Program PWSCF v.5.4.0 starts on 12Feb2017 at 3:57:11 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaTeH6O6F.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 74 61 17 2611 1952 285 Max 75 62 18 2612 1966 289 Sum 2677 2199 615 94003 70557 10379 bravais-lattice index = 14 lattice parameter (alat) = 10.7413 a.u. unit-cell volume = 953.6810 (a.u.)^3 number of atoms/cell = 15 number of atomic types = 5 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.741265 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.438214 celldm(5)= 0.438214 celldm(6)= 0.438214 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.438214 0.898871 0.000000 ) a(3) = ( 0.438214 0.273880 0.856130 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.487516 -0.355896 ) b(2) = ( 0.000000 1.112507 -0.355896 ) b(3) = ( 0.000000 0.000000 1.168047 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 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 1121 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. # 4 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 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. # 5 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) F 7.00 18.99840 F( 1.00) Na 9.00 22.98980 Na( 1.00) Te 6.00 127.60000 Te( 1.00) H 1.00 1.00790 H( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 245 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 2) = ( 0.0151515 -0.0073866 -0.0053924), wk = 0.0040816 k( 3) = ( 0.0303030 -0.0147732 -0.0107847), wk = 0.0040816 k( 4) = ( 0.0454546 -0.0221598 -0.0161771), wk = 0.0040816 k( 5) = ( 0.0606061 -0.0295464 -0.0215695), wk = 0.0040816 k( 6) = ( 0.0757576 -0.0369330 -0.0269618), wk = 0.0040816 k( 7) = ( 0.0909091 -0.0443196 -0.0323542), wk = 0.0040816 k( 8) = ( 0.1060606 -0.0517063 -0.0377465), wk = 0.0040816 k( 9) = ( 0.1212121 -0.0590929 -0.0431389), wk = 0.0040816 k( 10) = ( 0.1363636 -0.0664795 -0.0485313), wk = 0.0040816 k( 11) = ( 0.1515151 -0.0738661 -0.0539236), wk = 0.0040816 k( 12) = ( 0.1666667 -0.0812527 -0.0593160), wk = 0.0040816 k( 13) = ( 0.1818182 -0.0886393 -0.0647084), wk = 0.0040816 k( 14) = ( 0.1969697 -0.0960259 -0.0701007), wk = 0.0040816 k( 15) = ( 0.2121212 -0.1034125 -0.0754931), wk = 0.0040816 k( 16) = ( 0.2272727 -0.1107991 -0.0808854), wk = 0.0040816 k( 17) = ( 0.2424242 -0.1181857 -0.0862778), wk = 0.0040816 k( 18) = ( 0.2575758 -0.1255723 -0.0916702), wk = 0.0040816 k( 19) = ( 0.2727273 -0.1329589 -0.0970625), wk = 0.0040816 k( 20) = ( 0.2878788 -0.1403456 -0.1024549), wk = 0.0040816 k( 21) = ( 0.3030303 -0.1477322 -0.1078473), wk = 0.0040816 k( 22) = ( 0.3181818 -0.1551188 -0.1132396), wk = 0.0040816 k( 23) = ( 0.3333333 -0.1625054 -0.1186320), wk = 0.0040816 k( 24) = ( 0.3484849 -0.1698920 -0.1240243), wk = 0.0040816 k( 25) = ( 0.3636364 -0.1772786 -0.1294167), wk = 0.0040816 k( 26) = ( 0.3787879 -0.1846652 -0.1348091), wk = 0.0040816 k( 27) = ( 0.3939394 -0.1920518 -0.1402014), wk = 0.0040816 k( 28) = ( 0.4090909 -0.1994384 -0.1455938), wk = 0.0040816 k( 29) = ( 0.4242424 -0.2068250 -0.1509862), wk = 0.0040816 k( 30) = ( 0.4393939 -0.2142116 -0.1563785), wk = 0.0040816 k( 31) = ( 0.4545455 -0.2215982 -0.1617709), wk = 0.0040816 k( 32) = ( 0.4696970 -0.2289849 -0.1671633), wk = 0.0040816 k( 33) = ( 0.4848485 -0.2363715 -0.1725556), wk = 0.0040816 k( 34) = ( 0.5000000 -0.2437581 -0.1779480), wk = 0.0040816 k( 35) = ( 0.5000000 -0.2437581 -0.1779480), wk = 0.0040816 k( 36) = ( 0.5000000 -0.2331708 -0.1924507), wk = 0.0040816 k( 37) = ( 0.5000000 -0.2225836 -0.2069534), wk = 0.0040816 k( 38) = ( 0.5000000 -0.2119963 -0.2214561), wk = 0.0040816 k( 39) = ( 0.5000000 -0.2014091 -0.2359588), wk = 0.0040816 k( 40) = ( 0.5000000 -0.1908219 -0.2504615), wk = 0.0040816 k( 41) = ( 0.5000000 -0.1802346 -0.2649642), wk = 0.0040816 k( 42) = ( 0.5000000 -0.1696474 -0.2794669), wk = 0.0040816 k( 43) = ( 0.5000000 -0.1590601 -0.2939696), wk = 0.0040816 k( 44) = ( 