Program PWSCF v.5.1.1 starts on 25Nov2015 at 22:17:47 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./KIO3.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 58 39 11 2103 1135 169 Max 59 40 12 2108 1154 172 Sum 2819 1883 533 101097 55013 8207 bravais-lattice index = 14 lattice parameter (alat) = 11.1305 a.u. unit-cell volume = 1027.2404 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 54.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.130486 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.463296 celldm(5)= 0.463296 celldm(6)= 0.463296 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.463296 0.886204 0.000000 ) a(3) = ( 0.463296 0.280582 0.840613 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.522787 -0.376643 ) b(2) = ( 0.000000 1.128409 -0.376643 ) b(3) = ( 0.000000 0.000000 1.189608 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for K read from file: /home/autes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for I read from file: /home/autes/Pseudo/I_MT_PBE_v_3_oleg_edit.UPF MD5 check sum: 1ab4f4b5fa7db8de97d041ab18f0a614 Pseudo is Norm-conserving, Zval = 7.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1247 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) K 9.00 39.09830 K( 1.00) I 7.00 126.90450 I( 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: E 1 -E -1 Cartesian axes number of k points= 240 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041667 k( 2) = ( 0.0156250 -0.0081686 -0.0058851), wk = 0.0041667 k( 3) = ( 0.0312500 -0.0163371 -0.0117701), wk = 0.0041667 k( 4) = ( 0.0468750 -0.0245057 -0.0176552), wk = 0.0041667 k( 5) = ( 0.0625000 -0.0326742 -0.0235402), wk = 0.0041667 k( 6) = ( 0.0781250 -0.0408428 -0.0294253), wk = 0.0041667 k( 7) = ( 0.0937500 -0.0490113 -0.0353103), wk = 0.0041667 k( 8) = ( 0.1093750 -0.0571799 -0.0411954), wk = 0.0041667 k( 9) = ( 0.1250000 -0.0653484 -0.0470804), wk = 0.0041667 k( 10) = ( 0.1406250 -0.0735170 -0.0529655), wk = 0.0041667 k( 11) = ( 0.1562500 -0.0816855 -0.0588505), wk = 0.0041667 k( 12) = ( 0.1718750 -0.0898541 -0.0647356), wk = 0.0041667 k( 13) = ( 0.1875000 -0.0980226 -0.0706206), wk = 0.0041667 k( 14) = ( 0.2031250 -0.1061912 -0.0765057), wk = 0.0041667 k( 15) = ( 0.2187500 -0.1143597 -0.0823907), wk = 0.0041667 k( 16) = ( 0.2343750 -0.1225283 -0.0882758), wk = 0.0041667 k( 17) = ( 0.2500000 -0.1306968 -0.0941608), wk = 0.0041667 k( 18) = ( 0.2656250 -0.1388654 -0.1000459), wk = 0.0041667 k( 19) = ( 0.2812500 -0.1470339 -0.1059309), wk = 0.0041667 k( 20) = ( 0.2968750 -0.1552025 -0.1118160), wk = 0.0041667 k( 21) = ( 0.3125000 -0.1633711 -0.1177010), wk = 0.0041667 k( 22) = ( 0.3281250 -0.1715396 -0.1235861), wk = 0.0041667 k( 23) = ( 0.3437500 -0.1797082 -0.1294711), wk = 0.0041667 k( 24) = ( 0.3593750 -0.1878767 -0.1353562), wk = 0.0041667 k( 25) = ( 0.3750000 -0.1960453 -0.1412412), wk = 0.0041667 k( 26) = ( 0.3906250 -0.2042138 -0.1471263), wk = 0.0041667 k( 27) = ( 0.4062500 -0.2123824 -0.1530113), wk = 0.0041667 k( 28) = ( 0.4218750 -0.2205509 -0.1588964), wk = 0.0041667 k( 29) = ( 0.4375000 -0.2287195 -0.1647814), wk = 0.0041667 k( 30) = ( 0.4531250 -0.2368880 -0.1706665), wk = 0.0041667 k( 31) = ( 0.4687500 -0.2450566 -0.1765515), wk = 0.0041667 k( 32) = ( 0.4843750 -0.2532251 -0.1824366), wk = 0.0041667 k( 33) = ( 0.5000000 -0.2613937 -0.1883216), wk = 0.0041667 k( 34) = ( 0.5000000 -0.2613937 -0.1883216), wk = 0.0041667 k( 35) = ( 0.5000000 -0.2505473 -0.2033765), wk = 0.0041667 k( 36) = ( 0.5000000 -0.2397010 -0.2184314), wk = 0.0041667 k( 37) = ( 0.5000000 -0.2288547 -0.2334863), wk = 0.0041667 k( 38) = ( 0.5000000 -0.2180083 -0.2485412), wk = 0.0041667 k( 39) = ( 0.5000000 -0.2071620 -0.2635961), wk = 0.0041667 k( 40) = ( 0.5000000 -0.1963157 -0.2786510), wk = 0.0041667 k( 41) = ( 0.5000000 -0.1854693 -0.2937059), wk = 0.0041667 k( 42) = ( 0.5000000 -0.1746230 -0.3087608), wk = 0.0041667 k( 43) = ( 0.5000000 -0.1637767 -0.3238157), wk = 0.0041667 k( 44) = ( 0.5000000 -0.1529303 -0.3388706), wk = 0.0041667 k( 45) = ( 0.5000000 -0.1420840 -0.3539255), wk = 0.0041667 k( 46) = ( 0.5000000 -0.1312377 -0.3689804), wk = 0.0041667 k( 47) = ( 0.5000000 -0.1203913 -0.3840353), wk = 0.0041667 k( 48) = ( 0.5000000 -0.1095450 -0.3990902), wk = 0.0041667 k( 49) = ( 0.5000000 -0.0986987 -0.4141451), wk = 0.0041667 k( 50) = ( 0.5000000 -0.0878523 -0.4292000), wk = 0.0041667 k( 51) = ( 0.5000000 -0.0770060 -0.4442549), wk = 0.0041667 k( 52) = ( 0.5000000 -0.0661597 -0.4593098), wk = 0.0041667 k( 53) = ( 0.5000000 -0.0553133 -0.4743647), wk = 0.0041667 k( 54) = ( 0.5000000 -0.0444670 -0.4894196), wk = 0.0041667 k( 55) = ( 0.5000000 -0.0336207 -0.5044745), wk = 0.0041667 k( 56) = ( 0.5000000 -0.0227743 -0.5195294), wk = 0.0041667 k( 57) = ( 0.5000000 -0.0119280 -0.5345843), wk = 0.0041667 k( 58) = ( 0.5000000 -0.0010817 -0.5496392), wk = 0.0041667 k( 59) = ( 0.5000000 0.0097647 -0.5646941), wk = 0.0041667 k( 60) = ( 0.5000000 0.0206110 -0.5797490), wk = 0.0041667 k( 61) = ( 0.5000000 0.0314573 -0.5948039), wk = 0.0041667 k( 62) = ( 0.7404744 0.1770938 -0.1584826), wk = 0.0041667 k( 63) = ( 0.7308554 0.1821225 -0.1434169), wk = 0.0041667 k( 64) = ( 0.7212364 0.1871512 -0.1283511), wk = 0.0041667 k( 65) = ( 0.7116175 0.1921798 -0.1132854), wk = 0.0041667 k( 66) = ( 0.7019985 0.1972085 -0.0982197), wk = 0.0041667 k( 67) = ( 0.6923795 0.2022372 -0.0831539), wk = 0.0041667 k( 68) = ( 0.6827605 0.2072659 -0.0680882), wk = 0.0041667 k( 69) = ( 0.6731415 0.2122945 -0.0530225), wk = 0.0041667 k( 70) = ( 0.6635226 0.2173232 -0.0379568), wk = 0.0041667 k( 71) = ( 0.6539036 0.2223519 -0.0228910), wk = 0.0041667 k( 72) = ( 0.6442846 0.2273806 -0.0078253), wk = 0.0041667 k( 73) = ( 0.6346656 0.2324093 0.0072404), wk = 0.0041667 k( 74) = ( 0.6250467 0.2374379 0.0223062), wk = 0.0041667 k( 75) = ( 0.6154277 0.2424666 0.0373719), wk = 0.0041667 k( 76) = ( 0.6058087 0.2474953 0.0524376), wk = 0.0041667 k( 77) = ( 0.5961897 0.2525240 0.0675034), wk = 0.0041667 k( 78) = ( 0.5865708 0.2575527 0.0825691), wk = 0.0041667 k( 79) = ( 0.5769518 0.2625813 0.0976348), wk = 0.0041667 k( 80) = ( 0.5673328 0.2676100 0.1127005), wk = 0.0041667 k( 81) = ( 0.5577138 0.2726387 0.1277663), wk = 0.0041667 k( 82) = ( 0.5480949 0.2776674 0.1428320), wk = 0.0041667 k( 83) = ( 0.5384759 0.2826960 0.1578977), wk = 0.0041667 k( 84) = ( 0.5288569 0.2877247 0.1729635), wk = 0.0041667 k( 85) = ( 0.5192379 0.2927534 0.1880292), wk = 0.0041667 k( 86) = ( 0.5096190 0.2977821 0.2030949), wk = 0.0041667 k( 87) = ( 0.5000000 0.3028108 0.2181607), wk = 0.0041667 k( 88) = ( 0.5000000 0.3028108 0.2181607), wk = 0.0041667 k( 89) = ( 0.4852941 0.2939046 0.2117442), wk = 0.0041667 k( 90) = ( 0.4705882 0.2849984 0.2053277), wk = 0.0041667 k( 91) = ( 0.4558823 0.2760922 0.1989112), wk = 0.0041667 k( 92) = ( 0.4411765 0.2671860 0.1924947), wk = 0.0041667 k( 93) = ( 0.4264706 0.2582798 0.1860782), wk = 0.0041667 k( 94) = ( 0.4117647 0.2493736 0.1796617), wk = 0.0041667 k( 95) = ( 0.3970588 0.2404674 0.1732452), wk = 0.0041667 k( 96) = ( 0.3823529 0.2315612 0.1668287), wk = 0.0041667 k( 97) = ( 0.3676471 0.2226550 0.1604122), wk = 0.0041667 k( 98) = ( 0.3529412 0.2137488 0.1539958), wk = 0.0041667 k( 99) = ( 0.3382353 0.2048426 0.1475793), wk = 0.0041667 k( 100) = ( 0.3235294 0.1959364 0.1411628), wk = 0.0041667 k( 101) = ( 0.3088235 0.1870302 0.1347463), wk = 0.0041667 k( 102) = ( 0.2941177 0.1781240 0.1283298), wk = 0.0041667 k( 103) = ( 0.2794118 0.1692178 0.1219133), wk = 0.0041667 k( 104) = ( 0.2647059 0.1603116 0.1154968), wk = 0.0041667 k( 105) = ( 0.2500000 0.1514054 0.1090803), wk = 0.0041667 k( 106) = ( 0.2352941 0.1424992 0.1026638), wk = 0.0041667 k( 107) = ( 0.2205882 0.1335930 0.0962473), wk = 0.0041667 k( 108) = ( 0.2058823 0.1246868 0.0898309), wk = 0.0041667 k( 109) = ( 0.1911765 0.1157806 0.0834144), wk = 0.0041667 k( 110) = ( 0.1764706 0.1068744 0.0769979), wk = 0.0041667 k( 111) = ( 0.1617647 0.0979682 0.0705814), wk = 0.0041667 k( 112) = ( 0.1470588 0.0890620 0.0641649), wk = 0.0041667 k( 113) = ( 0.1323529 0.0801558 0.0577484), wk = 0.0041667 k( 114) = ( 0.1176471 0.0712496 0.0513319), wk = 0.0041667 k( 115) = ( 0.1029412 0.0623434 0.0449154), wk = 0.0041667 k( 116) = ( 0.0882353 0.0534372 0.0384989), wk = 0.0041667 k( 117) = ( 0.0735294 0.0445310 0.0320824), wk = 0.0041667 k( 118) = ( 0.0588235 0.0356248 0.0256660), wk = 0.0041667 k( 119) = ( 0.0441177 0.0267186 0.0192495), wk = 0.0041667 k( 120) = ( 0.0294118 0.0178124 0.0128330), wk = 0.0041667 k( 121) = ( 0.0147059 0.0089062 0.0064165), wk = 0.0041667 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041667 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041667 k( 124) = ( 0.0094941 -0.0049634 -0.0148701), wk = 0.0041667 k( 125) = ( 0.0189881 -0.0099268 -0.0297402), wk = 0.0041667 k( 126) = ( 0.0284822 -0.0148901 -0.0446103), wk = 0.0041667 k( 127) = ( 0.0379763 -0.0198535 -0.0594804), wk = 0.0041667 k( 128) = ( 0.0474704 -0.0248169 -0.0743505), wk = 0.0041667 k( 129) = ( 0.0569644 -0.0297803 -0.0892206), wk = 0.0041667 k( 130) = ( 0.0664585 -0.0347437 -0.1040907), wk = 0.0041667 k( 131) = ( 0.0759526 -0.0397070 -0.1189608), wk = 0.0041667 k( 132) = ( 0.0854466 -0.0446704 -0.1338309), wk = 0.0041667 k( 133) = ( 0.0949407 -0.0496338 -0.1487010), wk = 0.0041667 k( 134) = ( 0.1044348 -0.0545972 -0.1635711), wk = 0.0041667 k( 135) = ( 0.1139288 -0.0595606 -0.1784412), wk = 0.0041667 k( 136) = ( 0.1234229 -0.0645239 -0.1933113), wk = 0.0041667 k( 137) = ( 0.1329170 -0.0694873 -0.2081814), wk = 0.0041667 k( 138) = ( 0.1424111 -0.0744507 -0.2230515), wk = 0.0041667 k( 139) = ( 0.1519051 -0.0794141 -0.2379216), wk = 0.0041667 k( 140) = ( 0.1613992 -0.0843775 -0.2527917), wk = 0.0041667 k( 141) = ( 0.1708933 -0.0893408 -0.2676618), wk = 0.0041667 k( 142) = ( 0.1803873 -0.0943042 -0.2825319), wk = 0.0041667 k( 143) = ( 0.1898814 -0.0992676 -0.2974019), wk = 0.0041667 k( 144) = ( 0.1993755 -0.1042310 -0.3122721), wk = 0.0041667 k( 145) = ( 0.2088695 -0.1091944 -0.3271422), wk = 0.0041667 k( 146) = ( 0.2183636 -0.1141577 -0.3420123), wk = 0.0041667 k( 147) = ( 0.2278577 -0.1191211 -0.3568824), wk = 0.0041667 k( 148) = ( 0.2373518 -0.1240845 -0.3717525), wk = 0.0041667 k( 149) = ( 0.2468458 -0.1290479 -0.3866225), wk = 0.0041667 k( 150) = ( 0.2563399 -0.1340113 -0.4014926), wk = 0.0041667 k( 151) = ( 0.2658340 -0.1389746 -0.4163627), wk = 0.0041667 k( 152) = ( 0.2753280 -0.1439380 -0.4312328), wk = 0.0041667 k( 153) = ( 0.2848221 -0.1489014 -0.4461029), wk = 0.0041667 k( 154) = ( 0.2943162 -0.1538648 -0.4609730), wk = 0.0041667 k( 155) = ( 0.3038103 -0.1588282 -0.4758431), wk = 0.0041667 k( 156) = ( 0.3133043 -0.1637915 -0.4907132), wk = 0.0041667 k( 157) = ( 0.3227984 -0.1687549 -0.5055833), wk = 0.0041667 k( 158) = ( 0.3322925 -0.1737183 -0.5204534), wk = 0.0041667 k( 159) = ( 0.3417865 -0.1786817 -0.5353235), wk = 0.0041667 k( 160) = ( 0.3512806 -0.1836451 -0.5501936), wk = 0.0041667 k( 161) = ( 0.3607747 -0.1886084 -0.5650637), wk = 0.0041667 k( 162) = ( 0.3702687 -0.1935718 -0.5799338), wk = 0.0041667 k( 163) = ( 0.3797628 -0.1985352 -0.5948039), wk = 0.0041667 k( 164) = ( 0.6202372 0.1042756 -0.3766433), wk = 0.0041667 k( 165) = ( 0.6109882 0.1195475 -0.3766433), wk = 0.0041667 k( 166) = ( 0.6017392 0.1348194 -0.3766433), wk = 0.0041667 k( 167) = ( 0.5924902 0.1500914 -0.3766433), wk = 0.0041667 k( 168) = ( 0.5832411 0.1653633 -0.3766433), wk = 0.0041667 k( 169) = ( 0.5739921 0.1806353 -0.3766433), wk = 0.0041667 k( 170) = ( 0.5647431 0.1959072 -0.3766433), wk = 0.0041667 k( 171) = ( 0.5554941 0.2111791 -0.3766433), wk = 0.0041667 k( 172) = ( 0.5462451 0.2264511 -0.3766433), wk = 0.0041667 k( 173) = ( 0.5369961 0.2417230 -0.3766433), wk = 0.0041667 k( 174) = ( 0.5277470 0.2569950 -0.3766433), wk = 0.0041667 k( 175) = ( 0.5184980 0.2722669 -0.3766433), wk = 0.0041667 k( 176) = ( 0.5092490 0.2875388 -0.3766433), wk = 0.0041667 k( 177) = ( 0.5000000 0.3028108 -0.3766433), wk = 0.0041667 k( 178) = ( 0.5000000 0.3028108 -0.3766433), wk = 0.0041667 k( 179) = ( 0.5085884 0.3080121 -0.3610604), wk = 0.0041667 k( 180) = ( 0.5171767 0.3132134 -0.3454774), wk = 0.0041667 k( 181) = ( 0.5257651 0.3184147 -0.3298945), wk = 0.0041667 k( 182) = ( 0.5343535 0.3236160 -0.3143116), wk = 0.0041667 k( 183) = ( 0.5429418 0.3288173 -0.2987287), wk = 0.0041667 k( 184) = ( 0.5515302 0.3340186 -0.2831458), wk = 0.0041667 k( 185) = ( 0.5601186 0.3392199 -0.2675629), wk = 0.0041667 k( 186) = ( 0.5687070 0.3444212 -0.2519800), wk = 0.0041667 k( 187) = ( 0.5772953 0.3496225 -0.2363971), wk = 0.0041667 k( 188) = ( 0.5858837 0.3548238 -0.2208142), wk = 0.0041667 k( 189) = ( 0.5944721 0.3600251 -0.2052313), wk = 0.0041667 k( 190) = ( 0.6030604 0.3652264 -0.1896484), wk = 0.0041667 k( 191) = ( 0.6116488 0.3704277 -0.1740655), wk = 0.0041667 k( 192) = ( 0.6202372 0.3756290 -0.1584826), wk = 0.0041667 k( 193) = ( 0.6202372 0.3756290 -0.1584826), wk = 0.0041667 k( 194) = ( 0.6147719 0.3723191 -0.1413625), wk = 0.0041667 k( 195) = ( 0.6093065 0.3690092 -0.1242423), wk = 0.0041667 k( 196) = ( 0.6038412 0.3656992 -0.1071222), wk = 0.0041667 k( 197) = ( 0.5983759 0.3623893 -0.0900020), wk = 0.0041667 k( 198) = ( 0.5929106 0.3590794 -0.0728819), wk = 0.0041667 k( 199) = ( 0.5874452 0.3557695 -0.0557617), wk = 0.0041667 k( 200) = ( 0.5819799 0.3524596 -0.0386416), wk = 0.0041667 k( 201) = ( 0.5765146 0.3491496 -0.0215214), wk = 0.0041667 k( 202) = ( 0.5710492 0.3458397 -0.0044013), wk = 0.0041667 k( 203) = ( 0.5655839 0.3425298 0.0127189), wk = 0.0041667 k( 204) = ( 0.5601186 0.3392199 0.0298390), wk = 0.0041667 k( 205) = ( 0.5546533 0.3359100 0.0469592), wk = 0.0041667 k( 206) = ( 0.5491879 0.3326000 0.0640793), wk = 0.0041667 k( 207) = ( 0.5437226 0.3292901 0.0811995), wk = 0.0041667 k( 208) = ( 0.5382573 0.3259802 0.0983196), wk = 0.0041667 k( 209) = ( 0.5327920 0.3226703 0.1154398), wk = 0.0041667 k( 210) = ( 0.5273266 0.3193604 0.1325599), wk = 0.0041667 k( 211) = ( 0.5218613 0.3160504 0.1496801), wk = 0.0041667 k( 212) = ( 0.5163960 0.3127405 0.1668002), wk = 0.0041667 k( 213) = ( 0.5109307 0.3094306 0.1839204), wk = 0.0041667 k( 214) = ( 0.5054653 0.3061207 0.2010405), wk = 0.0041667 k( 215) = ( 0.5000000 0.3028108 0.2181607), wk = 0.0041667 k( 216) = ( 0.5000000 -0.2613937 -0.1883216), wk = 0.0041667 k( 217) = ( 0.5100198 -0.2487766 -0.1792316), wk = 0.0041667 k( 218) = ( 0.5200395 -0.2361595 -0.1701416), wk = 0.0041667 k( 219) = ( 0.5300593 -0.2235423 -0.1610516), wk = 0.0041667 k( 220) = ( 0.5400791 -0.2109252 -0.1519615), wk = 0.0041667 k( 221) = ( 0.5500988 -0.1983081 -0.1428715), wk = 0.0041667 k( 222) = ( 0.5601186 -0.1856910 -0.1337815), wk = 0.0041667 k( 223) = ( 0.5701384 -0.1730739 -0.1246914), wk = 0.0041667 k( 224) = ( 0.5801581 -0.1604568 -0.1156014), wk = 0.0041667 k( 225) = ( 0.5901779 -0.1478396 -0.1065114), wk = 0.0041667 k( 226) = ( 0.6001977 -0.1352225 -0.0974214), wk = 0.0041667 k( 227) = ( 0.6102174 -0.1226054 -0.0883313), wk = 0.0041667 k( 228) = ( 0.6202372 -0.1099883 -0.0792413), wk = 0.0041667 k( 229) = ( 0.6302570 -0.0973712 -0.0701513), wk = 0.0041667 k( 230) = ( 0.6402767 -0.0847541 -0.0610612), wk = 0.0041667 k( 231) = ( 0.6502965 -0.0721370 -0.0519712), wk = 0.0041667 k( 232) = ( 0.6603163 -0.0595198 -0.0428812), wk = 0.0041667 k( 233) = ( 0.6703360 -0.0469027 -0.0337912), wk = 0.0041667 k( 234) = ( 0.6803558 -0.0342856 -0.0247011), wk = 0.0041667 k( 235) = ( 0.6903755 -0.0216685 -0.0156111), wk = 0.0041667 k( 236) = ( 0.7003953 -0.0090514 -0.0065211), wk = 0.0041667 k( 237) = ( 0.7104151 0.0035657 0.0025689), wk = 0.0041667 k( 238) = ( 0.7204348 0.0161829 0.0116590), wk = 0.0041667 k( 239) = ( 0.7304546 0.0288000 0.0207490), wk = 0.0041667 k( 240) = ( 0.7404744 0.0414171 0.0298390), wk = 0.0041667 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041667 k( 2) = ( 0.0156250 0.0000000 0.0000000), wk = 0.0041667 k( 3) = ( 0.0312500 0.0000000 0.0000000), wk = 0.0041667 k( 4) = ( 0.0468750 0.0000000 0.0000000), wk = 0.0041667 k( 5) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0041667 k( 6) = ( 0.0781250 0.0000000 0.0000000), wk = 0.0041667 k( 7) = ( 0.0937500 0.0000000 0.0000000), wk = 0.0041667 k( 8) = ( 0.1093750 0.0000000 0.0000000), wk = 0.0041667 k( 9) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0041667 k( 10) = ( 0.1406250 0.0000000 0.0000000), wk = 0.0041667 k( 11) = ( 0.1562500 0.0000000 0.0000000), wk = 0.0041667 k( 12) = ( 0.1718750 0.0000000 0.0000000), wk = 0.0041667 k( 13) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0041667 k( 14) = ( 0.2031250 0.0000000 0.0000000), wk = 0.0041667 k( 15) = ( 0.2187500 0.0000000 0.0000000), wk = 0.0041667 k( 16) = ( 0.2343750 0.0000000 0.0000000), wk = 0.0041667 k( 17) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0041667 k( 18) = ( 0.2656250 0.0000000 0.0000000), wk = 0.0041667 k( 19) = ( 0.2812500 0.0000000 0.0000000), wk = 0.0041667 k( 20) = ( 0.2968750 0.0000000 0.0000000), wk = 0.0041667 k( 21) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0041667 k( 22) = ( 0.3281250 0.0000000 0.0000000), wk = 0.0041667 k( 23) = ( 0.3437500 0.0000000 0.0000000), wk = 0.0041667 k( 24) = ( 0.3593750 0.0000000 0.0000000), wk = 0.0041667 k( 25) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0041667 k( 26) = ( 0.3906250 0.0000000 0.0000000), wk = 0.0041667 k( 27) = ( 0.4062500 0.0000000 0.0000000), wk = 0.0041667 k( 28) = ( 0.4218750 0.0000000 0.0000000), wk = 0.0041667 k( 29) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0041667 k( 30) = ( 0.4531250 0.0000000 0.0000000), wk = 0.0041667 k( 31) = ( 0.4687500 0.0000000 0.0000000), wk = 0.0041667 k( 32) = ( 0.4843750 0.0000000 0.0000000), wk = 0.0041667 k( 33) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0041667 k( 34) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0041667 k( 35) = ( 0.5000000 0.0096121 -0.0096121), wk = 0.0041667 k( 36) = ( 0.5000000 0.0192241 -0.0192241), wk = 0.0041667 k( 37) = ( 0.5000000 0.0288362 -0.0288362), wk = 0.0041667 k( 38) = ( 0.5000000 0.0384482 -0.0384482), wk = 0.0041667 k( 39) = ( 0.5000000 0.0480603 -0.0480603), wk = 0.0041667 k( 40) = ( 0.5000000 0.0576724 -0.0576724), wk = 0.0041667 k( 41) = ( 0.5000000 0.0672844 -0.0672844), wk = 0.0041667 k( 42) = ( 0.5000000 0.0768965 -0.0768965), wk = 0.0041667 k( 43) = ( 0.5000000 0.0865085 -0.0865085), wk = 0.0041667 k( 44) = ( 0.5000000 0.0961206 -0.0961206), wk = 0.0041667 k( 45) = ( 0.5000000 0.1057327 -0.1057327), wk = 0.0041667 k( 46) = ( 0.5000000 0.1153447 -0.1153447), wk = 0.0041667 k( 47) = ( 0.5000000 0.1249568 -0.1249568), wk = 0.0041667 k( 48) = ( 0.5000000 0.1345688 -0.1345688), wk = 0.0041667 k( 49) = ( 0.5000000 0.1441809 -0.1441809), wk = 0.0041667 k( 50) = ( 0.5000000 0.1537930 -0.1537930), wk = 0.0041667 k( 51) = ( 0.5000000 0.1634050 -0.1634050), wk = 0.0041667 k( 52) = ( 0.5000000 0.1730171 -0.1730171), wk = 0.0041667 k( 53) = ( 0.5000000 0.1826291 -0.1826291), wk = 0.0041667 k( 54) = ( 0.5000000 0.1922412 -0.1922412), wk = 0.0041667 k( 55) = ( 0.5000000 0.2018533 -0.2018533), wk = 0.0041667 k( 56) = ( 0.5000000 0.2114653 -0.2114653), wk = 0.0041667 k( 57) = ( 0.5000000 0.2210774 -0.2210774), wk = 0.0041667 k( 58) = ( 0.5000000 0.2306894 -0.2306894), wk = 0.0041667 k( 59) = ( 0.5000000 0.2403015 -0.2403015), wk = 0.0041667 k( 60) = ( 0.5000000 0.2499136 -0.2499136), wk = 0.0041667 k( 61) = ( 0.5000000 0.2595256 -0.2595256), wk = 0.0041667 k( 62) = ( 0.7404744 0.5000000 0.2595256), wk = 0.0041667 k( 63) = ( 0.7308554 0.5000000 0.2691446), wk = 0.0041667 k( 64) = ( 0.7212364 0.5000000 0.2787636), wk = 0.0041667 k( 65) = ( 0.7116175 0.5000000 0.2883825), wk = 0.0041667 k( 66) = ( 0.7019985 0.5000000 0.2980015), wk = 0.0041667 k( 67) = ( 0.6923795 0.5000000 0.3076205), wk = 0.0041667 k( 68) = ( 0.6827605 0.5000000 0.3172395), wk = 0.0041667 k( 69) = ( 0.6731415 0.5000000 0.3268585), wk = 0.0041667 k( 70) = ( 0.6635226 0.5000000 0.3364774), wk = 0.0041667 k( 71) = ( 0.6539036 0.5000000 0.3460964), wk = 0.0041667 k( 72) = ( 0.6442846 0.5000000 0.3557154), wk = 0.0041667 k( 73) = ( 0.6346656 0.5000000 0.3653344), wk = 0.0041667 k( 74) = ( 0.6250467 0.5000000 0.3749533), wk = 0.0041667 k( 75) = ( 0.6154277 0.5000000 0.3845723), wk = 0.0041667 k( 76) = ( 0.6058087 0.5000000 0.3941913), wk = 0.0041667 k( 77) = ( 0.5961897 0.5000000 0.4038102), wk = 0.0041667 k( 78) = ( 0.5865708 0.5000000 0.4134292), wk = 0.0041667 k( 79) = ( 0.5769518 0.5000000 0.4230482), wk = 0.0041667 k( 80) = ( 0.5673328 0.5000000 0.4326672), wk = 0.0041667 k( 81) = ( 0.5577138 0.5000000 0.4422862), wk = 0.0041667 k( 82) = ( 0.5480949 0.5000000 0.4519051), wk = 0.0041667 k( 83) = ( 0.5384759 0.5000000 0.4615241), wk = 0.0041667 k( 84) = ( 0.5288569 0.5000000 0.4711431), wk = 0.0041667 k( 85) = ( 0.5192379 0.5000000 0.4807620), wk = 0.0041667 k( 86) = ( 0.5096190 0.5000000 0.4903810), wk = 0.0041667 k( 87) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041667 k( 88) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041667 k( 89) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0041667 k( 90) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0041667 k( 91) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0041667 k( 92) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0041667 k( 93) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0041667 k( 94) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0041667 k( 95) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0041667 k( 96) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0041667 k( 97) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0041667 k( 98) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0041667 k( 99) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0041667 k( 100) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0041667 k( 101) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0041667 k( 102) = ( 0.2941177 0.2941176 0.2941177), wk = 0.0041667 k( 103) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0041667 k( 104) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0041667 k( 105) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0041667 k( 106) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0041667 k( 107) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0041667 k( 108) = ( 0.2058823 0.2058823 0.2058824), wk = 0.0041667 k( 109) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0041667 k( 110) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0041667 k( 111) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0041667 k( 112) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0041667 k( 113) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0041667 k( 114) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0041667 k( 115) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0041667 k( 116) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0041667 k( 117) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0041667 k( 118) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0041667 k( 119) = ( 0.0441177 0.0441177 0.0441177), wk = 0.0041667 k( 120) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0041667 k( 121) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0041667 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041667 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041667 k( 124) = ( 0.0094941 0.0000000 -0.0094941), wk = 0.0041667 k( 125) = ( 0.0189881 0.0000000 -0.0189881), wk = 0.0041667 k( 126) = ( 0.0284822 0.0000000 -0.0284822), wk = 0.0041667 k( 127) = ( 0.0379763 0.0000000 -0.0379763), wk = 0.0041667 k( 128) = ( 0.0474704 0.0000000 -0.0474704), wk = 0.0041667 k( 129) = ( 0.0569644 0.0000000 -0.0569644), wk = 0.0041667 k( 130) = ( 0.0664585 0.0000000 -0.0664585), wk = 0.0041667 k( 131) = ( 0.0759526 0.0000000 -0.0759526), wk = 0.0041667 k( 132) = ( 0.0854466 0.0000000 -0.0854466), wk = 0.0041667 k( 133) = ( 0.0949407 0.0000000 -0.0949407), wk = 0.0041667 k( 134) = ( 0.1044348 0.0000000 -0.1044348), wk = 0.0041667 k( 135) = ( 0.1139288 0.0000000 -0.1139288), wk = 0.0041667 k( 136) = ( 0.1234229 0.0000000 -0.1234229), wk = 0.0041667 k( 137) = ( 0.1329170 0.0000000 -0.1329170), wk = 0.0041667 k( 138) = ( 0.1424111 0.0000000 -0.1424110), wk = 0.0041667 k( 139) = ( 0.1519051 0.0000000 -0.1519051), wk = 0.0041667 k( 140) = ( 0.1613992 0.0000000 -0.1613992), wk = 0.0041667 k( 141) = ( 0.1708933 0.0000000 -0.1708933), wk = 0.0041667 k( 142) = ( 0.1803873 0.0000000 -0.1803873), wk = 0.0041667 k( 143) = ( 0.1898814 0.0000000 -0.1898814), wk = 0.0041667 k( 144) = ( 0.1993755 0.0000000 -0.1993755), wk = 0.0041667 k( 145) = ( 0.2088695 0.0000000 -0.2088695), wk = 0.0041667 k( 146) = ( 0.2183636 0.0000000 -0.2183636), wk = 0.0041667 k( 147) = ( 0.2278577 0.0000000 -0.2278577), wk = 0.0041667 k( 148) = ( 0.2373518 0.0000000 -0.2373518), wk = 0.0041667 k( 149) = ( 0.2468458 0.0000000 -0.2468458), wk = 0.0041667 k( 150) = ( 0.2563399 0.0000000 -0.2563399), wk = 0.0041667 k( 151) = ( 0.2658340 0.0000000 -0.2658340), wk = 0.0041667 k( 152) = ( 0.2753280 0.0000000 -0.2753280), wk = 0.0041667 k( 153) = ( 0.2848221 0.0000000 -0.2848221), wk = 0.0041667 k( 154) = ( 0.2943162 0.0000000 -0.2943162), wk = 0.0041667 k( 155) = ( 0.3038103 0.0000000 -0.3038102), wk = 0.0041667 k( 156) = ( 0.3133043 0.0000000 -0.3133043), wk = 0.0041667 k( 157) = ( 0.3227984 0.0000000 -0.3227984), wk = 0.0041667 k( 158) = ( 0.3322925 0.0000000 -0.3322925), wk = 0.0041667 k( 159) = ( 0.3417865 0.0000000 -0.3417865), wk = 0.0041667 k( 160) = ( 0.3512806 0.0000000 -0.3512806), wk = 0.0041667 k( 161) = ( 0.3607747 0.0000000 -0.3607747), wk = 0.0041667 k( 162) = ( 0.3702687 0.0000000 -0.3702687), wk = 0.0041667 k( 163) = ( 0.3797628 0.0000000 -0.3797628), wk = 0.0041667 k( 164) = ( 0.6202372 0.3797628 0.0000000), wk = 0.0041667 k( 165) = ( 0.6109882 0.3890118 0.0000000), wk = 0.0041667 k( 166) = ( 0.6017392 0.3982608 0.0000000), wk = 0.0041667 k( 167) = ( 0.5924902 0.4075098 0.0000000), wk = 0.0041667 k( 168) = ( 0.5832411 0.4167589 0.0000000), wk = 0.0041667 k( 169) = ( 0.5739921 0.4260079 0.0000000), wk = 0.0041667 k( 170) = ( 0.5647431 0.4352569 0.0000000), wk = 0.0041667 k( 171) = ( 0.5554941 0.4445059 0.0000000), wk = 0.0041667 k( 172) = ( 0.5462451 0.4537549 0.0000000), wk = 0.0041667 k( 173) = ( 0.5369961 0.4630039 0.0000000), wk = 0.0041667 k( 174) = ( 0.5277470 0.4722530 0.0000000), wk = 0.0041667 k( 175) = ( 0.5184980 0.4815020 0.0000000), wk = 0.0041667 k( 176) = ( 0.5092490 0.4907510 0.0000000), wk = 0.0041667 k( 177) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0041667 k( 178) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0041667 k( 179) = ( 0.5085884 0.5085884 0.0185375), wk = 0.0041667 k( 180) = ( 0.5171767 0.5171767 0.0370751), wk = 0.0041667 k( 181) = ( 0.5257651 0.5257651 0.0556126), wk = 0.0041667 k( 182) = ( 0.5343535 0.5343535 0.0741502), wk = 0.0041667 k( 183) = ( 0.5429418 0.5429419 0.0926877), wk = 0.0041667 k( 184) = ( 0.5515302 0.5515302 0.1112253), wk = 0.0041667 k( 185) = ( 0.5601186 0.5601186 0.1297628), wk = 0.0041667 k( 186) = ( 0.5687070 0.5687070 0.1483004), wk = 0.0041667 k( 187) = ( 0.5772953 0.5772953 0.1668379), wk = 0.0041667 k( 188) = ( 0.5858837 0.5858837 0.1853754), wk = 0.0041667 k( 189) = ( 0.5944721 0.5944721 0.2039130), wk = 0.0041667 k( 190) = ( 0.6030604 0.6030604 0.2224505), wk = 0.0041667 k( 191) = ( 0.6116488 0.6116488 0.2409881), wk = 0.0041667 k( 192) = ( 0.6202372 0.6202372 0.2595256), wk = 0.0041667 k( 193) = ( 0.6202372 0.6202372 0.2595256), wk = 0.0041667 k( 194) = ( 0.6147719 0.6147719 0.2704563), wk = 0.0041667 k( 195) = ( 0.6093065 0.6093065 0.2813869), wk = 0.0041667 k( 196) = ( 0.6038412 0.6038412 0.2923176), wk = 0.0041667 k( 197) = ( 0.5983759 0.5983759 0.3032482), wk = 0.0041667 k( 198) = ( 0.5929106 0.5929106 0.3141789), wk = 0.0041667 k( 199) = ( 0.5874452 0.5874452 0.3251095), wk = 0.0041667 k( 200) = ( 0.5819799 0.5819799 0.3360402), wk = 0.0041667 k( 201) = ( 0.5765146 0.5765146 0.3469708), wk = 0.0041667 k( 202) = ( 0.5710492 0.5710492 0.3579015), wk = 0.0041667 k( 203) = ( 0.5655839 0.5655839 0.3688322), wk = 0.0041667 k( 204) = ( 0.5601186 0.5601186 0.3797628), wk = 0.0041667 k( 205) = ( 0.5546533 0.5546533 0.3906935), wk = 0.0041667 k( 206) = ( 0.5491879 0.5491879 0.4016241), wk = 0.0041667 k( 207) = ( 0.5437226 0.5437226 0.4125548), wk = 0.0041667 k( 208) = ( 0.5382573 0.5382573 0.4234854), wk = 0.0041667 k( 209) = ( 0.5327920 0.5327920 0.4344161), wk = 0.0041667 k( 210) = ( 0.5273266 0.5273266 0.4453467), wk = 0.0041667 k( 211) = ( 0.5218613 0.5218613 0.4562774), wk = 0.0041667 k( 212) = ( 0.5163960 0.5163960 0.4672080), wk = 0.0041667 k( 213) = ( 0.5109307 0.5109307 0.4781387), wk = 0.0041667 k( 214) = ( 0.5054653 0.5054653 0.4890694), wk = 0.0041667 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041667 k( 216) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0041667 k( 217) = ( 0.5100198 0.0158235 0.0158235), wk = 0.0041667 k( 218) = ( 0.5200395 0.0316469 0.0316469), wk = 0.0041667 k( 219) = ( 0.5300593 0.0474704 0.0474704), wk = 0.0041667 k( 220) = ( 0.5400791 0.0632938 0.0632938), wk = 0.0041667 k( 221) = ( 0.5500988 0.0791173 0.0791173), wk = 0.0041667 k( 222) = ( 0.5601186 0.0949407 0.0949407), wk = 0.0041667 k( 223) = ( 0.5701384 0.1107642 0.1107642), wk = 0.0041667 k( 224) = ( 0.5801581 0.1265876 0.1265876), wk = 0.0041667 k( 225) = ( 0.5901779 0.1424111 0.1424111), wk = 0.0041667 k( 226) = ( 0.6001977 0.1582345 0.1582345), wk = 0.0041667 k( 227) = ( 0.6102174 0.1740579 0.1740580), wk = 0.0041667 k( 228) = ( 0.6202372 0.1898814 0.1898814), wk = 0.0041667 k( 229) = ( 0.6302570 0.2057049 0.2057049), wk = 0.0041667 k( 230) = ( 0.6402767 0.2215283 0.2215283), wk = 0.0041667 k( 231) = ( 0.6502965 0.2373518 0.2373518), wk = 0.0041667 k( 232) = ( 0.6603163 0.2531752 0.2531752), wk = 0.0041667 k( 233) = ( 0.6703360 0.2689987 0.2689987), wk = 0.0041667 k( 234) = ( 0.6803558 0.2848221 0.2848221), wk = 0.0041667 k( 235) = ( 0.6903755 0.3006456 0.3006456), wk = 0.0041667 k( 236) = ( 0.7003953 0.3164690 0.3164690), wk = 0.0041667 k( 237) = ( 0.7104151 0.3322925 0.3322925), wk = 0.0041667 k( 238) = ( 0.7204348 0.3481159 0.3481159), wk = 0.0041667 k( 239) = ( 0.7304546 0.3639394 0.3639394), wk = 0.0041667 k( 240) = ( 0.7404744 0.3797628 0.3797628), wk = 0.0041667 Dense grid: 101097 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 55013 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.37 Mb ( 298, 82) NL pseudopotentials 0.42 Mb ( 149, 184) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2108) G-vector shells 0.01 Mb ( 1774) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.49 Mb ( 298, 328) Each subspace H/S matrix 1.64 Mb ( 328, 328) Each matrix 0.46 Mb ( 184, 2, 82) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./KIO3.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.9 secs Computing kpt #: 2 total cpu time spent up to now is 53.4 secs Computing kpt #: 3 total cpu time spent up to now is 60.8 secs Computing kpt #: 4 total cpu time spent up to now is 68.0 secs Computing kpt #: 5 total cpu time spent up to now is 75.2 secs Computing kpt #: 6 total cpu time spent up to now is 82.3 secs Computing kpt #: 7 total cpu time spent up to now is 89.3 secs Computing kpt #: 8 total cpu time spent up to now is 97.1 secs Computing kpt #: 9 total cpu time spent up to now is 103.8 secs Computing kpt #: 10 total cpu time spent up to now is 110.5 secs Computing kpt #: 11 total cpu time spent up to now is 117.3 secs Computing kpt #: 12 total cpu time spent up to now is 124.1 secs Computing kpt #: 13 total cpu time spent up to now is 130.8 secs Computing kpt #: 14 total cpu time spent up to now is 137.7 secs Computing kpt #: 15 total cpu time spent up to now is 144.5 secs Computing kpt #: 16 total cpu time spent up to now is 151.5 secs Computing kpt #: 17 total cpu time spent up to now is 158.6 secs Computing kpt #: 18 total cpu time spent up to now is 165.6 secs Computing kpt #: 19 total cpu time spent up to now is 172.5 secs Computing kpt #: 20 total cpu time spent up to now is 179.3 secs Computing kpt #: 21 total cpu time spent up to now is 186.1 secs Computing kpt #: 22 total cpu time spent up to now is 193.1 secs Computing kpt #: 23 total cpu time spent up to now is 200.5 secs Computing kpt #: 24 total cpu time spent up to now is 207.2 secs Computing kpt #: 25 total cpu time spent up to now is 214.2 secs Computing kpt #: 26 total cpu time spent up to now is 221.2 secs Computing kpt #: 27 total cpu time spent up to now is 228.5 secs Computing kpt #: 28 total cpu time spent up to now is 236.4 secs Computing kpt #: 29 total cpu time spent up to now is 245.5 secs Computing kpt #: 30 total cpu time spent up to now is 254.8 secs Computing kpt #: 31 total cpu time spent up to now is 265.2 secs Computing kpt #: 32 total cpu time spent up to now is 276.4 secs Computing kpt #: 33 total cpu time spent up to now is 287.3 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 298.4 secs Computing kpt #: 35 total cpu time spent up to now is 309.8 secs Computing kpt #: 36 total cpu time spent up to now is 321.2 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 332.6 secs Computing kpt #: 38 total cpu time spent up to now is 343.9 secs Computing kpt #: 39 total cpu time spent up to now is 354.5 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 365.9 secs Computing kpt #: 41 total cpu time spent up to now is 377.1 secs Computing kpt #: 42 total cpu time spent up to now is 388.5 secs Computing kpt #: 43 total cpu time spent up to now is 399.7 secs Computing kpt #: 44 total cpu time spent up to now is 410.9 secs Computing kpt #: 45 total cpu time spent up to now is 422.3 secs Computing kpt #: 46 total cpu time spent up to now is 433.8 secs Computing kpt #: 47 total cpu time spent up to now is 444.8 secs Computing kpt #: 48 total cpu time spent up to now is 455.5 secs Computing kpt #: 49 total cpu time spent up to now is 466.5 secs Computing kpt #: 50 total cpu time spent up to now is 477.8 secs Computing kpt #: 51 total cpu time spent up to now is 488.4 secs Computing kpt #: 52 total cpu time spent up to now is 499.9 secs Computing kpt #: 53 total cpu time spent up to now is 509.9 secs Computing kpt #: 54 total cpu time spent up to now is 519.2 secs Computing kpt #: 55 total cpu time spent up to now is 528.6 secs Computing kpt #: 56 total cpu time spent up to now is 539.1 secs Computing kpt #: 57 total cpu time spent up to now is 550.2 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 561.7 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 573.2 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 585.0 secs Computing kpt #: 61 total cpu time spent up to now is 595.7 secs Computing kpt #: 62 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 607.4 secs Computing kpt #: 63 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 619.1 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 630.7 secs Computing kpt #: 65 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 642.2 secs Computing kpt #: 66 total cpu time spent up to now is 653.7 secs Computing kpt #: 67 total cpu time spent up to now is 664.6 secs Computing kpt #: 68 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 676.5 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 688.4 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 702.2 secs Computing kpt #: 71 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 713.6 secs Computing kpt #: 72 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 725.2 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 737.1 secs Computing kpt #: 74 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 748.7 secs Computing kpt #: 75 total cpu time spent up to now is 760.1 secs Computing kpt #: 76 total cpu time spent up to now is 771.8 secs Computing kpt #: 77 total cpu time spent up to now is 783.3 secs Computing kpt #: 78 total cpu time spent up to now is 795.0 secs Computing kpt #: 79 total cpu time spent up to now is 806.5 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 818.1 secs Computing kpt #: 81 total cpu time spent up to now is 829.2 secs Computing kpt #: 82 total cpu time spent up to now is 840.5 secs Computing kpt #: 83 total cpu time spent up to now is 851.7 secs Computing kpt #: 84 total cpu time spent up to now is 862.9 secs Computing kpt #: 85 total cpu time spent up to now is 874.0 secs Computing kpt #: 86 total cpu time spent up to now is 885.1 secs Computing kpt #: 87 total cpu time spent up to now is 895.7 secs Computing kpt #: 88 total cpu time spent up to now is 906.8 secs Computing kpt #: 89 total cpu time spent up to now is 917.6 secs Computing kpt #: 90 total cpu time spent up to now is 928.8 secs Computing kpt #: 91 total cpu time spent up to now is 940.4 secs Computing kpt #: 92 total cpu time spent up to now is 950.8 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 962.0 secs Computing kpt #: 94 total cpu time spent up to now is 971.0 secs Computing kpt #: 95 total cpu time spent up to now is 980.5 secs Computing kpt #: 96 total cpu time spent up to now is 989.1 secs Computing kpt #: 97 total cpu time spent up to now is 1000.1 secs Computing kpt #: 98 total cpu time spent up to now is 1007.4 secs Computing kpt #: 99 total cpu time spent up to now is 1014.7 secs Computing kpt #: 100 total cpu time spent up to now is 1022.1 secs Computing kpt #: 101 total cpu time spent up to now is 1029.3 secs Computing kpt #: 102 total cpu time spent up to now is 1036.5 secs Computing kpt #: 103 total cpu time spent up to now is 1043.2 secs Computing kpt #: 104 total cpu time spent up to now is 1050.5 secs Computing kpt #: 105 total cpu time spent up to now is 1057.6 secs Computing kpt #: 106 total cpu time spent up to now is 1064.4 secs Computing kpt #: 107 total cpu time spent up to now is 1071.1 secs Computing kpt #: 108 total cpu time spent up to now is 1077.9 secs Computing kpt #: 109 total cpu time spent up to now is 1084.6 secs Computing kpt #: 110 total cpu time spent up to now is 1091.4 secs Computing kpt #: 111 total cpu time spent up to now is 1098.2 secs Computing kpt #: 112 total cpu time spent up to now is 1105.2 secs Computing kpt #: 113 total cpu time spent up to now is 1112.6 secs Computing kpt #: 114 total cpu time spent up to now is 1120.0 secs Computing kpt #: 115 total cpu time spent up to now is 1127.6 secs Computing kpt #: 116 total cpu time spent up to now is 1135.1 secs Computing kpt #: 117 total cpu time spent up to now is 1142.4 secs Computing kpt #: 118 total cpu time spent up to now is 1149.7 secs Computing kpt #: 119 total cpu time spent up to now is 1157.0 secs Computing kpt #: 120 total cpu time spent up to now is 1164.5 secs Computing kpt #: 121 total cpu time spent up to now is 1172.0 secs Computing kpt #: 122 total cpu time spent up to now is 1179.2 secs Computing kpt #: 123 total cpu time spent up to now is 1186.5 secs Computing kpt #: 124 total cpu time spent up to now is 1193.8 secs Computing kpt #: 125 total cpu time spent up to now is 1201.0 secs Computing kpt #: 126 total cpu time spent up to now is 1208.1 secs Computing kpt #: 127 total cpu time spent up to now is 1215.4 secs Computing kpt #: 128 total cpu time spent up to now is 1222.6 secs Computing kpt #: 129 total cpu time spent up to now is 1229.8 secs Computing kpt #: 130 total cpu time spent up to now is 1236.8 secs Computing kpt #: 131 total cpu time spent up to now is 1244.0 secs Computing kpt #: 132 total cpu time spent up to now is 1250.7 secs Computing kpt #: 133 total cpu time spent up to now is 1257.5 secs Computing kpt #: 134 total cpu time spent up to now is 1264.3 secs Computing kpt #: 135 total cpu time spent up to now is 1271.1 secs Computing kpt #: 136 total cpu time spent up to now is 1278.0 secs Computing kpt #: 137 total cpu time spent up to now is 1284.4 secs Computing kpt #: 138 total cpu time spent up to now is 1291.7 secs Computing kpt #: 139 total cpu time spent up to now is 1300.8 secs Computing kpt #: 140 total cpu time spent up to now is 1307.7 secs Computing kpt #: 141 total cpu time spent up to now is 1314.5 secs Computing kpt #: 142 total cpu time spent up to now is 1321.3 secs Computing kpt #: 143 total cpu time spent up to now is 1328.1 secs Computing kpt #: 144 total cpu time spent up to now is 1335.0 secs Computing kpt #: 145 total cpu time spent up to now is 1341.9 secs Computing kpt #: 146 total cpu time spent up to now is 1348.6 secs Computing kpt #: 147 total cpu time spent up to now is 1355.4 secs Computing kpt #: 148 total cpu time spent up to now is 1362.0 secs Computing kpt #: 149 total cpu time spent up to now is 1369.0 secs Computing kpt #: 150 total cpu time spent up to now is 1375.7 secs Computing kpt #: 151 total cpu time spent up to now is 1382.9 secs Computing kpt #: 152 total cpu time spent up to now is 1390.1 secs Computing kpt #: 153 total cpu time spent up to now is 1397.7 secs Computing kpt #: 154 total cpu time spent up to now is 1405.4 secs Computing kpt #: 155 total cpu time spent up to now is 1413.9 secs Computing kpt #: 156 total cpu time spent up to now is 1422.8 secs Computing kpt #: 157 total cpu time spent up to now is 1431.4 secs Computing kpt #: 158 total cpu time spent up to now is 1440.6 secs Computing kpt #: 159 total cpu time spent up to now is 1450.0 secs Computing kpt #: 160 total cpu time spent up to now is 1459.7 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1471.4 secs Computing kpt #: 162 total cpu time spent up to now is 1482.9 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1494.7 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1506.6 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1518.4 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1530.7 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1542.5 secs Computing kpt #: 168 total cpu time spent up to now is 1553.6 secs Computing kpt #: 169 total cpu time spent up to now is 1565.5 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1577.3 secs Computing kpt #: 171 total cpu time spent up to now is 1587.6 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1601.3 secs Computing kpt #: 173 total cpu time spent up to now is 1613.1 secs Computing kpt #: 174 total cpu time spent up to now is 1625.0 secs Computing kpt #: 175 total cpu time spent up to now is 1635.1 secs Computing kpt #: 176 total cpu time spent up to now is 1646.0 secs Computing kpt #: 177 total cpu time spent up to now is 1656.4 secs Computing kpt #: 178 total cpu time spent up to now is 1666.4 secs Computing kpt #: 179 total cpu time spent up to now is 1677.8 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1690.0 secs Computing kpt #: 181 total cpu time spent up to now is 1701.0 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1713.0 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1725.4 secs Computing kpt #: 184 total cpu time spent up to now is 1735.2 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1747.0 secs Computing kpt #: 186 total cpu time spent up to now is 1758.5 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1770.4 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1782.3 secs Computing kpt #: 189 total cpu time spent up to now is 1792.6 secs Computing kpt #: 190 total cpu time spent up to now is 1804.2 secs Computing kpt #: 191 total cpu time spent up to now is 1814.5 secs Computing kpt #: 192 total cpu time spent up to now is 1826.0 secs Computing kpt #: 193 total cpu time spent up to now is 1836.9 secs Computing kpt #: 194 total cpu time spent up to now is 1847.2 secs Computing kpt #: 195 total cpu time spent up to now is 1858.6 secs Computing kpt #: 196 total cpu time spent up to now is 1869.3 secs Computing kpt #: 197 total cpu time spent up to now is 1880.0 secs Computing kpt #: 198 total cpu time spent up to now is 1890.8 secs Computing kpt #: 199 total cpu time spent up to now is 1902.8 secs Computing kpt #: 200 total cpu time spent up to now is 1913.8 secs Computing kpt #: 201 total cpu time spent up to now is 1925.0 secs Computing kpt #: 202 total cpu time spent up to now is 1936.5 secs Computing kpt #: 203 total cpu time spent up to now is 1947.7 secs Computing kpt #: 204 total cpu time spent up to now is 1958.4 secs Computing kpt #: 205 total cpu time spent up to now is 1969.8 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1981.3 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1992.8 secs Computing kpt #: 208 total cpu time spent up to now is 2004.0 secs Computing kpt #: 209 total cpu time spent up to now is 2015.6 secs Computing kpt #: 210 total cpu time spent up to now is 2026.9 secs Computing kpt #: 211 total cpu time spent up to now is 2038.2 secs Computing kpt #: 212 total cpu time spent up to now is 2049.3 secs Computing kpt #: 213 total cpu time spent up to now is 2060.3 secs Computing kpt #: 214 total cpu time spent up to now is 2071.4 secs Computing kpt #: 215 total cpu time spent up to now is 2082.1 secs Computing kpt #: 216 total cpu time spent up to now is 2092.6 secs Computing kpt #: 217 total cpu time spent up to now is 2104.0 secs Computing kpt #: 218 total cpu time spent up to now is 2115.6 secs Computing kpt #: 219 total cpu time spent up to now is 2126.7 secs Computing kpt #: 220 total cpu time spent up to now is 2137.4 secs Computing kpt #: 221 total cpu time spent up to now is 2148.0 secs Computing kpt #: 222 total cpu time spent up to now is 2159.0 secs Computing kpt #: 223 total cpu time spent up to now is 2169.6 secs Computing kpt #: 224 total cpu time spent up to now is 2180.5 secs Computing kpt #: 225 total cpu time spent up to now is 2191.1 secs Computing kpt #: 226 total cpu time spent up to now is 2203.5 secs Computing kpt #: 227 total cpu time spent up to now is 2214.7 secs Computing kpt #: 228 total cpu time spent up to now is 2226.0 secs Computing kpt #: 229 total cpu time spent up to now is 2237.3 secs Computing kpt #: 230 total cpu time spent up to now is 2246.7 secs Computing kpt #: 231 total cpu time spent up to now is 2257.5 secs Computing kpt #: 232 total cpu time spent up to now is 2268.3 secs Computing kpt #: 233 total cpu time spent up to now is 2278.1 secs Computing kpt #: 234 total cpu time spent up to now is 2288.3 secs Computing kpt #: 235 total cpu time spent up to now is 2300.0 secs Computing kpt #: 236 total cpu time spent up to now is 2309.3 secs Computing kpt #: 237 total cpu time spent up to now is 2318.8 secs Computing kpt #: 238 total cpu time spent up to now is 2330.3 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2342.0 secs Computing kpt #: 240 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2353.8 secs ethr = 1.47E-11, avg # of iterations = 87.1 total cpu time spent up to now is 2353.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6855 PWs) bands (ev): -21.6736 -21.6736 -21.6385 -21.6385 -14.4998 -14.4998 -13.5193 -13.5193 -11.8193 -11.8193 -11.7465 -11.7465 -11.2489 -11.2489 -11.1981 -11.1981 -6.6792 -6.6792 -5.4661 -5.4661 -5.3805 -5.3805 -5.2191 -5.2191 -5.2033 -5.2033 -5.1340 -5.1340 -5.0680 -5.0680 -3.0528 -3.0528 -1.1194 -1.1194 -0.7020 -0.7020 -0.2242 -0.2242 1.9335 1.9335 2.2429 2.2429 2.3218 2.3218 3.1027 3.1027 3.1058 3.1058 4.3668 4.3668 4.4082 4.4082 4.4111 4.4111 4.4893 4.4893 4.5117 4.5117 4.7935 4.7935 5.0789 5.0789 5.1080 5.1080 5.4117 5.4117 6.4947 6.4947 8.5409 8.5409 9.0326 9.0326 9.6426 9.6426 11.7587 11.7587 13.2853 13.2853 13.8164 13.8164 13.8341 13.8341 k = 0.0156-0.0082-0.0059 ( 6867 PWs) bands (ev): -21.6736 -21.6736 -21.6385 -21.6385 -14.4996 -14.4992 -13.5207 -13.5196 -11.8202 -11.8179 -11.7465 -11.7461 -11.2500 -11.2486 -11.1986 -11.1982 -6.6786 -6.6766 -5.4675 -5.4643 -5.3823 -5.3787 -5.2206 -5.2174 -5.2031 -5.2030 -5.1361 -5.1320 -5.0680 -5.0680 -3.0575 -3.0570 -1.1352 -1.0995 -0.7014 -0.7005 -0.2384 -0.2015 1.8999 1.9612 2.2097 2.2629 2.3246 2.3282 3.1023 3.1035 3.1055 3.1066 4.3472 4.3695 4.3986 4.4065 4.4161 4.4276 4.4878 4.4901 4.5110 4.5117 4.7934 4.7963 5.0763 5.0803 5.1070 5.1078 5.4111 5.4115 6.4772 6.5080 8.5171 8.5702 9.0347 9.0353 9.6367 9.6563 11.7585 11.7620 13.2801 13.2866 13.8069 13.8177 13.8316 13.8351 k = 0.0312-0.0163-0.0118 ( 6859 PWs) bands (ev): -21.6736 -21.6736 -21.6386 -21.6386 -14.4986 -14.4978 -13.5235 -13.5213 -11.8204 -11.8159 -11.7458 -11.7451 -11.2517 -11.2489 -11.1998 -11.1989 -6.6751 -6.6711 -5.4685 -5.4620 -5.3841 -5.3768 -5.2216 -5.2155 -5.2022 -5.2020 -5.1381 -5.1300 -5.0680 -5.0680 -3.0712 -3.0701 -1.1466 -1.0762 -0.6985 -0.6968 -0.2437 -0.1709 1.8616 1.9817 2.1716 2.2629 2.3299 2.3499 3.1023 3.1044 3.1061 3.1080 4.3231 4.3500 4.3979 4.4015 4.4273 4.4447 4.4841 4.4900 4.5111 4.5134 4.7960 4.8016 5.0722 5.0805 5.1049 5.1064 5.4097 5.4106 6.4560 6.5167 8.4991 8.6046 9.0415 9.0429 9.6390 9.6772 11.7613 11.7684 13.2711 13.2840 13.7927 13.8090 13.8252 13.8361 k = 0.0469-0.0245-0.0177 ( 6865 PWs) bands (ev): -21.6735 -21.6735 -21.6386 -21.6386 -14.4967 -14.4956 -13.5278 -13.5245 -11.8201 -11.8134 -11.7446 -11.7435 -11.2540 -11.2498 -11.2016 -11.2003 -6.6685 -6.6625 -5.4690 -5.4595 -5.3857 -5.3749 -5.2223 -5.2135 -5.2009 -5.2003 -5.1400 -5.1280 -5.0679 -5.0679 -3.0934 -3.0918 -1.1533 -1.0501 -0.6934 -0.6908 -0.2396 -0.1329 1.8191 1.9928 2.1320 2.2501 2.3361 2.3788 3.1027 3.1051 3.1079 3.1100 4.2970 4.3250 4.3921 4.3955 4.4397 4.4561 4.4778 4.4864 4.5167 4.5190 4.8011 4.8090 5.0666 5.0795 5.1017 5.1041 5.4076 5.4090 6.4313 6.5204 8.4875 8.6438 9.0524 9.0559 9.6495 9.7050 11.7671 11.7780 13.2584 13.2775 13.7750 13.7932 13.8143 13.8352 k = 0.0625-0.0327-0.0235 ( 6866 PWs) bands (ev): -21.6734 -21.6734 -21.6387 -21.6387 -14.4940 -14.4926 -13.5336 -13.5292 -11.8192 -11.8103 -11.7429 -11.7414 -11.2571 -11.2515 -11.2040 -11.2023 -6.6589 -6.6510 -5.4691 -5.4565 -5.3873 -5.3731 -5.2226 -5.2116 -5.1992 -5.1978 -5.1418 -5.1261 -5.0679 -5.0678 -3.1238 -3.1215 -1.1553 -1.0217 -0.6864 -0.6824 -0.2260 -0.0883 1.7730 1.9914 2.0943 2.2303 2.3435 2.4087 3.1034 3.1058 3.1107 3.1127 4.2696 4.2983 4.3820 4.3869 4.4460 4.4578 4.4736 4.4820 4.5287 4.5290 4.8080 4.8178 5.0594 5.0770 5.0978 5.1011 5.4048 5.4066 6.4036 6.5188 8.4826 8.6875 9.0670 9.0748 9.6682 9.7389 11.7755 11.7904 13.2419 13.2671 13.7544 13.7722 13.7996 13.8315 k = 0.0781-0.0408-0.0294 ( 6869 PWs) bands (ev): -21.6732 -21.6732 -21.6388 -21.6388 -14.4905 -14.4887 -13.5408 -13.5355 -11.8177 -11.8066 -11.7406 -11.7388 -11.2607 -11.2538 -11.2070 -11.2049 -6.6463 -6.6365 -5.4687 -5.4533 -5.3887 -5.3713 -5.2224 -5.2098 -5.1970 -5.1945 -5.1435 -5.1243 -5.0678 -5.0676 -3.1618 -3.1585 -1.1526 -0.9917 -0.6773 -0.6715 -0.2030 -0.0375 1.7239 1.9733 2.0623 2.2053 2.3525 2.4378 3.1042 3.1067 3.1143 3.1162 4.2415 4.2707 4.3684 4.3743 4.4404 4.4518 4.4742 4.4826 4.5417 4.5448 4.8164 4.8275 5.0504 5.0727 5.0936 5.0976 5.4012 5.4034 6.3734 6.5117 8.4849 8.7356 9.0853 9.0996 9.6950 9.7784 11.7863 11.8056 13.2217 13.2527 13.7309 13.7467 13.7818 13.8252 k = 0.0938-0.0490-0.0353 ( 6879 PWs) bands (ev): -21.6730 -21.6730 -21.6389 -21.6389 -14.4862 -14.4840 -13.5494 -13.5431 -11.8155 -11.8024 -11.7378 -11.7356 -11.2650 -11.2568 -11.2106 -11.2081 -6.6308 -6.6191 -5.4679 -5.4498 -5.3900 -5.3695 -5.2218 -5.2079 -5.1943 -5.1906 -5.1449 -5.1227 -5.0678 -5.0675 -3.2069 -3.2021 -1.1454 -0.9605 -0.6663 -0.6579 -0.1709 0.0188 1.6721 1.9385 2.0361 2.1756 2.3630 2.4654 3.1051 3.1077 3.1187 3.1206 4.2127 4.2425 4.3509 4.3571 4.4295 4.4411 4.4780 4.4852 4.5565 4.5618 4.8255 4.8378 5.0397 5.0662 5.0895 5.0939 5.3970 5.3995 6.3409 6.4990 8.4946 8.7880 9.1071 9.1304 9.7293 9.8230 11.7991 11.8232 13.1978 13.2344 13.7044 13.7172 13.7619 13.8168 k = 0.1094-0.0572-0.0412 ( 6875 PWs) bands (ev): -21.6728 -21.6728 -21.6390 -21.6390 -14.4811 -14.4786 -13.5594 -13.5522 -11.8128 -11.7977 -11.7344 -11.7319 -11.2699 -11.2604 -11.2148 -11.2119 -6.6124 -6.5989 -5.4666 -5.4460 -5.3911 -5.3678 -5.2207 -5.2060 -5.1913 -5.1861 -5.1461 -5.1212 -5.0678 -5.0674 -3.2583 -3.2517 -1.1339 -0.9283 -0.6533 -0.6417 -0.1304 0.0801 1.6178 1.8931 2.0103 2.1416 2.3749 2.4912 3.1061 3.1088 3.1241 3.1261 4.1837 4.2139 4.3295 4.3354 4.4182 4.4289 4.4817 4.4877 4.5720 4.5789 4.8352 4.8482 5.0274 5.0575 5.0859 5.0901 5.3921 5.3949 6.3064 6.4809 8.5120 8.8445 9.1327 9.1671 9.7707 9.8720 11.8133 11.8430 13.1703 13.2121 13.6742 13.6843 13.7408 13.8065 k = 0.1250-0.0653-0.0471 ( 6871 PWs) bands (ev): -21.6726 -21.6726 -21.6391 -21.6391 -14.4752 -14.4723 -13.5707 -13.5627 -11.8095 -11.7924 -11.7305 -11.7277 -11.2754 -11.2647 -11.2196 -11.2163 -6.5912 -6.5759 -5.4649 -5.4421 -5.3921 -5.3663 -5.2192 -5.2041 -5.1878 -5.1811 -5.1470 -5.1198 -5.0679 -5.0674 -3.3151 -3.3064 -1.1184 -0.8954 -0.6381 -0.6229 -0.0820 0.1457 1.5614 1.8421 1.9807 2.1032 2.3875 2.5151 3.1071 3.1101 3.1305 3.1326 4.1544 4.1851 4.3043 4.3098 4.4074 4.4169 4.4844 4.4898 4.5875 4.5953 4.8450 4.8586 5.0140 5.0470 5.0827 5.0863 5.3866 5.3897 6.2704 6.4576 8.5369 8.9050 9.1620 9.2097 9.8184 9.9251 11.8284 11.8644 13.1391 13.1859 13.6394 13.6486 13.7196 13.7949 k = 0.1406-0.0735-0.0530 ( 6871 PWs) bands (ev): -21.6723 -21.6723 -21.6393 -21.6393 -14.4685 -14.4652 -13.5833 -13.5744 -11.8055 -11.7867 -11.7261 -11.7229 -11.2815 -11.2697 -11.2249 -11.2213 -6.5672 -6.5502 -5.4627 -5.4379 -5.3929 -5.3648 -5.2174 -5.2020 -5.1840 -5.1759 -5.1475 -5.1185 -5.0680 -5.0674 -3.3767 -3.3656 -1.0993 -0.8618 -0.6207 -0.6014 -0.0268 0.2152 1.5031 1.7876 1.9460 