 7.2414 8.1078 8.1177 8.4700 8.4791 8.6179 8.6264 8.8457 8.8500 8.9812 8.9954 k = 0.4310-0.2480-0.0000 ( 8867 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2611 -9.2611 -8.0540 -8.0539 -7.2931 -7.2931 -6.8420 -6.8419 -6.5934 -6.5934 -6.4773 -6.4773 -4.0497 -4.0495 -2.1603 -2.1598 0.2001 0.2004 0.5685 0.5698 0.6274 0.6323 1.3101 1.3236 1.9285 1.9320 2.2331 2.2931 2.5005 2.5212 2.5559 2.5697 2.8637 2.9279 3.0122 3.0306 3.1665 3.1922 3.4790 3.4941 3.6138 3.6189 3.7603 3.8315 3.9200 3.9772 4.0694 4.1338 4.1972 4.2080 4.3760 4.3918 4.6129 4.6223 5.0593 5.0700 5.5830 5.5960 6.2270 6.2436 6.8211 6.8265 6.9683 6.9745 7.2409 7.2436 8.1207 8.1334 8.4528 8.4642 8.6142 8.6245 8.8655 8.8718 8.9990 9.0175 k = 0.4138-0.2381-0.0000 ( 8875 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2671 -9.2671 -8.0592 -8.0592 -7.2784 -7.2784 -6.8350 -6.8350 -6.5904 -6.5904 -6.4750 -6.4749 -4.0639 -4.0636 -2.1693 -2.1687 0.1957 0.1960 0.5680 0.5694 0.6168 0.6226 1.2934 1.3088 1.9084 1.9122 2.2345 2.3060 2.5194 2.5289 2.5743 2.5801 2.8653 2.9312 3.0206 3.0474 3.1729 3.2124 3.4708 3.4896 3.6200 3.6246 3.7740 3.8467 3.8988 3.9623 4.0717 4.1442 4.2035 4.2112 4.3954 4.4115 4.5984 4.6103 5.0502 5.0642 5.5859 5.6022 6.1964 6.2167 6.8279 6.8346 6.9758 6.9833 7.2423 7.2454 8.1371 8.1523 8.4345 8.4481 8.6106 8.6225 8.8859 8.8944 9.0212 9.0435 k = 0.3966-0.2281 0.0000 ( 8873 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2743 -9.2743 -8.0654 -8.0654 -7.2608 -7.2608 -6.8268 -6.8267 -6.5867 -6.5867 -6.4722 -6.4722 -4.0809 -4.0806 -2.1800 -2.1793 0.1901 0.1903 0.5670 0.5680 0.6062 0.6124 1.2755 1.2919 1.8848 1.8889 2.2351 2.3147 2.5294 2.5387 2.5820 2.6183 2.8746 2.9339 3.0305 3.0662 3.1814 3.2359 3.4631 3.4873 3.6180 3.6355 3.7901 3.8385 3.8973 3.9461 4.0765 4.1522 4.2109 4.2132 4.4199 4.4344 4.5830 4.5974 5.0405 5.0582 5.5905 5.6098 6.1619 6.1857 6.8357 6.8435 6.9847 6.9933 7.2431 7.2464 8.1564 8.1737 8.4161 8.4316 8.6075 8.6208 8.9050 8.9159 9.0469 9.0727 k = 0.3793-0.2182-0.0000 ( 8877 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2825 -9.2825 -8.0725 -8.0724 -7.2405 -7.2405 -6.8174 -6.8173 -6.5825 -6.5825 -6.4690 -6.4690 -4.1007 -4.1004 -2.1923 -2.1915 0.1831 0.1832 0.5646 0.5647 0.5972 0.6029 1.2566 1.2736 1.8583 1.8623 2.2353 2.3201 2.5278 2.5505 2.5972 2.6627 2.8929 2.9368 3.0423 3.0866 3.1928 3.2617 3.4555 3.4878 3.6128 3.6448 3.8067 3.8122 3.9120 3.9312 4.0831 4.1572 4.2137 4.2185 4.4487 4.4604 4.5677 4.5854 5.0308 5.0528 5.5968 5.6190 6.1248 6.1517 6.8441 6.8529 6.9946 7.0040 7.2429 7.2463 8.1780 8.1971 8.3982 8.4156 8.6048 8.6194 8.9211 8.9345 9.0754 9.1043 k = 0.3621-0.2083 0.0000 ( 8883 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2916 -9.2916 -8.0803 -8.0802 -7.2177 -7.2177 -6.8072 -6.8070 -6.5777 -6.5776 -6.4654 -6.4653 -4.1231 -4.1227 -2.2060 -2.2052 0.1745 0.1746 0.5584 0.5605 0.5913 0.5957 1.2372 1.2542 1.8292 1.8330 2.2361 2.3236 2.5255 2.5536 2.6178 2.7087 2.9201 2.9417 3.0558 3.1083 3.2076 3.2882 3.4467 3.4911 3.6044 3.6483 3.7872 3.8224 3.9208 3.9286 4.0904 4.1590 4.2126 4.2253 4.4793 4.4878 4.5548 4.5774 5.0219 5.0487 5.6047 5.6296 6.0859 6.1158 6.8532 6.8627 7.0051 7.0150 7.2415 7.2448 8.2012 8.2216 8.3815 8.4006 8.6027 8.6185 8.9334 8.9491 9.1060 9.1373 k = 0.3448-0.1984-0.0000 ( 8885 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3013 -9.3013 -8.0887 -8.0885 -7.1925 -7.1925 -6.7961 -6.7960 -6.5722 -6.5722 -6.4614 -6.4614 -4.1478 -4.1474 -2.2209 -2.2200 0.1642 0.1644 0.5500 0.5542 0.5886 0.5913 1.2174 1.2339 1.7980 1.8015 2.2382 2.3267 2.5229 2.5526 2.6378 2.7518 2.9508 2.9543 3.0708 3.1304 3.2265 3.3135 3.4351 3.4975 3.5936 3.6388 3.7761 3.8362 3.9177 3.9439 4.0970 4.1578 4.2096 4.2303 4.5039 4.5093 4.5525 4.5813 5.0143 5.0466 5.6143 5.6415 6.0463 6.0788 6.8629 6.8729 7.0157 7.0259 7.2389 7.2419 8.2252 8.2467 8.3663 8.3870 8.6010 8.6181 8.9416 8.9592 9.1378 9.1712 k = 0.3276-0.1885 0.0000 ( 8879 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3117 -9.3117 -8.0975 -8.0974 -7.1653 -7.1653 -6.7844 -6.7843 -6.5663 -6.5663 -6.4572 -6.4571 -4.1746 -4.1742 -2.2368 -2.2359 0.1521 0.1525 0.5411 0.5467 0.5877 0.5894 1.1974 1.2131 1.7651 1.7682 2.2422 2.3306 2.5203 2.5499 2.6547 2.7873 2.9666 2.9923 3.0866 3.1522 3.2497 3.3350 3.4191 3.5068 3.5824 3.6146 3.7848 3.8486 3.9231 3.9572 4.1020 4.1537 4.2048 4.2329 4.5103 4.5128 4.5756 4.6069 5.0085 5.0472 5.6251 5.6542 6.0070 6.0420 6.8731 6.8834 7.0262 7.0364 7.2350 7.2377 8.2492 8.2717 8.3531 8.3751 8.5995 8.6181 8.9456 8.9648 9.1702 9.2053 k = 0.3103-0.1785-0.0000 ( 8875 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3224 -9.3224 -8.1067 -8.1066 -7.1363 -7.1363 -6.7724 -6.7723 -6.5599 -6.5598 -6.4527 -6.4526 -4.2034 -4.2029 -2.2535 -2.2525 0.1383 0.1389 0.5329 0.5394 0.5878 0.5890 1.1774 1.1921 1.7310 1.7336 2.2487 2.3362 2.5178 2.5467 2.6682 2.8124 2.9898 3.0306 3.1030 3.1722 3.2747 3.3484 3.4000 3.5186 3.5735 3.5854 3.8094 3.8609 3.9358 3.9681 4.1051 4.1472 4.1982 4.2327 4.5031 4.5118 4.6120 4.6484 5.0049 5.0508 5.6369 5.6674 5.9689 6.0061 6.8839 6.8941 7.0362 7.0461 7.2300 7.2322 8.2723 8.2958 8.3423 8.3652 8.5983 8.6184 8.9458 8.9662 9.2025 9.2387 k = 0.2931-0.1686 0.0000 ( 8871 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3334 -9.3334 -8.1161 -8.1160 -7.1058 -7.1058 -6.7601 -6.7600 -6.5530 -6.5529 -6.4480 -6.4479 -4.2337 -4.2333 -2.2708 -2.2698 0.1231 0.1238 0.5261 0.5330 0.5883 0.5894 1.1577 1.1712 1.6961 1.6983 2.2577 2.3438 2.5157 2.5437 2.6787 2.8278 3.0168 3.0663 3.1200 3.1885 3.2900 3.3483 3.3892 3.5307 3.5644 3.5690 3.8454 3.8738 3.9545 3.9754 4.1070 4.1387 4.1902 4.2301 4.4963 4.5093 4.6524 4.6969 5.0035 5.0577 5.6492 5.6807 5.9330 5.9721 6.8951 6.9051 7.0454 7.0548 7.2240 7.2258 8.2931 8.3185 8.3347 8.3576 8.5972 8.6191 8.9425 8.9636 9.2342 9.2708 k = 0.2759-0.1587 0.0000 ( 8863 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3446 -9.3446 -8.1256 -8.1255 -7.0741 -7.0741 -6.7479 -6.7477 -6.5457 -6.5456 -6.4432 -6.4431 -4.2655 -4.2650 -2.2884 -2.2874 0.1067 0.1074 0.5208 0.5277 0.5891 0.5903 1.1388 1.1509 1.6609 1.6626 2.2693 2.3535 2.5140 2.5414 2.6868 2.8366 3.0412 3.0982 3.1380 3.1956 3.2813 3.3323 3.4053 3.5376 3.5636 3.5691 3.8857 3.8898 3.9778 3.9792 4.1092 4.1294 4.1817 4.2259 4.4920 4.5088 4.6945 4.7485 5.0044 5.0680 5.6617 5.6937 5.9003 5.9409 6.9067 6.9161 7.0537 7.0623 7.2171 7.2185 8.3083 8.3332 8.3384 8.3533 8.5961 8.6203 8.9360 8.9574 9.2643 9.3000 k = 0.2586-0.1488-0.0000 ( 8855 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3557 -9.3557 -8.1351 -8.1350 -7.0415 -7.0415 -6.7357 -6.7356 -6.5381 -6.5380 -6.4382 -6.4382 -4.2982 -4.2977 -2.3062 -2.3052 0.0894 0.0902 0.5168 0.5235 0.5899 0.5914 1.1210 1.1317 1.6259 1.6270 2.2834 2.3654 2.5130 2.5402 2.6928 2.8412 3.0556 3.1255 3.1577 3.1803 3.2710 3.3063 3.4393 3.5436 3.5733 3.5771 3.8933 3.9377 3.9757 4.0099 4.1132 4.1206 4.1745 4.2212 4.4912 4.5120 4.7365 4.8012 5.0074 5.0813 5.6739 5.7060 5.8718 5.9135 6.9185 6.9271 7.0609 7.0685 7.2095 7.2107 8.3132 8.3421 8.3462 8.3612 8.5953 8.6222 8.9266 8.9479 9.2917 9.3225 k = 0.2414-0.1389 0.0000 ( 8851 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3668 -9.3668 -8.1445 -8.1444 -7.0083 -7.0083 -6.7238 -6.7237 -6.5303 -6.5302 -6.4333 -6.4333 -4.3316 -4.3312 -2.3239 -2.3229 0.0716 0.0724 0.5138 0.5200 0.5907 0.5925 1.1050 1.1143 1.5914 1.5921 2.2997 2.3790 2.5126 2.5404 2.6970 2.8431 3.0535 3.1291 3.1590 3.1784 3.2760 3.2825 3.4773 3.5544 3.5810 3.5935 3.8939 3.9532 3.9990 4.0423 4.1165 4.1190 4.1726 4.2179 4.4949 4.5201 4.7771 4.8529 5.0124 5.0975 5.6855 5.7173 5.8486 5.8907 6.9303 6.9378 7.0671 7.0733 7.2014 7.2025 8.3141 8.3466 8.3545 8.3763 8.5952 8.6252 8.9140 8.9348 9.3130 9.3225 k = 0.2241-0.1289 0.0000 ( 8839 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3775 -9.3775 -8.1536 -8.1535 -6.9749 -6.9749 -6.7123 -6.7122 -6.5223 -6.5222 -6.4285 -6.4284 -4.3654 -4.3649 -2.3413 -2.3403 0.0537 0.0545 0.5112 0.5170 0.5915 0.5936 1.0912 1.0991 1.5579 1.5581 2.3177 2.3939 2.5129 2.5421 2.6995 2.8428 3.0320 3.0782 3.1775 3.1969 3.2717 3.2877 3.5139 3.5686 3.5915 3.6100 3.8864 3.9359 4.0391 4.0611 4.1262 4.1291 4.1831 4.2183 4.5050 4.5350 4.8150 4.9011 5.0206 5.1161 5.6958 5.7274 5.8318 5.8733 6.9417 6.9478 7.0722 7.0767 7.1930 7.1942 8.3160 8.3486 8.3651 8.3891 8.5960 8.6295 8.8980 8.9179 9.2874 9.3084 k = 0.2069-0.1190-0.0000 ( 8837 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3879 -9.3879 -8.1625 -8.1623 -6.9416 -6.9415 -6.7014 -6.7013 -6.5142 -6.5141 -6.4237 -6.4236 -4.3991 -4.3987 -2.3583 -2.3574 0.0360 0.0368 0.5089 0.5141 0.5920 0.5944 1.0802 1.0867 1.5255 1.5256 2.3371 2.4094 2.5138 2.5454 2.7004 2.8399 2.9953 3.0196 3.1975 3.2109 3.2764 3.3009 3.5476 3.5844 3.6043 3.6259 3.8713 3.9112 4.0583 4.0588 4.1385 4.1599 4.2096 4.2252 4.5239 4.5584 4.8492 4.9410 5.0353 5.1367 5.7047 5.7360 5.8224 5.8620 6.9524 6.9569 7.0762 7.0789 7.1845 7.1858 8.3198 8.3528 8.3727 8.3986 8.5985 8.6356 8.8777 8.8962 9.2389 9.2664 k = 0.1897-0.1091-0.0000 ( 8845 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3978 -9.3978 -8.1709 -8.1708 -6.9087 -6.9087 -6.6910 -6.6910 -6.5062 -6.5061 -6.4191 -6.4191 -4.4324 -4.4320 -2.3746 -2.3737 0.0189 0.0196 0.5062 0.5108 0.5923 0.5949 1.0724 1.0776 1.4946 1.4951 2.3573 2.4249 2.5154 2.5501 2.6997 2.8323 2.9522 2.9604 3.2161 3.2217 3.2909 3.3141 3.5778 3.6005 3.6191 3.6413 3.8502 3.8825 4.0459 4.0579 4.1558 4.1885 4.2419 4.2448 4.5543 4.5921 4.8791 4.9664 5.0615 5.1589 5.7118 5.7432 5.8207 5.8572 6.9619 6.9646 7.0793 7.0800 7.1760 7.1776 8.3255 8.3590 8.3773 8.4047 8.6028 8.6435 8.8518 8.8688 9.1889 9.2178 k = 0.1724-0.0992 0.0000 ( 8845 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4072 -9.4072 -8.1788 -8.1787 -6.8767 -6.8766 -6.6814 -6.6814 -6.4984 -6.4983 -6.4148 -6.4147 -4.4648 -4.4645 -2.3901 -2.3893 0.0027 0.0033 0.5030 0.5070 0.5924 0.5949 1.0681 1.0720 1.4657 1.4665 2.3777 2.4395 2.5175 2.5559 2.6974 2.8156 2.9035 2.9131 3.2318 3.2334 3.3087 3.3267 3.6045 3.6162 3.6354 3.6563 3.8249 3.8516 4.0294 4.0475 4.1735 4.2075 4.2661 4.2775 4.5973 4.6365 4.9052 4.9787 5.0974 5.1821 5.7176 5.7489 5.8266 5.8589 6.9698 6.9705 7.0801 7.0815 7.1677 7.1697 8.3327 8.3666 8.3793 8.4077 8.6092 8.6532 8.8195 8.8347 9.1424 9.1718 k = 0.1552-0.0893 0.0000 ( 8847 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4159 -9.4159 -8.1862 -8.1861 -6.8459 -6.8458 -6.6726 -6.6726 -6.4908 -6.4907 -6.4108 -6.4107 -4.4960 -4.4957 -2.4046 -2.4039 -0.0125 -0.0119 0.4991 0.5026 0.5921 0.5946 1.0671 1.0699 1.4391 1.4402 2.3974 2.4524 2.5201 2.5615 2.6937 2.7847 2.8516 2.8871 3.2424 3.2498 3.3266 3.3385 3.6275 3.6306 3.6528 3.6706 3.7977 3.8204 4.0106 4.0332 4.1903 4.2215 4.2893 4.3023 4.6494 4.6890 4.9290 4.9849 5.1366 5.2058 5.7226 5.7535 5.8388 5.8665 6.9742 6.9756 7.0798 7.0832 7.1597 7.1621 8.3405 8.3745 8.3794 8.4084 8.6172 8.6643 8.7810 8.7940 9.1027 9.1318 k = 0.1379-0.0794 0.0000 ( 8845 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4239 -9.4239 -8.1929 -8.1929 -6.8167 -6.8167 -6.6646 -6.6646 -6.4837 -6.4836 -6.4071 -6.4070 -4.5256 -4.5252 -2.4180 -2.4173 -0.0264 -0.0259 0.4946 0.4976 0.5915 0.5938 1.0692 1.0711 1.4151 1.4163 2.4154 2.4628 2.5233 2.5648 2.6895 2.7439 2.8075 2.8725 3.2539 3.2656 3.3431 3.3493 3.6429 3.6456 3.6706 3.6836 3.7718 3.7911 3.9904 4.0172 4.2060 4.2337 4.3077 4.3196 4.7037 4.7441 4.9537 4.9911 5.1750 5.2292 5.7275 5.7571 5.8560 5.8792 6.9755 6.9787 7.0793 7.0844 7.1523 7.1549 8.3477 8.3786 8.3812 8.4080 8.6252 8.6764 8.7393 8.7489 9.0708 9.0991 k = 0.1207-0.0694 0.0000 ( 8843 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4311 -9.4311 -8.1990 -8.1989 -6.7896 -6.7896 -6.6574 -6.6574 -6.4771 -6.4770 -6.4038 -6.4038 -4.5529 -4.5527 -2.4301 -2.4295 -0.0390 -0.0385 0.4896 0.4921 0.5906 0.5927 1.0740 1.0750 1.3938 1.3950 2.4300 2.4697 2.5272 2.5627 2.6874 2.7022 2.7733 2.8630 3.2662 3.2808 3.3577 3.3592 3.6506 3.6550 3.6878 3.6942 3.7529 3.7681 3.9694 4.0001 4.2203 4.2446 4.3216 4.3314 4.7515 4.7935 4.9834 5.0033 5.2108 5.2519 5.7327 5.7601 5.8766 5.8956 6.9742 6.9787 7.0790 7.0853 7.1454 7.1482 8.3523 8.3782 8.3838 8.4082 8.6283 8.6850 8.7029 8.7069 9.0465 9.0733 k = 0.1034-0.0595 0.0000 ( 8847 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4375 -9.4375 -8.2044 -8.2043 -6.7650 -6.7650 -6.6512 -6.6512 -6.4711 -6.4710 -6.4010 -6.4009 -4.5778 -4.5775 -2.4409 -2.4403 -0.0500 -0.0496 0.4844 0.4865 0.5896 0.5914 1.0807 1.0811 1.3753 1.3765 2.4391 2.4712 2.5320 2.5546 2.6660 2.6900 2.7487 2.8547 3.2796 3.2957 3.3679 3.3699 3.6488 3.6494 3.7023 3.7037 3.7488 3.7567 3.9481 3.9825 4.2331 4.2542 4.3319 4.3397 4.7867 4.8285 5.0210 5.0269 5.2436 5.2734 5.7381 5.7627 5.8990 5.9142 6.9704 6.9757 7.0792 7.0859 7.1394 7.1420 8.3527 8.3785 8.3811 8.4086 8.6149 8.6549 8.6882 8.7073 9.0284 9.0530 k = 0.0862-0.0496-0.0000 ( 8835 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4429 -9.4429 -8.2090 -8.2089 -6.7433 -6.7433 -6.6459 -6.6459 -6.4658 -6.4657 -6.3986 -6.3986 -4.5996 -4.5994 -2.4501 -2.4497 -0.0594 -0.0591 0.4792 0.4809 0.5885 0.5901 1.0884 1.0884 1.3598 1.3609 2.4406 2.4652 2.5377 2.5455 2.6396 2.6965 2.7328 2.8463 3.2938 3.3103 3.3756 3.3798 3.6306 3.6344 3.7117 3.7183 3.7572 3.7583 3.9270 3.9646 4.2442 4.2622 4.3398 4.3458 4.8084 4.8463 5.0620 5.0643 5.2729 5.2935 5.7438 5.7651 5.9216 5.9334 6.9646 6.9700 7.0799 7.0863 7.1342 7.1366 8.3483 8.3734 8.3787 8.4065 8.5912 8.6197 8.6943 8.7203 9.0152 9.0371 k = 0.0690-0.0397-0.0000 ( 8831 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4475 -9.4475 -8.2128 -8.2128 -6.7249 -6.7248 -6.6415 -6.6415 -6.4614 -6.4613 -6.3967 -6.3966 -4.6181 -4.6179 -2.4578 -2.4574 -0.0672 -0.0669 0.4744 0.4757 0.5875 0.5887 1.0961 1.0963 1.3473 1.3483 2.4347 2.4514 2.5405 2.5430 2.6254 2.6989 2.7288 2.8368 3.3087 3.3244 3.3821 3.3871 3.6069 3.6130 3.7234 3.7316 3.7633 3.7732 3.9067 3.9464 4.2536 4.2683 4.3458 4.3503 4.8205 4.8516 5.1015 5.1073 5.2988 5.3119 5.7498 5.7673 5.9429 5.9517 6.9575 6.9624 7.0809 7.0865 7.1299 7.1320 8.3397 8.3607 8.3783 8.4012 8.5734 8.5943 8.7074 8.7331 9.0058 9.0245 k = 0.0517-0.0298 0.0000 ( 8827 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4510 -9.4510 -8.2158 -8.2158 -6.7101 -6.7101 -6.6381 -6.6381 -6.4579 -6.4578 -6.3952 -6.3952 -4.6329 -4.6327 -2.4638 -2.4636 -0.0732 -0.0730 0.4703 0.4713 0.5866 0.5875 1.1031 1.1035 1.3377 1.3385 2.4242 2.4343 2.5397 2.5462 2.6230 2.6909 2.7389 2.8262 3.3236 3.3373 3.3873 3.3920 3.5840 3.5905 3.7362 3.7429 3.7708 3.7887 3.8886 3.9283 4.2613 4.2725 4.3504 4.3537 4.8271 4.8505 5.1376 5.1441 5.3207 5.3283 5.7558 5.7692 5.9613 5.9676 6.9502 6.9543 7.0820 7.0865 7.1267 7.1283 8.3282 8.3440 8.3779 8.3950 8.5647 8.5787 8.7222 8.7443 8.9997 9.0144 k = 0.0345-0.0198-0.0000 ( 8827 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4536 -9.4536 -8.2180 -8.2179 -6.6993 -6.6993 -6.6356 -6.6356 -6.4553 -6.4553 -6.3942 -6.3942 -4.6436 -4.6436 -2.4682 -2.4680 -0.0776 -0.0774 0.4673 0.4679 