2.0608 2.4003 2.5371 3.1080 3.1113 3.1379 3.1402 4.1252 4.1561 4.2757 4.2811 4.3968 4.4051 4.4859 4.4913 4.6024 4.6107 4.8547 4.8687 4.9996 5.0351 5.0797 5.0827 5.3806 5.3837 6.2329 6.4293 8.5694 8.9692 9.1955 9.2578 9.8717 9.9818 11.8438 11.8870 13.1041 13.1559 13.5997 13.6102 13.6992 13.7821 k = 0.1562-0.0817-0.0589 ( 6863 PWs) bands (ev): -21.6720 -21.6720 -21.6395 -21.6394 -14.4610 -14.4573 -13.5971 -13.5875 -11.8010 -11.7804 -11.7211 -11.7176 -11.2882 -11.2752 -11.2308 -11.2268 -6.5405 -6.5218 -5.4601 -5.4337 -5.3936 -5.3635 -5.2151 -5.1999 -5.1798 -5.1704 -5.1475 -5.1175 -5.0684 -5.0675 -3.4422 -3.4287 -1.0767 -0.8273 -0.6010 -0.5774 0.0345 0.2880 1.4432 1.7309 1.9062 2.0146 2.4126 2.5570 3.1089 3.1125 3.1465 3.1489 4.0962 4.1271 4.2446 4.2499 4.3861 4.3934 4.4860 4.4921 4.6163 4.6247 4.8640 4.8783 4.9849 5.0223 5.0769 5.0795 5.3739 5.3772 6.1944 6.3966 8.6092 9.0371 9.2331 9.3114 9.9299 10.0415 11.8585 11.9103 13.0654 13.1222 13.5557 13.5686 13.6802 13.7689 k = 0.1719-0.0899-0.0647 ( 6865 PWs) bands (ev): -21.6717 -21.6717 -21.6396 -21.6396 -14.4527 -14.4486 -13.6120 -13.6017 -11.7959 -11.7737 -11.7156 -11.7118 -11.2954 -11.2814 -11.2372 -11.2329 -6.5112 -6.4909 -5.4570 -5.4294 -5.3940 -5.3624 -5.2126 -5.1976 -5.1753 -5.1649 -5.1468 -5.1165 -5.0688 -5.0677 -3.5111 -3.4951 -1.0510 -0.7919 -0.5788 -0.5508 0.1010 0.3637 1.3819 1.6724 1.8615 1.9647 2.4238 2.5749 3.1098 3.1137 3.1562 3.1588 4.0674 4.0982 4.2114 4.2168 4.3752 4.3815 4.4847 4.4920 4.6290 4.6372 4.8727 4.8872 4.9704 5.0090 5.0742 5.0771 5.3668 5.3700 6.1551 6.3601 8.6558 9.1082 9.2753 9.3701 9.9923 10.1039 11.8719 11.9336 13.0227 13.0848 13.5080 13.5236 13.6633 13.7557 k = 0.1875-0.0980-0.0706 ( 6869 PWs) bands (ev): -21.6714 -21.6714 -21.6398 -21.6398 -14.4436 -14.4392 -13.6280 -13.6171 -11.7902 -11.7665 -11.7096 -11.7055 -11.3032 -11.2882 -11.2441 -11.2395 -6.4793 -6.4576 -5.4536 -5.4251 -5.3941 -5.3615 -5.2098 -5.1953 -5.1705 -5.1597 -5.1451 -5.1158 -5.0695 -5.0680 -3.5827 -3.5643 -1.0224 -0.7553 -0.5543 -0.5217 0.1717 0.4416 1.3195 1.6127 1.8123 1.9115 2.4334 2.5906 3.1107 3.1149 3.1671 3.1698 4.0392 4.0696 4.1767 4.1823 4.3636 4.3693 4.4817 4.4907 4.6402 4.6479 4.8806 4.8952 4.9570 4.9957 5.0717 5.0757 5.3592 5.3624 6.1151 6.3202 8.7089 9.1819 9.3224 9.4337 10.0584 10.1687 11.8829 11.9562 12.9761 13.0439 13.4571 13.4751 13.6490 13.7432 k = 0.2031-0.1062-0.0765 ( 6869 PWs) bands (ev): -21.6710 -21.6710 -21.6400 -21.6400 -14.4337 -14.4290 -13.6450 -13.6336 -11.7839 -11.7589 -11.7032 -11.6987 -11.3114 -11.2956 -11.2515 -11.2466 -6.4450 -6.4219 -5.4497 -5.4209 -5.3940 -5.3608 -5.2070 -5.1929 -5.1656 -5.1551 -5.1421 -5.1151 -5.0704 -5.0684 -3.6565 -3.6356 -0.9911 -0.7174 -0.5274 -0.4901 0.2459 0.5214 1.2563 1.5520 1.7592 1.8551 2.4410 2.6039 3.1117 3.1163 3.1792 3.1819 4.0116 4.0413 4.1408 4.1467 4.3514 4.3564 4.4768 4.4881 4.6500 4.6567 4.8871 4.9021 4.9454 4.9830 5.0699 5.0754 5.3512 5.3542 6.0748 6.2775 8.7680 9.2575 9.3749 9.5018 10.1276 10.2354 11.8906 11.9775 12.9254 12.9995 13.4031 13.4235 13.6378 13.7322 k = 0.2188-0.1144-0.0824 ( 6869 PWs) bands (ev): -21.6706 -21.6706 -21.6403 -21.6403 -14.4231 -14.4180 -13.6629 -13.6510 -11.7771 -11.7508 -11.6962 -11.6914 -11.3202 -11.3035 -11.2594 -11.2541 -6.4084 -6.3840 -5.4456 -5.4169 -5.3936 -5.3604 -5.2041 -5.1904 -5.1608 -5.1511 -5.1377 -5.1145 -5.0715 -5.0689 -3.7319 -3.7087 -0.9572 -0.6781 -0.4981 -0.4561 0.3228 0.6023 1.1926 1.4907 1.7025 1.7959 2.4462 2.6147 3.1129 3.1179 3.1923 3.1952 3.9847 4.0135 4.1041 4.1105 4.3384 4.3428 4.4697 4.4837 4.6581 4.6637 4.8919 4.9075 4.9367 4.9715 5.0691 5.0763 5.3428 5.3456 6.0344 6.2328 8.8326 9.3335 9.4339 9.5740 10.1993 10.3036 11.8940 11.9967 12.8705 12.9517 13.3465 13.3691 13.6304 13.7235 k = 0.2344-0.1225-0.0883 ( 6871 PWs) bands (ev): -21.6703 -21.6703 -21.6405 -21.6405 -14.4118 -14.4063 -13.6817 -13.6694 -11.7697 -11.7424 -11.6888 -11.6837 -11.3294 -11.3119 -11.2676 -11.2621 -6.3695 -6.3440 -5.4410 -5.4133 -5.3927 -5.3602 -5.2014 -5.1877 -5.1564 -5.1469 -5.1324 -5.1139 -5.0727 -5.0695 -3.8084 -3.7832 -0.9209 -0.6373 -0.4665 -0.4197 0.4016 0.6836 1.1290 1.4292 1.6428 1.7341 2.4486 2.6226 3.1145 3.1198 3.2066 3.2095 3.9587 3.9863 4.0670 4.0740 4.3244 4.3283 4.4600 4.4774 4.6645 4.6689 4.8947 4.9110 4.9315 4.9617 5.0696 5.0787 5.3343 5.3367 5.9939 6.1865 8.9020 9.4082 9.5007 9.6501 10.2731 10.3732 11.8923 12.0131 12.8114 12.9005 13.2873 13.3122 13.6274 13.7180 k = 0.2500-0.1307-0.0942 ( 6869 PWs) bands (ev): -21.6699 -21.6699 -21.6407 -21.6407 -14.3997 -14.3939 -13.7012 -13.6886 -11.7618 -11.7336 -11.6810 -11.6755 -11.3390 -11.3208 -11.2763 -11.2706 -6.3285 -6.3020 -5.4363 -5.4103 -5.3913 -5.3603 -5.1990 -5.1848 -5.1527 -5.1421 -5.1273 -5.1126 -5.0741 -5.0702 -3.8857 -3.8586 -0.8824 -0.5948 -0.4327 -0.3810 0.4813 0.7640 1.0665 1.3684 1.5803 1.6701 2.4477 2.6274 3.1166 3.1224 3.2220 3.2250 3.9336 3.9597 4.0297 4.0376 4.3095 4.3129 4.4478 4.4687 4.6693 4.6728 4.8957 4.9128 4.9292 4.9543 5.0717 5.0827 5.3256 5.3276 5.9537 6.1391 8.9759 9.4801 9.5762 9.7297 10.3486 10.4437 11.8846 12.0260 12.7481 12.8459 13.2258 13.2533 13.6293 13.7163 k = 0.2656-0.1389-0.1000 ( 6868 PWs) bands (ev): -21.6695 -21.6695 -21.6410 -21.6410 -14.3869 -14.3807 -13.7213 -13.7085 -11.7534 -11.7245 -11.6728 -11.6669 -11.3489 -11.3301 -11.2853 -11.2794 -6.2856 -6.2581 -5.4313 -5.4078 -5.3892 -5.3606 -5.1972 -5.1817 -5.1495 -5.1369 -5.1234 -5.1098 -5.0756 -5.0709 -3.9633 -3.9345 -0.8418 -0.5507 -0.3966 -0.3401 0.5604 0.8401 1.0084 1.3094 1.5155 1.6041 2.4433 2.6288 3.1195 3.1258 3.2384 3.2414 3.9093 3.9336 3.9928 4.0018 4.2933 4.2964 4.4329 4.4576 4.6724 4.6761 4.8963 4.9132 4.9284 4.9492 5.0757 5.0885 5.3168 5.3183 5.9139 6.0912 9.0536 9.5496 9.6595 9.8123 10.4253 10.5148 11.8704 12.0349 12.6807 12.7876 13.1623 13.1929 13.6366 13.7193 k = 0.2812-0.1470-0.1059 ( 6871 PWs) bands (ev): -21.6691 -21.6691 -21.6412 -21.6412 -14.3734 -14.3669 -13.7421 -13.7291 -11.7446 -11.7150 -11.6642 -11.6580 -11.3592 -11.3399 -11.2947 -11.2885 -6.2407 -6.2126 -5.4263 -5.4061 -5.3867 -5.3610 -5.1959 -5.1784 -5.1466 -5.1321 -5.1210 -5.1047 -5.0769 -5.0714 -4.0408 -4.0106 -0.7991 -0.5048 -0.3585 -0.2969 0.6355 0.8937 0.9723 1.2554 1.4489 1.5364 2.4349 2.6264 3.1234 3.1301 3.2556 3.2587 3.8856 3.9078 3.9569 3.9669 4.2758 4.2789 4.4155 4.4438 4.6745 4.6789 4.8971 4.9126 4.9279 4.9464 5.0815 5.0958 5.3079 5.3094 5.8745 6.0430 9.1345 9.6178 9.7487 9.8975 10.5028 10.5862 11.8495 12.0393 12.6092 12.7256 13.0970 13.1314 13.6496 13.7273 k = 0.2969-0.1552-0.1118 ( 6871 PWs) bands (ev): -21.6687 -21.6687 -21.6415 -21.6415 -14.3593 -14.3525 -13.7632 -13.7502 -11.7354 -11.7054 -11.6553 -11.6488 -11.3698 -11.3500 -11.3044 -11.2980 -6.1941 -6.1655 -5.4215 -5.4048 -5.3840 -5.3614 -5.1953 -5.1751 -5.1438 -5.1296 -5.1182 -5.0983 -5.0779 -5.0716 -4.1179 -4.0867 -0.7546 -0.4573 -0.3182 -0.2516 0.6955 0.8848 0.9990 1.2162 1.3808 1.4673 2.4223 2.6200 3.1284 3.1357 3.2737 3.2768 3.8621 3.8818 3.9228 3.9339 4.2568 4.2604 4.3963 4.4277 4.6761 4.6815 4.8982 4.9114 4.9275 4.9454 5.0891 5.1045 5.2988 5.3011 5.8358 5.9951 9.2182 9.6854 9.8422 9.9850 10.5808 10.6577 11.8219 12.0390 12.5339 12.6599 13.0300 13.0693 13.6685 13.7408 k = 0.3125-0.1634-0.1177 ( 6865 PWs) bands (ev): -21.6683 -21.6683 -21.6417 -21.6417 -14.3446 -14.3375 -13.7848 -13.7717 -11.7258 -11.6955 -11.6461 -11.6392 -11.3806 -11.3604 -11.3143 -11.3078 -6.1460 -6.1171 -5.4174 -5.4036 -5.3813 -5.3614 -5.1955 -5.1720 -5.1411 -5.1300 -5.1138 -5.0917 -5.0781 -5.0710 -4.1942 -4.1622 -0.7083 -0.4082 -0.2760 -0.2043 0.7099 0.8927 1.0146 1.2162 1.3121 1.3974 2.4052 2.6091 3.1348 3.1427 3.2924 3.2956 3.8381 3.8548 3.8921 3.9035 4.2360 4.2409 4.3759 4.4095 4.6778 4.6839 4.8988 4.9098 4.9280 4.9458 5.0981 5.1142 5.2899 5.2937 5.7978 5.9478 9.3041 9.7529 9.9389 10.0743 10.6587 10.7288 11.7879 12.0340 12.4551 12.5903 12.9618 13.0070 13.6931 13.7599 k = 0.3281-0.1715-0.1236 ( 6863 PWs) bands (ev): -21.6679 -21.6679 -21.6420 -21.6420 -14.3293 -14.3220 -13.8065 -13.7935 -11.7158 -11.6855 -11.6367 -11.6294 -11.3915 -11.3711 -11.3243 -11.3177 -6.0965 -6.0676 -5.4148 -5.4021 -5.3790 -5.3606 -5.1964 -5.1694 -5.1393 -5.1314 -5.1096 -5.0867 -5.0758 -5.0687 -4.2693 -4.2369 -0.6602 -0.3575 -0.2318 -0.1550 0.6734 0.9427 0.9898 1.2391 1.2663 1.3285 2.3834 2.5936 3.1427 3.1512 3.3114 3.3148 3.8128 3.8262 3.8659 3.8765 4.2135 4.2201 4.3551 4.3898 4.6799 4.6865 4.8982 4.9076 4.9303 4.9474 5.1084 5.1245 5.2815 5.2875 5.7607 5.9012 9.3916 9.8199 10.0380 10.1648 10.7361 10.7993 11.7483 12.0244 12.3732 12.5170 12.8926 12.9449 13.7231 13.7843 k = 0.3438-0.1797-0.1295 ( 6864 PWs) bands (ev): -21.6675 -21.6675 -21.6422 -21.6422 -14.3136 -14.3060 -13.8284 -13.8155 -11.7056 -11.6754 -11.6271 -11.6195 -11.4025 -11.3819 -11.3345 -11.3279 -6.0459 -6.0173 -5.4141 -5.4007 -5.3768 -5.3586 -5.1983 -5.1682 -5.1395 -5.1313 -5.1065 -5.0852 -5.0696 -5.0640 -4.3428 -4.3104 -0.6105 -0.3055 -0.1857 -0.1038 0.6177 0.9302 1.0195 1.1762 1.2520 1.3396 2.3570 2.5734 3.1521 3.1612 3.3306 3.3341 3.7857 3.7970 3.8442 3.8534 4.1894 4.1981 4.3348 4.3693 4.6824 4.6892 4.8961 4.9044 4.9345 4.9502 5.1192 5.1345 5.2741 5.2831 5.7246 5.8557 9.4801 9.8860 10.1389 10.2560 10.8122 10.8689 11.7042 12.0103 12.2887 12.4400 12.8231 12.8832 13.7582 13.8137 k = 0.3594-0.1879-0.1354 ( 6858 PWs) bands (ev): -21.6671 -21.6671 -21.6425 -21.6424 -14.2974 -14.2896 -13.8502 -13.8375 -11.6952 -11.6654 -11.6174 -11.6094 -11.4134 -11.3929 -11.3447 -11.3380 -5.9944 -5.9663 -5.4152 -5.4007 -5.3737 -5.3555 -5.2012 -5.1696 -5.1409 -5.1293 -5.1047 -5.0855 -5.0610 -5.0568 -4.4142 -4.3823 -0.5593 -0.2521 -0.1379 -0.0510 0.5564 0.8744 1.0545 1.1394 1.1891 1.4150 2.3259 2.5483 3.1630 3.1728 3.3495 3.3530 3.7579 3.7684 3.8259 3.8334 4.1638 4.1748 4.3158 4.3488 4.6853 4.6922 4.8930 4.9004 4.9403 4.9541 5.1300 5.1436 5.2682 5.2811 5.6896 5.8114 9.5690 9.9503 10.2409 10.3472 10.8864 10.9370 11.6572 11.9916 12.2027 12.3598 12.7540 12.8222 13.7975 13.8478 k = 0.3750-0.1960-0.1412 ( 6865 PWs) bands (ev): -21.6668 -21.6668 -21.6427 -21.6427 -14.2810 -14.2731 -13.8718 -13.8594 -11.6846 -11.6555 -11.6077 -11.5994 -11.4241 -11.4039 -11.3549 -11.3482 -5.9423 -5.9152 -5.4178 -5.4030 -5.3692 -5.3513 -5.2054 -5.1745 -5.1411 -5.1268 -5.1039 -5.0865 -5.0510 -5.0473 -4.4831 -4.4523 -0.5066 -0.1978 -0.0885 0.0031 0.4934 0.8149 1.0072 1.0996 1.2126 1.4935 2.2904 2.5184 3.1755 3.1857 3.3674 3.3710 3.7309 3.7418 3.8101 3.8162 4.1372 4.1505 4.2984 4.3290 4.6886 4.6953 4.8892 4.8958 4.9470 4.9587 5.1399 5.1507 5.2647 5.2825 5.6559 5.7686 9.6574 10.0118 10.3435 10.4378 10.9577 11.0028 11.6094 11.9673 12.1172 12.2767 12.6861 12.7623 13.8404 13.8856 k = 0.3906-0.2042-0.1471 ( 6868 PWs) bands (ev): -21.6665 -21.6665 -21.6429 -21.6429 -14.2644 -14.2564 -13.8929 -13.8810 -11.6740 -11.6460 -11.5982 -11.5896 -11.4345 -11.4148 -11.3647 -11.3583 -5.8900 -5.8644 -5.4221 -5.4078 -5.3633 -5.3462 -5.2112 -5.1828 -5.1398 -5.1243 -5.1037 -5.0878 -5.0398 -5.0360 -4.5489 -4.5197 -0.4526 -0.1426 -0.0377 0.0580 0.4308 0.7546 0.9397 1.0295 1.2868 1.5721 2.2507 2.4838 3.1894 3.1998 3.3835 3.3873 3.7064 3.7181 3.7959 3.8009 4.1104 4.1255 4.2829 4.3104 4.6921 4.6985 4.8850 4.8910 4.9542 4.9639 5.1479 5.1554 5.2644 5.2877 5.6236 5.7273 9.7445 10.0693 10.4456 10.5272 11.0249 11.0650 11.5642 11.9329 12.0381 12.1913 12.6207 12.7038 13.8860 13.9265 k = 0.4062-0.2124-0.1530 ( 6864 PWs) bands (ev): -21.6662 -21.6662 -21.6431 -21.6431 -14.2479 -14.2400 -13.9133 -13.9019 -11.6636 -11.6371 -11.5889 -11.5801 -11.4444 -11.4254 -11.3742 -11.3680 -5.8379 -5.8143 -5.4282 -5.4147 -5.3565 -5.3403 -5.2186 -5.1937 -5.1376 -5.1221 -5.1037 -5.0891 -5.0273 -5.0230 -4.6111 -4.5840 -0.3973 -0.0870 0.0142 0.1122 0.3707 0.6947 0.8699 0.9575 1.3653 1.6491 2.2075 2.4447 3.2044 3.2148 3.3969 3.4005 3.6861 3.6983 3.7826 3.7873 4.0843 4.1004 4.2697 4.2935 4.6957 4.7017 4.8808 4.8861 4.9614 4.9693 5.1532 5.1575 5.2682 5.2966 5.5931 5.6878 9.8293 10.1212 10.5454 10.6151 11.0845 11.1230 11.5264 11.8776 11.9770 12.1045 12.5595 12.6473 13.9334 13.9694 k = 0.4219-0.2206-0.1589 ( 6863 PWs) bands (ev): -21.6660 -21.6660 -21.6432 -21.6432 -14.2317 -14.2241 -13.9325 -13.9219 -11.6534 -11.6290 -11.5800 -11.5712 -11.4534 -11.4357 -11.3831 -11.3773 -5.7868 -5.7656 -5.4365 -5.4237 -5.3492 -5.3334 -5.2282 -5.2061 -5.1350 -5.1204 -5.1036 -5.0905 -5.0132 -5.0083 -4.6689 -4.6446 -0.3408 -0.0315 0.0662 0.1601 0.3190 0.6360 0.8003 0.8856 1.4441 1.7230 2.1618 2.4012 3.2202 3.2304 3.4064 3.4097 3.6716 3.6838 3.7701 3.7747 4.0599 4.0761 4.2587 4.2786 4.6993 4.7046 4.8769 4.8814 4.9683 4.9746 5.1555 5.1575 5.2763 5.3086 5.5650 5.6503 9.9107 10.1655 10.6398 10.7025 11.1265 11.1811 11.5019 11.8024 11.9338 12.0181 12.5046 12.5935 13.9814 14.0130 k = 0.4375-0.2287-0.1648 ( 6863 PWs) bands (ev): -21.6658 -21.6658 -21.6434 -21.6434 -14.2164 -14.2093 -13.9500 -13.9406 -11.6436 -11.6222 -11.5718 -11.5632 -11.4611 -11.4453 -11.3910 -11.3858 -5.7374 -5.7194 -5.4473 -5.4350 -5.3416 -5.3254 -5.2398 -5.2191 -5.1322 -5.1194 -5.1032 -5.0920 -4.9973 -4.9917 -4.7219 -4.7009 -0.2832 0.0228 0.1157 0.1796 0.3001 0.5800 0.7322 0.8142 1.5216 1.7913 2.1160 2.3537 3.2363 3.2459 3.4113 3.4137 3.6640 3.6753 3.7580 3.7625 4.0382 4.0534 4.2499 4.2659 4.7027 4.7072 4.8734 4.8771 4.9747 4.9794 5.1552 5.1563 5.2880 5.3221 5.5399 5.6150 9.9870 10.2003 10.7241 10.7910 11.1428 11.2435 11.4925 11.7255 11.8895 11.9390 12.4586 12.5432 14.0286 14.0559 k = 0.4531-0.2369-0.1707 ( 6862 PWs) bands (ev): -21.6656 -21.6656 -21.6435 -21.6435 -14.2024 -14.1963 -13.9651 -13.9572 -11.6346 -11.6171 -11.5643 -11.5566 -11.4673 -11.4541 -11.3976 -11.3933 -5.6912 -5.6767 -5.4604 -5.4488 -5.3338 -5.3166 -5.2529 -5.2322 -5.1295 -5.1191 -5.1024 -5.0935 -4.9794 -4.9734 -4.7692 -4.7519 -0.2247 0.0705 0.1370 0.1783 0.3336 0.5290 0.6671 0.7439 1.5972 1.8471 2.0768 2.3026 3.2521 3.2605 3.4114 3.4130 3.6633 3.6729 3.7464 3.7504 4.0206 4.0334 4.2436 4.2555 4.7058 4.7093 4.8705 4.8734 4.9802 4.9836 5.1535 5.1547 5.3022 5.3351 5.5195 5.5825 10.0567 10.2232 10.7959 10.8774 11.1400 11.3082 11.4823 11.6698 11.8214 11.8840 12.4242 12.4976 14.0731 14.0957 k = 0.4688-0.2451-0.1766 ( 6862 PWs) bands (ev): -21.6655 -21.6655 -21.6436 -21.6436 -14.1908 -14.1862 -13.9767 -13.9709 -11.6267 -11.6141 -11.5580 -11.5519 -11.4712 -11.4616 -11.4025 -11.3994 -5.6502 -5.6396 -5.4749 -5.4650 -5.3254 -5.3081 -5.2652 -5.2452 -5.1270 -5.1197 -5.1012 -5.0950 -4.9597 -4.9537 -4.8098 -4.7965 -0.1654 0.0661 0.1447 0.2117 0.3864 0.4885 0.6078 0.6756 1.6700 1.8726 2.0621 2.2486 3.2662 3.2727 3.4080 3.4092 3.6681 3.6752 3.7355 3.7386 4.0079 4.0173 4.2395 4.2475 4.7083 4.7107 4.8685 4.8705 4.9845 4.9867 5.1518 5.1527 5.3174 5.3448 5.5061 5.5532 10.1176 10.2322 10.8564 10.9461 11.1406 11.3612 11.4534 11.6572 11.7439 11.8409 12.4036 12.4583 14.1121 14.1289 k = 0.4844-0.2532-0.1824 ( 6863 PWs) bands (ev): -21.6654 -21.6654 -21.6436 -21.6436 -14.1825 -14.1799 -13.9836 -13.9805 -11.6203 -11.6137 -11.5531 -11.5497 -11.4727 -11.4675 -11.4053 -11.4037 -5.6183 -5.6123 -5.4878 -5.4815 -5.3165 -5.3036 -5.2721 -5.2576 -5.1246 -5.1209 -5.0997 -5.0966 -4.9399 -4.9350 -4.8407 -4.8323 -0.1055 0.0133 0.1859 0.2301 0.4379 0.4676 0.5631 0.6116 1.7389 1.8517 2.0878 2.1926 3.2770 3.2806 3.4041 3.4048 3.6753 3.6794 3.7267 3.7284 4.0011 4.0060 4.2379 4.2419 4.7101 4.7113 4.8674 4.8685 4.9874 4.9884 5.1506 5.1512 5.3318 5.3479 5.5028 5.5287 10.1675 10.2260 10.9071 10.9683 11.1786 11.3303 11.4833 11.6306 11.7161 11.7969 12.3978 12.4271 14.1413 14.1506 k = 0.5000-0.2614-0.1883 ( 6870 PWs) bands (ev): -21.6654 -21.6654 -21.6436 -21.6436 -14.1786 -14.1786 -13.9850 -13.9850 -11.6158 -11.6158 -11.5502 -11.5502 -11.4714 -11.4714 -11.4057 -11.4057 -5.6034 -5.6034 -5.4915 -5.4915 -5.3079 -5.3079 -5.2681 -5.2681 -5.1226 -5.1226 -5.0982 -5.0982 -4.9276 -4.9276 -4.8511 -4.8511 -0.0456 -0.0456 0.2194 0.2194 0.4639 0.4639 0.5624 0.5624 1.8015 1.8015 2.1369 2.1369 3.2823 3.2823 3.4026 3.4026 3.6804 3.6804 3.7234 3.7234 4.0005 4.0005 4.2387 4.2387 4.7111 4.7111 4.8674 4.8674 4.9887 4.9887 5.1504 5.1504 5.3430 5.3430 5.5109 5.5109 10.2042 10.2042 10.9473 10.9473 11.2520 11.2520 11.5562 11.5562 11.7521 11.7521 12.4062 12.4062 14.1553 14.1553 k = 0.5000-0.2614-0.1883 ( 6870 PWs) bands (ev): -21.6654 -21.6654 -21.6436 -21.6436 -14.1786 -14.1786 -13.9850 -13.9850 -11.6158 -11.6158 -11.5502 -11.5502 -11.4714 -11.4714 -11.4057 -11.4057 -5.6034 -5.6034 -5.4915 -5.4915 -5.3079 -5.3079 -5.2681 -5.2681 -5.1226 -5.1226 -5.0982 -5.0982 -4.9276 -4.9276 -4.8511 -4.8511 -0.0456 -0.0456 0.2194 0.2194 0.4639 0.4639 0.5624 0.5624 1.8015 1.8015 2.1369 2.1369 3.2823 3.2823 3.4026 3.4026 3.6804 3.6804 3.7234 3.7234 4.0005 4.0005 4.2387 4.2387 4.7111 4.7111 4.8674 4.8674 4.9887 4.9887 5.1504 5.1504 5.3430 5.3430 5.5109 5.5109 10.2042 10.2042 10.9473 10.9473 11.2520 11.2520 11.5562 11.5562 11.7521 11.7521 12.4062 12.4062 14.1553 14.1553 k = 0.5000-0.2505-0.2034 ( 6856 PWs) bands (ev): -21.6654 -21.6654 -21.6436 -21.6436 -14.1786 -14.1785 -13.9849 -13.9849 -11.6219 -11.6109 -11.5574 -11.5448 -11.4751 -11.4661 -11.4093 -11.4013 -5.6057 -5.6000 -5.4951 -5.4872 -5.3128 -5.3033 -5.2732 -5.2623 -5.1247 -5.1207 -5.1006 -5.0953 -4.9308 -4.9234 -4.8533 -4.8484 -0.0590 -0.0424 0.2088 0.2230 0.4397 0.4834 0.5497 0.5868 1.7978 1.8104 2.1344 2.1430 3.2806 3.2814 3.3998 3.4009 3.6824 3.6830 3.7243 3.7255 4.0006 4.0024 4.2385 4.2395 4.7096 4.7103 4.8656 4.8662 4.9883 4.9898 5.1497 5.1502 5.3421 5.3450 5.5102 5.5125 10.1966 10.2076 10.9193 10.9707 11.2381 11.2547 11.5292 11.5807 11.7451 11.7764 12.3939 12.4240 14.1561 14.1567 k = 0.5000-0.2397-0.2184 ( 6852 PWs) bands (ev): -21.6654 -21.6654 -21.6436 -21.6436 -14.1784 -14.1783 -13.9848 -13.9847 -11.6289 -11.6076 -11.5656 -11.5421 -11.4766 -11.4601 -11.4118 -11.3964 -5.6070 -5.5956 -5.4981 -5.4823 -5.3179 -5.3001 -5.2767 -5.2563 -5.1269 -5.1193 -5.1023 -5.0922 -4.9332 -4.9185 -4.8549 -4.8451 -0.0815 -0.0496 0.1892 0.2197 0.4227 0.4807 0.5655 0.6130 1.7996 1.8242 2.1356 2.1525 3.2766 3.2781 3.3925 3.3946 3.6889 3.6900 3.7280 3.7303 4.0028 4.0063 4.2390 4.2409 4.7057 4.7072 4.8609 4.8620 4.9887 4.9915 5.1483 5.1492 5.3423 5.3481 5.5104 5.5148 10.1851 10.2068 10.8868 10.9892 11.2134 11.2476 11.5058 11.5978 11.7580 11.8130 12.3876 12.4468 14.1591 14.1604 k = 0.5000-0.2289-0.2335 ( 6846 PWs) bands (ev): -21.6654 -21.6654 -21.6436 -21.6436 -14.1781 -14.1780 -13.9845 -13.9844 -11.6367 -11.6063 -11.5742 -11.5426 -11.4753 -11.4538 -11.4132 -11.3911 -5.6072 -5.5901 -5.5005 -5.4769 -5.3230 -5.2995 -5.2773 -5.2502 -5.1291 -5.1186 -5.1031 -5.0889 -4.9346 -4.9129 -4.8559 -4.8412 -0.1115 -0.0660 0.1590 0.2084 0.4157 0.4691 0.5974 0.6380 1.8068 1.8425 2.1405 2.1651 3.2704 3.2726 3.3817 3.3847 3.6990 3.7006 3.7343 3.7377 4.0070 4.0122 4.2401 4.2430 4.6995 4.7018 4.8536 4.8550 4.9895 4.9934 5.1461 5.1473 5.3437 5.3522 5.5113 5.5179 10.1698 10.2017 10.8496 11.0018 11.1791 11.2341 11.4883 11.6087 11.7872 11.8577 12.3877 12.4742 14.1642 14.1662 k = 0.5000-0.2180-0.2485 ( 6862 PWs) bands (ev): -21.6654 -21.6654 -21.6436 -21.6436 -14.1777 -14.1776 -13.9841 -13.9840 -11.6451 -11.6074 -11.5824 -11.5461 -11.4715 -11.4475 -11.4133 -11.3855 -5.6064 -5.5835 -5.5023 -5.4708 -5.3280 -5.3020 -5.2745 -5.2440 -5.1312 -5.1189 -5.1028 -5.0857 -4.9349 -4.9067 -4.8563 -4.8368 -0.1473 -0.0901 0.1195 0.1876 0.4160 0.4637 0.6320 0.6604 1.8194 1.8645 2.1488 2.1804 3.2625 3.2653 3.3683 3.3720 3.7119 3.7140 3.7430 3.7474 4.0131 4.0201 4.2417 4.2455 4.6913 4.6943 4.8442 4.8458 4.9905 4.9952 5.1431 5.1446 5.3461 5.3573 5.5130 5.5218 10.1512 10.1923 10.8079 11.0049 11.1406 11.2187 11.4760 11.6181 11.8261 11.9069 12.3948 12.5056 14.1714 14.1741 k = 0.5000-0.2072-0.2636 ( 6852 PWs) bands (ev): -21.6653 -21.6653 -21.6436 -21.6436 -14.1772 -14.1770 -13.9836 -13.9834 -11.6540 -11.6115 -11.5894 -11.5518 -11.4659 -11.4414 -11.4119 -11.3798 -5.6047 -5.5760 -5.5036 -5.4643 -5.3329 -5.3062 -5.2696 -5.2380 -5.1331 -5.1198 -5.1015 -5.0827 -4.9341 -4.9000 -4.8560 -4.8319 -0.1873 -0.1202 0.0734 0.1575 0.4195 0.4681 0.6652 0.6803 1.8370 1.8899 2.1605 2.1981 3.2533 3.2566 3.3532 3.3575 3.7265 3.7293 3.7538 3.7591 4.0211 4.0299 4.2438 4.2484 4.6811 4.6848 4.8331 4.8346 4.9912 4.9964 5.1396 5.1411 5.3496 5.3634 5.5155 5.5263 10.1294 10.1789 10.7621 10.9902 11.1092 11.2039 11.4674 11.6281 11.8701 11.9577 12.4092 12.5407 14.1806 14.1840 k = 0.5000-0.1963-0.2787 ( 6854 PWs) bands (ev): -21.6653 -21.6653 -21.6436 -21.6436 -14.1766 -14.1764 -13.9830 -13.9828 -11.6631 -11.6185 -11.5953 -11.5589 -11.4594 -11.4354 -11.4093 -11.3741 -5.6023 -5.5676 -5.5043 -5.4573 -5.3378 -5.3110 -5.2638 -5.2321 -5.1349 -5.1211 -5.0998 -5.0798 -4.9321 -4.8927 -4.8550 -4.8265 -0.2303 -0.1552 0.0235 0.1197 0.4247 0.4802 0.6919 0.7013 1.8590 1.9179 2.1750 2.2176 3.2434 3.2472 3.3372 3.3421 3.7422 3.7454 3.7666 3.7724 4.0308 4.0413 4.2463 4.2516 4.6692 4.6735 4.8205 4.8220 4.9915 4.9969 5.1355 5.1369 5.3540 5.3703 5.5186 5.5315 10.1049 10.1617 10.7127 10.9511 11.0942 11.1910 11.4619 11.6391 11.9168 12.0080 12.4311 12.5790 14.1916 14.1958 k = 0.5000-0.1855-0.2937 ( 6852 PWs) bands (ev): -21.6653 -21.6653 -21.6435 -21.6435 -14.1759 -14.1756 -13.9823 -13.9821 -11.6724 -11.6274 -11.6008 -11.5670 -11.4524 -11.4296 -11.4056 -11.3685 -5.5991 -5.5583 -5.5046 -5.4499 -5.3425 -5.3160 -5.2576 -5.2264 -5.1363 -5.1226 -5.0978 -5.0773 -4.9289 -4.8850 -4.8532 -4.8206 -0.2753 -0.1937 -0.0283 0.0764 0.4314 0.4963 0.7067 0.7282 1.8849 1.9480 2.1921 2.2383 3.2333 3.2374 3.3212 3.3264 3.7582 3.7617 3.7813 3.7872 4.0423 4.0544 4.2490 4.2548 4.6558 4.6608 4.8069 4.8082 4.9909 4.9964 5.1308 5.1321 5.3593 5.3780 5.5223 5.5371 10.0781 10.1409 10.6605 10.8956 11.0900 11.1806 11.4589 11.6504 11.9647 12.0566 12.4603 12.6201 14.2042 14.2092 k = 0.5000-0.1746-0.3088 ( 6852 PWs) bands (ev): -21.6653 -21.6653 -21.6435 -21.6435 -14.1751 -14.1748 -13.9816 -13.9813 -11.6817 -11.6371 -11.6067 -11.5756 -11.4452 -11.4238 -11.4012 -11.3630 -5.5953 -5.5484 -5.5043 -5.4421 -5.3471 -5.3209 -5.2512 -5.2209 -5.1375 -5.1240 -5.0957 -5.0752 -4.9245 -4.8770 -4.8507 -4.8142 -0.3216 -0.2350 -0.0807 0.0295 0.4392 0.5141 0.7170 0.7537 1.9138 1.9793 2.2110 2.2598 3.2235 3.2279 3.3057 3.3111 3.7738 3.7777 3.7976 3.8033 4.0552 4.0689 4.2518 4.2581 4.6412 4.6468 4.7924 4.7936 4.9895 4.9947 5.1256 5.1269 5.3655 5.3864 5.5266 5.5432 10.0493 10.1170 10.6063 10.8327 11.0893 11.1725 11.4583 11.6614 12.0129 12.1029 12.4964 12.6635 14.2182 14.2241 k = 0.5000-0.1638-0.3238 ( 6860 PWs) bands (ev): -21.6652 -21.6652 -21.6435 -21.6435 -14.1742 -14.1739 -13.9807 -13.9804 -11.6910 -11.6472 -11.6131 -11.5846 -11.4381 -11.4179 -11.3964 -11.3578 -5.5910 -5.5380 -5.5036 -5.4341 -5.3517 -5.3257 -5.2448 -5.2156 -5.1383 -5.1253 -5.0936 -5.0735 -4.9191 -4.8688 -4.8473 -4.8073 -0.3684 -0.2784 -0.1327 -0.0194 0.4475 0.5323 0.7245 0.7765 1.9449 2.0112 2.2312 2.2813 3.2144 3.2191 3.2913 3.2969 3.7889 3.7932 3.8153 3.8203 4.0695 4.0845 4.2545 4.2610 4.6258 4.6319 4.7772 4.7783 4.9870 4.9919 5.1197 5.1213 5.3724 5.3955 5.5312 5.5497 10.0190 10.0904 10.5508 10.7668 11.0890 11.1664 11.4599 11.6718 12.0608 12.1466 12.5384 12.7087 14.2334 14.2403 k = 0.5000-0.1529-0.3389 ( 6870 PWs) bands (ev): -21.6652 -21.6652 -21.6434 -21.6434 -14.1732 -14.1729 -13.9798 -13.9795 -11.7002 -11.6573 -11.6201 -11.5938 -11.4312 -11.4120 -11.3913 -11.3528 -5.5863 -5.5274 -5.5022 -5.4258 -5.3562 -5.3303 -5.2384 -5.2105 -5.1389 -5.1265 -5.0917 -5.0722 -4.9128 -4.8604 -4.8431 -4.7999 -0.4151 -0.3231 -0.1837 -0.0693 0.4561 0.5500 0.7297 0.7964 1.9773 2.0430 2.2521 2.3023 3.2066 3.2116 3.2784 3.2841 3.8034 3.8081 3.8336 3.8380 4.0849 4.1011 4.2570 4.2635 4.6097 4.6164 4.7617 4.7627 4.9834 4.9878 5.1133 5.1156 5.3799 5.4051 5.5361 5.5563 9.9877 10.0616 10.4949 10.7000 11.0885 11.1619 11.4635 11.6812 12.1080 12.1880 12.5851 12.7551 14.2496 14.2576 k = 0.5000-0.1421-0.3539 ( 6884 PWs) bands (ev): -21.6652 -21.6652 -21.6434 -21.6434 -14.1722 -14.1719 -13.9788 -13.9785 -11.7092 -11.6673 -11.6275 -11.6030 -11.4245 -11.4061 -11.3863 -11.3480 -5.5814 -5.5174 -5.4998 -5.4175 -5.3606 -5.3348 -5.2321 -5.2055 -5.1390 -5.1276 -5.0900 -5.0712 -4.9056 -4.8521 -4.8379 -4.7921 -0.4614 -0.3685 -0.2333 -0.1192 0.4645 0.5669 0.7330 0.8135 2.0102 2.0741 2.2729 2.3221 3.2003 3.2057 3.2675 3.2732 3.8173 3.8227 3.8522 3.8560 4.1012 4.1184 4.2590 4.2652 4.5934 4.6005 4.7459 4.7469 4.9786 4.9826 5.1064 5.1097 5.3879 5.4152 5.5412 5.5631 9.9556 10.0310 10.4391 10.6334 11.0876 11.1584 11.4688 11.6895 12.1540 12.2273 12.6350 12.8024 14.2665 14.2756 k = 0.5000-0.1312-0.3690 ( 6886 PWs) bands (ev): -21.6651 -21.6651 -21.6434 -21.6434 -14.1712 -14.1708 -13.9778 -13.9775 -11.7179 -11.6771 -11.6352 -11.6123 -11.4180 -11.4002 -11.3813 -11.3436 -5.5764 -5.5095 -5.4947 -5.4091 -5.3648 -5.3391 -5.2262 -5.2006 -5.1389 -5.1284 -5.0884 -5.0705 -4.8979 -4.8437 -4.8319 -4.7839 -0.5066 -0.4140 -0.2809 -0.1685 0.4726 0.5828 0.7348 0.8280 2.0426 2.1036 2.2929 2.3402 3.1961 3.2018 3.2589 3.2648 3.8307 3.8367 3.8707 3.8741 4.1183 4.1361 4.2603 4.2661 4.5772 4.5848 4.7301 4.7311 4.9726 4.9764 5.0992 5.1036 5.3965 5.4258 5.5464 5.5698 9.9232 9.9992 10.3841 10.5678 11.0864 11.1555 11.4755 11.6968 12.1984 12.2649 12.6870 12.8499 14.2838 14.2942 k = 0.5000-0.1204-0.3840 ( 6888 PWs) bands (ev): -21.6651 -21.6651 -21.6433 -21.6433 -14.1701 -14.1697 -13.9768 -13.9765 -11.7262 -11.6866 -11.6431 -11.6215 -11.4118 -11.3945 -11.3766 -11.3394 -5.5715 -5.5051 -5.4861 -5.4007 -5.3688 -5.3432 -5.2206 -5.1957 -5.1384 -5.1290 -5.0872 -5.0701 -4.8897 -4.8355 -4.8249 -4.7754 -0.5503 -0.4589 -0.3264 -0.2166 0.4804 0.5975 0.7353 0.8402 2.0738 2.1311 2.3114 2.3560 3.1943 3.2003 3.2531 3.2591 3.8437 3.8502 3.8888 3.8919 4.1358 4.1539 4.2609 4.2661 4.5613 4.5694 4.7145 4.7156 4.9653 4.9693 5.0917 5.0973 5.4053 5.4366 5.5515 5.5765 9.8910 9.9668 10.3305 10.5040 11.0850 11.1528 11.4833 11.7030 12.2410 12.3009 12.7399 12.8971 14.3013 14.3131 k = 0.5000-0.1095-0.3991 ( 6890 PWs) bands (ev): -21.6651 -21.6651 -21.6433 -21.6433 -14.1690 -14.1686 -13.9757 -13.9754 -11.7342 -11.6956 -11.6510 -11.6305 -11.4059 -11.3890 -11.3720 -11.3356 -5.5666 -5.5026 -5.4756 -5.3926 -5.3725 -5.3471 -5.2155 -5.1908 -5.1376 -5.1294 -5.0863 -5.0698 -4.8814 -4.8273 -4.8173 -4.7666 -0.5921 -0.5027 -0.3695 -0.2630 0.4878 0.6110 0.7349 0.8503 2.1030 2.1559 2.3278 2.3692 3.1950 3.2014 3.2502 3.2565 3.8562 3.8631 3.9065 3.9093 4.1535 4.1714 4.2605 4.2652 4.5461 4.5547 4.6992 4.7004 4.9568 4.9615 5.0840 5.0908 5.4144 5.4475 5.5564 5.5830 9.8594 9.9341 10.2789 10.4423 11.0835 11.1503 11.4919 11.7082 12.2815 12.3353 12.7926 12.9435 14.3187 14.3319 k = 0.5000-0.0987-0.4141 ( 6882 PWs) bands (ev): -21.6650 -21.6650 -21.6433 -21.6432 -14.1679 -14.1675 -13.9747 -13.9743 -11.7416 -11.7042 -11.6588 -11.6392 -11.4003 -11.3837 -11.3678 -11.3322 -5.5620 -5.5009 -5.4649 -5.3851 -5.3755 -5.3508 -5.2109 -5.1860 -5.1366 -5.1295 -5.0857 -5.0697 -4.8731 -4.8192 -4.8092 -4.7577 -0.6317 -0.5447 -0.4100 -0.3073 0.4947 0.6233 0.7337 0.8585 2.1294 2.1777 2.3415 2.3797 3.1985 3.2052 3.2504 3.2572 3.8681 3.8754 3.9233 3.9261 4.1711 4.1882 4.2587 4.2643 4.5319 4.5409 4.6845 4.6858 4.9472 4.9528 5.0761 5.0841 5.4235 5.4585 5.5610 5.5891 9.8287 9.9019 10.2297 10.3834 11.0819 11.1476 11.5011 11.7125 12.3196 12.3679 12.8442 12.9886 14.3359 14.3505 k = 0.5000-0.0879-0.4292 ( 6886 PWs) bands (ev): -21.6650 -21.6650 -21.6432 -21.6432 -14.1668 -14.1664 -13.9736 -13.9733 -11.7485 -11.7122 -11.6664 -11.6477 -11.3950 -11.3788 -11.3638 -11.3291 -5.5578 -5.4996 -5.4546 -5.3810 -5.3750 -5.3541 -5.2068 -5.1811 -5.1355 -5.1291 -5.0854 -5.0696 -4.8650 -4.8113 -4.8007 -4.7486 -0.6687 -0.5845 -0.4478 -0.3492 0.5012 0.6343 0.7322 0.8651 2.1522 2.1962 2.3518 2.3873 3.2049 3.2119 3.2539 3.2613 3.8794 3.8870 3.9393 3.9421 4.1878 4.2035 4.2556 4.2644 4.5187 4.5282 4.6704 4.6718 4.9368 4.9435 5.0681 5.0772 5.4326 5.4693 5.5653 5.5949 9.7994 9.8706 10.1834 10.3276 11.0803 11.1448 11.5106 11.7159 12.3550 12.3986 12.8939 13.0317 14.3525 14.3685 k = 0.5000-0.0770-0.4443 ( 6884 PWs) bands (ev): -21.6650 -21.6649 -21.6432 -21.6432 -14.1657 -14.1654 -13.9726 -13.9723 -11.7549 -11.7197 -11.6737 -11.6559 -11.3901 -11.3743 -11.3602 -11.3264 -5.5540 -5.4985 -5.4454 -5.3818 -5.3700 -5.3562 -5.2031 -5.1765 -5.1342 -5.1283 -5.0855 -5.0696 -4.8572 -4.8037 -4.7919 -4.7397 -0.7028 -0.6215 -0.4826 -0.3882 0.5074 0.6441 0.7304 0.8703 2.1709 2.2114 2.3581 2.3924 3.2141 3.2215 3.2606 3.2688 3.8898 3.8977 3.9541 3.9572 4.2022 4.2165 4.2520 4.2669 4.5067 4.5165 4.6570 4.6587 4.9257 4.9336 5.0599 5.0701 5.4413 5.4798 5.5690 5.6002 9.7719 9.8407 10.1404 10.2752 11.0784 11.1418 11.5202 11.7185 12.3875 12.4270 12.9411 13.0723 14.3684 14.3857 k = 0.5000-0.0662-0.4593 ( 6886 PWs) bands (ev): -21.6649 -21.6649 -21.6431 -21.6431 -14.1647 -14.1644 -13.9716 -13.9713 -11.7606 -11.7265 -11.6807 -11.6636 -11.3856 -11.3701 -11.3568 -11.3241 -5.5507 -5.4977 -5.4380 -5.3821 -5.3680 -5.3547 -5.1998 -5.1723 -5.1329 -5.1269 -5.0858 -5.0697 -4.8499 -4.7967 -4.7828 -4.7309 -0.7336 -0.6555 -0.5143 -0.4241 0.5133 0.6527 0.7285 0.8743 2.1846 2.2236 2.3601 2.3951 3.2261 3.2338 3.2703 3.2794 3.8994 3.9075 3.9676 3.9710 4.2115 4.2261 4.2509 4.2733 4.4959 4.5060 4.6444 4.6465 4.9141 4.9232 5.0517 5.0628 5.4497 5.4897 5.5723 5.6050 9.7464 9.8128 10.1010 10.2268 11.0764 11.1386 11.5298 11.7204 12.4169 12.4529 12.9850 13.1099 14.3834 14.4020 k = 0.5000-0.0553-0.4744 ( 6884 PWs) bands (ev): -21.6649 -21.6649 -21.6431 -21.6431 -14.1637 -14.1634 -13.9706 -13.9704 -11.7657 -11.7327 -11.6872 -11.6708 -11.3815 -11.3664 -11.3538 -11.3221 -5.5480 -5.4971 -5.4330 -5.3807 -5.3697 -5.3496 -5.1968 -5.1686 -5.1315 -5.1251 -5.0863 -5.0698 -4.8431 -4.7905 -4.7736 -4.7225 -0.7608 -0.6860 -0.5425 -0.4567 0.5189 0.6599 0.7269 0.8771 2.1930 2.2329 2.3578 2.3958 3.2406 3.2488 3.2828 3.2928 3.9079 3.9161 3.9797 3.9834 4.2147 4.2282 4.2582 4.2836 4.4864 4.4966 4.6327 4.6352 4.9021 4.9124 5.0433 5.0553 5.4573 5.4988 5.5750 5.6093 9.7234 9.7874 10.0656 10.1826 11.0742 11.1351 11.5392 11.7216 12.4428 12.4759 13.0252 13.1439 14.3976 14.4173 k = 0.5000-0.0445-0.4894 ( 6892 PWs) bands (ev): -21.6648 -21.6648 -21.6431 -21.6431 -14.1628 -14.1625 -13.9698 -13.9695 -11.7700 -11.7381 -11.6933 -11.6775 -11.3778 -11.3631 -11.3512 -11.3205 -5.5459 -5.4969 -5.4307 -5.3781 -5.3719 -5.3434 -5.1941 -5.1656 -5.1297 -5.1229 -5.0869 -5.0701 -4.8369 -4.7851 -4.7646 -4.7145 -0.7843 -0.7126 -0.5673 -0.4856 0.5242 0.6658 0.7258 0.8791 2.1961 2.2395 2.3514 2.3944 3.2575 3.2660 3.2977 3.3086 3.9153 3.9235 3.9900 3.9941 4.2142 4.2250 4.2718 4.2960 4.4779 4.4882 4.6218 4.6247 4.8898 4.9013 5.0347 5.0476 5.4640 5.5066 5.5773 5.6132 9.7033 9.7648 10.0346 10.1431 11.0717 11.1314 11.5483 11.7221 12.4652 12.4958 13.0611 13.1739 14.4108 14.4314 k = 0.5000-0.0336-0.5045 ( 6892 PWs) bands (ev): -21.6648 -21.6648 -21.6430 -21.6430 -14.1620 -14.1617 -13.9689 -13.9687 -11.7736 -11.7428 -11.6988 -11.6837 -11.3746 -11.3603 -11.3489 -11.3193 -5.5445 -5.4970 -5.4307 -5.3787 -5.3696 -5.3372 -5.1916 -5.1634 -5.1275 -5.1203 -5.0876 -5.0704 -4.8315 -4.7806 -4.7559 -4.7071 -0.8038 -0.7352 -0.5883 -0.5107 0.5294 0.6702 0.7253 0.8803 2.1942 2.2430 2.3415 2.3907 3.2763 3.2853 3.3146 3.3264 3.9212 3.9293 3.9984 4.0029 4.2125 4.2211 4.2870 4.3093 4.4706 4.4808 4.6116 4.6151 4.8776 4.8901 5.0260 5.0395 5.4696 5.5130 5.5794 5.6166 9.6862 9.7455 10.0081 10.1084 11.0689 11.1273 11.5570 11.7219 12.4838 12.5121 13.0921 13.1995 14.4231 14.4445 k = 0.5000-0.0228-0.5195 ( 6894 PWs) bands (ev): -21.6648 -21.6648 -21.6430 -21.6430 -14.1612 -14.1609 -13.9682 -13.9680 -11.7765 -11.7467 -11.7037 -11.6892 -11.3718 -11.3580 -11.3469 -11.3185 -5.5437 -5.4975 -5.4323 -5.3821 -5.3637 -5.3312 -5.1893 -5.1620 -5.1250 -5.1176 -5.0884 -5.0707 -4.8270 -4.7772 -4.7477 -4.7004 -0.8190 -0.7535 -0.6054 -0.5317 0.5344 0.6731 0.7257 0.8809 2.1877 2.2433 2.3287 2.3848 3.2966 3.3063 3.3329 3.3456 3.9257 3.9335 4.0047 4.0096 4.2112 4.2184 4.3024 4.3226 4.4644 4.4742 4.6022 4.6060 4.8654 4.8788 5.0171 5.0312 5.4738 5.5174 5.5814 5.6196 9.6725 9.7300 9.9865 10.0788 11.0658 11.1230 11.5653 11.7212 12.4983 12.5247 13.1179 13.2201 14.4346 14.4565 k = 0.5000-0.0119-0.5346 ( 6888 PWs) bands (ev): -21.6648 -21.6648 -21.6430 -21.6430 -14.1606 -14.1603 -13.9676 -13.9674 -11.7785 -11.7499 -11.7080 -11.6940 -11.3694 -11.3561 -11.3454 -11.3181 -5.5435 -5.4984 -5.4350 -5.3860 -5.3571 -5.3255 -5.1872 -5.1614 -5.1223 -5.1146 -5.0892 -5.0712 -4.8235 -4.7748 -4.7402 -4.6946 -0.8298 -0.7672 -0.6185 -0.5485 0.5394 0.6745 0.7269 0.8809 2.1773 2.2400 2.3137 2.3768 3.3179 3.3285 3.3521 3.3661 3.9285 3.9360 4.0089 4.0141 4.2110 4.2175 4.3173 4.3356 4.4592 4.4687 4.5933 4.5976 4.8534 4.8676 5.0079 5.0226 5.4765 5.5195 5.5835 5.6223 9.6624 9.7184 9.9700 10.0547 11.0624 11.1184 11.5730 11.7198 12.5086 12.5333 13.1382 13.2356 14.4453 14.4675 k = 0.5000-0.0011-0.5496 ( 6890 PWs) bands (ev): -21.6647 -21.6647 -21.6430 -21.6430 -14.1600 -14.1598 -13.9670 -13.9669 -11.7797 -11.7522 -11.7116 -11.6982 -11.3675 -11.3548 -11.3441 -11.3180 -5.5439 -5.4998 -5.4383 -5.3902 -5.3504 -5.3202 -5.1853 -5.1614 -5.1194 -5.1115 -5.0899 -5.0717 -4.8210 -4.7735 -4.7335 -4.6898 -0.8361 -0.7762 -0.6274 -0.5610 0.5443 0.6748 0.7289 0.8804 2.1632 2.2326 2.2972 2.3667 3.3398 3.3516 3.3718 3.3872 3.9298 3.9367 4.0111 4.0165 4.2126 4.2189 4.3316 4.3479 4.4552 4.4640 4.5849 4.5894 4.8417 4.8566 4.9985 5.0135 5.4775 5.5192 5.5860 5.6248 9.6561 9.7110 9.9587 10.0361 11.0586 11.1136 11.5802 11.7179 12.5145 12.5377 13.1525 13.2455 14.4552 14.4778 k = 0.5000 0.0098-0.5647 ( 6888 PWs) bands (ev): -21.6647 -21.6647 -21.6430 -21.6430 -14.1595 -14.1593 -13.9666 -13.9665 -11.7802 -11.7536 -11.7145 -11.7016 -11.3661 -11.3539 -11.3433 -11.3184 -5.5450 -5.5016 -5.4419 -5.3944 -5.3440 -5.3153 -5.1837 -5.1620 -5.1165 -5.1083 -5.0906 -5.0721 -4.8196 -4.7733 -4.7279 -4.6860 -0.8377 -0.7805 -0.6320 -0.5690 0.5492 0.6741 0.7314 0.8795 2.1459 2.2208 2.2801 2.3547 3.3617 3.3750 3.3917 3.4088 3.9295 3.9357 4.0114 4.0168 4.2161 4.2224 4.3450 4.3593 4.4525 4.4605 4.5768 4.5816 4.8305 4.8457 4.9886 5.0040 5.4768 5.5165 5.5887 5.6270 9.6538 9.7081 9.9528 10.0233 11.0545 11.1085 11.5868 11.7154 12.5159 12.5379 13.1608 13.2498 14.4645 14.4872 k = 0.5000 0.0206-0.5797 ( 6884 PWs) bands (ev): -21.6647 -21.6647 -21.6429 -21.6429 -14.1592 -14.1590 -13.9663 -13.9662 -11.7797 -11.7543 -11.7166 -11.7042 -11.3653 -11.3536 -11.3428 -11.3192 -5.5466 -5.5039 -5.4457 -5.3987 -5.3380 -5.3108 -5.1824 -5.1630 -5.1138 -5.1052 -5.0912 -5.0726 -4.8194 -4.7742 -4.7234 -4.6833 -0.8347 -0.7798 -0.6323 -0.5725 0.5541 0.6728 0.7342 0.8782 2.1256 2.2042 2.2629 2.3409 3.3833 3.3980 3.4117 3.4304 3.9279 3.9333 4.0101 4.0154 4.2214 4.2279 4.3572 4.3698 4.4512 4.4583 4.5691 4.5739 4.8197 4.8351 4.9784 4.9940 5.4745 5.5117 5.5915 5.6290 9.6555 9.7096 9.9523 10.0164 11.0501 11.1032 11.5928 11.7124 12.5128 12.5338 13.1628 13.2483 14.4731 14.4960 k = 0.5000 0.0315-0.5948 ( 6894 PWs) bands (ev): -21.6647 -21.6647 -21.6429 -21.6429 -14.1590 -14.1588 -13.9661 -13.9660 -11.7785 -11.7541 -11.7180 -11.7061 -11.3649 -11.3539 -11.3426 -11.3204 -5.5487 -5.5067 -5.4495 -5.4031 -5.3327 -5.3067 -5.1814 -5.1645 -5.1111 -5.1021 -5.0916 -5.0731 -4.8203 -4.7764 -4.7201 -4.6818 -0.8269 -0.7743 -0.6283 -0.5715 0.5590 0.6710 0.7371 0.8766 2.1025 2.1830 2.2459 2.3254 3.4043 3.4199 3.4319 3.4516 3.9253 3.9297 4.0074 4.0126 4.2283 4.2350 4.3679 4.3790 4.4514 4.4575 4.5618 4.5665 4.8094 4.8246 4.9677 4.9833 5.4708 5.5053 5.5942 5.6305 9.6614 9.7156 9.9572 10.0155 11.0454 11.0977 11.5982 11.7088 12.5049 12.5253 13.1587 13.2411 14.4811 14.5042 k = 0.7405 0.1771-0.1585 ( 6894 PWs) bands (ev): -21.6647 -21.6647 -21.6429 -21.6429 -14.1590 -14.1588 -13.9661 -13.9660 -11.7785 -11.7541 -11.7180 -11.7061 -11.3649 -11.3539 -11.3426 -11.3204 -5.5487 -5.5067 -5.4495 -5.4031 -5.3327 -5.3067 -5.1814 -5.1645 -5.1111 -5.1021 -5.0916 -5.0731 -4.8203 -4.7764 -4.7201 -4.6818 -0.8269 -0.7743 -0.6283 -0.5715 0.5590 0.6710 0.7371 0.8766 2.1025 2.1830 2.2459 2.3254 3.4043 3.4199 3.4319 3.4516 3.9253 3.9297 4.0074 4.0126 4.2283 4.2350 4.3679 4.3790 4.4514 4.4575 4.5618 4.5665 4.8094 4.8246 4.9677 4.9833 5.4708 5.5053 5.5942 5.6305 9.6614 9.7156 9.9572 10.0155 11.0454 11.0977 11.5982 11.7088 12.5049 12.5253 13.1587 13.2411 14.4811 14.5042 k = 0.7309 0.1821-0.1434 ( 6894 PWs) bands (ev): -21.6647 -21.6647 -21.6429 -21.6429 -14.1588 -14.1587 -13.9660 -13.9658 -11.7764 -11.7530 -11.7187 -11.7071 -11.3650 -11.3546 -11.3429 -11.3220 -5.5513 -5.5100 -5.4533 -5.4074 -5.3279 -5.3029 -5.1808 -5.1662 -5.1087 -5.0992 -5.0918 -5.0734 -4.8225 -4.7796 -4.7180 -4.6815 -0.8144 -0.7640 -0.6198 -0.5659 0.5640 0.6689 0.7400 0.8747 2.0769 2.1576 2.2287 2.3083 3.4243 3.4399 3.4526 3.4721 3.9219 3.9252 4.0035 4.0085 4.2365 4.2433 4.3769 4.3869 4.4531 4.4583 4.5550 4.5594 4.7996 4.8144 4.9564 4.9720 5.4660 5.4976 5.5967 5.6317 9.6713 9.7261 9.9676 10.0206 11.0405 11.0921 11.6030 11.7047 12.4924 12.5126 13.1484 13.2282 14.4885 14.5118 k = 0.7212 0.1872-0.1284 ( 6888 PWs) bands (ev): -21.6647 -21.6647 -21.6429 -21.6429 -14.1588 -14.1587 -13.9660 -13.9658 -11.7736 -11.7512 -11.7185 -11.7073 -11.3656 -11.3559 -11.3436 -11.3240 -5.5543 -5.5137 -5.4570 -5.4117 -5.3237 -5.2995 -5.1806 -5.1682 -5.1065 -5.0969 -5.0915 -5.0738 -4.8257 -4.7838 -4.7172 -4.6824 -0.7973 -0.7487 -0.6070 -0.5558 0.5692 0.6667 0.7428 0.8725 2.0488 2.1289 2.2107 2.2897 3.4433 3.4578 3.4733 3.4917 3.9181 3.9204 3.9985 4.0034 4.2456 4.2526 4.3839 4.3934 4.4559 4.4606 4.5490 4.5531 4.7902 4.8044 4.9445 4.9599 5.4602 5.4890 5.5987 5.6323 9.6854 9.7409 9.9834 10.0316 11.0354 11.0865 11.6073 11.7001 12.4753 12.4957 13.1322 13.2098 14.4953 14.5190 k = 0.7116 0.1922-0.1133 ( 6882 PWs) bands (ev): -21.6647 -21.6647 -21.6429 -21.6429 -14.1590 -14.1588 -13.9661 -13.9659 -11.7699 -11.7485 -11.7175 -11.7067 -11.3668 -11.3577 -11.3447 -11.3264 -5.5578 -5.5179 -5.4605 -5.4159 -5.3202 -5.2965 -5.1808 -5.1704 -5.1047 -5.0955 -5.0904 -5.0740 -4.8301 -4.7891 -4.7177 -4.6845 -0.7756 -0.7288 -0.5900 -0.5413 0.5744 0.6645 0.7453 0.8700 2.0184 2.0974 2.1916 2.2696 3.4610 3.4740 3.4933 3.5099 3.9141 3.9155 3.9925 3.9973 4.2553 4.2625 4.3893 4.3988 4.4592 4.4640 4.5444 4.5478 4.7813 4.7946 4.9320 4.9470 5.4539 5.4800 5.6002 5.6325 9.7034 9.7600 10.0043 10.0487 11.0301 11.0808 11.6109 11.6951 12.4536 12.4746 13.1102 13.1860 14.5015 14.5256 k = 0.7020 0.1972-0.0982 ( 6876 PWs) bands (ev): -21.6647 -21.6647 -21.6429 -21.6429 -14.1592 -14.1590 -13.9663 -13.9661 -11.7654 -11.7451 -11.7158 -11.7053 -11.3685 -11.3600 -11.3462 -11.3293 -5.5615 -5.5225 -5.4639 -5.4200 -5.3171 -5.2939 -5.1815 -5.1728 -5.1033 -5.0949 -5.0885 -5.0741 -4.8354 -4.7951 -4.7194 -4.6878 -0.7495 -0.7042 -0.5688 -0.5225 0.5797 0.6621 0.7475 0.8672 1.9858 2.0634 2.1712 2.2482 3.4775 3.4889 3.5120 3.5267 3.9100 3.9111 3.9856 3.9903 4.2655 4.2728 4.3936 4.4031 4.4620 4.4675 4.5417 4.5444 4.7728 4.7850 4.9189 4.9333 5.4473 5.4709 5.6013 5.6322 9.7251 9.7830 10.0302 10.0715 11.0248 11.0752 11.6140 11.6896 12.4277 12.4496 13.0828 13.1573 14.5071 14.5319 k = 0.6924 0.2022-0.0832 ( 6878 PWs) bands (ev): -21.6647 -21.6647 -21.6429 -21.6429 -14.1595 -14.1594 -13.9666 -13.9664 -11.7602 -11.7410 -11.7132 -11.7031 -11.3708 -11.3629 -11.3481 -11.3325 -5.5656 -5.5274 -5.4671 -5.4240 -5.3146 -5.2916 -5.1828 -5.1752 -5.1024 -5.0946 -5.0865 -5.0742 -4.8415 -4.8020 -4.7223 -4.6921 -0.7191 -0.6751 -0.5436 -0.4995 0.5852 0.6598 0.7492 0.8640 1.9510 2.0273 2.1493 2.2255 3.4927 3.5025 3.5291 3.5418 3.9057 3.9073 3.9779 3.9824 4.2759 4.2832 4.3973 4.4067 4.4632 4.4697 4.5414 4.5436 4.7646 4.7757 4.9052 4.9188 5.4408 5.4620 5.6018 5.6313 9.7505 9.8097 10.0609 10.1000 11.0195 11.0697 11.6165 11.6837 12.3976 12.4208 13.0504 13.1238 14.5123 14.5377 k = 0.6828 0.2073-0.0681 ( 6878 PWs) bands (ev): -21.6647 -21.6647 -21.6429 -21.6429 -14.1599 -14.1598 -13.9671 -13.9668 -11.7543 -11.7361 -11.7099 -11.7001 -11.3736 -11.3663 -11.3505 -11.3362 -5.5698 -5.5326 -5.4701 -5.4278 -5.3126 -5.2897 -5.1847 -5.1776 -5.1020 -5.0943 -5.0845 -5.0742 -4.8484 -4.8095 -4.7263 -4.6975 -0.6847 -0.6418 -0.5146 -0.4725 0.5908 0.6575 0.7505 0.8605 1.9141 1.9890 2.1260 2.2015 3.5067 3.5151 3.5444 3.5551 3.9017 3.9040 3.9694 3.9738 4.2865 4.2937 4.4008 4.4099 4.4623 4.4699 4.5436 4.5461 4.7568 4.7667 4.8909 4.9035 5.4346 5.4536 5.6020 5.6301 9.7793 9.8399 10.0961 10.1338 11.0144 11.0645 11.6186 11.6774 12.3637 12.3882 13.0135 13.0859 14.5172 14.5433 k = 0.6731 0.2123-0.0530 ( 6894 PWs) bands (ev): -21.6647 -21.6647 -21.6429 -21.6429 -14.1604 -14.1603 -13.9675 -13.9673 -11.7478 -11.7307 -11.7057 -11.6963 -11.3769 -11.3702 -11.3533 -11.3403 -5.5743 -5.5380 -5.4728 -5.4314 -5.3109 -5.2880 -5.1871 -5.1800 -5.1020 -5.0942 -5.0827 -5.0742 -4.8558 -4.8174 -4.7313 -4.7037 -0.6464 -0.6045 -0.4820 -0.4417 0.5965 0.6552 0.7511 0.8565 1.8752 1.9488 2.1012 2.1762 3.5196 3.5266 3.5579 3.5668 3.8980 3.9008 3.9602 3.9645 4.2972 4.3040 4.4044 4.4130 4.4591 4.4679 4.5482 4.5514 4.7495 4.7583 4.8762 4.8876 5.4289 5.4459 5.6017 5.6285 9.8111 9.8731 10.1354 10.1726 11.0096 11.0597 11.6201 11.6708 12.3263 12.3522 12.9723 13.0440 14.5217 14.5486 k = 0.6635 0.2173-0.0380 ( 6900 PWs) bands (ev): -21.6647 -21.6647 -21.6430 -21.6430 -14.1610 -14.1608 -13.9681 -13.9678 -11.7406 -11.7246 -11.7007 -11.6917 -11.3807 -11.3746 -11.3565 -11.3448 -5.5788 -5.5436 -5.4753 -5.4348 -5.3095 -5.2867 -5.1900 -5.1825 -5.1024 -5.0943 -5.0811 -5.0743 -4.8635 -4.8257 -4.7371 -4.7108 -0.6046 -0.5634 -0.4460 -0.4073 0.6024 0.6529 0.7510 0.8520 1.8344 1.9068 2.0749 2.1497 3.5314 3.5373 3.5696 3.5769 3.8945 3.8977 3.9505 3.9547 4.3079 4.3142 4.4080 4.4158 4.4544 4.4640 4.5546 4.5585 4.7428 4.7507 4.8612 4.8712 5.4238 5.4390 5.6012 5.6266 9.8457 9.9091 10.1787 10.2161 11.0052 11.0554 11.6212 11.6639 12.2855 12.3130 12.9274 12.9985 14.5260 14.5537 k = 0.6539 0.2224-0.0229 ( 6908 PWs) bands (ev): -21.6647 -21.6647 -21.6430 -21.6430 -14.1616 -14.1614 -13.9687 -13.9684 -11.7328 -11.7181 -11.6950 -11.6864 -11.3851 -11.3795 -11.3602 -11.3496 -5.5834 -5.5493 -5.4775 -5.4380 -5.3084 -5.2857 -5.1932 -5.1852 -5.1030 -5.0947 -5.0798 -5.0743 -4.8713 -4.8342 -4.7437 -4.7185 -0.5596 -0.5188 -0.4070 -0.3696 0.6083 0.6505 0.7502 0.8470 1.7918 1.8631 2.0474 2.1221 3.5422 3.5473 3.5796 3.5855 3.8910 3.8944 3.9404 3.9445 4.3186 4.3243 4.4112 4.4181 4.4493 4.4591 4.5621 4.5665 4.7368 4.7439 4.8461 4.8545 5.4195 5.4331 5.6006 5.6245 9.8827 9.9475 10.2255 10.2637 11.0013 11.0517 11.6219 11.6567 12.2418 12.2708 12.8793 12.9497 14.5303 14.5586 k = 0.6443 0.2274-0.0078 ( 6918 PWs) bands (ev): -21.6648 -21.6648 -21.6430 -21.6430 -14.1623 -14.1621 -13.9694 -13.9691 -11.7246 -11.7111 -11.6884 -11.6805 -11.3901 -11.3850 -11.3642 -11.3549 -5.5879 -5.5551 -5.4795 -5.4409 -5.3075 -5.2848 -5.1967 -5.1881 -5.1039 -5.0955 -5.0788 -5.0745 -4.8790 -4.8428 -4.7509 -4.7267 -0.5116 -0.4710 -0.3651 -0.3287 0.6142 0.6481 0.7483 0.8412 1.7474 1.8177 2.0187 2.0934 3.5521 3.5565 3.5881 3.5930 3.8873 3.8909 3.9300 3.9341 4.3293 4.3341 4.4129 4.4186 4.4455 4.4545 4.5699 4.5745 4.7316 4.7383 4.8310 4.8378 5.4159 5.4281 5.5998 5.6223 9.9218 9.9877 10.2755 10.3149 10.9983 11.0489 11.6220 11.6493 12.1955 12.2259 12.8285 12.8981 14.5345 14.5634 k = 0.6347 0.2324 0.0072 ( 6916 PWs) bands (ev): -21.6648 -21.6648 -21.6430 -21.6430 -14.1630 -14.1628 -13.9701 -13.9698 -11.7159 -11.7038 -11.6811 -11.6738 -11.3955 -11.3909 -11.3686 -11.3604 -5.5924 -5.5609 -5.4812 -5.4436 -5.3067 -5.2842 -5.2004 -5.1912 -5.1050 -5.0967 -5.0780 -5.0747 -4.8865 -4.8512 -4.7585 -4.7353 -0.4611 -0.4204 -0.3209 -0.2850 0.6202 0.6456 0.7454 0.8346 1.7015 1.7709 1.9892 2.0637 3.5611 3.5652 3.5953 3.5994 3.8833 3.8870 3.9197 3.9238 4.3395 4.3435 4.4116 4.4162 4.4450 4.4517 4.5774 4.5822 4.7275 4.7340 4.8163 4.8215 5.4132 5.4242 5.5990 5.6201 9.9625 10.0294 10.3284 10.3693 10.9962 11.0471 11.6216 11.6419 12.1468 12.1787 12.7754 12.8442 14.5387 14.5682 k = 0.6250 0.2374 0.0223 ( 6912 PWs) bands (ev): -21.6648 -21.6648 -21.6430 -21.6430 -14.1638 -14.1635 -13.9708 -13.9705 -11.7069 -11.6962 -11.6731 -11.6665 -11.4015 -11.3974 -11.3734 -11.3663 -5.5967 -5.5666 -5.4825 -5.4461 -5.3058 -5.2837 -5.2043 -5.1947 -5.1062 -5.0983 -5.0776 -5.0750 -4.8936 -4.8594 -4.7663 -4.7441 -0.4085 -0.3672 -0.2746 -0.2388 0.6259 0.6432 0.7413 0.8272 1.6543 1.7227 1.9589 2.0332 3.5695 3.5734 3.6014 3.6049 3.8789 3.8827 3.9094 3.9136 4.3487 4.3524 4.4066 4.4113 4.4479 4.4518 4.5841 4.5888 4.7245 4.7311 4.8022 4.8060 5.4113 5.4211 5.5982 5.6179 10.0044 10.0720 10.3836 10.4262 10.9954 11.0465 11.6202 11.6349 12.0961 12.1293 12.7205 12.7882 14.5430 14.5728 k = 0.6154 0.2425 0.0374 ( 6918 PWs) bands (ev): -21.6648 -21.6648 -21.6430 -21.6430 -14.1645 -14.1643 -13.9716 -13.9713 -11.6977 -11.6884 -11.6645 -11.6586 -11.4080 -11.4043 -11.3785 -11.3725 -5.6008 -5.5722 -5.4835 -5.4485 -5.3050 -5.2834 -5.2084 -5.1985 -5.1076 -5.1003 -5.0775 -5.0755 -4.9001 -4.8674 -4.7742 -4.7530 -0.3542 -0.3121 -0.2266 -0.1904 0.6308 0.6413 0.7358 0.8186 1.6060 1.6734 1.9283 2.0021 3.5773 3.5811 3.6065 3.6098 3.8741 3.8780 3.8996 3.9039 4.3551 4.3595 4.4008 4.4059 4.4523 4.4546 4.5895 4.5941 4.7226 4.7294 4.7889 4.7918 5.4100 5.4188 5.5975 5.6158 10.0471 10.1150 10.4406 10.4851 10.9962 11.0474 11.6169 11.6293 12.0437 12.0782 12.6644 12.7308 14.5475 14.5773 k = 0.6058 0.2475 0.0524 ( 6926 PWs) bands (ev): -21.6648 -21.6648 -21.6431 -21.6431 -14.1653 -14.1650 -13.9723 -13.9720 -11.6883 -11.6805 -11.6552 -11.6502 -11.4149 -11.4117 -11.3839 -11.3788 -5.6047 -5.5777 -5.4842 -5.4507 -5.3040 -5.2831 -5.2126 -5.2026 -5.1091 -5.1026 -5.0776 -5.0761 -4.9059 -4.8749 -4.7820 -4.7618 -0.2988 -0.2555 -0.1773 -0.1402 0.6323 0.6421 0.7288 0.8089 1.5569 1.6233 1.8978 1.9706 3.5845 3.5883 3.6109 3.6140 3.8689 3.8728 3.8904 3.8947 4.3557 4.3617 4.3987 4.4040 4.4571 4.4592 4.5933 4.5977 4.7218 4.7289 4.7765 4.7795 5.4094 5.4173 5.5970 5.6138 10.0900 10.1576 10.4990 10.5453 10.9989 11.0501 11.6110 11.6259 11.9900 12.0258 12.6076 12.6724 14.5521 14.5816 k = 0.5962 0.2525 0.0675 ( 6930 PWs) bands (ev): -21.6648 -21.6648 -21.6431 -21.6431 -14.1660 -14.1658 -13.9730 -13.9727 -11.6789 -11.6725 -11.6455 -11.6413 -11.4223 -11.4195 -11.3895 -11.3853 -5.6082 -5.5829 -5.4846 -5.4527 -5.3027 -5.2827 -5.2170 -5.2071 -5.1107 -5.1051 -5.0780 -5.0768 -4.9109 -4.8819 -4.7894 -4.7705 -0.2428 -0.1980 -0.1269 -0.0884 0.6299 0.6461 0.7203 0.7979 1.5075 1.5726 1.8678 1.9390 3.5912 3.5950 3.6147 3.6177 3.8635 3.8674 3.8820 3.8861 4.3494 4.3563 4.4029 4.4080 4.4617 4.4647 4.5953 4.5993 4.7220 4.7294 4.7657 4.7693 5.4093 5.4164 5.5966 5.6119 10.1325 10.1993 10.5580 10.6061 11.0039 11.0548 11.6033 11.6238 11.9353 11.9724 12.5508 12.6136 14.5568 14.5857 k = 0.5866 0.2576 0.0826 ( 6926 PWs) bands (ev): -21.6649 -21.6649 -21.6431 -21.6431 -14.1667 -14.1665 -13.9737 -13.9734 -11.6696 -11.6645 -11.6353 -11.6319 -11.4301 -11.4278 -11.3952 -11.3919 -5.6114 -5.5880 -5.4846 -5.4547 -5.3012 -5.2823 -5.2216 -5.2118 -5.1124 -5.1078 -5.0786 -5.0776 -4.9151 -4.8884 -4.7965 -4.7788 -0.1867 -0.1406 -0.0756 -0.0355 0.6258 0.6501 0.7106 0.7855 1.4582 1.5217 1.8389 1.9076 3.5975 3.6012 3.6179 3.6208 3.8581 3.8619 3.8744 3.8782 4.3390 4.3456 4.4113 4.4161 4.4664 4.4701 4.5951 4.5987 4.7228 4.7305 4.7570 4.7614 5.4096 5.4160 5.5964 5.6103 10.1741 10.2392 10.6168 10.6669 11.0117 11.0620 11.5947 11.6220 11.8801 11.9187 12.4947 12.5550 14.5616 14.5895 k = 0.5770 0.2626 0.0976 ( 6932 PWs) bands (ev): -21.6649 -21.6649 -21.6431 -21.6431 -14.1673 -14.1672 -13.9743 -13.9741 -11.6605 -11.6567 -11.6248 -11.6222 -11.4384 -11.4363 -11.4010 -11.3985 -5.6141 -5.5928 -5.4843 -5.4566 -5.2993 -5.2818 -5.2262 -5.2169 -5.1141 -5.1105 -5.0793 -5.0785 -4.9186 -4.8943 -4.8030 -4.7867 -0.1315 -0.0843 -0.0235 0.0179 0.6205 0.6522 0.7005 0.7718 1.4097 1.4712 1.8116 1.8769 3.6032 3.6068 3.6207 3.6234 3.8532 3.8567 3.8677 3.8711 4.3267 4.3330 4.4213 4.4260 4.4709 4.4753 4.5930 4.5959 4.7241 4.7319 4.7508 4.7557 5.4103 5.4159 5.5964 5.6087 10.2141 10.2765 10.6747 10.7265 11.0227 11.0720 11.5858 11.6200 11.8248 11.8650 12.4401 12.4973 14.5664 14.5929 k = 0.5673 0.2676 0.1127 ( 6932 PWs) bands (ev): -21.6649 -21.6649 -21.6431 -21.6431 -14.1680 -14.1678 -13.9749 -13.9747 -11.6519 -11.6491 -11.6141 -11.6122 -11.4469 -11.4452 -11.4067 -11.4049 -5.6164 -5.5974 -5.4836 -5.4585 -5.2970 -5.2811 -5.2310 -5.2222 -5.1157 -5.1132 -5.0801 -5.0795 -4.9212 -4.8996 -4.8088 -4.7941 -0.0779 -0.0307 0.0297 0.0714 0.6138 0.6494 0.6927 0.7571 1.3629 1.4216 1.7865 1.8474 3.6085 3.6118 3.6232 3.6256 3.8488 3.8518 3.8617 3.8647 4.3141 4.3198 4.4316 4.4364 4.4753 4.4799 4.5889 4.5913 4.7257 4.7330 4.7472 4.7520 5.4112 5.4162 5.5965 5.6074 10.2520 10.3106 10.7306 10.7839 11.0373 11.0853 11.5764 11.6176 11.7699 11.8121 12.3880 12.4413 14.5712 14.5958 k = 0.5577 0.2726 0.1278 ( 6932 PWs) bands (ev): -21.6649 -21.6649 -21.6432 -21.6432 -14.1685 -14.1683 -13.9755 -13.9753 -11.6438 -11.6419 -11.6034 -11.6020 -11.4557 -11.4543 -11.4123 -11.4110 -5.6183 -5.6016 -5.4827 -5.4604 -5.2942 -5.2801 -5.2358 -5.2277 -5.1174 -5.1156 -5.0809 -5.0805 -4.9232 -4.9044 -4.8138 -4.8008 -0.0269 0.0185 0.0841 0.1244 0.6052 0.6385 0.6899 0.7420 1.3187 1.3738 1.7642 1.8195 3.6132 3.6161 3.6253 3.6273 3.8451 3.8476 3.8565 3.8592 4.3018 4.3069 4.4419 4.4467 4.4794 4.4840 4.5831 4.5853 4.7274 4.7335 4.7461 4.7501 5.4123 5.4165 5.5968 5.6061 10.2871 10.3405 10.7834 10.8374 11.0559 11.1020 11.5667 11.6140 11.7165 11.7611 12.3393 12.3880 14.5759 14.5980 k = 0.5481 0.2777 0.1428 ( 6926 PWs) bands (ev): -21.6649 -21.6649 -21.6432 -21.6432 -14.1690 -14.1688 -13.9759 -13.9757 -11.6365 -11.6352 -11.5927 -11.5918 -11.4646 -11.4636 -11.4175 -11.4167 -5.6196 -5.6054 -5.4815 -5.4624 -5.2910 -5.2789 -5.2405 -5.2334 -5.1188 -5.1178 -5.0817 -5.0815 -4.9244 -4.9086 -4.8180 -4.8069 0.0204 0.0619 0.1392 0.1763 0.5939 0.6202 0.6909 0.7275 1.2784 1.3286 1.7452 1.7937 3.6173 3.6197 3.6272 3.6287 3.8422 3.8440 3.8520 3.8545 4.2905 4.2949 4.4516 4.4564 4.4833 4.4875 4.5763 4.5785 4.7290 4.7335 4.7468 4.7494 5.4134 5.4169 5.5972 5.6050 10.3188 10.3657 10.8321 10.8851 11.0790 11.1222 11.5563 11.6079 11.6667 11.7132 12.2955 12.3385 14.5803 14.5996 k = 0.5385 0.2827 0.1579 ( 6930 PWs) bands (ev): -21.6649 -21.6649 -21.6432 -21.6432 -14.1694 -14.1693 -13.9763 -13.9762 -11.6302 -11.6293 -11.5824 -11.5819 -11.4734 -11.4727 -11.4221 -11.4217 -5.6204 -5.6089 -5.4800 -5.4644 -5.2874 -5.2774 -5.2451 -5.2391 -5.1202 -5.1196 -5.0825 -5.0823 -4.9251 -4.9123 -4.8212 -4.8121 0.0628 0.0987 0.1937 0.2260 0.5790 0.5970 0.6931 0.7149 1.2435 1.2872 1.7301 1.7706 3.6208 3.6224 3.6288 3.6298 3.8399 3.8411 3.8484 3.8507 4.2807 4.2844 4.4605 4.4650 4.4871 4.4905 4.5690 4.5714 4.7304 4.7336 4.7481 4.7495 5.4145 5.4173 5.5977 5.6040 10.3465 10.3858 10.8754 10.9247 11.1062 11.1455 11.5444 11.5910 11.6298 11.6708 12.2578 12.2941 14.5845 14.6005 k = 0.5289 0.2877 0.1730 ( 6922 PWs) bands (ev): -21.6649 -21.6649 -21.6432 -21.6432 -14.1697 -14.1696 -13.9766 -13.9765 -11.6250 -11.6244 -11.5727 -11.5725 -11.4819 -11.4814 -11.4261 -11.4259 -5.6207 -5.6120 -5.4784 -5.4664 -5.2835 -5.2757 -5.2494 -5.2447 -5.1213 -5.1210 -5.0831 -5.0830 -4.9251 -4.9155 -4.8235 -4.8166 0.0991 0.1276 0.2459 0.2722 0.5603 0.5706 0.6952 0.7055 1.2156 1.2510 1.7192 1.7506 3.6234 3.6242 3.6301 3.6308 3.8383 3.8388 3.8458 3.8478 4.2727 4.2756 4.4681 4.4719 4.4911 4.4933 4.5619 4.5644 4.7317 4.7338 4.7494 4.7500 5.4155 5.4176 5.5983 5.6030 10.3698 10.4003 10.9124 10.9543 11.1366 11.1700 11.5294 11.5560 11.6151 11.6371 12.2277 12.2563 14.5884 14.6007 k = 0.5192 0.2928 0.1880 ( 6906 PWs) bands (ev): -21.6649 -21.6649 -21.6432 -21.6432 -14.1699 -14.1698 -13.9768 -13.9767 -11.6211 -11.6207 -11.5643 -11.5642 -11.4894 -11.4891 -11.4291 -11.4290 -5.6205 -5.6147 -5.4766 -5.4685 -5.2794 -5.2739 -5.2532 -5.2499 -5.1221 -5.1220 -5.0836 -5.0835 -4.9247 -4.9182 -4.8248 -4.8201 0.1278 0.1478 0.2932 0.3125 0.5389 0.5433 0.6964 0.6997 1.1963 1.2214 1.7129 1.7344 3.6252 3.6255 3.6311 3.6317 3.8370 3.8372 3.8442 3.8457 4.2670 4.2689 4.4739 4.4766 4.4951 4.4960 4.5559 4.5581 4.7327 4.7340 4.7504 4.7506 5.4163 5.4178 5.5990 5.6021 10.3883 10.4091 10.9422 10.9728 11.1671 11.1924 11.5112 11.5204 11.6082 11.6152 12.2066 12.2263 14.5918 14.6002 k = 0.5096 0.2978 0.2031 ( 6894 PWs) bands (ev): -21.6649 -21.6649 -21.6432 -21.6432 -14.1700 -14.1700 -13.9769 -13.9769 -11.6186 -11.6185 -11.5583 -11.5583 -11.4949 -11.4947 -11.4310 -11.4310 -5.6198 -5.6169 -5.4746 -5.4706 -5.2757 -5.2727 -5.2559 -5.2541 -5.1226 -5.1226 -5.0839 -5.0839 -4.9237 -4.9205 -4.8251 -4.8227 0.1478 0.1581 0.3307 0.3415 0.5192 0.5200 0.6966 0.6971 1.1870 1.2001 1.7113 1.7222 3.6261 3.6262 3.6318 3.6322 3.8361 3.8362 3.8435 3.8444 4.2636 4.2646 4.4777 4.4791 4.4982 4.4983 4.5520 4.5533 4.7334 4.7341 4.7511 4.7511 5.4170 5.4177 5.5997 5.6013 10.4016 10.4122 10.9641 10.9802 11.1929 11.2070 11.4940 11.4952 11.6037 11.6046 12.1956 12.2057 14.5948 14.5990 k = 0.5000 0.3028 0.2182 ( 6896 PWs) bands (ev): -21.6649 -21.6649 -21.6432 -21.6432 -14.1701 -14.1701 -13.9770 -13.9770 -11.6177 -11.6177 -11.5560 -11.5560 -11.4970 -11.4970 -11.4317 -11.4317 -5.6186 -5.6186 -5.4726 -5.4726 -5.2731 -5.2731 -5.2564 -5.2564 -5.1228 -5.1228 -5.0840 -5.0840 -4.9224 -4.9224 -4.8244 -4.8244 0.1581 0.1581 0.3495 0.3495 0.5102 0.5102 0.6965 0.6965 1.1883 1.1883 1.7144 1.7144 3.6264 3.6264 3.6323 3.6323 3.8358 3.8358 3.8436 3.8436 4.2628 4.2628 4.4794 4.4794 4.4993 4.4993 4.5510 4.5510 4.7339 4.7339 4.7513 4.7513 5.4175 5.4175 5.6005 5.6005 10.4097 10.4097 10.9770 10.9770 11.2077 11.2077 11.4864 11.4864 11.6018 11.6018 12.1952 12.1952 14.5972 14.5972 k = 0.5000 0.3028 0.2182 ( 6896 PWs) bands (ev): -21.6649 -21.6649 -21.6432 -21.6432 -14.1701 -14.1701 -13.9770 -13.9770 -11.6177 -11.6177 -11.5560 -11.5560 -11.4970 -11.4970 -11.4317 -11.4317 -5.6186 -5.6186 -5.4726 -5.4726 -5.2731 -5.2731 -5.2564 -5.2564 -5.1228 -5.1228 -5.0840 -5.0840 -4.9224 -4.9224 -4.8244 -4.8244 0.1581 0.1581 0.3495 0.3495 0.5102 0.5102 0.6965 0.6965 1.1883 1.1883 1.7144 1.7144 3.6264 3.6264 3.6323 3.6323 3.8358 3.8358 3.8436 3.8436 4.2628 4.2628 4.4794 4.4794 4.4993 4.4993 4.5510 4.5510 4.7339 4.7339 4.7513 4.7513 5.4175 5.4175 5.6005 5.6005 10.4097 10.4097 10.9770 10.9770 11.2077 11.2077 11.4864 11.4864 11.6018 11.6018 12.1952 12.1952 14.5972 14.5972 k = 0.4853 0.2939 0.2117 ( 6890 PWs) bands (ev): -21.6650 -21.6650 -21.6432 -21.6432 -14.1724 -14.1724 -13.9744 -13.9744 -11.6215 -11.6165 -11.5594 -11.5548 -11.4982 -11.4930 -11.4329 -11.4280 -5.6306 -5.6302 -5.4664 -5.4650 -5.2836 -5.2754 -5.2519 -5.2445 -5.1232 -5.1230 -5.0838 -5.0837 -4.9270 -4.9263 -4.8166 -4.8163 0.1206 0.1558 0.3513 0.3888 0.4741 0.5067 0.7006 0.7336 1.1819 1.1853 1.7167 1.7182 3.6162 3.6222 3.6275 3.6333 3.8342 3.8421 3.8469 3.8546 4.2634 4.2635 4.4790 4.4799 4.4990 4.4998 4.5512 4.5513 4.7343 4.7345 4.7515 4.7521 5.4170 5.4172 5.6027 5.6029 10.3989 10.4103 10.9297 10.9687 11.2212 11.2535 11.4208 11.4283 11.6592 11.6673 12.1931 12.1976 14.5890 14.5896 k = 0.4706 0.2850 0.2053 ( 6896 PWs) bands (ev): -21.6650 -21.6650 -21.6431 -21.6431 -14.1790 -14.1790 -13.9670 -13.9670 -11.6272 -11.6179 -11.5647 -11.5559 -11.4966 -11.4869 -11.4315 -11.4224 -5.6607 -5.6602 -5.4515 -5.4489 -5.2944 -5.2852 -5.2369 -5.2290 -5.1243 -5.1239 -5.0833 -5.0832 -4.9375 -4.9363 -4.7955 -4.7952 0.0666 0.1156 0.3922 0.4212 0.4461 0.4668 0.7426 0.7891 1.1665 1.1732 1.7245 1.7275 3.5992 3.6054 3.6193 3.6250 3.8424 3.8503 3.8652 3.8727 4.2652 4.2654 4.4788 4.4805 4.4987 4.5004 4.5517 4.5519 4.7356 4.7361 4.7528 4.7539 5.4158 5.4161 5.6094 5.6098 10.3779 10.4005 10.8594 10.9158 11.2826 11.3227 11.3259 11.3306 11.7554 11.7646 12.1912 12.2002 14.5666 14.5677 k = 0.4559 0.2761 0.1989 ( 6905 PWs) bands (ev): -21.6651 -21.6651 -21.6431 -21.6431 -14.1890 -14.1890 -13.9556 -13.9556 -11.6344 -11.6217 -11.5714 -11.5593 -11.4923 -11.4791 -11.4278 -11.4152 -5.7007 -5.7002 -5.4352 -5.4315 -5.3042 -5.2943 -5.2200 -5.2124 -5.1259 -5.1253 -5.0825 -5.0823 -4.9502 -4.9486 -4.7648 -4.7645 0.0073 0.0606 0.3632 0.4129 0.4491 0.5099 0.8001 0.8512 1.1430 1.1531 1.7373 1.7415 3.5779 3.5841 3.6037 3.6094 3.8584 3.8661 3.8883 3.8955 4.2682 4.2684 4.4787 4.4812 4.4986 4.5012 4.5525 4.5529 4.7380 4.7387 4.7552 4.7568 5.4141 5.4145 5.6204 5.6210 10.3466 10.3794 10.7851 10.8499 11.2202 11.2281 11.3604 11.4068 11.8557 11.8653 12.1897 12.2034 14.5332 14.5347 k = 0.4412 0.2672 0.1925 ( 6911 PWs) bands (ev): -21.6653 -21.6653 -21.6430 -21.6430 -14.2015 -14.2015 -13.9413 -13.9413 -11.6427 -11.6276 -11.5790 -11.5645 -11.4859 -11.4701 -11.4221 -11.4068 -5.7460 -5.7456 -5.4208 -5.4161 -5.3128 -5.3024 -5.2030 -5.1958 -5.1280 -5.1272 -5.0814 -5.0813 -4.9633 -4.9615 -4.7264 -4.7262 -0.0534 0.0011 0.3038 0.3549 0.5113 0.5766 0.8634 0.9163 1.1125 1.1264 1.7539 1.7590 3.5541 3.5603 3.5834 3.5891 3.8795 3.8871 3.9142 3.9213 4.2723 4.2726 4.4788 4.4821 4.4987 4.5020 4.5538 4.5543 4.7413 4.7424 4.7585 4.7608 5.4121 5.4126 5.6354 5.6361 10.3049 10.3461 10.7136 10.7830 11.1166 11.1244 11.4426 11.4903 11.9563 11.9663 12.1889 12.2075 14.4923 14.4940 k = 0.4265 0.2583 0.1861 ( 6924 PWs) bands (ev): -21.6655 -21.6655 -21.6429 -21.6429 -14.2156 -14.2156 -13.9249 -13.9249 -11.6517 -11.6349 -11.5874 -11.5711 -11.4779 -11.4602 -11.4148 -11.3976 -5.7942 -5.7939 -5.4092 -5.4034 -5.3207 -5.3096 -5.1869 -5.1800 -5.1304 -5.1296 -5.0803 -5.0801 -4.9764 -4.9742 -4.6814 -4.6814 -0.1142 -0.0597 0.2444 0.2957 0.5752 0.6447 0.9293 0.9829 1.0763 1.0947 1.7731 1.7789 3.5289 3.5352 3.5602 3.5659 3.9037 3.9112 3.9419 3.9487 4.2774 4.2777 4.4790 4.4830 4.4989 4.5030 4.5556 4.5562 4.7455 4.7471 4.7629 4.7659 5.4101 5.4106 5.6540 5.6548 10.2531 10.2999 10.6481 10.7190 11.0127 11.0205 11.5245 11.5735 12.0565 12.0667 12.1893 12.2131 14.4467 14.4484 k = 0.4118 0.2494 0.1797 ( 6930 PWs) bands (ev): -21.6657 -21.6657 -21.6427 -21.6427 -14.2307 -14.2307 -13.9070 -13.9070 -11.6610 -11.6431 -11.5961 -11.5787 -11.4687 -11.4497 -11.4063 -11.3879 -5.8440 -5.8437 -5.4004 -5.3934 -5.3278 -5.3160 -5.1726 -5.1659 -5.1332 -5.1322 -5.0790 -5.0788 -4.9891 -4.9867 -4.6306 -4.6306 -0.1744 -0.1205 0.1855 0.2366 0.6384 0.7135 0.9966 1.0353 1.0504 1.0600 1.7940 1.8004 3.5031 3.5094 3.5356 3.5412 3.9297 3.9370 3.9705 3.9771 4.2834 4.2837 4.4794 4.4841 4.4992 4.5041 4.5579 4.5585 4.7507 4.7528 4.7684 4.7720 5.4082 5.4087 5.6759 5.6768 10.1920 10.2412 10.5896 10.6589 10.9089 10.9169 11.6038 11.6544 12.1557 12.1662 12.1919 12.2211 14.3984 14.4001 k = 0.3971 0.2405 0.1732 ( 6924 PWs) bands (ev): -21.6660 -21.6660 -21.6426 -21.6426 -14.2463 -14.2463 -13.8880 -13.8880 -11.6706 -11.6520 -11.6051 -11.5870 -11.4586 -11.4389 -11.3970 -11.3777 -5.8945 -5.8942 -5.3940 -5.3858 -5.3344 -5.3216 -5.1603 -5.1537 -5.1363 -5.1352 -5.0777 -5.0775 -5.0015 -4.9988 -4.5746 -4.5745 -0.2337 -0.1806 0.1277 0.1782 0.6983 0.7825 0.9907 1.0252 1.0646 1.1182 1.8159 1.8227 3.4771 3.4833 3.5103 3.5159 3.9567 3.9637 3.9995 4.0058 4.2901 4.2905 4.4800 4.4853 4.4996 4.5053 4.5607 4.5615 4.7568 4.7596 4.7749 4.7792 5.4066 5.4071 5.7008 5.7018 10.1230 10.1719 10.5372 10.6025 10.8056 10.8137 11.6781 11.7306 12.1982 12.2329 12.2536 12.2644 14.3489 14.3506 k = 0.3824 0.2316 0.1668 ( 6915 PWs) bands (ev): -21.6663 -21.6663 -21.6424 -21.6424 -14.2622 -14.2622 -13.8684 -13.8684 -11.6802 -11.6614 -11.6142 -11.5956 -11.4480 -11.4278 -11.3871 -11.3673 -5.9449 -5.9447 -5.3898 -5.3802 -5.3404 -5.3266 -5.1501 -5.1436 -5.1395 -5.1383 -5.0764 -5.0762 -5.0138 -5.0107 -4.5142 -4.5141 -0.2919 -0.2397 0.0711 0.1208 0.7494 0.8504 0.9441 0.9963 1.1330 1.1862 1.8381 1.8453 3.4513 3.4574 3.4848 3.4903 3.9839 3.9907 4.0285 4.0345 4.2974 4.2978 4.4808 4.4866 4.5003 4.5066 4.5642 4.5651 4.7640 4.7674 4.7824 4.7876 5.4053 5.4059 5.7284 5.7295 10.0478 10.0948 10.4892 10.5490 10.7029 10.7113 11.7452 11.7995 12.2103 12.2502 12.3501 12.3612 14.2992 14.3008 k = 0.3676 0.2227 0.1604 ( 6915 PWs) bands (ev): -21.6666 -21.6666 -21.6422 -21.6422 -14.2781 -14.2781 -13.8484 -13.8484 -11.6898 -11.6709 -11.6233 -11.6046 -11.4371 -11.4166 -11.3768 -11.3567 -5.9950 -5.9948 -5.3873 -5.3765 -5.3457 -5.3309 -5.1429 -5.1421 -5.1416 -5.1355 -5.0751 -5.0750 -5.0258 -5.0224 -4.4501 -4.4499 -0.3488 -0.2977 0.0158 0.0646 0.7794 0.8835 0.9293 0.9858 1.2015 1.2540 1.8603 1.8678 3.4258 3.4319 3.4595 3.4649 4.0112 4.0176 4.0573 4.0628 4.3051 4.3054 4.4818 4.4879 4.5010 4.5080 4.5685 4.5695 4.7720 4.7763 4.7909 4.7970 5.4044 5.4049 5.7585 5.7596 9.9681 10.0123 10.4437 10.4977 10.6011 10.6098 11.8027 11.8576 12.2313 12.2749 12.4450 12.4562 14.2501 14.2516 k = 0.3529 0.2137 0.1540 ( 6909 PWs) bands (ev): -21.6669 -21.6669 -21.6420 -21.6420 -14.2939 -14.2939 -13.8281 -13.8281 -11.6993 -11.6804 -11.6323 -11.6136 -11.4259 -11.4054 -11.3664 -11.3461 -6.0443 -6.0441 -5.3865 -5.3748 -5.3502 -5.3346 -5.1463 -5.1450 -5.1359 -5.1292 -5.0740 -5.0738 -5.0378 -5.0339 -4.3829 -4.3827 -0.4042 -0.3544 -0.0379 0.0098 0.7752 0.8355 0.9931 1.0069 1.2698 1.3215 1.8822 1.8900 3.4008 3.4068 3.4345 3.4398 4.0381 4.0441 4.0856 4.0906 4.3129 4.3132 4.4829 4.4894 4.5019 4.5095 4.5736 4.5747 4.7810 4.7863 4.8005 4.8075 5.4039 5.4044 5.7908 5.7919 9.8852 9.9266 10.3994 10.4476 10.5003 10.5095 11.8486 11.9019 12.2640 12.3088 12.5380 12.5495 14.2021 14.2036 k = 0.3382 0.2048 0.1476 ( 6921 PWs) bands (ev): -21.6673 -21.6673 -21.6418 -21.6418 -14.3094 -14.3094 -13.8078 -13.8078 -11.7087 -11.6900 -11.6412 -11.6226 -11.4147 -11.3943 -11.3558 -11.3356 -6.0925 -6.0923 -5.3871 -5.3751 -5.3534 -5.3377 -5.1499 -5.1486 -5.1315 -5.1244 -5.0729 -5.0728 -5.0496 -5.0452 -4.3133 -4.3131 -0.4580 -0.4096 -0.0901 -0.0436 0.7439 0.7814 1.0529 1.0606 1.3378 1.3885 1.9036 1.9116 3.3764 3.3824 3.4101 3.4153 4.0645 4.0701 4.1132 4.1175 4.3206 4.3209 4.4842 4.4908 4.5029 4.5110 4.5796 4.5807 4.7909 4.7973 4.8111 4.8190 5.4036 5.4041 5.8251 5.8262 9.8005 9.8392 10.3555 10.3984 10.4009 10.4105 11.8823 11.9311 12.3092 12.3523 12.6290 12.6406 14.1559 14.1572 k = 0.3235 0.1959 0.1412 ( 6921 PWs) bands (ev): -21.6677 -21.6677 -21.6416 -21.6416 -14.3245 -14.3245 -13.7875 -13.7875 -11.7178 -11.6994 -11.6498 -11.6316 -11.4034 -11.3833 -11.3451 -11.3252 -6.1395 -6.1393 -5.3889 -5.3774 -5.3554 -5.3404 -5.1535 -5.1521 -5.1285 -5.1210 -5.0719 -5.0718 -5.0613 -5.0562 -4.2419 -4.2417 -0.5102 -0.4632 -0.1405 -0.0953 0.6994 0.7254 1.1099 1.1276 1.4052 1.4547 1.9244 1.9326 3.3528 3.3586 3.3864 3.3914 4.0902 4.0952 4.1400 4.1435 4.3282 4.3285 4.4858 4.4922 4.5041 4.5126 4.5866 4.5877 4.8018 4.8093 4.8226 4.8316 5.4037 5.4041 5.8610 5.8622 9.7149 9.7512 10.3030 10.3115 10.3130 10.3496 11.9043 11.9472 12.3649 12.4044 12.7178 12.7296 14.1117 14.1129 k = 0.3088 0.1870 0.1347 ( 6918 PWs) bands (ev): -21.6680 -21.6680 -21.6414 -21.6414 -14.3393 -14.3393 -13.7675 -13.7675 -11.7266 -11.7087 -11.6582 -11.6404 -11.3922 -11.3724 -11.3345 -11.3149 -6.1850 -6.1849 -5.3916 -5.3813 -5.3564 -5.3428 -5.1571 -5.1557 -5.1270 -5.1187 -5.0728 -5.0710 -5.0709 -5.0668 -4.1691 -4.1688 -0.5607 -0.5152 -0.1891 -0.1453 0.6487 0.6681 1.1710 1.1937 1.4718 1.5200 1.9445 1.9530 3.3299 3.3357 3.3633 3.3682 4.1151 4.1195 4.1657 4.1683 4.3355 4.3356 4.4875 4.4937 4.5053 4.5142 4.5946 4.5957 4.8136 4.8223 4.8351 4.8452 5.4040 5.4044 5.8985 5.8996 9.6291 9.6634 10.2068 10.2174 10.2673 10.3013 11.9169 11.9534 12.4276 12.4630 12.8042 12.8162 14.0699 14.0709 k = 0.2941 0.1781 0.1283 ( 6924 PWs) bands (ev): -21.6684 -21.6684 -21.6412 -21.6412 -14.3535 -14.3535 -13.7477 -13.7476 -11.7352 -11.7178 -11.6664 -11.6490 -11.3812 -11.3618 -11.3241 -11.3049 -6.2290 -6.2289 -5.3950 -5.3860 -5.3572 -5.3449 -5.1607 -5.1593 -5.1268 -5.1173 -5.0842 -5.0768 -5.0703 -5.0701 -4.0953 -4.0951 -0.6094 -0.5654 -0.2359 -0.1936 0.5947 0.6100 1.2334 1.2586 1.5375 1.5842 1.9640 1.9727 3.3080 3.3137 3.3411 3.3459 4.1391 4.1427 4.1903 4.1918 4.3422 4.3422 4.4893 4.4950 4.5066 4.5157 4.6036 4.6047 4.8263 4.8362 4.8486 4.8597 5.4045 5.4049 5.9371 5.9382 9.5440 9.5764 10.1126 10.1236 10.2230 10.2533 11.9220 11.9527 12.4941 12.5256 12.8880 12.9003 14.0307 14.0316 k = 0.2794 0.1692 0.1219 ( 6924 PWs) bands (ev): -21.6688 -21.6688 -21.6410 -21.6410 -14.3672 -14.3672 -13.7282 -13.7282 -11.7434 -11.7266 -11.6742 -11.6574 -11.3703 -11.3515 -11.3138 -11.2951 -6.2713 -6.2712 -5.3990 -5.3912 -5.3579 -5.3469 -5.1642 -5.1628 -5.1279 -5.1168 -5.0954 -5.0861 -5.0696 -5.0695 -4.0211 -4.0208 -0.6562 -0.6139 -0.2807 -0.2400 0.5389 0.5513 1.2957 1.3218 1.6020 1.6470 1.9828 1.9918 3.2869 3.2925 3.3198 3.3244 4.1620 4.1649 4.2137 4.2138 4.3483 4.3484 4.4912 4.4963 4.5080 4.5173 4.6136 4.6146 4.8398 4.8509 4.8628 4.8750 5.4051 5.4055 5.9765 5.9777 9.4599 9.4907 10.0207 10.0321 10.1787 10.2056 11.9217 11.9475 12.5620 12.5904 12.9692 12.9817 13.9944 13.9950 k = 0.2647 0.1603 0.1155 ( 6933 PWs) bands (ev): -21.6692 -21.6692 -21.6407 -21.6407 -14.3804 -14.3804 -13.7092 -13.7092 -11.7513 -11.7351 -11.6818 -11.6655 -11.3597 -11.3414 -11.3037 -11.2856 -6.3118 -6.3117 -5.4034 -5.3966 -5.3588 -5.3490 -5.1678 -5.1663 -5.1306 -5.1172 -5.1060 -5.0943 -5.0691 -5.0689 -3.9466 -3.9464 -0.7011 -0.6605 -0.3236 -0.2845 0.4820 0.4923 1.3572 1.3832 1.6651 1.7083 2.0009 2.0102 3.2668 3.2723 3.2994 3.3038 4.1840 4.1859 4.2344 4.2357 4.3537 4.3539 4.4932 4.4975 4.5094 4.5187 4.6245 4.6254 4.8542 4.8664 4.8779 4.8910 5.4058 5.4062 6.0166 6.0177 9.3773 9.4068 9.9311 9.9429 10.1345 10.1586 11.9173 11.9390 12.6298 12.6556 13.0474 13.0601 13.9611 13.9615 k = 0.2500 0.1514 0.1091 ( 6933 PWs) bands (ev): -21.6696 -21.6696 -21.6405 -21.6405 -14.3929 -14.3929 -13.6908 -13.6908 -11.7589 -11.7433 -11.6889 -11.6734 -11.3494 -11.3318 -11.2939 -11.2764 -6.3505 -6.3504 -5.4080 -5.4022 -5.3598 -5.3510 -5.1712 -5.1698 -5.1349 -5.1203 -5.1140 -5.1011 -5.0686 -5.0685 -3.8724 -3.8722 -0.7440 -0.7053 -0.3644 -0.3270 0.4246 0.4334 1.4171 1.4426 1.7267 1.7679 2.0185 2.0281 3.2478 3.2532 3.2799 3.2841 4.2049 4.2058 4.2535 4.2564 4.3584 4.3588 4.4953 4.4985 4.5107 4.5200 4.6361 4.6369 4.8692 4.8825 4.8937 4.9076 5.4066 5.4070 6.0569 6.0580 9.2968 9.3249 9.8443 9.8563 10.0907 10.1123 11.9100 11.9283 12.6963 12.7202 13.1226 13.1356 13.9309 13.9311 k = 0.2353 0.1425 0.1027 ( 6930 PWs) bands (ev): -21.6700 -21.6700 -21.6403 -21.6403 -14.4049 -14.4049 -13.6730 -13.6730 -11.7660 -11.7511 -11.6958 -11.6809 -11.3394 -11.3225 -11.2844 -11.2676 -6.3872 -6.3871 -5.4129 -5.4077 -5.3611 -5.3531 -5.1745 -5.1731 -5.1407 -5.1290 -5.1166 -5.1064 -5.0683 -5.0681 -3.7988 -3.7986 -0.7849 -0.7480 -0.4030 -0.3675 0.3672 0.3747 1.4752 1.4995 1.7864 1.8255 2.0356 2.0455 3.2298 3.2351 3.2614 3.2655 4.2246 4.2247 4.2711 4.2757 4.3625 4.3631 4.4973 4.4993 4.5120 4.5212 4.6484 4.6491 4.8849 4.8991 4.9100 4.9247 5.4074 5.4077 6.0972 6.0983 9.2187 9.2455 9.7604 9.7726 10.0476 10.0668 11.9006 11.9161 12.7609 12.7831 13.1946 13.2080 13.9038 13.9039 k = 0.2206 0.1336 0.0962 ( 6924 PWs) bands (ev): -21.6704 -21.6704 -21.6401 -21.6401 -14.4162 -14.4162 -13.6558 -13.6558 -11.7728 -11.7586 -11.7022 -11.6881 -11.3298 -11.3136 -11.2752 -11.2592 -6.4219 -6.4218 -5.4178 -5.4133 -5.3625 -5.3553 -5.1777 -5.1764 -5.1476 -5.1387 -5.1180 -5.1106 -5.0680 -5.0678 -3.7262 -3.7259 -0.8238 -0.7888 -0.4395 -0.4058 0.3102 0.3167 1.5310 1.5537 1.8441 1.8810 2.0523 2.0626 3.2128 3.2181 3.2439 3.2478 4.2422 4.2436 4.2871 4.2937 4.3660 4.3668 4.4992 4.5000 4.5132 4.5223 4.6612 4.6618 4.9010 4.9160 4.9268 4.9420 5.4081 5.4085 6.1371 6.1382 9.1433 9.1690 9.6797 9.6921 10.0053 10.0226 11.8897 11.9029 12.8228 12.8437 13.2633 13.2770 13.8798 13.8803 k = 0.2059 0.1247 0.0898 ( 6918 PWs) bands (ev): -21.6708 -21.6708 -21.6399 -21.6399 -14.4268 -14.4268 -13.6394 -13.6394 -11.7791 -11.7658 -11.7082 -11.6949 -11.3205 -11.3052 -11.2664 -11.2512 -6.4545 -6.4544 -5.4228 -5.4188 -5.3641 -5.3575 -5.1808 -5.1795 -5.1552 -5.1483 -5.1195 -5.1139 -5.0678 -5.0676 -3.6549 -3.6546 -0.8605 -0.8275 -0.4738 -0.4421 0.2540 0.2596 1.5840 1.6049 1.8995 1.9341 2.0686 2.0793 3.1970 3.2021 3.2274 3.2311 4.2588 4.2614 4.3016 4.3102 4.3690 4.3700 4.5004 4.5008 4.5142 4.5231 4.6743 4.6748 4.9175 4.9331 4.9438 4.9594 5.4089 5.4092 6.1764 6.1774 9.0710 9.0955 9.6025 9.6149 9.9642 9.9797 11.8779 11.8891 12.8818 12.9014 13.3286 13.3426 13.8590 13.8599 k = 0.1912 0.1158 0.0834 ( 6918 PWs) bands (ev): -21.6711 -21.6711 -21.6398 -21.6398 -14.4367 -14.4367 -13.6239 -13.6239 -11.7850 -11.7725 -11.7139 -11.7014 -11.3117 -11.2973 -11.2580 -11.2437 -6.4851 -6.4850 -5.4277 -5.4242 -5.3658 -5.3598 -5.1838 -5.1825 -5.1629 -5.1574 -5.1210 -5.1167 -5.0677 -5.0674 -3.5853 -3.5850 -0.8950 -0.8641 -0.5058 -0.4761 0.1989 0.2038 1.6340 1.6529 1.9525 1.9846 2.0848 2.0958 3.1823 3.1874 3.2119 3.2155 4.2743 4.2782 4.3146 4.3255 4.3716 4.3728 4.5005 4.5023 4.5151 4.5237 4.6875 4.6879 4.9341 4.9501 4.9609 4.9768 5.4095 5.4099 6.2146 6.2156 9.0021 9.0254 9.5290 9.5413 9.9245 9.9384 11.8654 11.8749 12.9373 12.9559 13.3903 13.4047 13.8414 13.8429 k = 0.1765 0.1069 0.0770 ( 6900 PWs) bands (ev): -21.6715 -21.6715 -21.6396 -21.6396 -14.4459 -14.4459 -13.6092 -13.6092 -11.7904 -11.7788 -11.7191 -11.7074 -11.3034 -11.2899 -11.2501 -11.2367 -6.5135 -6.5134 -5.4325 -5.4294 -5.3675 -5.3620 -5.1865 -5.1854 -5.1706 -5.1660 -5.1225 -5.1191 -5.0676 -5.0674 -3.5178 -3.5175 -0.9274 -0.8986 -0.5355 -0.5079 0.1453 0.1497 1.6806 1.6973 2.0027 2.0323 2.1009 2.1122 3.1688 3.1738 3.1974 3.2008 4.2887 4.2942 4.3262 4.3394 4.3738 4.3754 4.5003 4.5033 4.5157 4.5240 4.7006 4.7009 4.9507 4.9668 4.9780 4.9938 5.4101 5.4104 6.2515 6.2525 8.9370 8.9590 9.4596 9.4716 9.8865 9.8989 11.8526 11.8608 12.9891 13.0067 13.4484 13.4632 13.8271 13.8291 k = 0.1618 0.0980 0.0706 ( 6885 PWs) bands (ev): -21.6718 -21.6718 -21.6394 -21.6394 -14.4545 -14.4545 -13.5954 -13.5954 -11.7955 -11.7847 -11.7239 -11.7131 -11.2956 -11.2831 -11.2427 -11.2302 -6.5397 -6.5397 -5.4372 -5.4345 -5.3693 -5.3643 -5.1891 -5.1880 -5.1779 -5.1741 -5.1241 -5.1214 -5.0675 -5.0673 -3.4529 -3.4526 -0.9575 -0.9309 -0.5629 -0.5373 0.0937 0.0975 1.7235 1.7379 2.0500 2.0770 2.1169 2.1283 3.1565 3.1614 3.1840 3.1872 4.3022 4.3092 4.3362 4.3522 4.3758 4.3780 4.4999 4.5040 4.5160 4.5241 4.7134 4.7136 4.9671 4.9831 4.9948 5.0104 5.4106 5.4109 6.2868 6.2878 8.8759 8.8966 9.3944 9.4061 9.8505 9.8614 11.8399 11.8468 13.0370 13.0535 13.5026 13.5179 13.8158 13.8185 k = 0.1471 0.0891 0.0642 ( 6882 PWs) bands (ev): -21.6721 -21.6721 -21.6393 -21.6393 -14.4623 -14.4623 -13.5827 -13.5827 -11.8000 -11.7902 -11.7282 -11.7183 -11.2883 -11.2768 -11.2357 -11.2243 -6.5638 -6.5637 -5.4417 -5.4393 -5.3710 -5.3666 -5.1916 -5.1905 -5.1848 -5.1816 -5.1256 -5.1234 -5.0675 -5.0674 -3.3911 -3.3908 -0.9852 -0.9609 -0.5879 -0.5645 0.0444 0.0478 1.7623 1.7746 2.0942 2.1185 2.1328 2.1443 3.1454 3.1502 3.1715 3.1747 4.3145 4.3233 4.3448 4.3637 4.3776 4.3806 4.4992 4.5042 4.5161 4.5238 4.7257 4.7259 4.9831 4.9986 5.0112 5.0263 5.4110 5.4113 6.3202 6.3211 8.8192 8.8385 9.3338 9.3451 9.8165 9.8262 11.8275 11.8334 13.0808 13.0961 13.5531 13.5689 13.8074 13.8108 k = 0.1324 0.0802 0.0577 ( 6885 PWs) bands (ev): -21.6724 -21.6724 -21.6391 -21.6391 -14.4694 -14.4694 -13.5710 -13.5710 -11.8041 -11.7952 -11.7321 -11.7232 -11.2815 -11.2711 -11.2293 -11.2189 -6.5856 -6.5855 -5.4460 -5.4439 -5.3728 -5.3688 -5.1938 -5.1928 -5.1912 -5.1885 -5.1271 -5.1253 -5.0676 -5.0674 -3.3328 -3.3325 -1.0107 -0.9886 -0.6105 -0.5893 -0.0021 0.0009 1.7971 1.8071 2.1350 2.1487 2.1566 2.1600 3.1356 3.1402 3.1601 3.1631 4.3258 4.3365 4.3518 4.3740 4.3795 4.3836 4.4982 4.5039 4.5159 4.5233 4.7374 4.7375 4.9985 5.0134 5.0268 5.0412 5.4113 5.4115 6.3513 6.3522 8.7671 8.7849 9.2781 9.2887 9.7850 9.7936 11.8156 11.8206 13.1202 13.1343 13.5997 13.6161 13.8018 13.8060 k = 0.1176 0.0712 0.0513 ( 6879 PWs) bands (ev): -21.6726 -21.6726 -21.6390 -21.6390 -14.4757 -14.4757 -13.5604 -13.5604 -11.8077 -11.7998 -11.7356 -11.7276 -11.2754 -11.2660 -11.2234 -11.2141 -6.6051 -6.6051 -5.4500 -5.4482 -5.3744 -5.3708 -5.1970 -5.1958 -5.1949 -5.1947 -5.1285 -5.1270 -5.0676 -5.0675 -3.2786 -3.2783 -1.0337 -1.0139 -0.6307 -0.6117 -0.0453 -0.0428 1.8276 1.8356 2.1642 2.1722 2.1752 2.1912 3.1269 3.1314 3.1497 3.1526 4.3359 4.3489 4.3571 4.3816 4.3833 4.3872 4.4970 4.5031 4.5155 4.5224 4.7483 4.7484 5.0131 5.0270 5.0416 5.0551 5.4115 5.4117 6.3800 6.3807 8.7199 8.7361 9.2275 9.2374 9.7562 9.7636 11.8044 11.8086 13.1553 13.1681 13.6424 13.6593 13.7987 13.8037 k = 0.1029 0.0623 0.0449 ( 6873 PWs) bands (ev): -21.6729 -21.6729 -21.6389 -21.6389 -14.4814 -14.4814 -13.5509 -13.5509 -11.8109 -11.8039 -11.7386 -11.7315 -11.2698 -11.2615 -11.2181 -11.2099 -6.6224 -6.6224 -5.4536 -5.4520 -5.3759 -5.3728 -5.2022 -5.2003 -5.1976 -5.1968 -5.1298 -5.1286 -5.0677 -5.0676 -3.2289 -3.2287 -1.0542 -1.0368 -0.6484 -0.6317 -0.0849 -0.0827 1.8538 1.8601 2.1794 2.1896 2.2056 2.2220 3.1196 3.1239 3.1403 3.1431 4.3445 4.3604 4.3610 4.3841 4.3911 4.3914 4.4956 4.5019 4.5148 4.5213 4.7583 4.7584 5.0266 5.0394 5.0553 5.0677 5.4116 5.4118 6.4059 6.4066 8.6778 8.6923 9.1823 9.1912 9.7302 9.7366 11.7942 11.7977 13.1860 13.1974 13.6812 13.6987 13.7978 13.8036 k = 0.0882 0.0534 0.0385 ( 6888 PWs) bands (ev): -21.6731 -21.6731 -21.6388 -21.6388 -14.4863 -14.4863 -13.5427 -13.5427 -11.8136 -11.8075 -11.7411 -11.7351 -11.2648 -11.2577 -11.2133 -11.2063 -6.6375 -6.6374 -5.4569 -5.4555 -5.3772 -5.3746 -5.2067 -5.2051 -5.1991 -5.1984 -5.1309 -5.1299 -5.0678 -5.0677 -3.1844 -3.1842 -1.0721 -1.0571 -0.6636 -0.6493 -0.1203 -0.1185 1.8759 1.8807 2.1937 2.2030 2.2351 2.2489 3.1134 3.1176 3.1319 3.1347 4.3515 4.3636 4.3710 4.3873 4.3953 4.3983 4.4941 4.5002 4.5140 4.5200 4.7673 4.7673 5.0389 5.0503 5.0678 5.0788 5.4117 5.4119 6.4288 6.4294 8.6411 8.6537 9.1426 9.1506 9.7072 9.7126 11.7850 11.7879 13.2123 13.2222 13.7159 13.7339 13.7987 13.8051 k = 0.0735 0.0445 0.0321 ( 6906 PWs) bands (ev): -21.6732 -21.6732 -21.6387 -21.6387 -14.4904 -14.4904 -13.5356 -13.5356 -11.8158 -11.8107 -11.7432 -11.7381 -11.2605 -11.2546 -11.2092 -11.2033 -6.6502 -6.6502 -5.4597 -5.4586 -5.3784 -5.3762 -5.2106 -5.2093 -5.2005 -5.1999 -5.1319 -5.1311 -5.0679 -5.0678 -3.1456 -3.1454 -1.0873 -1.0747 -0.6764 -0.6644 -0.1512 -0.1497 1.8940 1.8976 2.2069 2.2150 2.2604 2.2717 3.1086 3.1126 3.1245 3.1272 4.3569 4.3653 4.3807 4.3911 4.3993 4.4040 4.4926 4.4982 4.5131 4.5184 4.7750 4.7751 5.0498 5.0597 5.0788 5.0883 5.4117 5.4119 6.4485 6.4490 8.6098 8.6206 9.1088 9.1156 9.6875 9.6919 11.7770 11.7793 13.2343 13.2427 13.7468 13.7649 13.8011 13.8077 k = 0.0588 0.0356 0.0257 ( 6894 PWs) bands (ev): -21.6734 -21.6734 -21.6387 -21.6387 -14.4938 -14.4938 -13.5298 -13.5298 -11.8175 -11.8134 -11.7448 -11.7408 -11.2569 -11.2521 -11.2057 -11.2010 -6.6606 -6.6606 -5.4620 -5.4612 -5.3793 -5.3775 -5.2137 -5.2127 -5.2015 -5.2011 -5.1327 -5.1321 -5.0679 -5.0678 -3.1129 -3.1128 -1.0997 -1.0896 -0.6866 -0.6769 -0.1770 -0.1759 1.9085 1.9110 2.2185 2.2253 2.2816 2.2904 3.1050 3.1088 3.1180 3.1208 4.3607 4.3664 4.3893 4.3954 4.4030 4.4084 4.4911 4.4961 4.5122 4.5168 4.7815 4.7816 5.0592 5.0673 5.0883 5.0961 5.4117 5.4118 6.4649 6.4653 8.5843 8.5930 9.0810 9.0866 9.6712 9.6747 11.7704 11.7722 13.2523 13.2590 13.7735 13.7911 13.8043 13.8109 k = 0.0441 0.0267 0.0192 ( 6882 PWs) bands (ev): -21.6735 -21.6735 -21.6386 -21.6386 -14.4964 -14.4964 -13.5252 -13.5252 -11.8187 -11.8156 -11.7460 -11.7429 -11.2539 -11.2503 -11.2028 -11.1993 -6.6687 -6.6687 -5.4638 -5.4632 -5.3800 -5.3787 -5.2161 -5.2154 -5.2024 -5.2020 -5.1334 -5.1329 -5.0680 -5.0679 -3.0870 -3.0869 -1.1092 -1.1016 -0.6942 -0.6870 -0.1975 -0.1967 1.9194 1.9212 2.2283 2.2335 2.2983 2.3049 3.1026 3.1063 3.1126 3.1155 4.3633 4.3670 4.3967 4.3997 4.4059 4.4114 4.4899 4.4939 4.5116 4.5152 4.7867 4.7867 5.0669 5.0732 5.0960 5.1020 5.4117 5.4118 6.4779 6.4782 8.5645 8.5711 9.0594 9.0636 9.6585 9.6611 11.7651 11.7665 13.2662 13.2713 13.7961 13.8080 13.8121 13.8138 k = 0.0294 0.0178 0.0128 ( 6852 PWs) bands (ev): -21.6736 -21.6736 -21.6386 -21.6386 -14.4983 -14.4983 -13.5220 -13.5220 -11.8194 -11.8173 -11.7466 -11.7446 -11.2515 -11.2491 -11.2006 -11.1982 -6.6745 -6.6745 -5.4651 -5.4647 -5.3804 -5.3795 -5.2179 -5.2174 -5.2029 -5.2027 -5.1338 -5.1335 -5.0680 -5.0680 -3.0681 -3.0680 -1.1156 -1.1106 -0.6994 -0.6945 -0.2124 -0.2118 1.9271 1.9282 2.2357 2.2393 2.3106 2.3150 3.1015 3.1050 3.1083 3.1112 4.3651 4.3672 4.4030 4.4035 4.4079 4.4129 4.4891 4.4919 4.5112 4.5137 4.7905 4.7905 5.0729 5.0771 5.1020 5.1060 5.4117 5.4118 6.4872 6.4874 8.5507 8.5551 9.0440 9.0469 9.6494 9.6512 11.7614 11.7623 13.2763 13.2797 13.8116 13.8141 13.8160 13.8267 k = 0.0147 0.0089 0.0064 ( 6861 PWs) bands (ev): -21.6736 -21.6736 -21.6385 -21.6385 -14.4995 -14.4995 -13.5200 -13.5200 -11.8196 -11.8186 -11.7468 -11.7458 -11.2499 -11.2487 -11.1990 -11.1978 -6.6780 -6.6780 -5.4659 -5.4657 -5.3806 -5.3802 -5.2188 -5.2186 -5.2033 -5.2031 -5.1340 -5.1339 -5.0680 -5.0680 -3.0567 -3.0566 -1.1191 -1.1165 -0.7020 -0.6996 -0.2213 -0.2210 1.9318 1.9323 2.2407 2.2424 2.3185 2.3206 3.1015 3.1048 3.1049 3.1079 4.3662 4.3672 4.4065 4.4078 4.4087 4.4128 4.4889 4.4903 4.5112 4.5125 4.7927 4.7927 5.0769 5.0790 5.1060 5.1080 5.4117 5.4117 6.4928 6.4929 8.5428 8.5451 9.0351 9.0366 9.6441 9.6450 11.7593 11.7597 13.2826 13.2843 13.8145 13.8169 13.8271 13.8342 k = 0.0000 0.0000 0.0000 ( 6855 PWs) bands (ev): -21.6736 -21.6736 -21.6385 -21.6385 -14.4998 -14.4998 -13.5193 -13.5193 -11.8193 -11.8193 -11.7465 -11.7465 -11.2489 -11.2489 -11.1981 -11.1981 -6.6792 -6.6792 -5.4661 -5.4661 -5.3805 -5.3805 -5.2191 -5.2191 -5.2033 -5.2033 -5.1340 -5.1340 -5.0680 -5.0680 -3.0528 -3.0528 -1.1194 -1.1194 -0.7020 -0.7020 -0.2242 -0.2242 1.9335 1.9335 2.2429 2.2429 2.3218 2.3218 3.1027 3.1027 3.1058 3.1058 4.3668 4.3668 4.4082 4.4082 4.4111 4.4111 4.4893 4.4893 4.5117 4.5117 4.7935 4.7935 5.0789 5.0789 5.1080 5.1080 5.4117 5.4117 6.4947 6.4947 8.5409 8.5409 9.0326 9.0326 9.6426 9.6426 11.7587 11.7587 13.2853 13.2853 13.8164 13.8164 13.8341 13.8341 k = 0.0000 0.0000 0.0000 ( 6855 PWs) bands (ev): -21.6736 -21.6736 -21.6385 -21.6385 -14.4998 -14.4998 -13.5193 -13.5193 -11.8193 -11.8193 -11.7465 -11.7465 -11.2489 -11.2489 -11.1981 -11.1981 -6.6792 -6.6792 -5.4661 -5.4661 -5.3805 -5.3805 -5.2191 -5.2191 -5.2033 -5.2033 -5.1340 -5.1340 -5.0680 -5.0680 -3.0528 -3.0528 -1.1194 -1.1194 -0.7020 -0.7020 -0.2242 -0.2242 1.9335 1.9335 2.2429 2.2429 2.3218 2.3218 3.1027 3.1027 3.1058 3.1058 4.3668 4.3668 4.4082 4.4082 4.4111 4.4111 4.4893 4.4893 4.5117 4.5117 4.7935 4.7935 5.0789 5.0789 5.1080 5.1080 5.4117 5.4117 6.4947 6.4947 8.5409 8.5409 9.0326 9.0326 9.6426 9.6426 11.7587 11.7587 13.2853 13.2853 13.8164 13.8164 13.8341 13.8341 k = 0.0095-0.0050-0.0149 ( 6865 PWs) bands (ev): -21.6736 -21.6736 -21.6385 -21.6385 -14.4996 -14.4992 -13.5207 -13.5195 -11.8202 -11.8179 -11.7463 -11.7463 -11.2500 -11.2486 -11.1984 -11.1984 -6.6787 -6.6766 -5.4676 -5.4642 -5.3824 -5.3786 -5.2207 -5.2173 -5.2030 -5.2030 -5.1362 -5.1319 -5.0680 -5.0680 -3.0575 -3.0570 -1.1361 -1.0986 -0.7011 -0.7009 -0.2394 -0.2005 1.8982 1.9628 2.2077 2.2642 2.3253 2.3288 3.1028 3.1028 3.1059 3.1061 4.3461 4.3689 4.3988 4.4063 4.4166 4.4286 4.4879 4.4901 4.5111 4.5114 4.7936 4.7966 5.0763 5.0805 5.1075 5.1075 5.4110 5.4115 6.4765 6.5089 8.5156 8.5714 9.0347 9.0349 9.6364 9.6570 11.7585 11.7621 13.2800 13.2868 13.8061 13.8179 13.8328 13.8346 k = 0.0190-0.0099-0.0297 ( 6861 PWs) bands (ev): -21.6736 -21.6736 -21.6386 -21.6386 -14.4986 -14.4978 -13.5235 -13.5212 -11.8205 -11.8159 -11.7455 -11.7454 -11.2517 -11.2488 -11.1993 -11.1993 -6.6752 -6.6710 -5.4687 -5.4619 -5.3843 -5.3767 -5.2220 -5.2154 -5.2022 -5.2020 -5.1384 -5.1298 -5.0680 -5.0680 -3.0710 -3.0699 -1.1483 -1.0747 -0.6984 -0.6972 -0.2455 -0.1687 1.8575 1.9848 2.1667 2.2667 2.3321 2.3510 3.1028 3.1033 3.1067 3.1072 4.3208 4.3478 4.3984 4.4010 4.4282 4.4455 4.4856 4.4907 4.5106 4.5124 4.7969 4.8027 5.0723 5.0809 5.1058 5.1062 5.4095 5.4105 6.4546 6.5184 8.4963 8.6063 9.0406 9.0423 9.6385 9.6790 11.7614 11.7689 13.2709 13.2846 13.7896 13.8111 13.8268 13.8362 k = 0.0285-0.0149-0.0446 ( 6859 PWs) bands (ev): -21.6735 -21.6735 -21.6386 -21.6386 -14.4968 -14.4956 -13.5278 -13.5243 -11.8202 -11.8134 -11.7442 -11.7439 -11.2541 -11.2497 -11.2009 -11.2006 -6.6686 -6.6624 -5.4695 -5.4593 -5.3861 -5.3748 -5.2229 -5.2136 -5.2008 -5.2002 -5.1405 -5.1278 -5.0679 -5.0679 -3.0928 -3.0912 -1.1556 -1.0486 -0.6945 -0.6905 -0.2423 -0.1292 1.8120 1.9974 2.1242 2.2593 2.3397 2.3792 3.1024 3.1037 3.1084 3.1094 4.2937 4.3215 4.3932 4.3950 4.4377 4.4504 4.4864 4.4919 4.5143 4.5168 4.8029 4.8111 5.0666 5.0802 5.1033 5.1045 5.4072 5.4087 6.4296 6.5229 8.4837 8.6446 9.0496 9.0552 9.6494 9.7083 11.7674 11.7788 13.2580 13.2786 13.7677 13.8003 13.8153 