0.5859 0.5866 1.1088 1.1092 1.3311 1.3316 2.4135 2.4189 2.5410 2.5470 2.6293 2.6790 2.7540 2.8140 3.3376 3.3481 3.3910 3.3946 3.5653 3.5709 3.7480 3.7517 3.7788 3.8009 3.8751 3.9105 4.2672 4.2748 4.3538 4.3559 4.8311 4.8467 5.1657 5.1711 5.3378 5.3416 5.7613 5.7704 5.9756 5.9796 6.9439 6.9468 7.0832 7.0862 7.1245 7.1255 8.3167 8.3270 8.3783 8.3897 8.5622 8.5705 8.7361 8.7524 8.9963 9.0066 k = 0.0172-0.0099-0.0000 ( 8827 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4551 -9.4551 -8.2193 -8.2193 -6.6927 -6.6927 -6.6341 -6.6341 -6.4537 -6.4537 -6.3936 -6.3936 -4.6502 -4.6501 -2.4708 -2.4707 -0.0802 -0.0801 0.4654 0.4657 0.5856 0.5859 1.1126 1.1128 1.3272 1.3275 2.4060 2.4083 2.5429 2.5463 2.6401 2.6661 2.7700 2.8005 3.3489 3.3547 3.3932 3.3953 3.5534 3.5568 3.7563 3.7574 3.7882 3.8045 3.8715 3.8937 4.2715 4.2754 4.3560 4.3571 4.8345 4.8423 5.1836 5.1867 5.3489 5.3505 5.7659 5.7705 5.9850 5.9869 6.9399 6.9414 7.0842 7.0857 7.1232 7.1238 8.3091 8.3141 8.3797 8.3854 8.5626 8.5664 8.7474 8.7560 8.9955 9.0008 k = 0.0000 0.0000 0.0000 ( 8817 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4556 -9.4556 -8.2197 -8.2197 -6.6905 -6.6905 -6.6337 -6.6337 -6.4532 -6.4532 -6.3934 -6.3934 -4.6524 -4.6524 -2.4716 -2.4716 -0.0810 -0.0810 0.4649 0.4649 0.5856 0.5856 1.1139 1.1139 1.3260 1.3260 2.4040 2.4040 2.5448 2.5448 2.6529 2.6529 2.7858 2.7858 3.3552 3.3552 3.3946 3.3946 3.5505 3.5505 3.7592 3.7592 3.7983 3.7983 3.8793 3.8793 4.2743 4.2743 4.3571 4.3571 4.8381 4.8381 5.1907 5.1907 5.3532 5.3532 5.7691 5.7691 5.9888 5.9888 6.9389 6.9389 7.0850 7.0850 7.1230 7.1230 8.3079 8.3079 8.3821 8.3821 8.5641 8.5641 8.7544 8.7544 8.9970 8.9970 k = 0.0000 0.0000 0.0000 ( 8817 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4556 -9.4556 -8.2197 -8.2197 -6.6905 -6.6905 -6.6337 -6.6337 -6.4532 -6.4532 -6.3934 -6.3934 -4.6524 -4.6524 -2.4716 -2.4716 -0.0810 -0.0810 0.4649 0.4649 0.5856 0.5856 1.1139 1.1139 1.3260 1.3260 2.4040 2.4040 2.5448 2.5448 2.6529 2.6529 2.7858 2.7858 3.3552 3.3552 3.3946 3.3946 3.5505 3.5505 3.7592 3.7592 3.7983 3.7983 3.8793 3.8793 4.2743 4.2743 4.3571 4.3571 4.8381 4.8381 5.1907 5.1907 5.3532 5.3532 5.7691 5.7691 5.9888 5.9888 6.9389 6.9389 7.0850 7.0850 7.1230 7.1230 8.3079 8.3079 8.3821 8.3821 8.5641 8.5641 8.7544 8.7544 8.9970 8.9970 k = 0.0167 0.0097-0.0051 ( 8826 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4551 -9.4551 -8.2194 -8.2193 -6.6911 -6.6910 -6.6349 -6.6348 -6.4542 -6.4540 -6.3940 -6.3938 -4.6503 -4.6502 -2.4709 -2.4709 -0.0802 -0.0801 0.4656 0.4658 0.5856 0.5867 1.1135 1.1160 1.3235 1.3262 2.4024 2.4092 2.5346 2.5524 2.6479 2.6622 2.7731 2.7995 3.3513 3.3556 3.3886 3.3969 3.5509 3.5534 3.7519 3.7627 3.7915 3.8092 3.8754 3.8871 4.2663 4.2799 4.3495 4.3633 4.8358 4.8401 5.1862 5.1891 5.3448 5.3487 5.7621 5.7712 5.9854 5.9889 6.9398 6.9413 7.0845 7.0864 7.1219 7.1236 8.3102 8.3143 8.3775 8.3834 8.5621 8.5736 8.7502 8.7556 8.9962 9.0026 k = 0.0333 0.0194-0.0101 ( 8831 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4537 -9.4537 -8.2183 -8.2183 -6.6932 -6.6929 -6.6385 -6.6381 -6.4568 -6.4565 -6.3957 -6.3953 -4.6440 -4.6439 -2.4688 -2.4687 -0.0776 -0.0774 0.4678 0.4682 0.5868 0.5890 1.1146 1.1197 1.3190 1.3243 2.4041 2.4176 2.5227 2.5568 2.6479 2.6754 2.7620 2.8138 3.3440 3.3523 3.3809 3.3954 3.5547 3.5585 3.7443 3.7591 3.7903 3.8214 3.8759 3.8992 4.2563 4.2829 4.3406 4.3678 4.8328 4.8417 5.1753 5.1807 5.3247 5.3323 5.7508 5.7681 5.9793 5.9854 6.9436 6.9465 7.0848 7.0887 7.1205 7.1237 8.3196 8.3286 8.3713 8.3823 8.5670 8.5893 8.7440 8.7542 9.0002 9.0122 k = 0.0500 0.0291-0.0152 ( 8834 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4513 -9.4513 -8.2166 -8.2166 -6.6969 -6.6965 -6.6440 -6.6434 -6.4610 -6.4606 -6.3984 -6.3980 -4.6336 -4.6334 -2.4654 -2.4652 -0.0733 -0.0729 0.4717 0.4722 0.5890 0.5924 1.1169 1.1246 1.3130 1.3212 2.4074 2.4273 2.5107 2.5580 2.6535 2.6923 2.7534 2.8285 3.3326 3.3452 3.3734 3.3911 3.5604 3.5640 3.7382 3.7516 3.7906 3.8323 3.8826 3.9158 4.2442 4.2830 4.3311 4.3706 4.8285 4.8425 5.1567 5.1639 5.2959 5.3073 5.7353 5.7595 5.9714 5.9789 6.9497 6.9537 7.0857 7.0917 7.1188 7.1236 8.3305 8.3455 8.3696 8.3836 8.5771 8.6090 8.7378 8.7515 9.0084 9.0245 k = 0.0667 0.0388-0.0202 ( 8836 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4479 -9.4479 -8.2142 -8.2142 -6.7028 -6.7023 -6.6508 -6.6500 -6.4666 -6.4661 -6.4023 -6.4017 -4.6194 -4.6191 -2.4605 -2.4603 -0.0672 -0.0668 0.4769 0.4776 0.5922 0.5968 1.1201 1.1304 1.3069 1.3179 2.4105 2.4342 2.5015 2.5566 2.6650 2.7129 2.7483 2.8436 3.3175 3.3361 3.3662 3.3852 3.5657 3.5687 3.7337 3.7435 3.7893 3.8398 3.8972 3.9366 4.2304 4.2798 4.3212 4.3714 4.8215 4.8415 5.1288 5.1367 5.2629 5.2791 5.7161 5.7456 5.9625 5.9702 6.9569 6.9618 7.0869 7.0953 7.1171 7.1236 8.3327 8.3503 8.3856 8.3968 8.5904 8.6303 8.7341 8.7497 9.0195 9.0382 k = 0.0833 0.0485-0.0253 ( 8837 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4436 -9.4436 -8.2112 -8.2111 -6.7118 -6.7111 -6.6579 -6.6569 -6.4734 -6.4728 -6.4071 -6.4065 -4.6015 -4.6012 -2.4544 -2.4541 -0.0595 -0.0589 0.4835 0.4844 0.5961 0.6020 1.1234 1.1361 1.3021 1.3160 2.4109 2.4341 2.4985 2.5533 2.6810 2.7343 2.7517 2.8592 3.3000 3.3261 3.3582 3.3784 3.5682 3.5727 3.7285 3.7376 3.7869 3.8449 3.9183 3.9609 4.2151 4.2731 4.3115 4.3701 4.8098 4.8367 5.0908 5.0992 5.2295 5.2525 5.6933 5.7272 5.9530 5.9601 6.9641 6.9696 7.0881 7.0990 7.1159 7.1242 8.3271 8.3469 8.4090 8.4215 8.6056 8.6508 8.7364 8.7520 9.0323 9.0523 k = 0.1000 0.0581-0.0303 ( 8840 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4385 -9.4384 -8.2075 -8.2075 -6.7244 -6.7238 -6.6644 -6.6634 -6.4811 -6.4806 -6.4131 -6.4124 -4.5803 -4.5799 -2.4470 -2.4466 -0.0502 -0.0495 0.4911 0.4926 0.6005 0.6080 1.1264 1.1408 1.3007 1.3168 2.4062 2.4273 2.5009 2.5491 2.6980 2.7461 2.7773 2.8762 3.2814 3.3161 3.3484 3.3712 3.5673 3.5749 3.7198 3.7348 3.7849 3.8494 3.9437 3.9876 4.1986 4.2633 4.3015 4.3665 4.7902 4.8241 5.0460 5.0561 5.1972 5.2295 5.6680 5.7059 5.9428 5.9498 6.9703 6.9760 7.0891 7.1021 7.1160 7.1257 8.3195 8.3417 8.4302 8.4469 8.6214 8.6687 8.7469 8.7629 9.0461 9.0667 k = 0.1167 0.0678-0.0354 ( 8841 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4324 -9.4324 -8.2032 -8.2032 -6.7409 -6.7403 -6.6699 -6.6689 -6.4898 -6.4892 -6.4199 -6.4192 -4.5561 -4.5557 -2.4384 -2.4380 -0.0393 -0.0385 0.4996 0.5020 0.6052 0.6145 1.1286 1.1438 1.3041 1.3217 2.3951 2.4185 2.5041 2.5447 2.7103 2.7613 2.8150 2.8960 3.2625 3.3065 3.3366 3.3636 3.5638 3.5742 3.7087 3.7317 3.7853 3.8547 3.9716 4.0158 4.1812 4.2512 4.2906 4.3602 4.7588 4.7979 5.0022 5.0161 5.1651 5.2089 5.6417 5.6835 5.9314 5.9401 6.9747 6.9801 7.0900 7.1036 7.1182 7.1283 8.3119 8.3361 8.4450 8.4663 8.6359 8.6838 8.7657 8.7865 9.0602 9.0816 k = 0.1333 0.0775-0.0404 ( 8846 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4256 -9.4256 -8.1984 -8.1983 -6.7608 -6.7603 -6.6746 -6.6737 -6.4992 -6.4986 -6.4276 -6.4269 -4.5293 -4.5289 -2.4288 -2.4284 -0.0270 -0.0260 0.5087 0.5126 0.6099 0.6214 1.1299 1.1449 1.3134 1.3313 2.3794 2.4089 2.5054 2.5404 2.7169 2.7824 2.8591 2.9207 3.2439 3.2978 3.3230 3.3554 3.5581 3.5706 3.6960 3.7256 3.7893 3.8609 4.0007 4.0445 4.1633 4.2379 4.2775 4.3507 4.7131 4.7541 4.9647 4.9875 5.1319 5.1892 5.6161 5.6621 5.9191 5.9308 6.9768 6.9816 7.0909 7.1038 7.1222 7.1320 8.3044 8.3304 8.4526 8.4772 8.6478 8.6947 8.7941 8.8198 9.0747 9.0980 k = 0.1500 0.0872-0.0455 ( 8847 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4180 -9.4180 -8.1930 -8.1929 -6.7836 -6.7832 -6.6788 -6.6779 -6.5092 -6.5087 -6.4360 -6.4353 -4.5004 -4.4999 -2.4182 -2.4177 -0.0134 -0.0122 0.5184 0.5241 0.6144 0.6286 1.1306 1.1448 1.3285 1.3459 2.3618 2.3982 2.5042 2.5363 2.7206 2.8030 2.9077 2.9519 3.2257 3.2894 3.3086 3.3467 3.5505 3.5642 3.6821 3.7160 3.7962 3.8677 4.0299 4.0724 4.1459 4.2241 4.2612 4.3371 4.6553 4.6964 4.9334 4.9718 5.0965 5.1696 5.5936 5.6436 5.9062 5.9215 6.9764 6.9804 7.0919 7.1034 7.1273 7.1364 8.2967 8.3242 8.4545 8.4807 8.6567 8.7006 8.8296 8.8573 9.0904 9.1166 k = 0.1667 0.0969-0.0505 ( 8853 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4097 -9.4097 -8.1871 -8.1871 -6.8088 -6.8084 -6.6826 -6.6818 -6.5199 -6.5194 -6.4450 -6.4443 -4.4696 -4.4691 -2.4067 -2.4062 0.0014 0.0027 0.5285 0.5364 0.6186 0.6359 1.1313 1.1448 1.3487 1.3651 2.3438 2.3863 2.5011 2.5322 2.7230 2.8193 2.9590 2.9895 3.2080 3.2778 3.2974 3.3376 3.5410 3.5555 3.6673 3.7036 3.8046 3.8745 4.0572 4.0956 4.1324 4.2100 4.2413 4.3181 4.5918 4.6335 4.9054 4.9646 5.0583 5.1495 5.5762 5.6295 5.8929 5.9117 6.9734 6.9770 7.0930 7.1029 7.1328 7.1412 8.2886 8.3172 8.4530 8.4792 8.6623 8.7020 8.8655 8.8933 9.1085 9.1374 k = 0.1833 0.1066-0.0556 ( 8850 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4008 -9.4008 -8.1808 -8.1808 -6.8357 -6.8353 -6.6862 -6.6854 -6.5311 -6.5307 -6.4544 -6.4537 -4.4374 -4.4368 -2.3945 -2.3940 0.0171 0.0187 0.5387 0.5494 0.6224 0.6434 1.1328 1.1461 1.3732 1.3884 2.3262 2.3738 2.4966 2.5278 2.7244 2.8309 3.0098 3.0311 3.1910 3.2604 3.2930 3.3290 3.5295 3.5451 3.6521 3.6893 3.8130 3.8808 4.0749 4.1033 4.1385 4.1938 4.2190 4.2924 4.5304 4.5731 4.8777 4.9615 5.0173 5.1291 5.5656 5.6211 5.8790 5.9011 6.9680 6.9719 7.0939 7.1023 7.1384 7.1462 8.2796 8.3092 8.4499 8.4751 8.6642 8.6995 8.8969 8.9236 9.1296 9.1590 k = 0.2000 0.1163-0.0606 ( 8856 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3914 -9.3913 -8.1742 -8.1741 -6.8639 -6.8636 -6.6897 -6.6889 -6.5429 -6.5426 -6.4640 -6.4634 -4.4042 -4.4036 -2.3817 -2.3812 0.0336 0.0353 0.5489 0.5629 0.6260 0.6511 1.1355 1.1494 1.4010 1.4150 2.3094 2.3614 2.4916 2.5231 2.7249 2.8386 3.0546 3.0737 3.1753 3.2404 3.2918 3.3243 3.5159 3.5332 3.6370 3.6740 3.8204 3.8860 4.0634 4.1156 4.1542 4.1729 4.2007 4.2613 4.4784 4.5205 4.8481 4.9598 4.9745 5.1087 5.5627 5.6191 5.8647 5.8897 6.9609 6.9657 7.0943 7.1015 7.1439 7.1512 8.2696 8.2999 8.4461 8.4701 8.6623 8.6934 8.9215 8.9460 9.1518 9.1792 k = 0.2167 0.1260-0.0657 ( 8853 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3814 -9.3814 -8.1671 -8.1671 -6.8930 -6.8927 -6.6931 -6.6924 -6.5552 -6.5549 -6.4738 -6.4731 -4.3704 -4.3697 -2.3684 -2.3679 0.0506 0.0525 0.5591 0.5766 0.6298 0.6591 1.1400 1.1552 1.4314 1.4445 2.2939 2.3495 2.4863 2.5184 2.7243 2.8433 3.0846 3.1112 3.1646 3.2231 3.2878 3.3302 3.5000 3.5200 3.6224 3.6587 3.8260 3.8896 4.0357 4.1164 4.1406 4.1725 4.1920 4.2363 4.4398 4.4783 4.8155 4.9272 4.9617 5.0893 5.5676 5.6236 5.8499 5.8774 6.9527 6.9586 7.0938 7.1003 7.1493 7.1561 8.2587 8.2894 8.4422 8.4649 8.6566 8.6839 8.9397 8.9611 9.1716 9.1967 k = 0.2333 0.1357-0.0707 ( 8852 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3711 -9.3710 -8.1599 -8.1598 -6.9226 -6.9223 -6.6965 -6.6958 -6.5679 -6.5676 -6.4835 -6.4829 -4.3362 -4.3356 -2.3548 -2.3542 0.0677 0.0698 0.5692 0.5902 0.6342 0.6675 1.1465 1.1634 1.4638 1.4760 2.2799 2.3385 2.4812 2.5137 2.7224 2.8456 3.0905 3.1283 3.1647 3.2197 3.2803 3.3490 3.4818 3.5057 3.6083 3.6454 3.8295 3.8907 3.9998 4.0758 4.1335 4.1610 4.2012 4.2327 4.4143 4.4468 4.7798 4.8806 4.9625 5.0717 5.5797 5.6344 5.8347 5.8642 6.9441 6.9510 7.0923 7.0984 7.1545 7.1609 8.2468 8.2779 8.4381 8.4599 8.6475 8.6716 8.9529 8.9711 9.1864 9.2115 k = 0.2500 0.1454-0.0758 ( 8852 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3605 -9.3604 -8.1524 -8.1524 -6.9523 -6.9520 -6.6999 -6.6992 -6.5809 -6.5806 -6.4930 -6.4925 -4.3022 -4.3016 -2.3410 -2.3405 0.0846 0.0870 0.5794 0.6032 0.6402 0.6767 1.1552 1.1738 1.4977 1.5092 2.2677 2.3287 2.4764 2.5092 2.7190 2.8457 3.0744 3.1205 3.1687 3.2312 3.2759 3.3745 3.4617 3.4911 3.5948 3.6359 3.8315 3.8873 3.9618 4.0234 4.1186 4.1503 4.2132 4.2423 4.3996 4.4252 4.7415 4.8334 4.9644 5.0567 5.5980 5.6507 5.8194 5.8502 6.9355 6.9432 7.0896 7.0957 7.1594 7.1653 8.2343 8.2657 8.4336 8.4550 8.6356 8.6568 8.9626 8.9777 9.1966 9.2231 k = 0.2667 0.1551-0.0808 ( 8848 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3497 -9.3497 -8.1449 -8.1448 -6.9818 -6.9815 -6.7033 -6.7026 -6.5941 -6.5938 -6.5023 -6.5018 -4.2686 -4.2679 -2.3273 -2.3267 0.1010 0.1036 0.5897 0.6150 0.6485 0.6866 1.1659 1.1861 1.5323 1.5433 2.2573 2.3204 2.4722 2.5051 2.7138 2.8436 3.0472 3.0988 3.1724 3.2327 3.2818 3.3955 3.4411 3.4801 3.5829 3.6321 3.8331 3.8735 3.9327 3.9711 4.1031 4.1404 4.2222 4.2539 4.3924 4.4140 4.7016 4.7866 4.9674 5.0448 5.6212 5.6714 5.8045 5.8358 6.9272 6.9356 7.0858 7.0920 7.1639 7.1695 8.2213 8.2529 8.4286 8.4500 8.6215 8.6404 8.9699 8.9824 9.2034 9.2315 k = 0.2833 0.1647-0.0859 ( 8850 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3389 -9.3388 -8.1373 -8.1372 -7.0108 -7.0105 -6.7066 -6.7060 -6.6073 -6.6071 -6.5113 -6.5107 -4.2357 -4.2351 -2.3136 -2.3130 0.1166 0.1194 0.6005 0.6256 0.6596 0.6974 1.1782 1.1999 1.5674 1.5780 2.2488 2.3137 2.4687 2.5015 2.7062 2.8383 3.0143 3.0720 3.1738 3.2232 3.2868 3.3956 3.4237 3.4799 3.5747 3.6340 3.8336 3.8500 3.9165 3.9277 4.0896 4.1292 4.2270 4.2630 4.3895 4.4142 4.6612 4.7411 4.9716 5.0360 5.6477 5.6949 5.7909 5.8217 6.9195 6.9285 7.0808 7.0872 7.1680 7.1732 8.2079 8.2396 8.4228 8.4446 8.6061 8.6230 8.9757 8.9858 9.2078 9.2368 k = 0.3000 0.1744-0.0909 ( 8854 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3281 -9.3281 -8.1298 -8.1297 -7.0389 -7.0386 -6.7099 -6.7093 -6.6204 -6.6201 -6.5198 -6.5193 -4.2039 -4.2033 -2.3002 -2.2996 0.1310 0.1339 0.6120 0.6354 0.6731 0.7090 1.1920 1.2148 1.6022 1.6125 2.2423 2.3085 2.4661 2.4984 2.6955 2.8283 2.9796 3.0432 3.1726 3.2103 3.2794 3.3760 3.4095 3.4854 3.5722 3.6404 3.8154 3.8464 3.8866 3.9159 4.0777 4.1164 4.2290 4.2675 4.3909 4.4229 4.6218 4.6978 4.9770 5.0305 5.6753 5.7172 5.7818 5.8092 6.9127 6.9219 7.0746 7.0812 7.1716 7.1765 8.1943 8.2258 8.4161 8.4388 8.5901 8.6056 8.9804 8.9885 9.2100 9.2393 k = 0.3167 0.1841-0.0960 ( 8854 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3175 -9.3175 -8.1224 -8.1224 -7.0660 -7.0657 -6.7132 -6.7127 -6.6331 -6.6328 -6.5278 -6.5273 -4.1735 -4.1729 -2.2873 -2.2867 0.1440 0.1471 0.6243 0.6453 0.6882 0.7213 1.2069 1.2305 1.6364 1.6463 2.2377 2.3049 2.4643 2.4960 2.6810 2.8101 2.9479 3.0138 3.1687 3.1966 3.2598 3.3497 3.3968 3.4854 3.5737 3.6490 3.7939 3.8441 3.8730 3.9117 4.0670 4.1025 4.2297 4.2674 4.3963 4.4360 4.5852 4.6579 4.9835 5.0279 5.6991 5.7295 5.7856 5.8025 6.9069 6.9161 7.0675 7.0741 7.1748 7.1793 8.1805 8.2116 8.4087 8.4323 8.5744 8.5891 8.9839 8.9905 9.2101 9.2390 k = 0.3333 0.1938-0.1010 ( 8854 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3072 -9.3072 -8.1153 -8.1152 -7.0916 -7.0914 -6.7165 -6.7160 -6.6452 -6.6450 -6.5353 -6.5348 -4.1447 -4.1441 -2.2749 -2.2744 0.1555 0.1586 0.6374 0.6557 0.7042 0.7342 1.2226 1.2467 1.6694 1.6790 2.2348 2.3026 2.4635 2.4940 2.6617 2.7805 2.9240 2.9856 3.1618 3.1829 3.2334 3.3206 3.3858 3.4794 3.5751 3.6570 3.7800 3.8270 3.8851 3.9082 4.0574 4.0885 4.2305 4.2639 4.4037 4.4502 4.5538 4.6231 4.9909 5.0278 5.7095 5.7295 5.8002 5.8141 6.9020 6.9112 7.0594 7.0661 