13.8363 k = 0.0380-0.0199-0.0595 ( 6857 PWs) bands (ev): -21.6734 -21.6734 -21.6387 -21.6387 -14.4942 -14.4927 -13.5335 -13.5290 -11.8194 -11.8105 -11.7425 -11.7418 -11.2572 -11.2512 -11.2031 -11.2025 -6.6591 -6.6507 -5.4698 -5.4564 -5.3879 -5.3730 -5.2236 -5.2118 -5.1990 -5.1976 -5.1425 -5.1259 -5.0679 -5.0677 -3.1227 -3.1203 -1.1582 -1.0214 -0.6896 -0.6804 -0.2294 -0.0825 1.7622 1.9950 2.0863 2.2482 2.3473 2.4073 3.1016 3.1036 3.1114 3.1131 4.2655 4.2937 4.3844 4.3880 4.4355 4.4414 4.4914 4.4965 4.5244 4.5263 4.8110 4.8210 5.0592 5.0777 5.1006 5.1026 5.4040 5.4060 6.4021 6.5221 8.4781 8.6858 9.0614 9.0743 9.6690 9.7444 11.7761 11.7918 13.2412 13.2688 13.7409 13.7875 13.7989 13.8344 k = 0.0475-0.0248-0.0744 ( 6861 PWs) bands (ev): -21.6732 -21.6732 -21.6388 -21.6388 -14.4908 -14.4889 -13.5406 -13.5350 -11.8179 -11.8072 -11.7402 -11.7389 -11.2611 -11.2535 -11.2060 -11.2047 -6.6465 -6.6361 -5.4698 -5.4531 -5.3896 -5.3712 -5.2238 -5.2101 -5.1967 -5.1942 -5.1444 -5.1241 -5.0679 -5.0676 -3.1598 -3.1564 -1.1563 -0.9942 -0.6836 -0.6665 -0.2066 -0.0292 1.7084 1.9688 2.0615 2.2353 2.3547 2.4336 3.1003 3.1028 3.1159 3.1182 4.2367 4.2649 4.3736 4.3788 4.4209 4.4271 4.4971 4.5026 4.5372 4.5423 4.8205 4.8318 5.0499 5.0729 5.0982 5.1009 5.4001 5.4024 6.3724 6.5160 8.4800 8.7291 9.0755 9.0996 9.6974 9.7868 11.7874 11.8078 13.2204 13.2554 13.7098 13.7719 13.7798 13.8307 k = 0.0570-0.0298-0.0892 ( 6867 PWs) bands (ev): -21.6731 -21.6731 -21.6389 -21.6389 -14.4866 -14.4843 -13.5490 -13.5425 -11.8160 -11.8035 -11.7375 -11.7353 -11.2658 -11.2564 -11.2093 -11.2072 -6.6310 -6.6186 -5.4694 -5.4496 -5.3911 -5.3695 -5.2238 -5.2083 -5.1939 -5.1903 -5.1461 -5.1224 -5.0680 -5.0674 -3.2036 -3.1987 -1.1502 -0.9679 -0.6767 -0.6489 -0.1741 0.0303 1.6510 1.9225 2.0465 2.2210 2.3619 2.4574 3.0985 3.1015 3.1221 3.1248 4.2074 4.2353 4.3603 4.3674 4.4016 4.4093 4.5019 4.5083 4.5526 4.5603 4.8306 4.8427 5.0389 5.0657 5.0966 5.0994 5.3954 5.3981 6.3412 6.5046 8.4892 8.7741 9.0918 9.1314 9.7342 9.8352 11.8007 11.8265 13.1957 13.2382 13.6744 13.7482 13.7641 13.8255 k = 0.0665-0.0347-0.1041 ( 6865 PWs) bands (ev): -21.6729 -21.6728 -21.6390 -21.6390 -14.4817 -14.4790 -13.5588 -13.5513 -11.8136 -11.7997 -11.7343 -11.7308 -11.2713 -11.2601 -11.2132 -11.2099 -6.6126 -6.5982 -5.4686 -5.4458 -5.3926 -5.3678 -5.2233 -5.2066 -5.1908 -5.1857 -5.1475 -5.1209 -5.0682 -5.0672 -3.2531 -3.2464 -1.1404 -0.9430 -0.6685 -0.6275 -0.1320 0.0954 1.5902 1.8664 2.0313 2.2052 2.3686 2.4786 3.0962 3.0995 3.1299 3.1332 4.1778 4.2051 4.3434 4.3528 4.3823 4.3902 4.5058 4.5131 4.5692 4.5782 4.8406 4.8531 5.0267 5.0565 5.0957 5.0982 5.3899 5.3930 6.3087 6.4881 8.5056 8.8205 9.1105 9.1697 9.7792 9.8891 11.8157 11.8475 13.1668 13.2175 13.6352 13.7181 13.7507 13.8194 k = 0.0760-0.0397-0.1190 ( 6867 PWs) bands (ev): -21.6726 -21.6726 -21.6391 -21.6391 -14.4760 -14.4729 -13.5698 -13.5614 -11.8109 -11.7957 -11.7306 -11.7254 -11.2778 -11.2645 -11.2176 -11.2129 -6.5913 -6.5750 -5.4675 -5.4418 -5.3939 -5.3663 -5.2225 -5.2048 -5.1873 -5.1807 -5.1487 -5.1196 -5.0685 -5.0671 -3.3074 -3.2987 -1.1276 -0.9198 -0.6588 -0.6024 -0.0811 0.1655 1.5265 1.8052 2.0120 2.1878 2.3748 2.4972 3.0934 3.0969 3.1394 3.1433 4.1479 4.1743 4.3222 4.3342 4.3653 4.3722 4.5091 4.5170 4.5857 4.5955 4.8500 4.8622 5.0139 5.0458 5.0952 5.0974 5.3836 5.3870 6.2753 6.4671 8.5285 8.8678 9.1320 9.2141 9.8316 9.9481 11.8317 11.8706 13.1339 13.1934 13.5923 13.6835 13.7382 13.8127 k = 0.0854-0.0447-0.1338 ( 6875 PWs) bands (ev): -21.6724 -21.6724 -21.6393 -21.6393 -14.4695 -14.4660 -13.5819 -13.5727 -11.8078 -11.7915 -11.7262 -11.7192 -11.2851 -11.2697 -11.2223 -11.2160 -6.5672 -6.5490 -5.4661 -5.4376 -5.3950 -5.3650 -5.2215 -5.2030 -5.1834 -5.1754 -5.1495 -5.1183 -5.0690 -5.0670 -3.3658 -3.3548 -1.1124 -0.8985 -0.6470 -0.5740 -0.0220 0.2401 1.4600 1.7404 1.9876 2.1680 2.3803 2.5132 3.0900 3.0938 3.1508 3.1551 4.1178 4.1428 4.2972 4.3116 4.3505 4.3563 4.5117 4.5202 4.6015 4.6116 4.8579 4.8690 5.0018 5.0346 5.0948 5.0971 5.3767 5.3803 6.2414 6.4419 8.5573 8.9158 9.1569 9.2644 9.8910 10.0116 11.8481 11.8953 13.0969 13.1662 13.5457 13.6449 13.7267 13.8057 k = 0.0949-0.0496-0.1487 ( 6873 PWs) bands (ev): -21.6721 -21.6721 -21.6394 -21.6394 -14.4622 -14.4584 -13.5951 -13.5852 -11.8046 -11.7873 -11.7213 -11.7120 -11.2933 -11.2758 -11.2273 -11.2193 -6.5403 -6.5204 -5.4643 -5.4332 -5.3960 -5.3637 -5.2201 -5.2011 -5.1792 -5.1700 -5.1496 -5.1172 -5.0697 -5.0669 -3.4274 -3.4141 -1.0953 -0.8790 -0.6326 -0.5422 0.0442 0.3187 1.3912 1.6729 1.9583 2.1455 2.3850 2.5267 3.0861 3.0901 3.1640 3.1687 4.0874 4.1106 4.2700 4.2863 4.3371 4.3420 4.5136 4.5226 4.6163 4.6264 4.8630 4.8723 4.9919 5.0237 5.0945 5.0973 5.3690 5.3728 6.2072 6.4131 8.5913 8.9637 9.1865 9.3201 9.9565 10.0792 11.8639 11.9210 13.0559 13.1364 13.4958 13.6026 13.7163 13.7989 k = 0.1044-0.0546-0.1636 ( 6873 PWs) bands (ev): -21.6718 -21.6718 -21.6396 -21.6396 -14.4543 -14.4501 -13.6093 -13.5988 -11.8013 -11.7830 -11.7157 -11.7040 -11.3024 -11.2827 -11.2325 -11.2227 -6.5108 -6.4891 -5.4622 -5.4288 -5.3967 -5.3627 -5.2184 -5.1991 -5.1748 -5.1646 -5.1490 -5.1163 -5.0707 -5.0669 -3.4916 -3.4760 -1.0770 -0.8614 -0.6150 -0.5074 0.1165 0.4006 1.3204 1.6031 1.9243 2.1199 2.3888 2.5379 3.0819 3.0861 3.1789 3.1840 4.0566 4.0776 4.2418 4.2599 4.3243 4.3286 4.5149 4.5242 4.6298 4.6399 4.8632 4.8717 4.9858 5.0144 5.0944 5.0981 5.3607 5.3647 6.1730 6.3814 8.6294 9.0105 9.2221 9.3808 10.0274 10.1505 11.8782 11.9471 13.0109 13.1045 13.4426 13.5572 13.7071 13.7925 k = 0.1139-0.0596-0.1784 ( 6869 PWs) bands (ev): -21.6714 -21.6714 -21.6398 -21.6398 -14.4456 -14.4410 -13.6245 -13.6134 -11.7979 -11.7788 -11.7093 -11.6952 -11.3122 -11.2905 -11.2379 -11.2263 -6.4787 -6.4553 -5.4599 -5.4243 -5.3972 -5.3618 -5.2166 -5.1972 -5.1702 -5.1597 -5.1471 -5.1154 -5.0719 -5.0670 -3.5576 -3.5397 -1.0580 -0.8454 -0.5938 -0.4695 0.1941 0.4852 1.2480 1.5316 1.8861 2.0909 2.3916 2.5467 3.0776 3.0819 3.1954 3.2009 4.0251 4.0436 4.2136 4.2334 4.3119 4.3156 4.5155 4.5251 4.6419 4.6518 4.8557 4.8681 4.9845 5.0078 5.0945 5.0994 5.3518 5.3558 6.1389 6.3474 8.6709 9.0549 9.2653 9.4461 10.1031 10.2250 11.8899 11.9730 12.9621 13.0712 13.3864 13.5092 13.6995 13.7870 k = 0.1234-0.0645-0.1933 ( 6867 PWs) bands (ev): -21.6711 -21.6711 -21.6400 -21.6400 -14.4362 -14.4313 -13.6404 -13.6288 -11.7946 -11.7747 -11.7022 -11.6856 -11.3227 -11.2991 -11.2434 -11.2301 -6.4442 -6.4191 -5.4573 -5.4198 -5.3974 -5.3611 -5.2145 -5.1952 -5.1657 -5.1558 -5.1434 -5.1147 -5.0734 -5.0671 -3.6249 -3.6049 -1.0388 -0.8312 -0.5683 -0.4287 0.2757 0.5718 1.1743 1.4589 1.8440 2.0584 2.3932 2.5532 3.0733 3.0777 3.2135 3.2193 3.9930 4.0087 4.1862 4.2075 4.2996 4.3029 4.5153 4.5251 4.6527 4.6622 4.8417 4.8605 4.9871 5.0048 5.0951 5.1013 5.3423 5.3463 6.1051 6.3117 8.7150 9.0960 9.3171 9.5154 10.1828 10.3022 11.8978 11.9977 12.9096 13.0372 13.3276 13.4593 13.6935 13.7827 k = 0.1329-0.0695-0.2082 ( 6875 PWs) bands (ev): -21.6707 -21.6707 -21.6402 -21.6402 -14.4261 -14.4209 -13.6571 -13.6452 -11.7914 -11.7706 -11.6943 -11.6753 -11.3339 -11.3085 -11.2490 -11.2341 -6.4072 -6.3805 -5.4544 -5.4156 -5.3972 -5.3605 -5.2123 -5.1933 -5.1615 -5.1524 -5.1384 -5.1141 -5.0750 -5.0674 -3.6929 -3.6710 -1.0198 -0.8185 -0.5384 -0.3849 0.3605 0.6595 1.1002 1.3853 1.7982 2.0221 2.3935 2.5574 3.0694 3.0739 3.2329 3.2389 3.9598 3.9727 4.1602 4.1827 4.2874 4.2904 4.5142 4.5243 4.6620 4.6708 4.8237 4.8483 4.9922 5.0053 5.0963 5.1041 5.3324 5.3362 6.0716 6.2746 8.7609 9.1339 9.3778 9.5884 10.2658 10.3818 11.9004 12.0203 12.8534 13.0030 13.2666 13.4085 13.6896 13.7799 k = 0.1424-0.0745-0.2231 ( 6875 PWs) bands (ev): -21.6704 -21.6704 -21.6404 -21.6404 -14.4153 -14.4098 -13.6745 -13.6622 -11.7883 -11.7667 -11.6857 -11.6643 -11.3457 -11.3186 -11.2548 -11.2383 -6.3680 -6.3398 -5.4514 -5.4118 -5.3965 -5.3602 -5.2101 -5.1913 -5.1579 -5.1487 -5.1329 -5.1133 -5.0768 -5.0677 -3.7612 -3.7375 -1.0012 -0.8073 -0.5040 -0.3384 0.4471 0.7464 1.0270 1.3121 1.7491 1.9821 2.3924 2.5593 3.0661 3.0708 3.2536 3.2596 3.9256 3.9358 4.1359 4.1593 4.2753 4.2779 4.5123 4.5226 4.6698 4.6777 4.8035 4.8322 4.9985 5.0084 5.0984 5.1078 5.3220 5.3256 6.0387 6.2367 8.8082 9.1691 9.4466 9.6645 10.3517 10.4631 11.8967 12.0399 12.7939 12.9692 13.2042 13.3579 13.6880 13.7789 k = 0.1519-0.0794-0.2379 ( 6883 PWs) bands (ev): -21.6700 -21.6700 -21.6406 -21.6406 -14.4039 -14.3981 -13.6924 -13.6799 -11.7853 -11.7630 -11.6762 -11.6528 -11.3579 -11.3294 -11.2607 -11.2427 -6.3266 -6.2969 -5.4482 -5.4086 -5.3950 -5.3600 -5.2078 -5.1892 -5.1549 -5.1445 -5.1281 -5.1120 -5.0783 -5.0681 -3.8294 -3.8042 -0.9832 -0.7972 -0.4651 -0.2891 0.5337 0.8269 0.9596 1.2412 1.6968 1.9384 2.3900 2.5588 3.0638 3.0687 3.2752 3.2812 3.8904 3.8980 4.1138 4.1376 4.2634 4.2657 4.5094 4.5200 4.6761 4.6824 4.7827 4.8133 5.0047 5.0127 5.1016 5.1126 5.3113 5.3147 6.0063 6.1984 8.8563 9.2025 9.5222 9.7432 10.4397 10.5459 11.8853 12.0552 12.7310 12.9355 13.1417 13.3086 13.6890 13.7801 k = 0.1614-0.0844-0.2528 ( 6869 PWs) bands (ev): -21.6696 -21.6696 -21.6409 -21.6409 -14.3919 -14.3858 -13.7108 -13.6981 -11.7824 -11.7595 -11.6661 -11.6410 -11.3704 -11.3407 -11.2668 -11.2474 -6.2832 -6.2522 -5.4448 -5.4064 -5.3928 -5.3598 -5.2056 -5.1871 -5.1522 -5.1400 -5.1254 -5.1093 -5.0791 -5.0685 -3.8969 -3.8706 -0.9660 -0.7882 -0.4220 -0.2371 0.6153 0.8583 0.9386 1.1791 1.6417 1.8911 2.3861 2.5560 3.0628 3.0680 3.2976 3.3034 3.8542 3.8598 4.0940 4.1178 4.2515 4.2537 4.5055 4.5164 4.6809 4.6845 4.7627 4.7928 5.0104 5.0174 5.1062 5.1188 5.3005 5.3035 5.9744 6.1600 8.9048 9.2350 9.6035 9.8239 10.5293 10.6295 11.8656 12.0650 12.6649 12.9004 13.0815 13.2622 13.6931 13.7839 k = 0.1709-0.0893-0.2677 ( 6887 PWs) bands (ev): -21.6692 -21.6692 -21.6411 -21.6411 -14.3794 -14.3730 -13.7296 -13.7167 -11.7797 -11.7561 -11.6553 -11.6288 -11.3831 -11.3524 -11.2730 -11.2523 -6.2380 -6.2056 -5.4413 -5.4049 -5.3902 -5.3594 -5.2035 -5.1848 -5.1496 -5.1356 -5.1254 -5.1053 -5.0788 -5.0688 -3.9636 -3.9364 -0.9496 -0.7799 -0.3748 -0.1826 0.6705 0.8322 0.9680 1.1506 1.5841 1.8403 2.3809 2.5509 3.0634 3.0690 3.3202 3.3259 3.8173 3.8215 4.0766 4.0999 4.2398 4.2419 4.5002 4.5117 4.6821 4.6845 4.7454 4.7717 5.0150 5.0214 5.1124 5.1260 5.2896 5.2926 5.9431 6.1216 8.9537 9.2670 9.6892 9.9062 10.6198 10.7136 11.8370 12.0685 12.5957 12.8608 13.0273 13.2197 13.7006 13.7905 k = 0.1804-0.0943-0.2825 ( 6879 PWs) bands (ev): -21.6688 -21.6688 -21.6413 -21.6413 -14.3663 -14.3596 -13.7486 -13.7357 -11.7771 -11.7530 -11.6441 -11.6165 -11.3958 -11.3644 -11.2794 -11.2574 -6.1911 -6.1574 -5.4376 -5.4039 -5.3878 -5.3585 -5.2016 -5.1823 -5.1473 -5.1319 -5.1270 -5.1012 -5.0766 -5.0687 -4.0290 -4.0012 -0.9339 -0.7723 -0.3239 -0.1258 0.6531 0.8667 0.9421 1.1890 1.5253 1.7862 2.3743 2.5435 3.0658 3.0719 3.3427 3.3480 3.7802 3.7840 4.0615 4.0838 4.2283 4.2304 4.4936 4.5060 4.6753 4.6852 4.7329 4.7512 5.0184 5.0243 5.1201 5.1341 5.2787 5.2825 5.9124 6.0835 9.0026 9.2990 9.7784 9.9892 10.7106 10.7975 11.7999 12.0646 12.5234 12.8123 12.9839 13.1824 13.7119 13.8003 k = 0.1899-0.0993-0.2974 ( 6875 PWs) bands (ev): -21.6684 -21.6684 -21.6415 -21.6415 -14.3527 -14.3458 -13.7678 -13.7550 -11.7746 -11.7502 -11.6326 -11.6044 -11.4082 -11.3766 -11.2860 -11.2629 -6.1428 -6.1077 -5.4339 -5.4034 -5.3862 -5.3567 -5.1999 -5.1796 -5.1456 -5.1319 -5.1264 -5.0975 -5.0738 -5.0668 -4.0930 -4.0649 -0.9190 -0.7652 -0.2696 -0.0670 0.5919 0.8766 0.9478 1.2599 1.4682 1.7290 2.3665 2.5340 3.0702 3.0770 3.3641 3.3689 3.7441 3.7480 4.0485 4.0696 4.2170 4.2193 4.4853 4.4991 4.6632 4.6828 4.7252 4.7334 5.0206 5.0260 5.1288 5.1422 5.2681 5.2741 5.8823 6.0458 9.0515 9.3312 9.8701 10.0722 10.8006 10.8808 11.7551 12.0532 12.4485 12.7533 12.9532 13.1507 13.7272 13.8135 k = 0.1994-0.1042-0.3123 ( 6875 PWs) bands (ev): -21.6681 -21.6681 -21.6417 -21.6417 -14.3387 -14.3315 -13.7870 -13.7743 -11.7722 -11.7475 -11.6210 -11.5928 -11.4201 -11.3886 -11.2927 -11.2686 -6.0932 -6.0568 -5.4302 -5.4033 -5.3856 -5.3537 -5.1984 -5.1771 -5.1464 -5.1336 -5.1238 -5.0941 -5.0728 -5.0611 -4.1552 -4.1272 -0.9048 -0.7584 -0.2124 -0.0067 0.5209 0.8066 1.0323 1.3180 1.4321 1.6696 2.3577 2.5227 3.0768 3.0844 3.3831 3.3873 3.7104 3.7148 4.0376 4.0571 4.2060 4.2086 4.4752 4.4910 4.6483 4.6751 4.7184 4.7231 5.0215 5.0264 5.1378 5.1493 5.2587 5.2684 5.8526 6.0087 9.1002 9.3636 9.9634 10.1543 10.8886 10.9630 11.7038 12.0342 12.3713 12.6859 12.9333 13.1249 13.7469 13.8303 k = 0.2089-0.1092-0.3271 ( 6883 PWs) bands (ev): -21.6677 -21.6677 -21.6420 -21.6419 -14.3242 -14.3169 -13.8062 -13.7937 -11.7699 -11.7450 -11.6097 -11.5821 -11.4308 -11.4003 -11.2997 -11.2745 -6.0426 -6.0048 -5.4266 -5.4039 -5.3859 -5.3496 -5.1973 -5.1751 -5.1505 -5.1330 -5.1215 -5.0903 -5.0727 -5.0527 -4.2154 -4.1877 -0.8911 -0.7518 -0.1526 0.0541 0.4486 0.7329 1.1150 1.3027 1.4718 1.6107 2.3480 2.5097 3.0855 3.0941 3.3976 3.4009 3.6819 3.6865 4.0285 4.0463 4.1954 4.1983 4.4633 4.4815 4.6330 4.6619 4.7116 4.7197 5.0213 5.0258 5.1455 5.1538 5.2516 5.2668 5.8235 5.9721 9.1486 9.3962 10.0570 10.2345 10.9729 11.0433 11.6485 12.0080 12.2933 12.6131 12.9210 13.1044 13.7710 13.8507 k = 0.2184-0.1142-0.3420 ( 6887 PWs) bands (ev): -21.6673 -21.6673 -21.6422 -21.6421 -14.3095 -14.3020 -13.8253 -13.8131 -11.7678 -11.7427 -11.5990 -11.5731 -11.4396 -11.4112 -11.3068 -11.2807 -5.9914 -5.9521 -5.4232 -5.4052 -5.3865 -5.3444 -5.1968 -5.1750 -5.1552 -5.1311 -5.1195 -5.0859 -5.0727 -5.0430 -4.2735 -4.2464 -0.8781 -0.7455 -0.0907 0.1128 0.3797 0.6587 1.1682 1.2741 1.5179 1.5841 2.3376 2.4955 3.0964 3.1060 3.4046 3.4067 3.6615 3.6661 4.0210 4.0370 4.1852 4.1885 4.4497 4.4708 4.6183 4.6459 4.7077 4.7174 5.0202 5.0242 5.1499 5.1548 5.2487 5.2703 5.7950 5.9363 9.1967 9.4291 10.1500 10.3113 11.0510 11.1204 11.5924 11.9747 12.2169 12.5378 12.9141 13.0886 13.7995 13.8748 k = 0.2279-0.1191-0.3569 ( 6879 PWs) bands (ev): -21.6670 -21.6670 -21.6423 -21.6423 -14.2945 -14.2869 -13.8441 -13.8322 -11.7658 -11.7405 -11.5898 -11.5666 -11.4456 -11.4207 -11.3141 -11.2870 -5.9399 -5.8988 -5.4206 -5.4072 -5.3867 -5.3385 -5.1978 -5.1784 -5.1568 -5.1292 -5.1175 -5.0813 -5.0722 -5.0322 -4.3292 -4.3029 -0.8655 -0.7393 -0.0272 0.1588 0.3255 0.5853 1.1348 1.3121 1.4803 1.6553 2.3268 2.4802 3.1096 3.1203 3.4006 3.4024 3.6526 3.6567 4.0149 4.0290 4.1755 4.1792 4.4346 4.4586 4.6049 4.6294 4.7050 4.7152 5.0181 5.0217 5.1486 5.1529 5.2515 5.2791 5.7671 5.9011 9.2444 9.4622 10.2407 10.3831 11.1205 11.1904 11.5417 11.9329 12.1471 12.4619 12.9110 13.0766 13.8320 13.9024 k = 0.2374-0.1241-0.3718 ( 6879 PWs) bands (ev): -21.6667 -21.6667 -21.6425 -21.6425 -14.2794 -14.2717 -13.8625 -13.8510 -11.7639 -11.7386 -11.5830 -11.5633 -11.4480 -11.4281 -11.3216 -11.2936 -5.8886 -5.8454 -5.4208 -5.4081 -5.3865 -5.3320 -5.2027 -5.1823 -5.1552 -5.1279 -5.1150 -5.0773 -5.0701 -5.0203 -4.3825 -4.3570 -0.8534 -0.7333 0.0366 0.1579 0.3204 0.5141 1.0671 1.3294 1.4760 1.7418 2.3156 2.4642 3.1249 3.1366 3.3842 3.3873 3.6558 3.6594 4.0099 4.0223 4.1665 4.1705 4.4184 4.4452 4.5927 4.6139 4.7025 4.7127 5.0152 5.0185 5.1428 5.1478 5.2600 5.2922 5.7398 5.8668 9.2916 9.4952 10.3272 10.4481 11.1789 11.2429 11.5090 11.8786 12.0918 12.3875 12.9106 13.0675 13.8682 13.9333 k = 0.2468-0.1290-0.3866 ( 6873 PWs) bands (ev): -21.6664 -21.6664 -21.6427 -21.6427 -14.2642 -14.2566 -13.8803 -13.8693 -11.7622 -11.7368 -11.5802 -11.5629 -11.4466 -11.4321 -11.3292 -11.3003 -5.8380 -5.7922 -5.4252 -5.4063 -5.3857 -5.3252 -5.2128 -5.1836 -5.1523 -5.1274 -5.1120 -5.0754 -5.0646 -5.0075 -4.4334 -4.4085 -0.8417 -0.7274 0.0949 0.1116 0.3673 0.4471 0.9919 1.2805 1.5374 1.8289 2.3045 2.4478 3.1422 3.1549 3.3584 3.3630 3.6690 3.6723 4.0059 4.0165 4.1582 4.1627 4.4016 4.4308 4.5815 4.5995 4.7000 4.7099 5.0113 5.0144 5.1346 5.1398 5.2729 5.3083 5.7133 5.8333 9.3382 9.5281 10.4060 10.5042 11.2225 11.2635 11.5126 11.8092 12.0580 12.3170 12.9123 13.0609 13.9076 13.9670 k = 0.2563-0.1340-0.4015 ( 6873 PWs) bands (ev): -21.6661 -21.6661 -21.6428 -21.6428 -14.2492 -14.2417 -13.8974 -13.8869 -11.7607 -11.7352 -11.5826 -11.5648 -11.4425 -11.4313 -11.3370 -11.3071 -5.7887 -5.7396 -5.4323 -5.4031 -5.3845 -5.3183 -5.2258 -5.1830 -5.1491 -5.1274 -5.1086 -5.0747 -5.0564 -4.9934 -4.4818 -4.4571 -0.8304 -0.7216 0.0409 0.1561 0.3893 0.4311 0.9138 1.2105 1.6170 1.9148 2.2934 2.4313 3.1615 3.1750 3.3267 3.3324 3.6890 3.6922 4.0025 4.0115 4.1509 4.1559 4.3847 4.4156 4.5713 4.5866 4.6972 4.7068 5.0065 5.0093 5.1258 5.1301 5.2886 5.3264 5.6879 5.8007 9.3840 9.5607 10.4710 10.5511 11.2300 11.2760 11.5502 11.7279 12.0464 12.2538 12.9155 13.0563 13.9497 14.0032 k = 0.2658-0.1390-0.4164 ( 6878 PWs) bands (ev): -21.6659 -21.6659 -21.6429 -21.6429 -14.2344 -14.2271 -13.9136 -13.9038 -11.7593 -11.7337 -11.5894 -11.5690 -11.4369 -11.4251 -11.3449 -11.3138 -5.7415 -5.6881 -5.4411 -5.3993 -5.3829 -5.3123 -5.2394 -5.1816 -5.1458 -5.1279 -5.1051 -5.0741 -5.0458 -4.9780 -4.5278 -4.5028 -0.8196 -0.7160 -0.0269 0.1866 0.3597 0.4988 0.8348 1.1344 1.6991 1.9986 2.2826 2.4149 3.1823 3.1964 3.2920 3.2983 3.7133 3.7165 3.9994 4.0068 4.1447 4.1505 4.3681 4.4001 4.5617 4.5749 4.6941 4.7032 5.0005 5.0031 5.1171 5.1200 5.3061 5.3454 5.6637 5.7693 9.4289 9.5926 10.5112 10.5925 11.2061 11.3003 11.5866 11.6522 12.0533 12.2036 12.9200 13.0538 13.9936 14.0414 k = 0.2753-0.1439-0.4312 ( 6882 PWs) bands (ev): -21.6657 -21.6657 -21.6430 -21.6430 -14.2202 -14.2132 -13.9285 -13.9196 -11.7582 -11.7325 -11.5991 -11.5758 -11.4295 -11.4155 -11.3529 -11.3204 -5.6972 -5.6384 -5.4511 -5.3955 -5.3808 -5.3092 -5.2508 -5.1798 -5.1428 -5.1282 -5.1018 -5.0734 -5.0325 -4.9608 -4.5714 -4.5452 -0.8091 -0.7107 -0.0947 0.1678 0.3815 0.5655 0.7580 1.0555 1.7802 2.0796 2.2722 2.3988 3.2036 3.2171 3.2581 3.2638 3.7400 3.7433 3.9962 4.0021 4.1400 4.1467 4.3524 4.3847 4.5524 4.5643 4.6906 4.6994 4.9931 4.9958 5.1092 5.1106 5.3243 5.3645 5.6416 5.7393 9.4728 9.6238 10.5191 10.6287 11.1827 11.3226 11.5268 11.6639 12.0738 12.1745 12.9255 13.0532 14.0388 14.0808 k = 0.2848-0.1489-0.4461 ( 6884 PWs) bands (ev): -21.6655 -21.6655 -21.6431 -21.6431 -14.2067 -14.2003 -13.9420 -13.9340 -11.7573 -11.7314 -11.6103 -11.5849 -11.4201 -11.4043 -11.3609 -11.3264 -5.6566 -5.5912 -5.4619 -5.3918 -5.3782 -5.3126 -5.2561 -5.1778 -5.1406 -5.1282 -5.0989 -5.0726 -5.0157 -4.9416 -4.6127 -4.5844 -0.7992 -0.7057 -0.1613 0.1190 0.4337 0.6112 0.7042 0.9757 1.8590 2.1572 2.2625 2.3833 3.2090 3.2142 3.2418 3.2535 3.7678 3.7713 3.9925 3.9968 4.1371 4.1449 4.3378 4.3698 4.5435 4.5547 4.6868 4.6951 4.9839 4.9872 5.1014 5.1038 5.3424 5.3823 5.6224 5.7111 9.5154 9.6536 10.4991 10.6517 11.1662 11.3391 11.4388 11.6932 12.1034 12.1746 12.9320 13.0550 14.0845 14.1211 k = 0.2943-0.1539-0.4610 ( 6872 PWs) bands (ev): -21.6653 -21.6653 -21.6431 -21.6431 -14.1944 -14.1888 -13.9535 -13.9467 -11.7567 -11.7305 -11.6224 -11.5956 -11.4096 -11.3928 -11.3688 -11.3312 -5.6206 -5.5477 -5.4731 -5.3888 -5.3743 -5.3232 -5.2540 -5.1757 -5.1394 -5.1273 -5.0964 -5.0718 -4.9950 -4.9201 -4.6514 -4.6204 -0.7897 -0.7011 -0.2259 0.0623 0.4822 0.5837 0.7342 0.8985 1.9343 2.2292 2.2551 2.3686 3.1768 3.1835 3.2613 3.2768 3.7960 3.7996 3.9879 3.9906 4.1364 4.1454 4.3249 4.3559 4.5346 4.5457 4.6826 4.6904 4.9729 4.9772 5.0945 5.0996 5.3597 5.3972 5.6078 5.6853 9.5564 9.6818 10.4585 10.6560 11.1524 11.3038 11.4043 11.7086 12.1428 12.2025 12.9393 13.0594 14.1299 14.1614 k = 0.3038-0.1588-0.4758 ( 6874 PWs) bands (ev): -21.6652 -21.6652 -21.6432 -21.6432 -14.1837 -14.1790 -13.9627 -13.9574 -11.7565 -11.7298 -11.6346 -11.6075 -11.3992 -11.3822 -11.3762 -11.3338 -5.5903 -5.5094 -5.4839 -5.3875 -5.3689 -5.3367 -5.2475 -5.1735 -5.1392 -5.1255 -5.0943 -5.0709 -4.9699 -4.8959 -4.6876 -4.6532 -0.7809 -0.6971 -0.2881 0.0044 0.4571 0.5989 0.7682 0.8515 2.0055 2.2427 2.3020 2.3552 3.1424 3.1489 3.2880 3.3042 3.8238 3.8275 3.9821 3.9833 4.1381 4.1482 4.3140 4.3433 4.5259 4.5373 4.6780 4.6853 4.9603 4.9658 5.0897 5.0975 5.3747 5.4070 5.5998 5.6629 9.5956 9.7076 10.4042 10.6417 11.1288 11.2173 11.4323 11.7157 12.1946 12.2472 12.9476 13.0666 14.1745 14.2012 k = 0.3133-0.1638-0.4907 ( 6878 PWs) bands (ev): -21.6651 -21.6651 -21.6432 -21.6432 -14.1750 -14.1716 -13.9690 -13.9654 -11.7568 -11.7294 -11.6468 -11.6201 -11.3916 -11.3852 -11.3703 -11.3324 -5.5672 -5.4934 -5.4776 -5.3893 -5.3641 -5.3451 -5.2395 -5.1715 -5.1394 -5.1231 -5.0926 -5.0700 -4.9403 -4.8690 -4.7210 -4.6827 -0.7729 -0.6939 -0.3472 -0.0524 0.3819 0.6516 0.7225 0.8982 2.0715 2.2352 2.3390 2.3695 3.1096 3.1157 3.3168 3.3332 3.8504 3.8542 3.9745 3.9752 4.1425 4.1533 4.3055 4.3326 4.5172 4.5291 4.6730 4.6798 4.9463 4.9530 5.0870 5.0975 5.3856 5.4101 5.6003 5.6454 9.6322 9.7302 10.3424 10.6120 11.0703 11.1464 11.4749 11.7238 12.2548 12.3017 12.9566 13.0770 14.2174 14.2399 k = 0.3228-0.1688-0.5056 ( 6878 PWs) bands (ev): -21.6650 -21.6650 -21.6432 -21.6432 -14.1688 -14.1669 -13.9722 -13.9705 -11.7576 -11.7293 -11.6585 -11.6328 -11.3933 -11.3888 -11.3587 -11.3263 -5.5546 -5.4970 -5.4566 -5.3954 -5.3653 -5.3382 -5.2314 -5.1696 -5.1397 -5.1206 -5.0912 -5.0693 -4.9069 -4.8397 -4.7510 -4.7085 -0.7659 -0.6917 -0.4026 -0.1071 0.2991 0.6182 0.7476 0.9686 2.1310 2.2282 2.3289 2.4267 3.0796 3.0853 3.3469 3.3633 3.8748 3.8789 3.9655 3.9671 4.1494 4.1602 4.2998 4.3240 4.5086 4.5212 4.6675 4.6739 4.9314 4.9391 5.0865 5.0993 5.3893 5.4075 5.6088 5.6351 9.6652 9.7488 10.2784 10.5714 10.9769 11.0945 11.5244 11.7381 12.3168 12.3640 12.9666 13.0908 14.2580 14.2768 k = 0.3323-0.1737-0.5205 ( 6870 PWs) bands (ev): -21.6649 -21.6649 -21.6432 -21.6432 -14.1655 -14.1651 -13.9723 -13.9721 -11.7592 -11.7296 -11.6695 -11.6455 -11.4009 -11.3911 -11.3458 -11.3166 -5.5549 -5.4934 -5.4487 -5.4007 -5.3666 -5.3225 -5.2241 -5.1681 -5.1396 -5.1180 -5.0901 -5.0686 -4.8724 -4.8107 -4.7754 -4.7280 -0.7604 -0.6911 -0.4535 -0.1591 0.2147 0.5398 0.8171 1.0420 2.1817 2.2228 2.3198 2.4780 3.0534 3.0590 3.3781 3.3944 3.8945 3.8997 3.9583 3.9599 4.1583 4.1681 4.2974 4.3182 4.5000 4.5134 4.6616 4.6675 4.9157 4.9244 5.0882 5.1027 5.3828 5.4022 5.6202 5.6371 9.6923 9.7627 10.2176 10.5238 10.8750 11.0384 11.5775 11.7590 12.3760 12.4328 12.9776 13.1079 14.2956 14.3114 k = 0.3418-0.1787-0.5353 ( 6884 PWs) bands (ev): -21.6649 -21.6649 -21.6431 -21.6431 -14.1661 -14.1650 -13.9708 -13.9689 -11.7616 -11.7305 -11.6795 -11.6577 -11.4085 -11.3959 -11.3322 -11.3052 -5.5636 -5.4887 -5.4518 -5.4000 -5.3663 -5.3043 -5.2177 -5.1670 -5.1389 -5.1155 -5.0892 -5.0681 -4.8481 -4.7942 -4.7830 -4.7301 -0.7573 -0.6925 -0.4985 -0.2081 0.1304 0.4584 0.8901 1.1158 2.2089 2.2307 2.3147 2.5209 3.0322 3.0383 3.4101 3.4261 3.9032 3.9111 3.9582 3.9599 4.1684 4.1761 4.2984 4.3155 4.4914 4.5057 4.6551 4.6606 4.8997 4.9090 5.0918 5.1075 5.3689 5.3935 5.6289 5.6548 9.7080 9.7738 10.1649 10.4723 10.7721 10.9746 11.6312 11.7844 12.4321 12.5054 12.9898 13.1280 14.3294 14.3432 k = 0.3513-0.1836-0.5502 ( 6882 PWs) bands (ev): -21.6649 -21.6649 -21.6431 -21.6431 -14.1693 -14.1671 -13.9663 -13.9629 -11.7650 -11.7323 -11.6882 -11.6691 -11.4159 -11.4019 -11.3184 -11.2931 -5.5756 -5.4933 -5.4530 -5.3961 -5.3653 -5.2864 -5.2126 -5.1663 -5.1375 -5.1130 -5.0885 -5.0677 -4.8526 -4.8014 -4.7560 -4.7040 -0.7579 -0.6962 -0.5360 -0.2539 0.0470 0.3771 0.9636 1.1893 2.2069 2.2521 2.3182 2.5535 3.0171 3.0248 3.4428 3.4584 3.8976 3.9081 3.9689 3.9726 4.1785 4.1835 4.3031 4.3166 4.4828 4.4981 4.6481 4.6532 4.8836 4.8934 5.0973 5.1134 5.3517 5.3802 5.6410 5.6794 9.7040 9.7868 10.1246 10.4189 10.6710 10.9051 11.6835 11.8122 12.4858 12.5786 13.0032 13.1508 14.3588 14.3716 k = 0.3608-0.1886-0.5651 ( 6882 PWs) bands (ev): -21.6649 -21.6649 -21.6430 -21.6430 -14.1743 -14.1713 -13.9594 -13.9550 -11.7695 -11.7352 -11.6955 -11.6793 -11.4230 -11.4085 -11.3047 -11.2810 -5.5889 -5.5079 -5.4478 -5.3922 -5.3638 -5.2705 -5.2085 -5.1658 -5.1354 -5.1106 -5.0879 -5.0674 -4.8696 -4.8170 -4.7130 -4.6647 -0.7649 -0.7012 -0.5643 -0.2963 -0.0347 0.2969 1.0368 1.2620 2.2026 2.2584 2.3310 2.5744 3.0091 3.0200 3.4758 3.4907 3.8841 3.8964 3.9860 3.9906 4.1876 4.1900 4.3109 4.3218 4.4743 4.4906 4.6407 4.6453 4.8676 4.8778 5.1042 5.1199 5.3336 5.3634 5.6576 5.7065 9.6789 9.8015 10.0986 10.3648 10.5742 10.8325 11.7329 11.8402 12.5376 12.6505 13.0179 13.1757 14.3833 14.3960 k = 0.3703-0.1936-0.5799 ( 6882 PWs) bands (ev): -21.6649 -21.6649 -21.6429 -21.6429 -14.1806 -14.1770 -13.9508 -13.9456 -11.7750 -11.7397 -11.7012 -11.6879 -11.4298 -11.4153 -11.2913 -11.2690 -5.6024 -5.5263 -5.4406 -5.3888 -5.3619 -5.2575 -5.2053 -5.1653 -5.1327 -5.1083 -5.0875 -5.0672 -4.8879 -4.8339 -4.6652 -4.6210 -0.7802 -0.7058 -0.5834 -0.3352 -0.1141 0.2184 1.1094 1.3335 2.1985 2.2557 2.3440 2.5829 3.0084 3.0248 3.5087 3.5228 3.8676 3.8814 4.0045 4.0097 4.1944 4.1960 4.3214 4.3308 4.4659 4.4833 4.6327 4.6370 4.8521 4.8624 5.1123 5.1261 5.3159 5.3448 5.6774 5.7349 9.6384 9.8135 10.0851 10.3093 10.4852 10.7587 11.7783 11.8672 12.5877 12.7197 13.0342 13.2019 14.4023 14.4160 k = 0.3798-0.1985-0.5948 ( 6886 PWs) bands (ev): -21.6650 -21.6650 -21.6429 -21.6429 -14.1875 -14.1837 -13.9410 -13.9353 -11.7814 -11.7460 -11.7053 -11.6946 -11.4362 -11.4221 -11.2784 -11.2576 -5.6158 -5.5456 -5.4337 -5.3862 -5.3597 -5.2480 -5.2023 -5.1646 -5.1297 -5.1061 -5.0872 -5.0672 -4.9051 -4.8504 -4.6157 -4.5753 -0.8028 -0.7093 -0.5951 -0.3709 -0.1900 0.1422 1.1809 1.4036 2.1948 2.2502 2.3508 2.5801 3.0151 3.0385 3.5411 3.5540 3.8500 3.8654 4.0227 4.0284 4.1990 4.2017 4.3340 4.3424 4.4578 4.4763 4.6244 4.6283 4.8371 4.8474 5.1209 5.1313 5.3001 5.3260 5.6993 5.7635 9.5889 9.8200 10.0798 10.2494 10.4098 10.6856 11.8193 11.8924 12.6363 12.7850 13.0523 13.2286 14.4157 14.4308 k = 0.6202 0.1043-0.3766 ( 6886 PWs) bands (ev): -21.6650 -21.6650 -21.6429 -21.6429 -14.1875 -14.1837 -13.9410 -13.9353 -11.7814 -11.7460 -11.7053 -11.6946 -11.4362 -11.4221 -11.2784 -11.2576 -5.6158 -5.5456 -5.4337 -5.3862 -5.3597 -5.2480 -5.2023 -5.1646 -5.1297 -5.1061 -5.0872 -5.0672 -4.9051 -4.8504 -4.6157 -4.5753 -0.8028 -0.7093 -0.5951 -0.3709 -0.1900 0.1421 1.1809 1.4036 2.1948 2.2502 2.3508 2.5801 3.0151 3.0385 3.5411 3.5540 3.8500 3.8654 4.0227 4.0284 4.1990 4.2017 4.3340 4.3424 4.4578 4.4764 4.6244 4.6283 4.8371 4.8474 5.1209 5.1313 5.3001 5.3260 5.6993 5.7635 9.5889 9.8200 10.0798 10.2494 10.4098 10.6856 11.8193 11.8924 12.6363 12.7850 13.0523 13.2286 14.4157 14.4308 k = 0.6110 0.1195-0.3766 ( 6880 PWs) bands (ev): -21.6650 -21.6650 -21.6428 -21.6428 -14.1945 -14.1906 -13.9308 -13.9250 -11.7880 -11.7535 -11.7081 -11.6995 -11.4421 -11.4286 -11.2664 -11.2469 -5.6283 -5.5641 -5.4274 -5.3841 -5.3572 -5.2424 -5.1991 -5.1638 -5.1265 -5.1040 -5.0870 -5.0671 -4.9204 -4.8657 -4.5672 -4.5303 -0.8287 -0.7124 -0.6019 -0.4033 -0.2591 0.0704 1.2494 1.4702 2.1915 2.2442 2.3500 2.5684 3.0282 3.0585 3.5713 3.5828 3.8330 3.8501 4.0395 4.0457 4.2028 4.2064 4.3473 4.3547 4.4505 4.4702 4.6159 4.6194 4.8232 4.8335 5.1287 5.1342 5.2876 5.3093 5.7218 5.7910 9.5372 9.8192 10.0782 10.1839 10.3550 10.6166 11.8546 11.9148 12.6821 12.8437 13.0720 13.2545 14.4233 14.4398 k = 0.6017 0.1348-0.3766 ( 6884 PWs) bands (ev): -21.6651 -21.6651 -21.6427 -21.6427 -14.2016 -14.1977 -13.9204 -13.9145 -11.7948 -11.7620 -11.7101 -11.7031 -11.4476 -11.4348 -11.2549 -11.2369 -5.6402 -5.5820 -5.4219 -5.3827 -5.3543 -5.2403 -5.1952 -5.1629 -5.1232 -5.1020 -5.0869 -5.0671 -4.9340 -4.8802 -4.5194 -4.4857 -0.8556 -0.7163 -0.6061 -0.4353 -0.3210 0.0016 1.3164 1.5349 2.1885 2.2381 2.3423 2.5499 3.0469 3.0830 3.5989 3.6086 3.8177 3.8365 4.0551 4.0616 4.2065 4.2105 4.3603 4.3666 4.4442 4.4652 4.6071 4.6103 4.8103 4.8204 5.1319 5.1364 5.2786 5.2965 5.7449 5.8176 9.4856 9.8104 10.0734 10.1163 10.3187 10.5517 11.8855 11.9347 12.7263 12.8962 13.0943 13.2796 14.4261 14.4435 k = 0.5925 0.1501-0.3766 ( 6890 PWs) bands (ev): -21.6651 -21.6651 -21.6426 -21.6426 -14.2085 -14.2048 -13.9101 -13.9043 -11.8016 -11.7710 -11.7115 -11.7057 -11.4527 -11.4408 -11.2442 -11.2276 -5.6513 -5.5990 -5.4169 -5.3817 -5.3511 -5.2412 -5.1909 -5.1620 -5.1199 -5.1000 -5.0870 -5.0672 -4.9459 -4.8937 -4.4729 -4.4422 -0.8815 -0.7218 -0.6091 -0.4700 -0.3714 -0.0638 1.3819 1.5976 2.1857 2.2323 2.3286 2.5266 3.0698 3.1103 3.6218 3.6292 3.8064 3.8268 4.0688 4.0754 4.2102 4.2149 4.3715 4.3769 4.4399 4.4618 4.5982 4.6010 4.7985 4.8081 5.1275 5.1386 5.2730 5.2901 5.7680 5.8427 9.4365 9.7928 10.0295 10.0855 10.2968 10.4924 11.9121 11.9521 12.7687 12.9413 13.1196 13.3033 14.4248 14.4424 k = 0.5832 0.1654-0.3766 ( 6888 PWs) bands (ev): -21.6652 -21.6652 -21.6425 -21.6425 -14.2150 -14.2115 -13.9001 -13.8946 -11.8081 -11.7799 -11.7124 -11.7076 -11.4573 -11.4464 -11.2341 -11.2192 -5.6614 -5.6148 -5.4125 -5.3812 -5.3475 -5.2441 -5.1864 -5.1611 -5.1167 -5.0981 -5.0870 -5.0673 -4.9562 -4.9064 -4.4284 -4.4007 -0.9054 -0.7295 -0.6122 -0.5096 -0.4071 -0.1254 1.4457 1.6580 2.1829 2.2269 2.3104 2.4998 3.0960 3.1391 3.6365 3.6419 3.8023 3.8237 4.0803 4.0867 4.2146 4.2200 4.3792 4.3842 4.4390 4.4607 4.5892 4.5917 4.7878 4.7969 5.1189 5.1363 5.2716 5.2905 5.7908 5.8660 9.3919 9.7657 9.9647 10.0769 10.2848 10.4410 11.9348 11.9672 12.8091 12.9781 13.1484 13.3251 14.4204 14.4375 k = 0.5740 0.1806-0.3766 ( 6886 PWs) bands (ev): -21.6653 -21.6653 -21.6424 -21.6424 -14.2210 -14.2178 -13.8906 -13.8855 -11.8140 -11.7887 -11.7131 -11.7090 -11.4614 -11.4515 -11.2249 -11.2115 -5.6705 -5.6295 -5.4085 -5.3810 -5.3435 -5.2485 -5.1821 -5.1602 -5.1136 -5.0963 -5.0871 -5.0674 -4.9648 -4.9182 -4.3864 -4.3617 -0.9264 -0.7405 -0.6169 -0.5496 -0.4300 -0.1827 1.5075 1.7157 2.1796 2.2220 2.2890 2.4706 3.1242 3.1683 3.6400 3.6453 3.8082 3.8293 4.0889 4.0948 4.2199 4.2261 4.3826 4.3871 4.4425 4.4625 4.5805 4.5826 4.7783 4.7867 5.1079 5.1289 5.2751 5.2956 5.8130 5.8869 9.3531 9.7275 9.9089 10.0640 10.2797 10.3993 11.9539 11.9800 12.8473 13.0067 13.1799 13.3444 14.4142 14.4301 k = 0.5647 0.1959-0.3766 ( 6886 PWs) bands (ev): -21.6653 -21.6653 -21.6424 -21.6424 -14.2265 -14.2236 -13.8818 -13.8772 -11.8194 -11.7969 -11.7136 -11.7101 -11.4650 -11.4563 -11.2166 -11.2047 -5.6784 -5.6429 -5.4050 -5.3811 -5.3392 -5.2539 -5.1782 -5.1596 -5.1107 -5.0947 -5.0870 -5.0677 -4.9719 -4.9291 -4.3476 -4.3258 -0.9440 -0.7564 -0.6261 -0.5810 -0.4447 -0.2352 1.5674 1.7705 2.1752 2.2177 2.2662 2.4396 3.1537 3.1972 3.6324 3.6397 3.8235 3.8431 4.0941 4.0992 4.2263 4.2333 4.3822 4.3860 4.4496 4.4666 4.5720 4.5738 4.7702 4.7777 5.0956 5.1177 5.2828 5.3033 5.8344 5.9050 9.3209 9.6782 9.8672 10.0439 10.2790 10.3682 11.9697 11.9907 12.8829 13.0279 13.2128 13.3610 14.4070 14.4214 k = 0.5555 0.2112-0.3766 ( 6890 PWs) bands (ev): -21.6654 -21.6654 -21.6423 -21.6423 -14.2313 -14.2288 -13.8739 -13.8698 -11.8240 -11.8045 -11.7140 -11.7110 -11.4680 -11.4605 -11.2091 -11.1989 -5.6851 -5.6549 -5.4018 -5.3815 -5.3345 -5.2599 -5.1746 -5.1591 -5.1080 -5.0936 -5.0865 -5.0681 -4.9774 -4.9392 -4.3125 -4.2937 -0.9576 -0.7786 -0.6410 -0.5984 -0.4540 -0.2826 1.6250 1.8216 2.1686 2.2141 2.2440 2.4074 3.1837 3.2254 3.6176 3.6273 3.8450 3.8626 4.0958 4.0998 4.2338 4.2412 4.3793 4.3826 4.4583 4.4721 4.5641 4.5656 4.7633 4.7700 5.0834 5.1046 5.2930 5.3120 5.8547 5.9201 9.2964 9.6216 9.8388 10.0171 10.2812 10.3470 11.9827 11.9994 12.9157 13.0431 13.2454 13.3746 14.3997 14.4123 k = 0.5462 0.2265-0.3766 ( 6890 PWs) bands (ev): -21.6654 -21.6654 -21.6422 -21.6422 -14.2354 -14.2333 -13.8670 -13.8634 -11.8278 -11.8114 -11.7142 -11.7117 -11.4706 -11.4642 -11.2026 -11.1941 -5.6904 -5.6654 -5.3989 -5.3822 -5.3295 -5.2664 -5.1715 -5.1589 -5.1056 -5.0932 -5.0853 -5.0687 -4.9814 -4.9484 -4.2815 -4.2658 -0.9670 -0.8066 -0.6545 -0.6077 -0.4596 -0.3243 1.6803 1.8681 2.1581 2.2111 2.2254 2.3746 3.2133 3.2522 3.5992 3.6107 3.8694 3.8849 4.0939 4.0967 4.2420 4.2493 4.3753 4.3781 4.4671 4.4780 4.5569 4.5581 4.7578 4.7634 5.0720 5.0911 5.3040 5.3207 5.8736 5.9319 9.2799 9.5626 9.8210 9.9856 10.2852 10.3335 11.9933 12.0063 12.9455 13.0533 13.2762 13.3849 14.3929 14.4036 k = 0.5370 0.2417-0.3766 ( 6884 PWs) bands (ev): -21.6655 -21.6655 -21.6422 -21.6422 -14.2388 -14.2371 -13.8611 -13.8582 -11.8307 -11.8175 -11.7143 -11.7124 -11.4725 -11.4674 -11.1971 -11.1902 -5.6945 -5.6746 -5.3963 -5.3830 -5.3242 -5.2730 -5.1688 -5.1589 -5.1034 -5.0933 -5.0836 -5.0695 -4.9839 -4.9567 -4.2552 -4.2425 -0.9718 -0.8376 -0.6621 -0.6152 -0.4621 -0.3600 1.7331 1.9076 2.1443 2.2060 2.2149 2.3414 3.2420 3.2767 3.5798 3.5922 3.8945 3.9078 4.0889 4.0907 4.2503 4.2571 4.3711 4.3733 4.4752 4.4836 4.5505 4.5515 4.7534 4.7580 5.0622 5.0783 5.3147 5.3284 5.8909 5.9402 9.2719 9.5050 9.8115 9.9522 10.2901 10.3252 12.0017 12.0116 12.9721 13.0591 13.3043 13.3916 14.3870 14.3957 k = 0.5277 0.2570-0.3766 ( 6884 PWs) bands (ev): -21.6655 -21.6655 -21.6421 -21.6421 -14.2414 -14.2401 -13.8563 -13.8541 -11.8326 -11.8226 -11.7143 -11.7129 -11.4739 -11.4701 -11.1926 -11.1874 -5.6971 -5.6823 -5.3940 -5.3841 -5.3186 -5.2799 -5.1664 -5.1591 -5.1015 -5.0939 -5.0816 -5.0706 -4.9850 -4.9640 -4.2339 -4.2244 -0.9718 -0.8684 -0.6642 -0.6230 -0.4620 -0.3896 1.7831 1.9358 2.1319 2.1968 2.2138 2.3089 3.2687 3.2978 3.5613 3.5734 3.9186 3.9296 4.0811 4.0826 4.2580 4.2637 4.3672 4.3688 4.4822 4.4884 4.5452 4.5460 4.7503 4.7537 5.0545 5.0671 5.3242 5.3347 5.9063 5.9450 9.2727 9.4513 9.8093 9.9194 10.2952 10.3198 12.0082 12.0154 12.9954 13.0609 13.3291 13.3947 14.3823 14.3890 k = 0.5185 0.2723-0.3766 ( 6880 PWs) bands (ev): -21.6655 -21.6655 -21.6421 -21.6421 -14.2432 -14.2424 -13.8527 -13.8512 -11.8335 -11.8268 -11.7143 -11.7133 -11.4747 -11.4722 -11.1891 -11.1856 -5.6983 -5.6884 -5.3919 -5.3853 -5.3126 -5.2867 -5.1645 -5.1596 -5.0998 -5.0947 -5.0795 -5.0719 -4.9846 -4.9704 -4.2180 -4.2116 -0.9669 -0.8968 -0.6620 -0.6316 -0.4592 -0.4131 1.8297 1.9461 2.1293 2.1867 2.2164 2.2785 3.2920 3.3136 3.5462 3.5564 3.9399 3.9482 4.0720 4.0737 4.2645 4.2687 4.3641 4.3651 4.4878 4.4919 4.5411 4.5417 4.7482 4.7505 5.0494 5.0580 5.3320 5.3390 5.9197 5.9463 9.2822 9.4030 9.8136 9.8891 10.3002 10.3159 12.0130 12.0176 13.0152 13.0590 13.3501 13.3938 14.3792 14.3837 k = 0.5092 0.2875-0.3766 ( 6878 PWs) bands (ev): -21.6655 -21.6655 -21.6421 -21.6421 -14.2442 -14.2438 -13.8504 -13.8497 -11.8334 -11.8300 -11.7141 -11.7136 -11.4750 -11.4737 -11.1866 -11.1849 -5.6981 -5.6931 -5.3900 -5.3867 -5.3064 -5.2934 -5.1628 -5.1604 -5.0983 -5.0958 -5.0773 -5.0735 -4.9829 -4.9757 -4.2077 -4.2045 -0.9568 -0.9215 -0.6568 -0.6406 -0.4534 -0.4312 1.8722 1.9354 2.1398 2.1741 2.2225 2.2525 3.3102 3.3218 3.5372 3.5431 3.9563 3.9609 4.0644 4.0657 4.2692 4.2714 4.3622 4.3626 4.4917 4.4938 4.5386 4.5389 4.7472 4.7484 5.0471 5.0515 5.3375 5.3410 5.9306 5.9442 9.3003 9.3613 9.8242 9.8625 10.3048 10.3124 12.0163 12.0186 13.0315 13.0534 13.3672 13.3890 14.3777 14.3800 k = 0.5000 0.3028-0.3766 ( 6884 PWs) bands (ev): -21.6656 -21.6656 -21.6421 -21.6421 -14.2444 -14.2444 -13.8494 -13.8494 -11.8322 -11.8322 -11.7139 -11.7139 -11.4746 -11.4746 -11.1852 -11.1852 -5.6963 -5.6963 -5.3882 -5.3882 -5.3000 -5.3000 -5.1614 -5.1614 -5.0969 -5.0969 -5.0754 -5.0754 -4.9799 -4.9799 -4.2032 -4.2032 -0.9416 -0.9416 -0.6493 -0.6493 -0.4443 -0.4443 1.9086 1.9086 2.1574 2.1574 2.2338 2.2338 3.3207 3.3207 3.5361 3.5361 3.9641 3.9641 4.0618 4.0618 4.2716 4.2716 4.3616 4.3616 4.4938 4.4938 4.5378 4.5378 4.7473 4.7473 5.0478 5.0478 5.3405 5.3405 5.9389 5.9389 9.3268 9.3268 9.8407 9.8407 10.3088 10.3088 12.0181 12.0181 13.0443 13.0443 13.3802 13.3802 14.3780 14.3780 k = 0.5000 0.3028-0.3766 ( 6884 PWs) bands (ev): -21.6656 -21.6656 -21.6421 -21.6421 -14.2444 -14.2444 -13.8494 -13.8494 -11.8322 -11.8322 -11.7139 -11.7139 -11.4746 -11.4746 -11.1852 -11.1852 -5.6963 -5.6963 -5.3882 -5.3882 -5.3000 -5.3000 -5.1614 -5.1614 -5.0969 -5.0969 -5.0754 -5.0754 -4.9799 -4.9799 -4.2032 -4.2032 -0.9416 -0.9416 -0.6493 -0.6493 -0.4443 -0.4443 1.9086 1.9086 2.1574 2.1574 2.2338 2.2338 3.3207 3.3207 3.5361 3.5361 3.9641 3.9641 4.0618 4.0618 4.2716 4.2716 4.3616 4.3616 4.4938 4.4938 4.5378 4.5378 4.7473 4.7473 5.0478 5.0478 5.3405 5.3405 5.9389 5.9389 9.3268 9.3268 9.8407 9.8407 10.3088 10.3088 12.0181 12.0181 13.0443 13.0443 13.3802 13.3802 14.3780 14.3780 k = 0.5086 0.3080-0.3611 ( 6885 PWs) bands (ev): -21.6655 -21.6655 -21.6421 -21.6421 -14.2441 -14.2439 -13.8502 -13.8498 -11.8320 -11.8316 -11.7143 -11.7135 -11.4747 -11.4739 -11.1858 -11.1857 -5.6964 -5.6945 -5.3904 -5.3864 -5.3017 -5.2982 -5.1644 -5.1589 -5.0971 -5.0968 -5.0758 -5.0750 -4.9808 -4.9783 -4.2061 -4.2055 -0.9417 -0.9366 -0.6509 -0.6456 -0.4435 -0.4417 1.9040 1.9107 2.1527 2.1574 2.2290 2.2362 3.3206 3.3220 3.5374 3.5378 3.9626 3.9633 4.0608 4.0618 4.2709 4.2723 4.3617 4.3627 4.4915 4.4928 4.5386 4.5396 4.7469 4.7474 5.0459 5.0486 5.3407 5.3416 5.9342 5.9390 9.3269 9.3339 9.8423 9.8448 10.3066 10.3106 12.0173 12.0184 13.0391 13.0460 13.3740 13.3807 14.3772 14.3802 k = 0.5172 0.3132-0.3455 ( 6883 PWs) bands (ev): -21.6655 -21.6655 -21.6421 -21.6421 -14.2430 -14.2425 -13.8523 -13.8515 -11.8309 -11.8301 -11.7148 -11.7132 -11.4741 -11.4725 -11.1875 -11.1873 -5.6947 -5.6910 -5.3930 -5.3848 -5.3031 -5.2962 -5.1678 -5.1568 -5.0973 -5.0967 -5.0762 -5.0748 -4.9809 -4.9759 -4.2142 -4.2130 -0.9369 -0.9269 -0.6506 -0.6399 -0.4390 -0.4357 1.8969 1.9103 2.1434 2.1519 2.2225 2.2365 3.3215 3.3244 3.5416 3.5424 3.9590 3.9602 4.0589 4.0610 4.2704 4.2731 4.3630 4.3650 4.4866 4.4890 4.5416 4.5432 4.7462 4.7473 5.0431 5.0483 5.3422 5.3439 5.9250 5.9345 9.3341 9.3479 9.8494 9.8544 10.3041 10.3123 12.0161 12.0183 13.0303 13.0442 13.3623 13.3759 14.3778 14.3839 k = 0.5258 0.3184-0.3299 ( 6883 PWs) bands (ev): -21.6655 -21.6655 -21.6421 -21.6421 -14.2410 -14.2403 -13.8555 -13.8544 -11.8290 -11.8278 -11.7152 -11.7128 -11.4729 -11.4704 -11.1902 -11.1899 -5.6913 -5.6857 -5.3959 -5.3837 -5.3043 -5.2941 -5.1716 -5.1551 -5.0975 -5.0967 -5.0768 -5.0746 -4.9802 -4.9729 -4.2273 -4.2254 -0.9275 -0.9125 -0.6488 -0.6326 -0.4304 -0.4260 1.8869 1.9071 2.1290 2.1393 2.2162 2.2357 3.3236 3.3278 3.5486 3.5497 3.9532 3.9550 4.0562 4.0592 4.2700 4.2739 4.3654 4.3683 4.4804 4.4835 4.5456 4.5476 4.7454 4.7470 5.0394 5.0470 5.3449 5.3475 5.9115 5.9255 9.3482 9.3689 9.8618 9.8693 10.3015 10.3139 12.0145 12.0176 13.0176 13.0388 13.3454 13.3662 14.3797 14.3887 k = 0.5344 0.3236-0.3143 ( 6882 PWs) bands (ev): -21.6655 -21.6655 -21.6422 -21.6422 -14.2383 -14.2373 -13.8599 -13.8584 -11.8263 -11.8246 -11.7158 -11.7125 -11.4709 -11.4677 -11.1940 -11.1936 -5.6862 -5.6788 -5.3992 -5.3829 -5.3052 -5.2919 -5.1758 -5.1539 -5.0977 -5.0968 -5.0773 -5.0745 -4.9789 -4.9690 -4.2452 -4.2427 -0.9136 -0.8939 -0.6458 -0.6242 -0.4171 -0.4121 1.8737 1.9006 2.1092 2.1193 2.2113 2.2351 3.3269 3.3324 3.5579 3.5593 3.9455 3.9476 4.0526 4.0566 4.2699 4.2747 4.3687 4.3723 4.4735 4.4773 4.5497 4.5519 4.7447 4.7468 5.0351 5.0445 5.3486 5.3523 5.8941 5.9122 9.3690 9.3965 9.8787 9.8890 10.2990 10.3161 12.0123 12.0164 13.0007 13.0292 13.3236 13.3519 14.3828 14.3947 k = 0.5429 0.3288-0.2987 ( 6878 PWs) bands (ev): -21.6654 -21.6654 -21.6422 -21.6422 -14.2347 -14.2335 -13.8654 -13.8636 -11.8227 -11.8206 -11.7163 -11.7122 -11.4684 -11.4643 -11.1989 -11.1984 -5.6794 -5.6702 -5.4030 -5.3825 -5.3060 -5.2897 -5.1804 -5.1530 -5.0979 -5.0969 -5.0779 -5.0745 -4.9767 -4.9644 -4.2677 -4.2643 -0.8956 -0.8712 -0.6424 -0.6151 -0.3988 -0.3934 1.8564 1.8900 2.0845 2.0930 2.2080 2.2352 3.3314 3.3381 3.5692 3.5707 3.9359 3.9383 4.0481 4.0530 4.2700 4.2757 4.3726 4.3770 4.4667 4.4711 4.5532 4.5555 4.7443 4.7468 5.0301 5.0411 5.3534 5.3582 5.8730 5.8950 9.3964 9.4304 9.8995 9.9129 10.2971 10.3195 12.0097 12.0146 12.9790 13.0150 13.2977 13.3340 14.3870 14.4016 k = 0.5515 0.3340-0.2831 ( 6874 PWs) bands (ev): -21.6654 -21.6654 -21.6423 -21.6423 -14.2304 -14.2290 -13.8720 -13.8698 -11.8183 -11.8157 -11.7169 -11.7119 -11.4653 -11.4603 -11.2047 -11.2042 -5.6711 -5.6601 -5.4073 -5.3826 -5.3064 -5.2874 -5.1854 -5.1525 -5.0982 -5.0971 -5.0784 -5.0745 -4.9736 -4.9591 -4.2942 -4.2900 -0.8739 -0.8452 -0.6387 -0.6056 -0.3753 -0.3689 1.8342 1.8739 2.0562 2.0630 2.2060 2.2361 3.3371 3.3448 3.5820 3.5835 3.9246 3.9273 4.0427 4.0486 4.2702 4.2766 4.3768 4.3819 4.4605 4.4653 4.5556 4.5580 4.7444 4.7472 5.0247 5.0367 5.3590 5.3652 5.8489 5.8742 9.4297 9.4703 9.9227 9.9401 10.2965 10.3249 12.0064 12.0120 12.9518 12.9952 13.2689 13.3133 14.3920 14.4090 k = 0.5601 0.3392-0.2676 ( 6872 PWs) bands (ev): -21.6653 -21.6653 -21.6423 -21.6423 -14.2254 -14.2238 -13.8795 -13.8771 -11.8132 -11.8101 -11.7175 -11.7116 -11.4615 -11.4558 -11.2116 -11.2109 -5.6613 -5.6485 -5.4123 -5.3834 -5.3066 -5.2853 -5.1906 -5.1525 -5.0986 -5.0973 -5.0789 -5.0745 -4.9698 -4.9529 -4.3245 -4.3193 -0.8492 -0.8165 -0.6350 -0.5957 -0.3465 -0.3383 1.8059 1.8504 2.0259 2.0321 2.2048 2.2378 3.3440 3.3526 3.5957 3.5972 3.9118 3.9146 4.0365 4.0433 4.2704 4.2773 4.3810 4.3867 4.4553 4.4604 4.5568 4.5593 4.7452 4.7484 5.0190 5.0315 5.3653 5.3732 5.8221 5.8504 9.4684 9.5155 9.9470 9.9695 10.2984 10.3338 12.0024 12.0086 12.9186 12.9689 13.2384 13.2906 14.3976 14.4168 k = 0.5687 0.3444-0.2520 ( 6875 PWs) bands (ev): -21.6652 -21.6652 -21.6424 -21.6424 -14.2197 -14.2179 -13.8878 -13.8852 -11.8073 -11.8037 -11.7182 -11.7114 -11.4572 -11.4507 -11.2194 -11.2186 -5.6502 -5.6356 -5.4178 -5.3848 -5.3066 -5.2834 -5.1959 -5.1530 -5.0991 -5.0974 -5.0794 -5.0745 -4.9650 -4.9459 -4.3580 -4.3516 -0.8222 -0.7862 -0.6304 -0.5851 -0.3125 -0.3014 1.7705 1.8177 1.9957 2.0026 2.2041 2.2400 3.3521 3.3615 3.6098 3.6112 3.8977 3.9006 4.0296 4.0373 4.2706 4.2777 4.3849 4.3911 4.4517 4.4569 4.5566 4.5593 4.7468 4.7503 5.0129 5.0256 5.3722 5.3822 5.7935 5.8241 9.5118 9.5653 9.9708 9.9997 10.3042 10.3475 11.9976 12.0043 12.8790 12.9349 13.2076 13.2667 14.4036 14.4245 k = 0.5773 0.3496-0.2364 ( 6871 PWs) bands (ev): -21.6651 -21.6651 -21.6425 -21.6425 -14.2134 -14.2115 -13.8969 -13.8940 -11.8007 -11.7966 -11.7189 -11.7112 -11.4524 -11.4452 -11.2281 -11.2272 -5.6380 -5.6216 -5.4241 -5.3872 -5.3062 -5.2818 -5.2010 -5.1541 -5.0998 -5.0974 -5.0798 -5.0745 -4.9593 -4.9380 -4.3942 -4.3865 -0.7941 -0.7563 -0.6235 -0.5729 -0.2732 -0.2588 1.7273 1.7750 1.9668 1.9761 2.2038 2.2426 3.3614 3.3715 3.6239 3.6250 3.8825 3.8855 4.0220 4.0305 4.2704 4.2777 4.3882 4.3947 4.4502 4.4550 4.5553 4.5583 4.7493 4.7529 5.0066 5.0191 5.3796 5.3918 5.7635 5.7959 9.5586 9.6186 9.9929 10.0288 10.3157 10.3675 11.9918 11.9989 12.8324 12.8925 13.1778 13.2425 14.4097 14.4321 k = 0.5859 0.3548-0.2208 ( 6867 PWs) bands (ev): -21.6651 -21.6651 -21.6425 -21.6425 -14.2067 -14.2046 -13.9065 -13.9035 -11.7935 -11.7888 -11.7196 -11.7109 -11.4471 -11.4392 -11.2376 -11.2367 -5.6248 -5.6067 -5.4310 -5.3907 -5.3057 -5.2809 -5.2055 -5.1556 -5.1006 -5.0974 -5.0802 -5.0745 -4.9525 -4.9291 -4.4325 -4.4234 -0.7666 -0.7299 -0.6112 -0.5576 -0.2289 -0.2108 1.6765 1.7232 1.9392 1.9527 2.2037 2.2454 3.3720 3.3824 3.6375 3.6384 3.8664 3.8695 4.0137 4.0229 4.2699 4.2771 4.3907 4.3971 4.4510 4.4551 4.5533 4.5565 4.7526 4.7563 5.0000 5.0120 5.3874 5.4020 5.7330 5.7665 9.6072 9.6739 10.0132 10.0555 10.3349 10.3948 11.9849 11.9925 12.7789 12.8415 13.1497 13.2185 14.4158 14.4392 k = 0.5945 0.3600-0.2052 ( 6872 PWs) bands (ev): -21.6650 -21.6650 -21.6426 -21.6426 -14.1996 -14.1974 -13.9165 -13.9134 -11.7857 -11.7804 -11.7203 -11.7106 -11.4414 -11.4328 -11.2480 -11.2470 -5.6110 -5.5912 -5.4387 -5.3954 -5.3049 -5.2807 -5.2091 -5.1577 -5.1014 -5.0973 -5.0806 -5.0745 -4.9447 -4.9193 -4.4725 -4.4617 -0.7420 -0.7108 -0.5896 -0.5371 -0.1800 -0.1580 1.6189 1.6637 1.9127 1.9314 2.2037 2.2483 3.3837 3.3944 3.6499 3.6509 3.8497 3.8530 4.0049 4.0146 4.2689 4.2760 4.3923 4.3984 4.4539 4.4571 4.5511 4.5545 4.7564 4.7601 4.9931 5.0045 5.3954 5.4125 5.7028 5.7367 9.6554 9.7287 10.0332 10.0796 10.3631 10.4296 11.9766 11.9849 12.7187 12.7821 13.1235 13.1949 14.4216 14.4457 k = 0.6031 0.3652-0.1896 ( 6868 PWs) bands (ev): -21.6649 -21.6649 -21.6427 -21.6427 -14.1922 -14.1900 -13.9266 -13.9235 -11.7776 -11.7715 -11.7208 -11.7100 -11.4353 -11.4260 -11.2590 -11.2580 -5.5970 -5.5756 -5.4469 -5.4016 -5.3041 -5.2814 -5.2114 -5.1603 -5.1022 -5.0972 -5.0809 -5.0744 -4.9357 -4.9085 -4.5134 -4.5009 -0.7230 -0.6992 -0.5577 -0.5096 -0.1268 -0.1009 1.5556 1.5984 1.8866 1.9110 2.2038 2.2514 3.3965 3.4072 3.6605 3.6622 3.8327 3.8365 3.9957 4.0055 4.2674 4.2744 4.3931 4.3988 4.4585 4.4610 4.5493 4.5527 4.7604 4.7640 4.9860 4.9965 5.4036 5.4227 5.6737 5.7071 9.6996 9.7795 10.0562 10.1032 10.4000 10.4715 11.9667 11.9762 12.6522 12.7151 13.0990 13.1719 14.4269 14.4513 k = 0.6116 0.3704-0.1741 ( 6870 PWs) bands (ev): -21.6649 -21.6649 -21.6427 -21.6427 -14.1850 -14.1828 -13.9366 -13.9336 -11.7693 -11.7623 -11.7210 -11.7092 -11.4288 -11.4190 -11.2708 -11.2697 -5.5836 -5.5606 -5.4552 -5.4094 -5.3033 -5.2828 -5.2119 -5.1635 -5.1031 -5.0971 -5.0812 -5.0744 -4.9256 -4.8966 -4.5547 -4.5403 -0.7123 -0.6914 -0.5176 -0.4739 -0.0699 -0.0401 1.4875 1.5285 1.8602 1.8903 2.2038 2.2544 3.4104 3.4208 3.6689 3.6717 3.8160 3.8204 3.9859 3.9956 4.2657 4.2726 4.3933 4.3983 4.4645 4.4663 4.5482 4.5517 4.7645 4.7679 4.9787 4.9882 5.4115 5.4321 5.6470 5.6788 9.7356 9.8214 10.0867 10.1312 10.4446 10.5193 11.9550 11.9661 12.5799 12.6416 13.0761 13.1498 14.4315 14.4560 k = 0.6202 0.3756-0.1585 ( 6872 PWs) bands (ev): -21.6648 -21.6648 -21.6428 -21.6428 -14.1780 -14.1759 -13.9461 -13.9433 -11.7611 -11.7532 -11.7204 -11.7077 -11.4222 -11.4117 -11.2831 -11.2820 -5.5721 -5.5474 -5.4628 -5.4183 -5.3029 -5.2846 -5.2107 -5.1670 -5.1039 -5.0971 -5.0815 -5.0743 -4.9142 -4.8836 -4.5957 -4.5793 -0.7099 -0.6847 -0.4714 -0.4305 -0.0099 0.0239 1.4156 1.4551 1.8331 1.8688 2.2037 2.2576 3.4250 3.4350 3.6745 3.6785 3.8003 3.8054 3.9759 3.9849 4.2639 4.2709 4.3929 4.3974 4.4714 4.4728 4.5485 4.5518 4.7683 4.7714 4.9710 4.9796 5.4187 5.4397 5.6240 5.6528 9.7593 9.8505 10.1274 10.1695 10.4949 10.5718 11.9413 11.9548 12.5027 12.5624 13.0544 13.1285 14.4351 14.4594 k = 0.6202 0.3756-0.1585 ( 6872 PWs) bands (ev): -21.6648 -21.6648 -21.6428 -21.6428 -14.1780 -14.1759 -13.9461 -13.9433 -11.7611 -11.7532 -11.7204 -11.7077 -11.4222 -11.4117 -11.2831 -11.2820 -5.5721 -5.5474 -5.4628 -5.4183 -5.3029 -5.2846 -5.2107 -5.1670 -5.1039 -5.0971 -5.0815 -5.0743 -4.9142 -4.8836 -4.5957 -4.5793 -0.7099 -0.6847 -0.4714 -0.4305 -0.0099 0.0239 1.4156 1.4551 1.8331 1.8688 2.2037 2.2576 3.4250 3.4350 3.6745 3.6785 3.8003 3.8054 3.9759 3.9849 4.2639 4.2709 4.3929 4.3974 4.4714 4.4728 4.5485 4.5518 4.7683 4.7714 4.9710 4.9796 5.4187 5.4397 5.6240 5.6528 9.7593 9.8505 10.1274 10.1695 10.4949 10.5718 11.9413 11.9548 12.5027 12.5624 13.0544 13.1285 14.4351 14.4594 k = 0.6148 0.3723-0.1414 ( 6879 PWs) bands (ev): -21.6648 -21.6648 -21.6428 -21.6428 -14.1744 -14.1727 -13.9505 -13.9481 -11.7558 -11.7476 -11.7189 -11.7067 -11.4188 -11.4089 -11.2910 -11.2899 -5.5711 -5.5461 -5.4665 -5.4218 -5.3020 -5.2840 -5.2101 -5.1681 -5.1032 -5.0961 -5.0806 -5.0737 -4.9069 -4.8765 -4.6198 -4.6013 -0.6987 -0.6726 -0.4394 -0.4035 0.0295 0.0632 1.3729 1.4101 1.8105 1.8469 2.1904 2.2419 3.4379 3.4467 3.6807 3.6851 3.7975 3.8038 3.9803 3.9890 4.2676 4.2747 4.4007 4.4053 4.4689 4.4706 4.5442 4.5485 4.7632 4.7659 4.9524 4.9609 5.4216 5.4405 5.6172 5.6419 9.7769 9.8652 10.1619 10.1959 10.5309 10.6038 11.9265 11.9368 12.4565 12.5113 13.0307 13.1034 14.4484 14.4731 k = 0.6093 0.3690-0.1242 ( 6887 PWs) bands (ev): -21.6648 -21.6648 -21.6429 -21.6429 -14.1715 -14.1701 -13.9544 -13.9524 -11.7503 -11.7420 -11.7161 -11.7045 -11.4159 -11.4067 -11.2992 -11.2981 -5.5718 -5.5462 -5.4697 -5.4254 -5.3021 -5.2829 -5.2096 -5.1696 -5.1028 -5.0953 -5.0799 -5.0732 -4.9009 -4.8707 -4.6426 -4.6224 -0.6821 -0.6555 -0.4063 -0.3743 0.0696 0.1030 1.3297 1.3649 1.7871 1.8244 2.1731 2.2231 3.4510 3.4587 3.6834 3.6881 3.7978 3.8050 3.9822 3.9903 4.2726 4.2798 4.4084 4.4130 4.4658 4.4681 4.5420 4.5474 4.7576 4.7602 4.9333 4.9417 5.4226 5.4395 5.6119 5.6340 9.7956 9.8806 10.1989 10.2279 10.5675 10.6371 11.9090 11.9171 12.4089 12.4594 13.0026 13.0742 14.4612 14.4864 k = 0.6038 0.3657-0.1071 ( 6888 PWs) bands (ev): -21.6648 -21.6648 -21.6429 -21.6429 -14.1692 -14.1680 -13.9578 -13.9561 -11.7444 -11.7363 -11.7123 -11.7014 -11.4137 -11.4050 -11.3076 -11.3065 -5.5738 -5.5474 -5.4725 -5.4290 -5.3028 -5.2817 -5.2093 -5.1715 -5.1026 -5.0946 -5.0793 -5.0729 -4.8966 -4.8665 -4.6639 -4.6423 -0.6601 -0.6333 -0.3724 -0.3435 0.1102 0.1432 1.2862 1.3194 1.7627 1.8011 2.1523 2.2016 3.4642 3.4707 3.6827 3.6876 3.8009 3.8087 3.9813 3.9890 4.2790 4.2862 4.4154 4.4199 4.4623 4.4653 4.5423 4.5486 4.7518 4.7544 4.9140 4.9222 5.4220 5.4372 5.6078 5.6286 9.8168 9.8983 10.2377 10.2643 10.6044 10.6709 11.8888 11.8964 12.3600 12.4070 12.9703 13.0411 14.4735 14.4992 k = 0.5984 0.3624-0.0900 ( 6896 PWs) bands (ev): -21.6648 -21.6648 -21.6429 -21.6429 -14.1674 -14.1665 -13.9607 -13.9592 -11.7382 -11.7304 -11.7073 -11.6973 -11.4121 -11.4040 -11.3162 -11.3150 -5.5768 -5.5496 -5.4750 -5.4325 -5.3035 -5.2807 -5.2094 -5.1738 -5.1026 -5.0942 -5.0788 -5.0728 -4.8938 -4.8637 -4.6838 -4.6610 -0.6325 -0.6059 -0.3378 -0.3113 0.1512 0.1837 1.2424 1.2738 1.7371 1.7769 2.1282 2.1778 3.4775 3.4829 3.6796 3.6844 3.8062 3.8141 3.9778 3.9849 4.2867 4.2938 4.4210 4.4254 4.4586 4.4623 4.5449 4.5520 4.7458 4.7488 4.8946 4.9025 5.4203 5.4341 5.6047 5.6250 9.8413 9.9193 10.2776 10.3039 10.6411 10.7051 11.8662 11.8753 12.3103 12.3542 12.9340 13.0041 14.4851 14.5115 k = 0.5929 0.3591-0.0729 ( 6894 PWs) bands (ev): -21.6648 -21.6648 -21.6429 -21.6429 -14.1661 -14.1655 -13.9632 -13.9619 -11.7317 -11.7243 -11.7014 -11.6923 -11.4111 -11.4037 -11.3249 -11.3238 -5.5804 -5.5525 -5.4771 -5.4357 -5.3043 -5.2799 -5.2097 -5.1765 -5.1029 -5.0942 -5.0784 -5.0728 -4.8927 -4.8625 -4.7021 -4.6786 -0.5996 -0.5734 -0.3026 -0.2780 0.1923 0.2242 1.1985 1.2283 1.7102 1.7516 2.1012 2.1519 3.4908 3.4951 3.6748 3.6794 3.8125 3.8203 3.9719 3.9785 4.2957 4.3025 4.4246 4.4286 4.4555 4.4597 4.5495 4.5572 4.7400 4.7436 4.8754 4.8829 5.4180 5.4307 5.6023 5.6225 9.8692 9.9439 10.3184 10.3457 10.6776 10.7393 11.8420 11.8536 12.2598 12.3011 12.8938 12.9633 14.4961 14.5233 k = 0.5874 0.3558-0.0558 ( 6901 PWs) bands (ev): -21.6648 -21.6648 -21.6430 -21.6430 -14.1653 -14.1649 -13.9653 -13.9643 -11.7247 -11.7180 -11.6947 -11.6866 -11.4109 -11.4042 -11.3337 -11.3326 -5.5844 -5.5561 -5.4790 -5.4388 -5.3049 -5.2794 -5.2105 -5.1795 -5.1035 -5.0945 -5.0781 -5.0729 -4.8930 -4.8627 -4.7188 -4.6949 -0.5617 -0.5360 -0.2668 -0.2436 0.2333 0.2646 1.1546 1.1827 1.6818 1.7252 2.0717 2.1242 3.5041 3.5074 3.6690 3.6734 3.8190 3.8266 3.9639 3.9700 4.3058 4.3121 4.4252 4.4284 4.4541 4.4581 4.5556 4.5637 4.7345 4.7390 4.8566 4.8636 5.4156 5.4273 5.6006 5.6205 9.9006 9.9725 10.3598 10.3890 10.7136 10.7733 11.8168 11.8314 12.2088 12.2480 12.8502 12.9191 14.5065 14.5343 k = 0.5820 0.3525-0.0386 ( 6913 PWs) bands (ev): -21.6648 -21.6648 -21.6430 -21.6430 -14.1649 -14.1646 -13.9670 -13.9662 -11.7173 -11.7113 -11.6874 -11.6802 -11.4115 -11.4054 -11.3426 -11.3415 -5.5887 -5.5602 -5.4806 -5.4416 -5.3053 -5.2792 -5.2116 -5.1830 -5.1043 -5.0954 -5.0779 -5.0732 -4.8947 -4.8644 -4.7339 -4.7101 -0.5191 -0.4940 -0.2307 -0.2083 0.2740 0.3047 1.1107 1.1374 1.6516 1.6975 2.0401 2.0950 3.5172 3.5197 3.6630 3.6671 3.8250 3.8324 3.9542 3.9598 4.3166 4.3224 4.4224 4.4246 4.4550 4.4582 4.5627 4.5709 4.7296 4.7353 4.8382 4.8449 5.4135 5.4241 5.5993 5.6189 9.9352 10.0048 10.4017 10.4334 10.7491 10.8069 11.7910 11.8088 12.1575 12.1949 12.8035 12.8717 14.5161 14.5446 k = 0.5765 0.3491-0.0215 ( 6916 PWs) bands (ev): -21.6648 -21.6648 -21.6430 -21.6430 -14.1648 -14.1646 -13.9686 -13.9679 -11.7095 -11.7042 -11.6794 -11.6732 -11.4129 -11.4074 -11.3515 -11.3504 -5.5930 -5.5647 -5.4820 -5.4443 -5.3055 -5.2792 -5.2130 -5.1867 -5.1052 -5.0967 -5.0777 -5.0736 -4.8974 -4.8671 -4.7475 -4.7241 -0.4722 -0.4477 -0.1943 -0.1723 0.3141 0.3442 1.0670 1.0924 1.6197 1.6683 2.0069 2.0646 3.5300 3.5319 3.6569 3.6609 3.8301 3.8374 3.9433 3.9485 4.3278 4.3330 4.4165 4.4186 4.4570 4.4598 4.5700 4.5782 4.7257 4.7327 4.8206 4.8272 5.4117 5.4215 5.5984 5.6173 9.9726 10.0406 10.4439 10.4786 10.7841 10.8402 11.7651 11.7860 12.1061 12.1420 12.7541 12.8215 14.5250 14.5541 k = 0.5710 0.3458-0.0044 ( 6918 PWs) bands (ev): -21.6648 -21.6648 -21.6430 -21.6430 -14.1649 -14.1648 -13.9699 -13.9693 -11.7014 -11.6968 -11.6710 -11.6656 -11.4152 -11.4103 -11.3603 -11.3593 -5.5972 -5.5695 -5.4831 -5.4467 -5.3054 -5.2794 -5.2149 -5.1908 -5.1064 -5.0984 -5.0777 -5.0741 -4.9009 -4.8709 -4.7597 -4.7370 -0.4215 -0.3974 -0.1575 -0.1354 0.3532 0.3829 1.0235 1.0477 1.5860 1.6373 1.9728 2.0332 3.5424 3.5441 3.6512 3.6550 3.8343 3.8415 3.9315 3.9365 4.3384 4.3432 4.4089 4.4117 4.4596 4.4624 4.5770 4.5850 4.7228 4.7312 4.8038 4.8107 5.4103 5.4193 5.5976 5.6158 10.0122 10.0791 10.4865 10.5245 10.8185 10.8729 11.7394 11.7634 12.0547 12.0893 12.7026 12.7689 14.5333 14.5627 k = 0.5656 0.3425 0.0127 ( 6918 PWs) bands (ev): -21.6648 -21.6648 -21.6430 -21.6430 -14.1653 -14.1651 -13.9710 -13.9705 -11.6929 -11.6891 -11.6621 -11.6575 -11.4184 -11.4141 -11.3689 -11.3679 -5.6013 -5.5744 -5.4839 -5.4489 -5.3050 -5.2797 -5.2171 -5.1952 -5.1077 -5.1005 -5.0778 -5.0748 -4.9048 -4.8754 -4.7705 -4.7488 -0.3677 -0.3437 -0.1206 -0.0979 0.3911 0.4206 0.9804 1.0036 1.5503 1.6042 1.9384 2.0011 3.5543 3.5561 3.6460 3.6497 3.8374 3.8446 3.9193 3.9242 4.3466 4.3518 4.4016 4.4056 4.4625 4.4654 4.5831 4.5907 4.7210 4.7307 4.7883 4.7959 5.4095 5.4177 5.5971 5.6143 10.0533 10.1195 10.5295 10.5710 10.8524 10.9051 11.7142 11.7411 12.0033 12.0370 12.6493 12.7145 14.5409 14.5704 k = 0.5601 0.3392 0.0298 ( 6922 PWs) bands (ev): -21.6648 -21.6648 -21.6431 -21.6431 -14.1657 -14.1656 -13.9720 -13.9716 -11.6843 -11.6811 -11.6528 -11.6490 -11.4225 -11.4189 -11.3772 -11.3763 -5.6051 -5.5793 -5.4844 -5.4511 -5.3042 -5.2800 -5.2196 -5.2000 -5.1092 -5.1030 -5.0780 -5.0755 -4.9088 -4.8803 -4.7802 -4.7597 -0.3114 -0.2871 -0.0835 -0.0596 0.4273 