7.1774 7.1816 8.1664 8.1968 8.4007 8.4251 8.5595 8.5741 8.9863 8.9920 9.2083 9.2363 k = 0.3500 0.2035-0.1061 ( 8857 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2974 -9.2974 -8.1085 -8.1085 -7.1157 -7.1154 -6.7198 -6.7193 -6.6566 -6.6564 -6.5422 -6.5418 -4.1178 -4.1172 -2.2632 -2.2628 0.1653 0.1685 0.6510 0.6666 0.7209 0.7476 1.2389 1.2631 1.7007 1.7100 2.2333 2.3015 2.4635 2.4921 2.6370 2.7398 2.9091 2.9609 3.1513 3.1690 3.2063 3.2907 3.3761 3.4700 3.5751 3.6618 3.7737 3.8117 3.8929 3.9122 4.0483 4.0764 4.2315 4.2587 4.4099 4.4603 4.5324 4.5958 4.9988 5.0296 5.7043 5.7241 5.8217 5.8422 6.8982 6.9070 7.0505 7.0572 7.1794 7.1834 8.1522 8.1814 8.3926 8.4174 8.5462 8.5610 8.9873 8.9927 9.2046 9.2314 k = 0.3667 0.2132-0.1111 ( 8857 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2881 -9.2881 -8.1022 -8.1021 -7.1378 -7.1376 -6.7232 -6.7227 -6.6670 -6.6668 -6.5485 -6.5481 -4.0930 -4.0925 -2.2524 -2.2520 0.1736 0.1767 0.6648 0.6778 0.7378 0.7613 1.2555 1.2794 1.7300 1.7387 2.2331 2.3010 2.4641 2.4896 2.6076 2.6925 2.9007 2.9418 3.1368 3.1533 3.1838 3.2611 3.3681 3.4591 3.5750 3.6628 3.7726 3.7999 3.8862 3.9250 4.0392 4.0687 4.2313 4.2542 4.4121 4.4592 4.5277 4.5788 5.0069 5.0328 5.6940 5.7140 5.8510 5.8735 6.8953 6.9036 7.0412 7.0476 7.1810 7.1846 8.1378 8.1654 8.3849 8.4095 8.5349 8.5500 8.9870 8.9926 9.1996 9.2247 k = 0.3833 0.2229-0.1162 ( 8857 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2796 -9.2796 -8.0963 -8.0962 -7.1579 -7.1577 -6.7266 -6.7261 -6.6763 -6.6761 -6.5541 -6.5538 -4.0706 -4.0701 -2.2426 -2.2422 0.1804 0.1834 0.6782 0.6889 0.7547 0.7749 1.2724 1.2954 1.7567 1.7648 2.2336 2.3009 2.4642 2.4849 2.5760 2.6437 2.8963 2.9294 3.1178 3.1357 3.1680 3.2330 3.3620 3.4475 3.5760 3.6616 3.7734 3.7916 3.8752 3.9318 4.0307 4.0658 4.2278 4.2528 4.4100 4.4479 4.5374 4.5741 5.0148 5.0366 5.6834 5.7021 5.8827 5.9045 6.8933 6.9010 7.0316 7.0377 7.1821 7.1854 8.1236 8.1490 8.3780 8.4017 8.5259 8.5410 8.9853 8.9914 9.1936 9.2166 k = 0.4000 0.2326-0.1212 ( 8853 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2719 -9.2719 -8.0910 -8.0910 -7.1758 -7.1756 -6.7300 -6.7296 -6.6842 -6.6840 -6.5591 -6.5588 -4.0507 -4.0503 -2.2338 -2.2335 0.1859 0.1887 0.6909 0.6994 0.7711 0.7882 1.2891 1.3107 1.7806 1.7879 2.2346 2.3004 2.4602 2.4773 2.5475 2.5983 2.8950 2.9233 3.0954 3.1187 3.1561 3.2075 3.3582 3.4361 3.5786 3.6594 3.7737 3.7867 3.8627 3.9288 4.0246 4.0654 4.2225 4.2535 4.4055 4.4341 4.5525 4.5796 5.0222 5.0405 5.6737 5.6904 5.9139 5.9339 6.8920 6.8989 7.0221 7.0279 7.1828 7.1857 8.1099 8.1327 8.3724 8.3942 8.5190 8.5335 8.9826 8.9889 9.1873 9.2078 k = 0.4167 0.2423-0.1263 ( 8854 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2652 -9.2651 -8.0864 -8.0864 -7.1912 -7.1910 -6.7333 -6.7330 -6.6907 -6.6906 -6.5633 -6.5630 -4.0336 -4.0332 -2.2263 -2.2260 0.1903 0.1927 0.7022 0.7088 0.7866 0.8006 1.3054 1.3250 1.8014 1.8077 2.2357 2.2987 2.4440 2.4696 2.5262 2.5628 2.8968 2.9222 3.0724 3.1018 3.1460 3.1854 3.3568 3.4250 3.5830 3.6566 3.7732 3.7846 3.8501 3.9173 4.0211 4.0640 4.2186 4.2541 4.4013 4.4217 4.5691 4.5909 5.0289 5.0441 5.6654 5.6796 5.9430 5.9604 6.8913 6.8973 7.0132 7.0184 7.1831 7.1857 8.0972 8.1170 8.3682 8.3875 8.5141 8.5275 8.9791 8.9853 9.1812 9.1989 k = 0.4333 0.2520-0.1313 ( 8857 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2595 -9.2594 -8.0826 -8.0825 -7.2040 -7.2038 -6.7365 -6.7362 -6.6958 -6.6957 -6.5668 -6.5666 -4.0193 -4.0190 -2.2199 -2.2197 0.1936 0.1957 0.7120 0.7169 0.8005 0.8117 1.3208 1.3377 1.8188 1.8240 2.2369 2.2948 2.4199 2.4561 2.5133 2.5427 2.9017 2.9244 3.0511 3.0839 3.1377 3.1675 3.3577 3.4145 3.5892 3.6532 3.7733 3.7841 3.8386 3.9008 4.0192 4.0596 4.2178 4.2530 4.3985 4.4122 4.5857 4.6036 5.0347 5.0469 5.6589 5.6704 5.9688 5.9832 6.8911 6.8960 7.0053 7.0097 7.1832 7.1854 8.0862 8.1025 8.3655 8.3817 8.5109 8.5225 8.9752 8.9809 9.1759 9.1906 k = 0.4500 0.2617-0.1364 ( 8864 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2549 -9.2549 -8.0795 -8.0795 -7.2141 -7.2140 -6.7393 -6.7391 -6.6995 -6.6995 -6.5695 -6.5693 -4.0081 -4.0079 -2.2149 -2.2147 0.1961 0.1977 0.7198 0.7234 0.8124 0.8207 1.3346 1.3481 1.8327 1.8366 2.2384 2.2873 2.3985 2.4342 2.5099 2.5336 2.9093 2.9288 3.0326 3.0648 3.1316 3.1536 3.3607 3.4046 3.5967 3.6484 3.7749 3.7845 3.8296 3.8821 4.0188 4.0523 4.2199 4.2501 4.3970 4.4059 4.6009 4.6151 5.0395 5.0488 5.6541 5.6627 5.9903 6.0014 6.8912 6.8949 6.9987 7.0023 7.1832 7.1849 8.0773 8.0898 8.3642 8.3768 8.5092 8.5185 8.9715 8.9763 9.1720 9.1832 k = 0.4667 0.2713-0.1414 ( 8863 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2517 -9.2516 -8.0773 -8.0772 -7.2213 -7.2213 -6.7414 -6.7413 -6.7021 -6.7020 -6.5715 -6.5714 -4.0000 -3.9999 -2.2113 -2.2112 0.1979 0.1990 0.7257 0.7280 0.8217 0.8272 1.3461 1.3554 1.8428 1.8455 2.2409 2.2763 2.3853 2.4124 2.5119 2.5283 2.9184 2.9338 3.0187 3.0455 3.1284 3.1432 3.3654 3.3954 3.6054 3.6420 3.7781 3.7854 3.8242 3.8631 4.0199 4.0437 4.2241 4.2457 4.3966 4.4020 4.6137 4.6235 5.0434 5.0497 5.6511 5.6569 6.0069 6.0144 6.8915 6.8941 6.9940 6.9964 7.1833 7.1844 8.0711 8.0796 8.3641 8.3727 8.5086 8.5151 8.9687 8.9721 9.1695 9.1771 k = 0.4833 0.2810-0.1465 ( 8865 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2497 -9.2496 -8.0759 -8.0759 -7.2257 -7.2257 -6.7428 -6.7428 -6.7036 -6.7035 -6.5726 -6.5726 -3.9951 -3.9951 -2.2091 -2.2090 0.1991 0.1996 0.7294 0.7305 0.8279 0.8307 1.3543 1.3592 1.8493 1.8506 2.2455 2.2639 2.3811 2.3954 2.5158 2.5241 2.9276 2.9367 3.0123 3.0282 3.1281 3.1356 3.3715 3.3867 3.6149 3.6339 3.7818 3.7860 3.8246 3.8458 4.0230 4.0353 4.2293 4.2405 4.3970 4.3996 4.6229 4.6279 5.0463 5.0495 5.6499 5.6528 6.0178 6.0217 6.8920 6.8933 6.9912 6.9925 7.1834 7.1839 8.0682 8.0725 8.3650 8.3694 8.5091 8.5124 8.9671 8.9689 9.1688 9.1726 k = 0.5000 0.2907-0.1516 ( 8872 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2490 -9.2490 -8.0754 -8.0754 -7.2272 -7.2272 -6.7433 -6.7433 -6.7040 -6.7040 -6.5730 -6.5730 -3.9935 -3.9935 -2.2083 -2.2083 0.1997 0.1997 0.7310 0.7310 0.8310 0.8310 1.3588 1.3588 1.8519 1.8519 2.2531 2.2531 2.3848 2.3848 2.5200 2.5200 2.9345 2.9345 3.0159 3.0159 3.1305 3.1305 3.3787 3.3787 3.6246 3.6246 3.7848 3.7848 3.8322 3.8322 4.0282 4.0282 4.2349 4.2349 4.3980 4.3980 4.6277 4.6277 5.0484 5.0484 5.6505 5.6505 6.0228 6.0228 6.8926 6.8926 6.9907 6.9907 7.1836 7.1836 8.0686 8.0686 8.3668 8.3668 8.5104 8.5104 8.9672 8.9672 9.1698 9.1698 k = 0.5000 0.2907 0.3240 ( 8864 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1946 -9.1946 -8.1724 -8.1724 -7.1321 -7.1321 -6.8478 -6.8478 -6.7312 -6.7312 -6.5475 -6.5475 -3.9488 -3.9488 -2.1348 -2.1348 0.2638 0.2638 0.5490 0.5490 0.8995 0.8995 1.4525 1.4525 1.8161 1.8161 2.2963 2.2963 2.4266 2.4266 2.5785 2.5785 2.8961 2.8961 2.9907 2.9907 3.1114 3.1114 3.2120 3.2120 3.6226 3.6226 3.7008 3.7008 3.9027 3.9027 4.0973 4.0973 4.2574 4.2574 4.4205 4.4205 4.6447 4.6447 4.8504 4.8504 5.7884 5.7884 6.0140 6.0140 6.9040 6.9040 7.0279 7.0279 7.1572 7.1572 8.0151 8.0151 8.5291 8.5291 8.5603 8.5603 8.8384 8.8384 8.9686 8.9686 k = 0.4848 0.2819 0.3142 ( 8858 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1953 -9.1953 -8.1725 -8.1725 -7.1311 -7.1310 -6.8469 -6.8469 -6.7310 -6.7310 -6.5473 -6.5472 -3.9504 -3.9503 -2.1356 -2.1355 0.2632 0.2637 0.5482 0.5489 0.8961 0.8987 1.4482 1.4529 1.8142 1.8165 2.2954 2.3043 2.4247 2.4294 2.5755 2.5833 2.8912 2.8992 2.9847 3.0004 3.1014 3.1228 3.2003 3.2258 3.6104 3.6325 3.6900 