0.4568 0.9377 0.9602 1.5129 1.5691 1.9043 1.9688 3.5655 3.5677 3.6414 3.6449 3.8395 3.8468 3.9070 3.9120 4.3495 4.3560 4.3980 4.4034 4.4656 4.4687 4.5878 4.5949 4.7203 4.7313 4.7743 4.7831 5.4091 5.4166 5.5967 5.6127 10.0952 10.1608 10.5730 10.6179 10.8858 10.9368 11.6898 11.7195 11.9523 11.9851 12.5951 12.6587 14.5479 14.5772 k = 0.5547 0.3359 0.0470 ( 6930 PWs) bands (ev): -21.6648 -21.6648 -21.6431 -21.6431 -14.1663 -14.1661 -13.9729 -13.9725 -11.6755 -11.6729 -11.6431 -11.6400 -11.4277 -11.4246 -11.3852 -11.3843 -5.6086 -5.5842 -5.4847 -5.4531 -5.3031 -5.2803 -5.2226 -5.2050 -5.1108 -5.1056 -5.0784 -5.0764 -4.9126 -4.8855 -4.7889 -4.7696 -0.2535 -0.2281 -0.0463 -0.0206 0.4612 0.4912 0.8956 0.9178 1.4738 1.5316 1.8713 1.9366 3.5762 3.5787 3.6375 3.6409 3.8407 3.8481 3.8950 3.9002 4.3453 4.3524 4.4015 4.4071 4.4687 4.4720 4.5907 4.5971 4.7204 4.7326 4.7624 4.7723 5.4092 5.4160 5.5964 5.6112 10.1371 10.2020 10.6171 10.6652 10.9186 10.9678 11.6665 11.6986 11.9017 11.9338 12.5404 12.6021 14.5544 14.5831 k = 0.5492 0.3326 0.0641 ( 6932 PWs) bands (ev): -21.6649 -21.6649 -21.6431 -21.6431 -14.1669 -14.1667 -13.9737 -13.9734 -11.6669 -11.6648 -11.6332 -11.6307 -11.4338 -11.4313 -11.3926 -11.3919 -5.6117 -5.5890 -5.4846 -5.4550 -5.3015 -5.2804 -5.2258 -5.2103 -5.1125 -5.1083 -5.0790 -5.0774 -4.9161 -4.8907 -4.7966 -4.7787 -0.1948 -0.1675 -0.0088 0.0192 0.4923 0.5231 0.8543 0.8766 1.4334 1.4920 1.8402 1.9049 3.5861 3.5890 3.6343 3.6376 3.8412 3.8486 3.8836 3.8892 4.3361 4.3428 4.4102 4.4151 4.4720 4.4753 4.5916 4.5970 4.7214 4.7346 4.7528 4.7639 5.4097 5.4158 5.5963 5.6098 10.1783 10.2418 10.6618 10.7127 10.9509 10.9982 11.6444 11.6788 11.8517 11.8833 12.4861 12.5454 14.5604 14.5881 k = 0.5437 0.3293 0.0812 ( 6932 PWs) bands (ev): -21.6649 -21.6649 -21.6431 -21.6431 -14.1675 -14.1673 -13.9743 -13.9741 -11.6584 -11.6568 -11.6229 -11.6211 -11.4408 -11.4388 -11.3996 -11.3991 -5.6144 -5.5936 -5.4842 -5.4569 -5.2995 -5.2803 -5.2294 -5.2159 -5.1142 -5.1110 -5.0796 -5.0784 -4.9191 -4.8958 -4.8033 -4.7870 -0.1367 -0.1065 0.0290 0.0599 0.5198 0.5519 0.8143 0.8372 1.3923 1.4506 1.8113 1.8741 3.5951 3.5982 3.6318 3.6350 3.8410 3.8486 3.8732 3.8792 4.3246 4.3308 4.4209 4.4251 4.4752 4.4786 4.5903 4.5946 4.7229 4.7367 4.7458 4.7577 5.4104 5.4159 5.5963 5.6084 10.2180 10.2791 10.7070 10.7601 10.9828 11.0280 11.6239 11.6601 11.8025 11.8337 12.4331 12.4893 14.5660 14.5923 k = 0.5383 0.3260 0.0983 ( 6935 PWs) bands (ev): -21.6649 -21.6649 -21.6431 -21.6431 -14.1680 -14.1679 -13.9750 -13.9747 -11.6502 -11.6490 -11.6126 -11.6112 -11.4485 -11.4469 -11.4061 -11.4057 -5.6166 -5.5979 -5.4835 -5.4587 -5.2971 -5.2800 -5.2333 -5.2217 -5.1158 -5.1135 -5.0804 -5.0795 -4.9215 -4.9006 -4.8092 -4.7946 -0.0803 -0.0466 0.0677 0.1016 0.5425 0.5763 0.7763 0.8003 1.3513 1.4080 1.7855 1.8447 3.6031 3.6063 3.6301 3.6331 3.8405 3.8480 3.8640 3.8704 4.3125 4.3181 4.4319 4.4357 4.4785 4.4817 4.5869 4.5903 4.7248 4.7375 4.7424 4.7536 5.4113 5.4161 5.5965 5.6072 10.2554 10.3130 10.7522 10.8066 11.0141 11.0573 11.6049 11.6424 11.7547 11.7854 12.3823 12.4348 14.5712 14.5956 k = 0.5328 0.3227 0.1154 ( 6928 PWs) bands (ev): -21.6649 -21.6649 -21.6432 -21.6432 -14.1686 -14.1684 -13.9755 -13.9753 -11.6426 -11.6417 -11.6021 -11.6012 -11.4568 -11.4555 -11.4121 -11.4118 -5.6184 -5.6020 -5.4826 -5.4606 -5.2942 -5.2794 -5.2373 -5.2275 -5.1174 -5.1159 -5.0811 -5.0805 -4.9233 -4.9050 -4.8142 -4.8013 -0.0270 0.0097 0.1082 0.1445 0.5591 0.5940 0.7421 0.7671 1.3113 1.3651 1.7629 1.8171 3.6100 3.6131 3.6290 3.6319 3.8397 3.8470 3.8563 3.8628 4.3006 4.3056 4.4425 4.4463 4.4817 4.4847 4.5818 4.5845 4.7268 4.7359 4.7435 4.7512 5.4124 5.4165 5.5968 5.6060 10.2900 10.3426 10.7968 10.8513 11.0450 11.0863 11.5874 11.6250 11.7093 11.7393 12.3350 12.3829 14.5761 14.5980 k = 0.5273 0.3194 0.1326 ( 6920 PWs) bands (ev): -21.6649 -21.6649 -21.6432 -21.6432 -14.1690 -14.1689 -13.9759 -13.9758 -11.6357 -11.6350 -11.5917 -11.5911 -11.4654 -11.4644 -11.4175 -11.4173 -5.6197 -5.6057 -5.4814 -5.4626 -5.2909 -5.2784 -5.2415 -5.2334 -5.1189 -5.1180 -5.0819 -5.0815 -4.9245 -4.9090 -4.8182 -4.8073 0.0217 0.0591 0.1521 0.1884 0.5677 0.6009 0.7154 0.7392 1.2740 1.3233 1.7441 1.7918 3.6157 3.6184 3.6287 3.6311 3.8389 3.8454 3.8504 3.8566 4.2897 4.2940 4.4523 4.4562 4.4849 4.4876 4.5754 4.5779 4.7287 4.7345 4.7457 4.7501 5.4135 5.4170 5.5972 5.6049 10.3210 10.3673 10.8397 10.8926 11.0758 11.1150 11.5707 11.6058 11.6689 11.6965 12.2923 12.3347 14.5806 14.5997 k = 0.5219 0.3161 0.1497 ( 6922 PWs) bands (ev): -21.6649 -21.6649 -21.6432 -21.6432 -14.1694 -14.1693 -13.9763 -13.9762 -11.6297 -11.6291 -11.5816 -11.5813 -11.4740 -11.4733 -11.4222 -11.4221 -5.6205 -5.6091 -5.4799 -5.4645 -5.2873 -5.2771 -5.2457 -5.2393 -5.1202 -5.1197 -5.0825 -5.0823 -4.9251 -4.9125 -4.8214 -4.8124 0.0645 0.0989 0.1998 0.2326 0.5664 0.5922 0.7009 0.7186 1.2410 1.2841 1.7293 1.7692 3.6201 3.6222 3.6291 3.6309 3.8381 3.8426 3.8470 3.8517 4.2801 4.2838 4.4611 4.4650 4.4882 4.4904 4.5684 4.5709 4.7304 4.7339 4.7476 4.7499 5.4146 5.4173 5.5977 5.6039 10.3481 10.3868 10.8793 10.9281 11.1067 11.1433 11.5534 11.5806 11.6385 11.6593 12.2557 12.2915 14.5848 14.6006 k = 0.5164 0.3127 0.1668 ( 6920 PWs) bands (ev): -21.6649 -21.6649 -21.6432 -21.6432 -14.1697 -14.1696 -13.9766 -13.9765 -11.6247 -11.6242 -11.5722 -11.5721 -11.4823 -11.4818 -11.4262 -11.4261 -5.6207 -5.6122 -5.4783 -5.4665 -5.2833 -5.2755 -5.2498 -5.2449 -5.1213 -5.1211 -5.0831 -5.0830 -4.9251 -4.9157 -4.8236 -4.8168 0.1004 0.1285 0.2488 0.2755 0.5551 0.5702 0.6969 0.7059 1.2144 1.2492 1.7188 1.7498 3.6232 3.6244 3.6301 3.6312 3.8374 3.8396 3.8452 3.8481 4.2724 4.2752 4.4685 4.4720 4.4917 4.4932 4.5616 4.5641 4.7317 4.7339 4.7492 4.7502 5.4155 5.4176 5.5983 5.6030 10.3708 10.4008 10.9143 10.9556 11.1380 11.1700 11.5339 11.5488 11.6203 11.6309 12.2265 12.2547 14.5885 14.6007 k = 0.5109 0.3094 0.1839 ( 6906 PWs) bands (ev): -21.6649 -21.6649 -21.6432 -21.6432 -14.1699 -14.1698 -13.9768 -13.9768 -11.6210 -11.6206 -11.5641 -11.5640 -11.4896 -11.4893 -11.4292 -11.4291 -5.6205 -5.6147 -5.4765 -5.4685 -5.2793 -5.2739 -5.2533 -5.2500 -5.1221 -5.1221 -5.0836 -5.0835 -4.9247 -4.9183 -4.8248 -4.8202 0.1286 0.1482 0.2946 0.3139 0.5371 0.5432 0.6966 0.6996 1.1959 1.2206 1.7128 1.7339 3.6252 3.6256 3.6311 3.6318 3.8367 3.8374 3.8441 3.8458 4.2668 4.2688 4.4741 4.4767 4.4953 4.4960 4.5558 4.5580 4.7327 4.7341 4.7504 4.7507 5.4164 5.4178 5.5990 5.6021 10.3888 10.4093 10.9431 10.9732 11.1681 11.1928 11.5123 11.5176 11.6098 11.6131 12.2061 12.2255 14.5919 14.6002 k = 0.5055 0.3061 0.2010 ( 6890 PWs) bands (ev): -21.6649 -21.6649 -21.6432 -21.6432 -14.1700 -14.1700 -13.9769 -13.9769 -11.6186 -11.6184 -11.5582 -11.5582 -11.4950 -11.4948 -11.4310 -11.4310 -5.6198 -5.6169 -5.4746 -5.4706 -5.2756 -5.2727 -5.2559 -5.2542 -5.1226 -5.1226 -5.0839 -5.0839 -4.9237 -4.9206 -4.8251 -4.8228 0.1481 0.1582 0.3312 0.3419 0.5188 0.5199 0.6966 0.6970 1.1870 1.1998 1.7113 1.7221 3.6261 3.6262 3.6318 3.6322 3.8361 3.8362 3.8435 3.8444 4.2636 4.2646 4.4777 4.4791 4.4982 4.4983 4.5520 4.5533 4.7335 4.7341 4.7511 4.7511 5.4170 5.4177 5.5997 5.6013 10.4018 10.4122 10.9643 10.9803 11.1933 11.2071 11.4940 11.4947 11.6039 11.6043 12.1955 12.2054 14.5948 14.5990 k = 0.5000 0.3028 0.2182 ( 6896 PWs) bands (ev): -21.6649 -21.6649 -21.6432 -21.6432 -14.1701 -14.1701 -13.9770 -13.9770 -11.6177 -11.6177 -11.5560 -11.5560 -11.4970 -11.4970 -11.4317 -11.4317 -5.6186 -5.6186 -5.4726 -5.4726 -5.2731 -5.2731 -5.2564 -5.2564 -5.1228 -5.1228 -5.0840 -5.0840 -4.9224 -4.9224 -4.8244 -4.8244 0.1581 0.1581 0.3495 0.3495 0.5102 0.5102 0.6965 0.6965 1.1883 1.1883 1.7144 1.7144 3.6264 3.6264 3.6323 3.6323 3.8358 3.8358 3.8436 3.8436 4.2628 4.2628 4.4794 4.4794 4.4993 4.4993 4.5510 4.5510 4.7339 4.7339 4.7513 4.7513 5.4175 5.4175 5.6005 5.6005 10.4097 10.4097 10.9770 10.9770 11.2077 11.2077 11.4864 11.4864 11.6018 11.6018 12.1952 12.1952 14.5972 14.5972 k = 0.5000-0.2614-0.1883 ( 6870 PWs) bands (ev): -21.6654 -21.6654 -21.6436 -21.6436 -14.1786 -14.1786 -13.9850 -13.9850 -11.6158 -11.6158 -11.5502 -11.5502 -11.4714 -11.4714 -11.4057 -11.4057 -5.6034 -5.6034 -5.4915 -5.4915 -5.3079 -5.3079 -5.2681 -5.2681 -5.1226 -5.1226 -5.0982 -5.0982 -4.9276 -4.9276 -4.8511 -4.8511 -0.0456 -0.0456 0.2194 0.2194 0.4639 0.4639 0.5624 0.5624 1.8015 1.8015 2.1369 2.1369 3.2823 3.2823 3.4026 3.4026 3.6804 3.6804 3.7234 3.7234 4.0005 4.0005 4.2387 4.2387 4.7111 4.7111 4.8674 4.8674 4.9887 4.9887 5.1504 5.1504 5.3430 5.3430 5.5109 5.5109 10.2042 10.2042 10.9473 10.9473 11.2520 11.2520 11.5562 11.5562 11.7521 11.7521 12.4062 12.4062 14.1553 14.1553 k = 0.5100-0.2488-0.1792 ( 6862 PWs) bands (ev): -21.6654 -21.6654 -21.6436 -21.6436 -14.1786 -14.1785 -13.9850 -13.9849 -11.6180 -11.6150 -11.5552 -11.5475 -11.4735 -11.4672 -11.4068 -11.4037 -5.6045 -5.6028 -5.4928 -5.4885 -5.3096 -5.3066 -5.2702 -5.2647 -5.1237 -5.1216 -5.0991 -5.0971 -4.9292 -4.9254 -4.8517 -4.8495 -0.0679 -0.0286 0.1811 0.2532 0.4348 0.4798 0.5594 0.5802 1.7837 1.8217 2.1125 2.1636 3.2807 3.2821 3.4031 3.4050 3.6799 3.6812 3.7240 3.7244 4.0007 4.0021 4.2383 4.2395 4.7100 4.7106 4.8671 4.8683 4.9871 4.9876 5.1492 5.1497 5.3427 5.3447 5.5098 5.5124 10.1960 10.2095 10.9294 10.9585 11.2138 11.2886 11.5303 11.5771 11.7377 11.7736 12.4009 12.4209 14.1556 14.1559 k = 0.5200-0.2362-0.1701 ( 6859 PWs) bands (ev): -21.6654 -21.6654 -21.6436 -21.6436 -14.1784 -14.1783 -13.9848 -13.9846 -11.6215 -11.6157 -11.5618 -11.5477 -11.4731 -11.4616 -11.4070 -11.4010 -5.6059 -5.6025 -5.4927 -5.4841 -5.3116 -5.3063 -5.2707 -5.2603 -5.1248 -5.1207 -5.1000 -5.0960 -4.9303 -4.9226 -4.8513 -4.8469 -0.0950 -0.0172 0.1394 0.2803 0.4024 0.4768 0.5768 0.6046 1.7686 1.8435 2.0913 2.1917 3.2779 3.2806 3.4062 3.4097 3.6798 3.6824 3.7260 3.7269 4.0029 4.0056 4.2385 4.2407 4.7072 4.7083 4.8671 4.8696 4.9827 4.9838 5.1460 5.1471 5.3440 5.3478 5.5090 5.5141 10.1850 10.2120 10.9057 10.9619 11.1749 11.3218 11.5009 11.5938 11.7337 11.7979 12.4055 12.4439 14.1567 14.1573 k = 0.5301-0.2235-0.1611 ( 6859 PWs) bands (ev): -21.6654 -21.6654 -21.6436 -21.6436 -14.1781 -14.1780 -13.9845 -13.9842 -11.6263 -11.6179 -11.5695 -11.5508 -11.4702 -11.4551 -11.4063 -11.3977 -5.6075 -5.6025 -5.4913 -5.4784 -5.3138 -5.3069 -5.2694 -5.2553 -5.1259 -5.1199 -5.1008 -5.0949 -4.9308 -4.9194 -4.8498 -4.8434 -0.1265 -0.0119 0.0950 0.2941 0.3753 0.4656 0.6046 0.6325 1.7563 1.8656 2.0743 2.2206 3.2749 3.2784 3.4113 3.4160 3.6801 3.6838 3.7296 3.7308 4.0071 4.0109 4.2391 4.2424 4.7029 4.7045 4.8673 4.8711 4.9759 4.9775 5.1412 5.1428 5.3467 5.3522 5.5085 5.5161 10.1711 10.2118 10.8775 10.9569 11.1356 11.3457 11.4745 11.6083 11.7409 11.8220 12.4201 12.4739 14.1587 14.1597 k = 0.5401-0.2109-0.1520 ( 6855 PWs) bands (ev): -21.6654 -21.6654 -21.6436 -21.6436 -14.1777 -14.1775 -13.9841 -13.9838 -11.6320 -11.6215 -11.5779 -11.5562 -11.4653 -11.4480 -11.4047 -11.3939 -5.6091 -5.6024 -5.4888 -5.4716 -5.3158 -5.3083 -5.2666 -5.2498 -5.1270 -5.1193 -5.1014 -5.0938 -4.9307 -4.9157 -4.8472 -4.8389 -0.1616 -0.0135 0.0493 0.2827 0.3654 0.4543 0.6352 0.6631 1.7468 1.8858 2.0632 2.2493 3.2727 3.2768 3.4176 3.4229 3.6808 3.6856 3.7344 3.7360 4.0134 4.0182 4.2402 4.2445 4.6972 4.6992 4.8673 4.8726 4.9667 4.9690 5.1347 5.1369 5.3505 5.3575 5.5083 5.5184 10.1544 10.2087 10.8457 10.9435 11.0963 11.3457 11.4675 11.6236 11.7572 11.8444 12.4439 12.5093 14.1617 14.1630 k = 0.5501-0.1983-0.1429 ( 6865 PWs) bands (ev): -21.6653 -21.6653 -21.6436 -21.6436 -14.1771 -14.1770 -13.9836 -13.9832 -11.6386 -11.6263 -11.5866 -11.5632 -11.4592 -11.4407 -11.4024 -11.3898 -5.6105 -5.6021 -5.4856 -5.4642 -5.3179 -5.3102 -5.2625 -5.2438 -5.1281 -5.1189 -5.1017 -5.0927 -4.9300 -4.9115 -4.8435 -4.8335 -0.1998 -0.0265 0.0076 0.2513 0.3669 0.4461 0.6666 0.6960 1.7399 1.9013 2.0602 2.2772 3.2723 3.2771 3.4243 3.4300 3.6819 3.6876 3.7404 3.7422 4.0218 4.0272 4.2417 4.2469 4.6903 4.6927 4.8666 4.8735 4.9557 4.9589 5.1269 5.1296 5.3553 5.3637 5.5086 5.5209 10.1348 10.2029 10.8109 10.9223 11.0572 11.3172 11.4860 11.6416 11.7797 11.8650 12.4753 12.5490 14.1656 14.1673 k = 0.5601-0.1857-0.1338 ( 6867 PWs) bands (ev): -21.6653 -21.6653 -21.6435 -21.6435 -14.1764 -14.1763 -13.9829 -13.9825 -11.6459 -11.6322 -11.5955 -11.5714 -11.4524 -11.4331 -11.3994 -11.3856 -5.6115 -5.6014 -5.4819 -5.4563 -5.3199 -5.3120 -5.2576 -5.2376 -5.1290 -5.1186 -5.1019 -5.0917 -4.9289 -4.9071 -4.8388 -4.8272 -0.2405 -0.0642 -0.0163 0.2131 0.3667 0.4414 0.6989 0.7307 1.7352 1.9097 2.0667 2.3033 3.2747 3.2802 3.4308 3.4366 3.6833 3.6898 3.7475 3.7494 4.0323 4.0382 4.2435 4.2497 4.6824 4.6850 4.8645 4.8731 4.9436 4.9478 5.1180 5.1213 5.3609 5.3704 5.5092 5.5237 10.1125 10.1942 10.7739 10.8943 11.0190 11.2754 11.5165 11.6630 11.8067 11.8842 12.5127 12.5917 14.1706 14.1728 k = 0.5701-0.1731-0.1247 ( 6879 PWs) bands (ev): -21.6653 -21.6653 -21.6435 -21.6435 -14.1756 -14.1755 -13.9822 -13.9818 -11.6537 -11.6390 -11.6044 -11.5804 -11.4453 -11.4256 -11.3959 -11.3814 -5.6120 -5.6000 -5.4781 -5.4482 -5.3220 -5.3136 -5.2521 -5.2313 -5.1298 -5.1185 -5.1019 -5.0907 -4.9272 -4.9023 -4.8329 -4.8201 -0.2830 -0.1143 -0.0331 0.1730 0.3617 0.4384 0.7322 0.7669 1.7327 1.9112 2.0817 2.3268 3.2804 3.2870 3.4368 3.4426 3.6850 3.6922 3.7553 3.7574 4.0449 4.0510 4.2456 4.2526 4.6735 4.6764 4.8600 4.8703 4.9316 4.9368 5.1082 5.1121 5.3670 5.3775 5.5102 5.5267 10.0877 10.1828 10.7351 10.8606 10.9819 11.2292 11.5508 11.6876 11.8369 11.9028 12.5543 12.6363 14.1767 14.1795 k = 0.5802-0.1605-0.1156 ( 6875 PWs) bands (ev): -21.6652 -21.6652 -21.6435 -21.6435 -14.1747 -14.1747 -13.9813 -13.9810 -11.6619 -11.6465 -11.6134 -11.5898 -11.4382 -11.4183 -11.3919 -11.3771 -5.6118 -5.5980 -5.4744 -5.4404 -5.3240 -5.3147 -5.2461 -5.2249 -5.1303 -5.1184 -5.1016 -5.0896 -4.9250 -4.8974 -4.8260 -4.8121 -0.3265 -0.1672 -0.0515 0.1325 0.3528 0.4346 0.7668 0.8042 1.7320 1.9080 2.1019 2.3471 3.2900 3.2980 3.4420 3.4477 3.6869 3.6947 3.7639 3.7661 4.0594 4.0655 4.2480 4.2558 4.6639 4.6669 4.8520 4.8634 4.9212 4.9268 5.0978 5.1024 5.3735 5.3847 5.5118 5.5299 10.0606 10.1685 10.6950 10.8227 10.9462 11.1822 11.5862 11.7146 11.8695 11.9220 12.5985 12.6819 14.1840 14.1875 k = 0.5902-0.1478-0.1065 ( 6872 PWs) bands (ev): -21.6652 -21.6652 -21.6434 -21.6434 -14.1738 -14.1737 -13.9803 -13.9801 -11.6703 -11.6545 -11.6223 -11.5994 -11.4315 -11.4112 -11.3874 -11.3729 -5.6109 -5.5951 -5.4710 -5.4330 -5.3259 -5.3154 -5.2400 -5.2186 -5.1305 -5.1184 -5.1012 -5.0887 -4.9225 -4.8923 -4.8181 -4.8032 -0.3705 -0.2209 -0.0723 0.0923 0.3415 0.4281 0.8027 0.8424 1.7327 1.9024 2.1243 2.3636 3.3038 3.3136 3.4465 3.4521 3.6891 3.6973 3.7731 3.7753 4.0754 4.0817 4.2506 4.2592 4.6537 4.6568 4.8400 4.8513 4.9134 4.9184 5.0871 5.0925 5.3802 5.3919 5.5138 5.5332 10.0317 10.1514 10.6538 10.7820 10.9120 11.1355 11.6214 11.7431 11.9037 11.9430 12.6439 12.7276 14.1927 14.1970 k = 0.6002-0.1352-0.0974 ( 6875 PWs) bands (ev): -21.6652 -21.6652 -21.6434 -21.6434 -14.1728 -14.1726 -13.9793 -13.9792 -11.6787 -11.6628 -11.6311 -11.6091 -11.4252 -11.4048 -11.3823 -11.3686 -5.6091 -5.5913 -5.4680 -5.4264 -5.3275 -5.3156 -5.2339 -5.2126 -5.1303 -5.1184 -5.1006 -5.0877 -4.9197 -4.8873 -4.8091 -4.7936 -0.4142 -0.2743 -0.0951 0.0525 0.3282 0.4182 0.8399 0.8813 1.7349 1.8960 2.1466 2.3761 3.3218 3.3335 3.4503 3.4557 3.6915 3.7000 3.7828 3.7850 4.0926 4.0993 4.2535 4.2629 4.6429 4.6460 4.8242 4.8346 4.9078 4.9115 5.0765 5.0824 5.3870 5.3990 5.5165 5.5368 10.0014 10.1317 10.6122 10.7397 10.8792 11.0900 11.6558 11.7722 11.9379 11.9677 12.6894 12.7728 14.2027 14.2080 k = 0.6102-0.1226-0.0883 ( 6869 PWs) bands (ev): -21.6651 -21.6651 -21.6434 -21.6434 -14.1718 -14.1714 -13.9782 -13.9781 -11.6871 -11.6713 -11.6398 -11.6187 -11.4197 -11.3992 -11.3766 -11.3642 -5.6065 -5.5866 -5.4655 -5.4208 -5.3286 -5.3153 -5.2280 -5.2071 -5.1297 -5.1182 -5.0999 -5.0867 -4.9166 -4.8823 -4.7991 -4.7831 -0.4571 -0.3267 -0.1196 0.0134 0.3132 0.4047 0.8783 0.9208 1.7381 1.8896 2.1672 2.3845 3.3437 3.3573 3.4537 3.4588 3.6942 3.7028 3.7930 3.7952 4.1107 4.1182 4.2566 4.2668 4.6316 4.6348 4.8053 4.8146 4.9028 4.9054 5.0662 5.0727 5.3939 5.4058 5.5199 5.5405 9.9704 10.1096 10.5704 10.6967 10.8476 11.0458 11.6890 11.8008 11.9703 11.9986 12.7340 12.8168 14.2143 14.2205 k = 0.6202-0.1100-0.0792 ( 6871 PWs) bands (ev): -21.6651 -21.6651 -21.6433 -21.6433 -14.1708 -14.1703 -13.9772 -13.9769 -11.6953 -11.6798 -11.6484 -11.6283 -11.4151 -11.3946 -11.3702 -11.3596 -5.6031 -5.5811 -5.4637 -5.4166 -5.3290 -5.3147 -5.2223 -5.2022 -5.1285 -5.1178 -5.0991 -5.0857 -4.9134 -4.8775 -4.7883 -4.7718 -0.4985 -0.3775 -0.1454 -0.0251 0.2965 0.3877 0.9176 0.9609 1.7423 1.8836 2.1855 2.3890 3.3690 3.3838 3.4572 3.4616 3.6972 3.7058 3.8037 3.8057 4.1291 4.1378 4.2601 4.2711 4.6200 4.6231 4.7842 4.7924 4.8973 4.8992 5.0565 5.0634 5.4006 5.4122 5.5240 5.5443 9.9392 10.0854 10.5290 10.6534 10.8172 11.0031 11.7207 11.8281 12.0010 12.0355 12.7772 12.8592 14.2273 14.2347 k = 0.6303-0.0974-0.0702 ( 6869 PWs) bands (ev): -21.6651 -21.6651 -21.6433 -21.6433 -14.1698 -14.1691 -13.9761 -13.9755 -11.7033 -11.6882 -11.6568 -11.6376 -11.4114 -11.3911 -11.3632 -11.3545 -5.5989 -5.5748 -5.4626 -5.4139 -5.3286 -5.3136 -5.2170 -5.1980 -5.1269 -5.1172 -5.0981 -5.0848 -4.9103 -4.8731 -4.7765 -4.7598 -0.5379 -0.4259 -0.1722 -0.0628 0.2782 0.3676 0.9577 1.0014 1.7473 1.8782 2.2010 2.3898 3.3962 3.4106 3.4624 3.4651 3.7008 3.7092 3.8147 3.8167 4.1475 4.1578 4.2642 4.2759 4.6080 4.6110 4.7617 4.7689 4.8905 4.8926 5.0477 5.0548 5.4071 5.4183 5.5289 5.5483 9.9087 10.0596 10.4883 10.6102 10.7878 10.9618 11.7506 11.8533 12.0329 12.0762 12.8183 12.8996 14.2419 14.2504 k = 0.6403-0.0848-0.0611 ( 6872 PWs) bands (ev): -21.6650 -21.6650 -21.6432 -21.6432 -14.1689 -14.1680 -13.9749 -13.9740 -11.7109 -11.6963 -11.6650 -11.6467 -11.4086 -11.3887 -11.3559 -11.3489 -5.5940 -5.5678 -5.4621 -5.4128 -5.3274 -5.3122 -5.2123 -5.1946 -5.1248 -5.1162 -5.0971 -5.0838 -4.9073 -4.8692 -4.7640 -4.7470 -0.5746 -0.4715 -0.1997 -0.0999 0.2583 0.3446 0.9985 1.0423 1.7531 1.8736 2.2135 2.3874 3.4220 3.4322 3.4697 3.4762 3.7049 3.7130 3.8262 3.8281 4.1654 4.1773 4.2691 4.2815 4.5958 4.5987 4.7382 4.7446 4.8823 4.8848 5.0399 5.0469 5.4131 5.4240 5.5346 5.5525 9.8795 10.0328 10.4485 10.5671 10.7592 10.9218 11.7788 11.8758 12.0673 12.1188 12.8568 12.9374 14.2579 14.2677 k = 0.6503-0.0721-0.0520 ( 6877 PWs) bands (ev): -21.6650 -21.6650 -21.6432 -21.6432 -14.1682 -14.1671 -13.9735 -13.9724 -11.7180 -11.7040 -11.6730 -11.6555 -11.4068 -11.3874 -11.3484 -11.3429 -5.5885 -5.5603 -5.4622 -5.4134 -5.3254 -5.3103 -5.2084 -5.1917 -5.1225 -5.1148 -5.0959 -5.0828 -4.9047 -4.8659 -4.7506 -4.7335 -0.6081 -0.5136 -0.2276 -0.1364 0.2368 0.3191 1.0397 1.0835 1.7594 1.8698 2.2232 2.3822 3.4371 3.4451 3.4848 3.5002 3.7098 3.7173 3.8381 3.8400 4.1824 4.1957 4.2754 4.2882 4.5833 4.5860 4.7144 4.7199 4.8728 4.8757 5.0331 5.0398 5.4184 5.4294 5.5408 5.5571 9.8524 10.0059 10.4099 10.5242 10.7314 10.8831 11.8050 11.8953 12.1046 12.1627 12.8925 12.9726 14.2753 14.2864 k = 0.6603-0.0595-0.0429 ( 6885 PWs) bands (ev): -21.6649 -21.6649 -21.6432 -21.6432 -14.1676 -14.1663 -13.9720 -13.9706 -11.7246 -11.7114 -11.6807 -11.6639 -11.4059 -11.3872 -11.3408 -11.3365 -5.5826 -5.5526 -5.4629 -5.4154 -5.3230 -5.3081 -5.2053 -5.1893 -5.1201 -5.1130 -5.0947 -5.0818 -4.9024 -4.8633 -4.7365 -4.7193 -0.6380 -0.5519 -0.2558 -0.1722 0.2138 0.2913 1.0813 1.1250 1.7663 1.8668 2.2301 2.3746 3.4413 3.4506 3.5114 3.5303 3.7155 3.7223 3.8505 3.8525 4.1978 4.2119 4.2839 4.2964 4.5707 4.5732 4.6905 4.6953 4.8622 4.8653 5.0271 5.0332 5.4226 5.4347 5.5474 5.5626 9.8280 9.9796 10.3723 10.4815 10.7041 10.8454 11.8293 11.9120 12.1445 12.2074 12.9250 13.0046 14.2938 14.3064 k = 0.6703-0.0469-0.0338 ( 6885 PWs) bands (ev): -21.6649 -21.6649 -21.6431 -21.6431 -14.1673 -14.1658 -13.9702 -13.9685 -11.7307 -11.7182 -11.6881 -11.6718 -11.4058 -11.3878 -11.3331 -11.3298 -5.5765 -5.5450 -5.4640 -5.4186 -5.3202 -5.3056 -5.2034 -5.1870 -5.1178 -5.1107 -5.0933 -5.0808 -4.9008 -4.8617 -4.7216 -4.7044 -0.6639 -0.5859 -0.2841 -0.2073 0.1893 0.2616 1.1232 1.1666 1.7736 1.8645 2.2345 2.3649 3.4419 3.4519 3.5421 3.5611 3.7222 3.7282 3.8634 3.8658 4.2113 4.2251 4.2950 4.3062 4.5579 4.5603 4.6670 4.6711 4.8506 4.8538 5.0217 5.0271 5.4255 5.4397 5.5541 5.5693 9.8070 9.9548 10.3359 10.4390 10.6772 10.8087 11.8515 11.9260 12.1866 12.2525 12.9541 13.0334 14.3132 14.3273 k = 0.6804-0.0343-0.0247 ( 6890 PWs) bands (ev): -21.6649 -21.6649 -21.6431 -21.6431 -14.1673 -14.1656 -13.9682 -13.9662 -11.7362 -11.7245 -11.6951 -11.6792 -11.4064 -11.3893 -11.3256 -11.3229 -5.5705 -5.5381 -5.4652 -5.4224 -5.3173 -5.3027 -5.2026 -5.1846 -5.1156 -5.1082 -5.0917 -5.0798 -4.8999 -4.8611 -4.7059 -4.6888 -0.6853 -0.6152 -0.3124 -0.2418 0.1636 0.2303 1.1653 1.2083 1.7813 1.8630 2.2365 2.3534 3.4411 3.4515 3.5725 3.5901 3.7301 3.7352 3.8770 3.8800 4.2227 4.2353 4.3086 4.3179 4.5451 4.5473 4.6443 4.6477 4.8384 4.8416 5.0164 5.0212 5.4273 5.4441 5.5607 5.5776 9.7897 9.9320 10.3006 10.3967 10.6506 10.7727 11.8716 11.9374 12.2302 12.2979 12.9796 13.0587 14.3330 14.3488 k = 0.6904-0.0217-0.0156 ( 6883 PWs) bands (ev): -21.6648 -21.6648 -21.6430 -21.6430 -14.1677 -14.1658 -13.9658 -13.9635 -11.7412 -11.7302 -11.7016 -11.6861 -11.4076 -11.3915 -11.3181 -11.3160 -5.5651 -5.5326 -5.4662 -5.4263 -5.3144 -5.2996 -5.2027 -5.1820 -5.1136 -5.1057 -5.0900 -5.0788 -4.8998 -4.8616 -4.6896 -4.6725 -0.7019 -0.6397 -0.3404 -0.2756 0.1366 0.1976 1.2074 1.2500 1.7894 1.8623 2.2362 2.3404 3.4395 3.4502 3.6005 3.6159 3.7393 3.7436 3.8913 3.8953 4.2322 4.2432 4.3240 4.3310 4.5322 4.5342 4.6228 4.6255 4.8259 4.8290 5.0108 5.0153 5.4281 5.4475 5.5676 5.5875 9.7765 9.9120 10.2665 10.3549 10.6241 10.7375 11.8895 11.9462 12.2750 12.3432 13.0015 13.0802 14.3529 14.3704 k = 0.7004-0.0091-0.0065 ( 6876 PWs) bands (ev): -21.6648 -21.6648 -21.6430 -21.6430 -14.1686 -14.1666 -13.9629 -13.9604 -11.7457 -11.7354 -11.7074 -11.6922 -11.4095 -11.3944 -11.3107 -11.3090 -5.5609 -5.5292 -5.4668 -5.4295 -5.3116 -5.2963 -5.2037 -5.1793 -5.1115 -5.1034 -5.0882 -5.0778 -4.9007 -4.8634 -4.6725 -4.6555 -0.7136 -0.6590 -0.3681 -0.3087 0.1087 0.1639 1.2495 1.2916 1.7978 1.8622 2.2339 2.3260 3.4374 3.4482 3.6247 3.6374 3.7499 3.7537 3.9066 3.9118 4.2401 4.2495 4.3400 4.3450 4.5194 4.5213 4.6029 4.6051 4.8133 4.8164 5.0047 5.0094 5.4278 5.4494 5.5755 5.5986 9.7674 9.8949 10.2337 10.3138 10.5977 10.7029 11.9050 11.9527 12.3205 12.3884 13.0196 13.0979 14.3724 14.3915 k = 0.7104 0.0036 0.0026 ( 6882 PWs) bands (ev): -21.6648 -21.6648 -21.6429 -21.6429 -14.1700 -14.1679 -13.9596 -13.9569 -11.7498 -11.7402 -11.7125 -11.6976 -11.4119 -11.3979 -11.3035 -11.3021 -5.5588 -5.5286 -5.4670 -5.4307 -5.3091 -5.2930 -5.2052 -5.1764 -5.1095 -5.1014 -5.0863 -5.0768 -4.9025 -4.8665 -4.6546 -4.6377 -0.7201 -0.6731 -0.3953 -0.3409 0.0799 0.1294 1.2915 1.3331 1.8064 1.8628 2.2295 2.3104 3.4348 3.4456 3.6443 3.6541 3.7616 3.7655 3.9229 3.9292 4.2468 4.2551 4.3556 4.3595 4.5068 4.5084 4.5851 4.5868 4.8011 4.8040 4.9978 5.0031 5.4267 5.4496 5.5848 5.6108 9.7621 9.8809 10.2027 10.2738 10.5714 10.6688 11.9182 11.9568 12.3663 12.4331 13.0339 13.1117 14.3909 14.4116 k = 0.7204 0.0162 0.0117 ( 6878 PWs) bands (ev): -21.6648 -21.6648 -21.6429 -21.6429 -14.1720 -14.1698 -13.9557 -13.9529 -11.7537 -11.7446 -11.7165 -11.7021 -11.4149 -11.4020 -11.2965 -11.2953 -5.5597 -5.5313 -5.4667 -5.4291 -5.3067 -5.2899 -5.2070 -5.1735 -5.1075 -5.0997 -5.0845 -5.0759 -4.9054 -4.8709 -4.6359 -4.6191 -0.7215 -0.6820 -0.4217 -0.3722 0.0504 0.0944 1.3333 1.3742 1.8152 1.8641 2.2231 2.2937 3.4319 3.4426 3.6589 3.6663 3.7742 3.7785 3.9400 3.9475 4.2528 4.2603 4.3700 4.3736 4.4945 4.4959 4.5697 4.5714 4.7893 4.7922 4.9899 4.9962 5.4247 5.4479 5.5960 5.6239 9.7599 9.8695 10.1741 10.2356 10.5453 10.6355 11.9288 11.9584 12.4122 12.4772 13.0444 13.1213 14.4078 14.4300 k = 0.7305 0.0288 0.0207 ( 6870 PWs) bands (ev): -21.6648 -21.6648 -21.6429 -21.6429 -14.1746 -14.1725 -13.9512 -13.9484 -11.7574 -11.7489 -11.7192 -11.7055 -11.4183 -11.4067 -11.2897 -11.2886 -5.5641 -5.5375 -5.4655 -5.4247 -5.3047 -5.2870 -5.2089 -5.1703 -5.1056 -5.0983 -5.0829 -5.0750 -4.9093 -4.8766 -4.6162 -4.5997 -0.7179 -0.6858 -0.4472 -0.4022 0.0205 0.0591 1.3747 1.4149 1.8242 1.8661 2.2145 2.2760 3.4286 3.4390 3.6688 3.6742 3.7872 3.7920 3.9578 3.9662 4.2585 4.2656 4.3826 4.3865 4.4826 4.4840 4.5573 4.5596 4.7783 4.7813 4.9810 4.9885 5.4220 5.4445 5.6091 5.6379 9.7596 9.8598 10.1486 10.2004 10.5196 10.6030 11.9366 11.9577 12.4577 12.5204 13.0511 13.1269 14.4228 14.4461 k = 0.7405 0.0414 0.0298 ( 6872 PWs) bands (ev): -21.6648 -21.6648 -21.6428 -21.6428 -14.1780 -14.1759 -13.9461 -13.9433 -11.7611 -11.7532 -11.7204 -11.7077 -11.4222 -11.4117 -11.2831 -11.2820 -5.5721 -5.5474 -5.4628 -5.4183 -5.3029 -5.2846 -5.2107 -5.1670 -5.1039 -5.0971 -5.0815 -5.0743 -4.9142 -4.8836 -4.5957 -4.5793 -0.7099 -0.6847 -0.4714 -0.4305 -0.0099 0.0240 1.4156 1.4551 1.8331 1.8688 2.2037 2.2576 3.4250 3.4350 3.6745 3.6785 3.8003 3.8054 3.9759 3.9849 4.2639 4.2709 4.3929 4.3974 4.4714 4.4729 4.5485 4.5518 4.7683 4.7714 4.9710 4.9796 5.4187 5.4397 5.6240 5.6528 9.7593 9.8505 10.1274 10.1695 10.4949 10.5718 11.9413 11.9548 12.5027 12.5624 13.0544 13.1285 14.4351 14.4594 Writing output data file KIO3.save init_run : 3.58s CPU 11.77s WALL ( 1 calls) electrons : 2297.25s CPU 2318.35s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.33s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 2297.16s CPU 2318.00s WALL ( 1 calls) v_of_rho : 0.19s CPU 1.02s WALL ( 1 calls) v_h : 0.01s CPU 0.03s WALL ( 1 calls) v_xc : 0.18s CPU 0.63s WALL ( 1 calls) newd : 0.46s CPU 0.56s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.12s WALL ( 240 calls) cegterg : 2214.00s CPU 2231.84s WALL ( 1150 calls) Called by sum_band: Called by *egterg: h_psi : 823.94s CPU 837.64s WALL ( 22298 calls) s_psi : 60.25s CPU 60.94s WALL ( 22298 calls) g_psi : 1.63s CPU 1.74s WALL ( 20908 calls) cdiaghg : 1026.52s CPU 1023.04s WALL ( 21148 calls) cegterg:over : 155.86s CPU 149.56s WALL ( 20908 calls) cegterg:upda : 54.50s CPU 59.60s WALL ( 20908 calls) cegterg:last : 33.94s CPU 34.56s WALL ( 2110 calls) Called by h_psi: h_psi:vloc : 674.97s CPU 686.60s WALL ( 22298 calls) h_psi:vnl : 147.85s CPU 149.12s WALL ( 22298 calls) add_vuspsi : 50.01s CPU 57.33s WALL ( 22298 calls) General routines calbec : 97.75s CPU 91.62s WALL ( 22298 calls) fft : 0.50s CPU 1.19s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 635.35s CPU 646.98s WALL ( 1949176 calls) interpolate : 0.03s CPU 0.08s WALL ( 4 calls) davcio : 0.02s CPU 1.70s WALL ( 480 calls) Parallel routines fft_scatter : 361.14s CPU 364.65s WALL ( 1949199 calls) PWSCF : 39m36.87s CPU 42m27.86s WALL This run was terminated on: 23: 0:14 25Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=