3.7098 3.9009 3.9121 4.0898 4.1012 4.2513 4.2642 4.4098 4.4279 4.6386 4.6518 4.8476 4.8569 5.7853 5.7894 6.0115 6.0138 6.9034 6.9046 7.0279 7.0294 7.1569 7.1588 8.0148 8.0173 8.5164 8.5270 8.5621 8.5734 8.8307 8.8462 8.9633 8.9776 k = 0.4697 0.2731 0.3044 ( 8862 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.1974 -9.1974 -8.1729 -8.1728 -7.1280 -7.1279 -6.8443 -6.8442 -6.7302 -6.7301 -6.5467 -6.5466 -3.9551 -3.9550 -2.1378 -2.1376 0.2621 0.2629 0.5466 0.5481 0.8886 0.8938 1.4405 1.4496 1.8109 1.8153 2.3009 2.3189 2.4237 2.4333 2.5741 2.5900 2.8850 2.9005 2.9828 3.0123 3.0945 3.1340 3.1921 3.2410 3.5971 3.6385 3.6798 3.7158 3.9073 3.9269 4.0794 4.1015 4.2463 4.2704 4.3977 4.4313 4.6347 4.6586 4.8485 4.8660 5.7802 5.7884 6.0066 6.0109 6.9028 6.9050 7.0296 7.0326 7.1581 7.1618 8.0164 8.0214 8.5010 8.5137 8.5752 8.5892 8.8242 8.8530 8.9624 8.9891 k = 0.4545 0.2643 0.2946 ( 8866 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2009 -9.2009 -8.1734 -8.1734 -7.1229 -7.1228 -6.8400 -6.8399 -6.7288 -6.7288 -6.5457 -6.5455 -3.9628 -3.9627 -2.1414 -2.1411 0.2603 0.2616 0.5443 0.5466 0.8772 0.8848 1.4298 1.4429 1.8059 1.8123 2.3111 2.3384 2.4239 2.4386 2.5749 2.5993 2.8785 2.9010 2.9837 3.0247 3.0923 3.1432 3.1895 3.2570 3.5835 3.6385 3.6733 3.7185 3.9207 3.9440 4.0679 4.0995 4.2417 4.2735 4.3874 4.4315 4.6339 4.6645 4.8531 4.8769 5.7731 5.7850 5.9998 6.0058 6.9021 6.9053 7.0328 7.0371 7.1605 7.1659 8.0199 8.0272 8.4862 8.4996 8.5892 8.6042 8.8198 8.8582 8.9661 9.0022 k = 0.4394 0.2555 0.2848 ( 8864 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2058 -9.2057 -8.1742 -8.1741 -7.1159 -7.1157 -6.8340 -6.8339 -6.7269 -6.7269 -6.5442 -6.5441 -3.9736 -3.9734 -2.1464 -2.1460 0.2579 0.2594 0.5413 0.5444 0.8626 0.8724 1.4169 1.4332 1.7990 1.8073 2.3235 2.3597 2.4256 2.4459 2.5787 2.6125 2.8729 2.9022 2.9854 3.0373 3.0960 3.1487 3.1944 3.2736 3.5705 3.6325 3.6709 3.7187 3.9374 3.9577 4.0599 4.0975 4.2363 4.2709 4.3830 4.4303 4.6360 4.6695 4.8602 4.8883 5.7637 5.7790 5.9921 5.9992 6.9015 6.9055 7.0375 7.0430 7.1639 7.1709 8.0251 8.0345 8.4732 8.4872 8.6013 8.6173 8.8181 8.8621 8.9738 9.0160 k = 0.4242 0.2467 0.2749 ( 8866 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2118 -9.2118 -8.1752 -8.1751 -7.1069 -7.1067 -6.8265 -6.8264 -6.7244 -6.7244 -6.5424 -6.5422 -3.9872 -3.9870 -2.1527 -2.1523 0.2546 0.2565 0.5378 0.5417 0.8452 0.8570 1.4023 1.4213 1.7899 1.7999 2.3358 2.3781 2.4296 2.4559 2.5865 2.6306 2.8695 2.9050 2.9864 3.0501 3.1052 3.1528 3.2058 3.2905 3.5586 3.6237 3.6700 3.7177 3.9486 3.9627 4.0623 4.0996 4.2288 4.2623 4.3862 4.4302 4.6400 4.6738 4.8690 4.8998 5.7518 5.7701 5.9841 5.9921 6.9010 6.9058 7.0434 7.0500 7.1681 7.1763 8.0320 8.0432 8.4625 8.4771 8.6108 8.6284 8.8190 8.8655 8.9840 9.0297 k = 0.4091 0.2379 0.2651 ( 8864 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2191 -9.2191 -8.1763 -8.1763 -7.0961 -7.0958 -6.8177 -6.8175 -6.7213 -6.7212 -6.5402 -6.5400 -4.0036 -4.0033 -2.1604 -2.1599 0.2503 0.2525 0.5338 0.5386 0.8258 0.8393 1.3866 1.4075 1.7784 1.7900 2.3461 2.3901 2.4357 2.4682 2.6000 2.6542 2.8698 2.9101 2.9873 3.0637 3.1181 3.1590 3.2209 3.3076 3.5480 3.6145 3.6682 3.7162 3.9384 3.9661 4.0765 4.1109 4.2182 4.2511 4.3955 4.4335 4.6447 4.6775 4.8785 4.9109 5.7375 5.7581 5.9768 5.9855 6.9008 6.9061 7.0503 7.0578 7.1726 7.1818 8.0402 8.0530 8.4545 8.4698 8.6174 8.6373 8.8222 8.8691 8.9953 9.0426 k = 0.3939 0.2291 0.2553 ( 8863 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2274 -9.2274 -8.1777 -8.1776 -7.0836 -7.0833 -6.8076 -6.8074 -6.7173 -6.7172 -6.5377 -6.5374 -4.0226 -4.0223 -2.1693 -2.1688 0.2450 0.2474 0.5294 0.5352 0.8052 0.8201 1.3700 1.3922 1.7642 1.7773 2.3536 2.3961 2.4421 2.4805 2.6196 2.6828 2.8752 2.9173 2.9899 3.0779 3.1337 3.1691 3.2383 3.3245 3.5388 3.6058 3.6654 3.7148 3.9152 3.9619 4.0974 4.1306 4.2058 4.2414 4.4084 4.4419 4.6488 4.6811 4.8882 4.9217 5.7206 5.7429 5.9706 5.9806 6.9009 6.9067 7.0578 7.0662 7.1770 7.1871 8.0497 8.0638 8.4495 8.4652 8.6216 8.6443 8.8267 8.8732 9.0062 9.0543 k = 0.3788 0.2202 0.2455 ( 8864 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2367 -9.2366 -8.1792 -8.1792 -7.0695 -7.0692 -6.7967 -6.7964 -6.7125 -6.7123 -6.5347 -6.5345 -4.0441 -4.0437 -2.1794 -2.1789 0.2385 0.2411 0.5249 0.5317 0.7840 0.8003 1.3529 1.3759 1.7473 1.7617 2.3587 2.3986 2.4475 2.4902 2.6438 2.7143 2.8868 2.9266 2.9960 3.0925 3.1516 3.1834 3.2575 3.3411 3.5305 3.5972 3.6620 3.7134 3.8877 3.9495 4.1179 4.1522 4.1952 4.2375 4.4232 4.4561 4.6512 4.6843 4.8976 4.9324 5.7014 5.7250 5.9657 5.9778 6.9016 6.9078 7.0657 7.0749 7.1812 7.1917 8.0603 8.0755 8.4473 8.4633 8.6242 8.6497 8.8316 8.8775 9.0160 9.0643 k = 0.3636 0.2114 0.2357 ( 8860 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2468 -9.2467 -8.1810 -8.1809 -7.0539 -7.0535 -6.7852 -6.7848 -6.7066 -6.7063 -6.5315 -6.5312 -4.0677 -4.0674 -2.1907 -2.1900 0.2305 0.2333 0.5204 0.5281 0.7631 0.7805 1.3352 1.3586 1.7276 1.7433 2.3618 2.3994 2.4514 2.4969 2.6688 2.7460 2.9048 2.9385 3.0072 3.1077 3.1716 3.2015 3.2785 3.3570 3.5224 3.5883 3.6594 3.7119 3.8606 3.9332 4.1267 4.1688 4.1928 4.2449 4.4399 4.4753 4.6513 4.6870 4.9069 4.9435 5.6803 5.7050 5.9622 5.9772 6.9030 6.9094 7.0736 7.0837 7.1846 7.1955 8.0719 8.0880 8.4480 8.4639 8.6259 8.6539 8.8359 8.8817 9.0243 9.0724 k = 0.3485 0.2026 0.2258 ( 8857 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2576 -9.2575 -8.1828 -8.1827 -7.0369 -7.0366 -6.7735 -6.7731 -6.6993 -6.6990 -6.5279 -6.5275 -4.0934 -4.0930 -2.2029 -2.2022 0.2210 0.2238 0.5159 0.5246 0.7431 0.7615 1.3172 1.3407 1.7053 1.7221 2.3635 2.3996 2.4543 2.5013 2.6910 2.7753 2.9272 2.9551 3.0236 3.1240 3.1924 3.2233 3.3012 3.3714 3.5132 3.5781 3.6590 3.7106 3.8375 3.9170 4.1215 4.1673 4.2102 4.2626 4.4594 4.4987 4.6494 4.6889 4.9161 4.9556 5.6582 5.6838 5.9603 5.9784 6.9053 6.9118 7.0813 7.0921 7.1871 7.1982 8.0844 8.1013 8.4512 8.4668 8.6275 8.6571 8.8390 8.8852 9.0308 9.0787 k = 0.3333 0.1938 0.2160 ( 8856 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2689 -9.2689 -8.1848 -8.1847 -7.0188 -7.0184 -6.7622 -6.7617 -6.6904 -6.6900 -6.5240 -6.5236 -4.1210 -4.1205 -2.2161 -2.2154 0.2098 0.2127 0.5117 0.5211 0.7246 0.7439 1.2990 1.3224 1.6806 1.6984 2.3646 2.3996 2.4563 2.5045 2.7086 2.7996 2.9501 2.9796 3.0445 3.1414 3.2122 3.2486 3.3252 3.3833 3.5023 3.5666 3.6618 3.7106 3.8221 3.9040 4.1103 4.1570 4.2336 4.2830 4.4819 4.5247 4.6465 4.6903 4.9250 4.9691 5.6358 5.6625 5.9596 5.9808 6.9086 6.9151 7.0885 7.1001 7.1886 7.1995 8.0976 8.1152 8.4567 8.4718 8.6291 8.6597 8.8403 8.8872 9.0358 9.0833 k = 0.3182 0.1850 0.2062 ( 8855 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2808 -9.2807 -8.1869 -8.1868 -6.9996 -6.9992 -6.7516 -6.7510 -6.6796 -6.6792 -6.5198 -6.5194 -4.1500 -4.1496 -2.2301 -2.2293 0.1969 0.1998 0.5077 0.5178 0.7079 0.7279 1.2807 1.3039 1.6536 1.6724 2.3655 2.3997 2.4577 2.5072 2.7215 2.8178 2.9727 3.0106 3.0683 3.1594 3.2301 3.2749 3.3485 3.3925 3.4903 3.5550 3.6682 3.7142 3.8163 3.8964 4.0975 4.1450 4.2535 4.3010 4.5071 4.5510 4.6449 4.6921 4.9339 4.9840 5.6142 5.6421 5.9600 5.9838 6.9129 6.9194 7.0950 7.1074 7.1887 7.1996 8.1116 8.1298 8.4640 8.4788 8.6310 8.6618 8.8396 8.8874 9.0396 9.0861 k = 0.3030 0.1762 0.1964 ( 8856 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.2929 -9.2929 -8.1891 -8.1890 -6.9795 -6.9791 -6.7421 -6.7414 -6.6668 -6.6664 -6.5153 -6.5149 -4.1804 -4.1800 -2.2448 -2.2440 0.1824 0.1852 0.5041 0.5146 0.6933 0.7140 1.2626 1.2854 1.6249 1.6444 2.3667 2.4004 2.4588 2.5096 2.7305 2.8298 2.9957 3.0440 3.0928 3.1771 3.2453 3.2971 3.3633 3.4059 3.4803 3.5470 3.6781 3.7217 3.8210 3.8962 4.0850 4.1329 4.2676 4.3147 4.5330 4.5728 4.6489 4.6971 4.9426 5.0003 5.5943 5.6238 5.9610 5.9869 6.9184 6.9246 7.1005 7.1137 7.1876 7.1982 8.1262 8.1450 8.4729 8.4875 8.6329 8.6636 8.8370 8.8857 9.0424 9.0873 k = 0.2879 0.1674 0.1866 ( 8860 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3053 -9.3053 -8.1913 -8.1912 -6.9587 -6.9583 -6.7335 -6.7328 -6.6522 -6.6518 -6.5106 -6.5102 -4.2119 -4.2114 -2.2600 -2.2592 0.1663 0.1690 0.5008 0.5115 0.6809 0.7020 1.2449 1.2674 1.5947 1.6150 2.3683 2.4019 2.4596 2.5122 2.7365 2.8368 3.0179 3.0770 3.1154 3.1926 3.2558 3.3054 3.3709 3.4286 3.4765 3.5470 3.6909 3.7311 3.8365 3.9043 4.0739 4.1217 4.2748 4.3233 4.5553 4.5852 4.6624 4.7105 4.9510 5.0178 5.5771 5.6083 5.9623 5.9898 6.9249 6.9308 7.1051 7.1189 7.1852 7.1955 8.1414 8.1609 8.4828 8.4977 8.6347 8.6649 8.8328 8.8820 9.0444 9.0867 k = 0.2727 0.1586 0.1767 ( 8855 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3177 -9.3177 -8.1936 -8.1935 -6.9374 -6.9370 -6.7260 -6.7252 -6.6362 -6.6358 -6.5056 -6.5052 -4.2442 -4.2437 -2.2757 -2.2749 0.1490 0.1516 0.4979 0.5085 0.6705 0.6919 1.2280 1.2502 1.5636 1.5845 2.3706 2.4043 2.4605 2.5152 2.7401 2.8402 3.0368 3.1071 3.1334 3.2031 3.2577 3.2976 3.3877 3.4499 3.4869 3.5556 3.7052 3.7402 3.8610 3.9201 4.0663 4.1130 4.2756 4.3271 4.5677 4.5926 4.6829 4.7364 4.9591 5.0361 5.5632 5.5965 5.9637 5.9920 6.9323 6.9378 7.1085 7.1230 7.1814 7.1917 8.1573 8.1774 8.4934 8.5092 8.6359 8.6657 8.8274 8.8766 9.0454 9.0841 k = 0.2576 0.1498 0.1669 ( 8854 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3301 -9.3301 -8.1959 -8.1958 -6.9156 -6.9152 -6.7191 -6.7183 -6.6192 -6.6188 -6.5004 -6.4999 -4.2770 -4.2765 -2.2916 -2.2908 0.1308 0.1331 0.4952 0.5056 0.6618 0.6832 1.2123 1.2343 1.5319 1.5534 2.3737 2.4077 2.4616 2.5185 2.7420 2.8409 3.0484 3.1271 3.1490 3.2041 3.2499 3.2926 3.4130 3.4684 3.5106 3.5709 3.7190 3.7485 3.8900 3.9388 4.0658 4.1094 4.2709 4.3266 4.5702 4.5990 4.7090 4.7720 4.9670 5.0546 5.5535 5.5888 5.9649 5.9934 6.9405 6.9455 7.1106 7.1258 7.1765 7.1867 8.1738 8.1944 8.5042 8.5213 8.6365 8.6658 8.8214 8.8701 9.0452 9.0792 k = 0.2424 0.1410 0.1571 ( 8856 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3424 -9.3424 -8.1982 -8.1981 -6.8937 -6.8933 -6.7128 -6.7120 -6.6016 -6.6012 -6.4949 -6.4944 -4.3100 -4.3095 -2.3077 -2.3070 0.1118 0.1140 0.4929 0.5029 0.6544 0.6758 1.1980 1.2199 1.5002 1.5222 2.3776 2.4120 2.4632 2.5223 2.7426 2.8393 3.0472 3.1231 3.1691 3.1965 3.2461 3.2974 3.4432 3.4908 3.5377 3.5912 3.7314 3.7565 3.9156 3.9521 4.0771 4.1151 4.2626 4.3239 4.5703 4.6032 4.7397 4.8119 4.9749 5.0731 5.5485 5.5856 5.9658 5.9940 6.9491 6.9537 7.1116 7.1273 7.1706 7.1809 8.1909 8.2120 8.5144 8.5333 8.6361 8.6650 8.8155 8.8628 9.0429 9.0715 k = 0.2273 0.1321 0.1473 ( 8855 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3544 -9.3544 -8.2004 -8.2003 -6.8719 -6.8715 -6.7069 -6.7061 -6.5838 -6.5835 -6.4892 -6.4886 -4.3431 -4.3426 -2.3238 -2.3230 0.0926 0.0946 0.4907 0.5002 0.6480 0.6690 1.1855 1.2074 1.4689 1.4915 2.3822 2.4171 2.4654 2.5266 2.7421 2.8358 3.0297 3.0972 3.1803 3.2036 3.2508 3.3070 3.4757 3.5174 3.5644 3.6156 3.7423 3.7651 3.9287 3.9556 4.0994 4.1322 4.2542 4.3224 4.5723 4.6074 4.7725 4.8524 4.9833 5.0913 5.5485 5.5868 5.9664 5.9936 6.9578 6.9622 7.1113 7.1275 7.1638 7.1744 8.2085 8.2301 8.5232 8.5442 8.6348 8.6632 8.8103 8.8553 9.0375 9.0608 k = 0.2121 0.1233 0.1375 ( 8859 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3661 -9.3661 -8.2026 -8.2025 -6.8502 -6.8498 -6.7012 -6.7004 -6.5663 -6.5660 -6.4832 -6.4825 -4.3758 -4.3753 -2.3397 -2.3390 0.0733 0.0752 0.4888 0.4977 0.6421 0.6627 1.1749 1.1970 1.4385 1.4617 2.3875 2.4227 2.4685 2.5313 2.7409 2.8302 2.9988 3.0586 3.1876 3.2222 3.2596 3.3180 3.5080 3.5460 3.5902 3.6437 3.7524 3.7751 3.9276 3.9509 4.1227 4.1521 4.2529 4.3272 4.5790 4.6147 4.8055 4.8910 4.9934 5.1088 5.5535 5.5925 5.9667 5.9925 6.9661 6.9706 7.1099 7.1265 7.1564 7.1676 8.2266 8.2486 8.5298 8.5532 8.6326 8.6604 8.8058 8.8477 9.0274 9.0473 k = 0.1970 0.1145 0.1276 ( 8856 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3773 -9.3773 -8.2047 -8.2047 -6.8290 -6.8286 -6.6958 -6.6950 -6.5495 -6.5491 -6.4768 -6.4760 -4.4080 -4.4075 -2.3553 -2.3546 0.0544 0.0561 0.4869 0.4952 0.6365 0.6563 1.1664 1.1888 1.4097 1.4335 2.3934 2.4284 2.4726 2.5364 2.7391 2.8222 2.9605 3.0162 3.1977 3.2397 3.2707 3.3289 3.5382 3.5738 3.6154 3.6742 3.7625 3.7867 3.9183 3.9395 4.1339 4.1619 4.2675 4.3417 4.5931 4.6287 4.8373 4.9246 5.0071 5.1257 5.5632 5.6023 5.9667 5.9907 6.9737 6.9786 7.1075 7.1244 7.1490 7.1605 8.2450 8.2672 8.5334 8.5594 8.6293 8.6560 8.8020 8.8401 9.0118 9.0317 k = 0.1818 0.1057 0.1178 ( 8853 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3881 -9.3880 -8.2068 -8.2067 -6.8085 -6.8081 -6.6905 -6.6897 -6.5337 -6.5332 -6.4699 -6.4691 -4.4393 -4.4388 -2.3705 -2.3698 0.0361 0.0377 0.4850 0.4927 0.6308 0.6497 1.1596 1.1825 1.3830 1.4073 2.3996 2.4339 2.4779 2.5416 2.7368 2.8110 2.9191 2.9748 3.2092 3.2544 3.2832 3.3391 3.5655 3.5988 3.6399 3.7043 3.7743 3.7998 3.9056 3.9234 4.1297 4.1606 4.2936 4.3618 4.6171 4.6527 4.8675 4.9500 5.0274 5.1420 5.5773 5.6157 5.9665 5.9884 6.9800 6.9857 7.1043 7.1212 7.1418 7.1536 8.2632 8.2856 8.5336 8.5624 8.6246 8.6494 8.7981 8.8319 8.9924 9.0147 k = 0.1667 0.0969 0.1080 ( 8849 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.3982 -9.3982 -8.2087 -8.2086 -6.7890 -6.7885 -6.6853 -6.6844 -6.5192 -6.5186 -6.4625 -6.4616 -4.4694 -4.4689 -2.3850 -2.3844 0.0186 0.0200 0.4831 0.4903 0.6250 0.6427 1.1544 1.1777 1.3592 1.3838 2.4059 2.4388 2.4842 2.5469 2.7339 2.7958 2.8776 2.9377 3.2212 3.2667 3.2966 3.3484 3.5894 3.6202 3.6626 3.7296 3.7899 3.8124 3.8913 3.9067 4.1185 4.1542 4.3187 4.3799 4.6509 4.6884 4.8964 4.9674 5.0543 5.1577 5.5949 5.6324 5.9663 5.9858 6.9846 6.9912 7.1008 7.1174 7.1354 7.1469 8.2809 8.3033 8.5307 8.5623 8.6174 8.6395 8.7929 8.8220 8.9737 8.9978 k = 0.1515 0.0881 0.0982 ( 8849 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4077 -9.4076 -8.2105 -8.2105 -6.7706 -6.7702 -6.6801 -6.6791 -6.5063 -6.5056 -6.4545 -6.4535 -4.4981 -4.4977 -2.3988 -2.3982 0.0021 0.0035 0.4812 0.4877 0.6191 0.6356 1.1502 1.1737 1.3390 1.3637 2.4120 2.4428 2.4913 2.5518 2.7300 2.7768 2.8380 2.9071 3.2333 3.2774 3.3097 3.3567 3.6096 3.6381 3.6820 3.7466 3.8057 3.8242 3.8722 3.8982 4.1084 4.1476 4.3362 4.3925 4.6916 4.7333 4.9249 4.9811 5.0846 5.1731 5.6150 5.6514 5.9663 5.9833 6.9870 6.9946 7.0973 7.1134 7.1297 7.1407 8.2971 8.3195 8.5251 8.5594 8.6063 8.6261 8.7853 8.8089 8.9603 8.9840 k = 0.1364 0.0793 0.0884 ( 8838 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4164 -9.4164 -8.2122 -8.2121 -6.7539 -6.7533 -6.6747 -6.6738 -6.4952 -6.4944 -6.4459 -6.4448 -4.5251 -4.5247 -2.4117 -2.4112 -0.0131 -0.0119 0.4791 0.4851 0.6132 0.6282 1.1464 1.1696 1.3233 1.3473 2.4174 2.4456 2.4985 2.5561 2.7224 2.7576 2.8017 2.8836 3.2457 3.2876 3.3220 3.3640 3.6255 3.6525 3.6977 3.7565 3.8060 3.8399 3.8536 3.8989 4.1046 4.1453 4.3457 4.3995 4.7334 4.7807 4.9548 4.9966 5.1157 5.1885 5.6366 5.6721 5.9665 5.9811 6.9869 6.9951 7.0943 7.1097 7.1250 7.1351 8.3110 8.3332 8.5171 8.5532 8.5905 8.6107 8.7753 8.7933 8.9546 8.9758 k = 0.1212 0.0705 0.0786 ( 8833 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4244 -9.4244 -8.2137 -8.2137 -6.7389 -6.7383 -6.6692 -6.6682 -6.4858 -6.4849 -6.4370 -6.4359 -4.5501 -4.5498 -2.4237 -2.4232 -0.0270 -0.0260 0.4770 0.4823 0.6074 0.6210 1.1424 1.1644 1.3126 1.3351 2.4216 2.4469 2.5054 2.5594 2.7061 2.7460 2.7698 2.8659 3.2583 3.2976 3.3333 3.3704 3.6358 3.6624 3.7103 3.7612 3.7975 3.8231 3.8691 3.9009 4.1094 4.1510 4.3488 4.4027 4.7702 4.8216 4.9877 5.0196 5.1465 5.2040 5.6587 5.6933 5.9672 5.9795 6.9842 6.9927 7.0921 7.1066 7.1211 7.1305 8.3216 8.3436 8.5057 8.5415 8.5712 8.5975 8.7639 8.7781 8.9554 8.9738 k = 0.1061 0.0617 0.0687 ( 8837 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4316 -9.4315 -8.2151 -8.2150 -6.7261 -6.7254 -6.6634 -6.6625 -6.4779 -6.4771 -6.4281 -6.4271 -4.5729 -4.5726 -2.4345 -2.4340 -0.0395 -0.0386 0.4747 0.4795 0.6020 0.6140 1.1379 1.1578 1.3071 1.3272 2.4238 2.4462 2.5115 2.5616 2.6846 2.7378 2.7478 2.8520 3.2713 3.3079 3.3433 3.3760 3.6388 3.6655 3.7209 3.7610 3.7884 3.8061 3.8846 3.9002 4.1218 4.1671 4.3475 4.4033 4.7978 4.8490 5.0246 5.0528 5.1770 5.2202 5.6802 5.7140 5.9683 5.9790 6.9792 6.9874 7.0904 7.1037 7.1185 7.1271 8.3279 8.3499 8.4882 8.5213 8.5551 8.5894 8.7528 8.7666 8.9599 8.9770 k = 0.0909 0.0529 0.0589 ( 8834 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4378 -9.4378 -8.2163 -8.2163 -6.7154 -6.7148 -6.6574 -6.6565 -6.4714 -6.4705 -6.4197 -6.4188 -4.5933 -4.5930 -2.4441 -2.4437 -0.0504 -0.0496 0.4725 0.4766 0.5972 0.6075 1.1328 1.1499 1.3060 1.3230 2.4236 2.4431 2.5167 2.5625 2.6653 2.7182 2.7462 2.8404 3.2849 3.3186 3.3520 3.3809 3.6331 3.6589 3.7302 3.7590 3.7792 3.8002 3.8887 3.9009 4.1400 4.1921 4.3432 4.4023 4.8155 4.8620 5.0639 5.0921 5.2080 5.2384 5.7002 5.7329 5.9700 5.9796 6.9723 6.9799 7.0891 7.1007 7.1173 7.1248 8.3292 8.3523 8.4636 8.4949 8.5474 8.5853 8.7444 8.7593 8.9661 8.9830 k = 0.0758 0.0440 0.0491 ( 8827 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4432 -9.4432 -8.2173 -8.2173 -6.7070 -6.7064 -6.6514 -6.6506 -6.4659 -6.4652 -6.4121 -6.4113 -4.6109 -4.6106 -2.4523 -2.4520 -0.0597 -0.0591 0.4703 0.4738 0.5930 0.6016 1.1275 1.1415 1.3081 1.3218 2.4209 2.4376 2.5212 2.5620 2.6514 2.7010 2.7496 2.8301 3.2988 3.3299 3.3594 3.3854 3.6197 3.6424 3.7380 3.7601 3.7730 3.8010 3.8837 3.9030 4.1622 4.2221 4.3367 4.3999 4.8255 4.8649 5.1010 5.1295 5.2396 5.2600 5.7179 5.7487 5.9724 5.9814 6.9644 6.9711 7.0878 7.0974 7.1175 7.1237 8.3257 8.3517 8.4352 8.4677 8.5460 8.5828 8.7400 8.7557 8.9725 8.9897 k = 0.0606 0.0352 0.0393 ( 8824 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4477 -9.4476 -8.2182 -8.2181 -6.7006 -6.7002 -6.6458 -6.6451 -6.4614 -6.4608 -6.4056 -6.4049 -4.6256 -4.6254 -2.4592 -2.4590 -0.0674 -0.0669 0.4683 0.4711 0.5897 0.5966 1.1224 1.1333 1.3120 1.3225 2.4162 2.4299 2.5256 2.5601 2.6438 2.6873 2.7549 2.8206 3.3129 3.3413 3.3657 3.3895 3.6014 3.6199 3.7440 3.7631 3.7724 3.8033 3.8777 3.9017 4.1866 4.2536 4.3285 4.3961 4.8303 4.8619 5.1322 5.1588 5.2714 5.2858 5.7332 5.7608 5.9757 5.9838 6.9563 6.9619 7.0866 7.0940 7.1185 7.1234 8.3189 8.3483 8.4082 8.4429 8.5479 8.5802 8.7396 8.7548 8.9787 8.9953 k = 0.0455 0.0264 0.0295 ( 8831 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4511 -9.4511 -8.2188 -8.2188 -6.6960 -6.6957 -6.6408 -6.6403 -6.4579 -6.4575 -6.4004 -6.3999 -4.6372 -4.6371 -2.4646 -2.4644 -0.0734 -0.0730 0.4667 0.4688 0.5873 0.5924 1.1181 1.1261 1.3166 1.3241 2.4109 2.4213 2.5302 2.5572 2.6416 2.6764 2.7616 2.8116 3.3264 3.3513 3.3716 3.3934 3.5817 3.5959 3.7488 3.7637 3.7777 3.8051 3.8736 3.8976 4.2112 4.2833 4.3193 4.3907 4.8322 4.8560 5.1560 5.1778 5.3017 5.3127 5.7457 5.7686 5.9795 5.9864 6.9489 6.9533 7.0855 7.0908 7.1198 7.1234 8.3114 8.3411 8.3880 8.4217 8.5514 8.5768 8.7423 8.7554 8.9843 8.9989 k = 0.0303 0.0176 0.0196 ( 8837 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4536 -9.4536 -8.2193 -8.2193 -6.6929 -6.6927 -6.6370 -6.6366 -6.4554 -6.4551 -6.3966 -6.3962 -4.6456 -4.6455 -2.4685 -2.4684 -0.0777 -0.0774 0.4655 0.4669 0.5858 0.5892 1.1151 1.1203 1.3208 1.3257 2.4063 2.4133 2.5351 2.5535 2.6432 2.6673 2.7692 2.8029 3.3386 3.3575 3.3789 3.3965 3.5643 3.5742 3.7529 3.7629 3.7851 3.8051 3.8725 3.8918 4.2345 4.3004 4.3180 4.3829 4.8333 4.8492 5.1731 5.1882 5.3275 5.3354 5.7558 5.7722 5.9834 5.9884 6.9431 6.9461 7.0847 7.0882 7.1211 7.1235 8.3058 8.3292 8.3784 8.4045 8.5555 8.5729 8.7466 8.7562 8.9893 9.0002 k = 0.0152 0.0088 0.0098 ( 8828 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4551 -9.4551 -8.2196 -8.2196 -6.6911 -6.6910 -6.6345 -6.6344 -6.4538 -6.4536 -6.3942 -6.3940 -4.6507 -4.6506 -2.4709 -2.4708 -0.0802 -0.0801 0.4648 0.4656 0.5852 0.5869 1.1136 1.1162 1.3241 1.3265 2.4037 2.4073 2.5400 2.5494 2.6473 2.6596 2.7774 2.7943 3.3484 3.3585 3.3876 3.3975 3.5529 3.5581 3.7563 3.7614 3.7922 3.8027 3.8746 3.8854 4.2557 4.2900 4.3382 4.3719 4.8350 4.8430 5.1844 5.1921 5.3455 5.3497 5.7635 5.7721 5.9867 5.9894 6.9396 6.9411 7.0845 7.0862 7.1222 7.1234 8.3043 8.3168 8.3774 8.3912 8.5598 8.5686 8.7510 8.7561 8.9935 8.9994 k = 0.0000 0.0000 0.0000 ( 8817 PWs) bands (ev): -57.8021 -57.8021 -32.2008 -32.2008 -31.3879 -31.3879 -31.3565 -31.3565 -9.4556 -9.4556 -8.2197 -8.2197 -6.6905 -6.6905 -6.6337 -6.6337 -6.4532 -6.4532 -6.3934 -6.3934 -4.6524 -4.6524 -2.4716 -2.4716 -0.0810 -0.0810 0.4649 0.4649 0.5856 0.5856 1.1139 1.1139 1.3260 1.3260 2.4040 2.4040 2.5448 2.5448 2.6529 2.6529 2.7858 2.7858 3.3552 3.3552 3.3946 3.3946 3.5505 3.5505 3.7592 3.7592 3.7983 3.7983 3.8793 3.8793 4.2743 4.2743 4.3571 4.3571 4.8381 4.8381 5.1907 5.1907 5.3532 5.3532 5.7691 5.7691 5.9888 5.9888 6.9389 6.9389 7.0850 7.0850 7.1230 7.1230 8.3079 8.3079 8.3821 8.3821 8.5641 8.5641 8.7544 8.7544 8.9970 8.9970 Writing output data file VAgxPSe3x2.save init_run : 2.65s CPU 2.02s WALL ( 1 calls) electrons : 676.92s CPU 578.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.01s WALL ( 1 calls) potinit : 0.14s CPU 0.19s WALL ( 1 calls) Called by electrons: c_bands : 676.91s CPU 578.79s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.03s WALL ( 1 calls) v_h : 0.01s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.02s WALL ( 1 calls) newd : 0.77s CPU 0.46s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.50s CPU 0.55s WALL ( 278 calls) cegterg : 593.56s CPU 531.59s WALL ( 642 calls) Called by sum_band: Called by *egterg: h_psi : 396.49s CPU 309.61s WALL ( 10684 calls) s_psi : 17.27s CPU 14.74s WALL ( 10684 calls) g_psi : 0.53s CPU 0.44s WALL ( 9764 calls) cdiaghg : 194.88s CPU 190.45s WALL ( 10042 calls) cegterg:over : 23.15s CPU 22.54s WALL ( 9764 calls) cegterg:upda : 15.96s CPU 16.15s WALL ( 9764 calls) cegterg:last : 9.36s CPU 9.38s WALL ( 1476 calls) cdiaghg:chol : 8.51s CPU 8.32s WALL ( 10042 calls) cdiaghg:inve : 5.40s CPU 5.64s WALL ( 10042 calls) cdiaghg:para : 10.74s CPU 11.17s WALL ( 20084 calls) Called by h_psi: h_psi:vloc : 354.60s CPU 273.16s WALL ( 10684 calls) h_psi:vnl : 41.27s CPU 35.92s WALL ( 10684 calls) add_vuspsi : 21.78s CPU 18.40s WALL ( 10684 calls) General routines calbec : 19.43s CPU 17.48s WALL ( 10684 calls) fft : 0.12s CPU 0.09s WALL ( 19 calls) ffts : 0.04s CPU 0.02s WALL ( 4 calls) fftw : 333.80s CPU 254.16s WALL ( 1419096 calls) interpolate : 0.05s CPU 0.03s WALL ( 4 calls) davcio : 0.26s CPU 1.32s WALL ( 556 calls) Parallel routines fft_scatter : 170.79s CPU 151.78s WALL ( 1419119 calls) PWSCF : 12m 9.32s CPU 10m50.53s WALL This run was terminated on: 13:27: 7 15Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=