0.5000000 -0.1484729 -0.3084723), wk = 0.0040816 k( 45) = ( 0.5000000 -0.1378856 -0.3229750), wk = 0.0040816 k( 46) = ( 0.5000000 -0.1272984 -0.3374777), wk = 0.0040816 k( 47) = ( 0.5000000 -0.1167112 -0.3519803), wk = 0.0040816 k( 48) = ( 0.5000000 -0.1061239 -0.3664831), wk = 0.0040816 k( 49) = ( 0.5000000 -0.0955367 -0.3809858), wk = 0.0040816 k( 50) = ( 0.5000000 -0.0849494 -0.3954884), wk = 0.0040816 k( 51) = ( 0.5000000 -0.0743622 -0.4099911), wk = 0.0040816 k( 52) = ( 0.5000000 -0.0637749 -0.4244939), wk = 0.0040816 k( 53) = ( 0.5000000 -0.0531877 -0.4389965), wk = 0.0040816 k( 54) = ( 0.5000000 -0.0426005 -0.4534992), wk = 0.0040816 k( 55) = ( 0.5000000 -0.0320132 -0.4680019), wk = 0.0040816 k( 56) = ( 0.5000000 -0.0214260 -0.4825046), wk = 0.0040816 k( 57) = ( 0.5000000 -0.0108387 -0.4970073), wk = 0.0040816 k( 58) = ( 0.5000000 -0.0002515 -0.5115100), wk = 0.0040816 k( 59) = ( 0.5000000 0.0103358 -0.5260127), wk = 0.0040816 k( 60) = ( 0.5000000 0.0209230 -0.5405154), wk = 0.0040816 k( 61) = ( 0.5000000 0.0315102 -0.5550181), wk = 0.0040816 k( 62) = ( 0.5000000 0.0420975 -0.5695208), wk = 0.0040816 k( 63) = ( 0.5000000 0.0526847 -0.5840235), wk = 0.0040816 k( 64) = ( 0.7335363 0.1986428 -0.1277684), wk = 0.0040816 k( 65) = ( 0.7241948 0.2031969 -0.1135325), wk = 0.0040816 k( 66) = ( 0.7148534 0.2077510 -0.0992967), wk = 0.0040816 k( 67) = ( 0.7055119 0.2123051 -0.0850609), wk = 0.0040816 k( 68) = ( 0.6961705 0.2168592 -0.0708250), wk = 0.0040816 k( 69) = ( 0.6868290 0.2214133 -0.0565892), wk = 0.0040816 k( 70) = ( 0.6774876 0.2259674 -0.0423534), wk = 0.0040816 k( 71) = ( 0.6681461 0.2305215 -0.0281175), wk = 0.0040816 k( 72) = ( 0.6588047 0.2350756 -0.0138817), wk = 0.0040816 k( 73) = ( 0.6494632 0.2396297 0.0003542), wk = 0.0040816 k( 74) = ( 0.6401218 0.2441838 0.0145900), wk = 0.0040816 k( 75) = ( 0.6307803 0.2487380 0.0288258), wk = 0.0040816 k( 76) = ( 0.6214389 0.2532921 0.0430617), wk = 0.0040816 k( 77) = ( 0.6120974 0.2578462 0.0572975), wk = 0.0040816 k( 78) = ( 0.6027560 0.2624003 0.0715333), wk = 0.0040816 k( 79) = ( 0.5934145 0.2669544 0.0857692), wk = 0.0040816 k( 80) = ( 0.5840730 0.2715085 0.1000050), wk = 0.0040816 k( 81) = ( 0.5747316 0.2760626 0.1142409), wk = 0.0040816 k( 82) = ( 0.5653902 0.2806167 0.1284767), wk = 0.0040816 k( 83) = ( 0.5560487 0.2851708 0.1427125), wk = 0.0040816 k( 84) = ( 0.5467072 0.2897249 0.1569484), wk = 0.0040816 k( 85) = ( 0.5373658 0.2942790 0.1711842), wk = 0.0040816 k( 86) = ( 0.5280244 0.2988331 0.1854201), wk = 0.0040816 k( 87) = ( 0.5186829 0.3033873 0.1996559), wk = 0.0040816 k( 88) = ( 0.5093414 0.3079414 0.2138917), wk = 0.0040816 k( 89) = ( 0.5000000 0.3124955 0.2281276), wk = 0.0040816 k( 90) = ( 0.5000000 0.3124955 0.2281276), wk = 0.0040816 k( 91) = ( 0.4857143 0.3035670 0.2216096), wk = 0.0040816 k( 92) = ( 0.4714286 0.2946386 0.2150917), wk = 0.0040816 k( 93) = ( 0.4571429 0.2857101 0.2085738), wk = 0.0040816 k( 94) = ( 0.4428571 0.2767817 0.2020558), wk = 0.0040816 k( 95) = ( 0.4285714 0.2678533 0.1955379), wk = 0.0040816 k( 96) = ( 0.4142857 0.2589248 0.1890200), wk = 0.0040816 k( 97) = ( 0.4000000 0.2499964 0.1825021), wk = 0.0040816 k( 98) = ( 0.3857143 0.2410679 0.1759841), wk = 0.0040816 k( 99) = ( 0.3714286 0.2321395 0.1694662), wk = 0.0040816 k( 100) = ( 0.3571429 0.2232111 0.1629483), wk = 0.0040816 k( 101) = ( 0.3428571 0.2142826 0.1564303), wk = 0.0040816 k( 102) = ( 0.3285714 0.2053542 0.1499124), wk = 0.0040816 k( 103) = ( 0.3142857 0.1964257 0.1433945), wk = 0.0040816 k( 104) = ( 0.3000000 0.1874973 0.1368765), wk = 0.0040816 k( 105) = ( 0.2857143 0.1785688 0.1303586), wk = 0.0040816 k( 106) = ( 0.2714286 0.1696404 0.1238407), wk = 0.0040816 k( 107) = ( 0.2571429 0.1607120 0.1173228), wk = 0.0040816 k( 108) = ( 0.2428571 0.1517835 0.1108048), wk = 0.0040816 k( 109) = ( 0.2285714 0.1428551 0.1042869), wk = 0.0040816 k( 110) = ( 0.2142857 0.1339266 0.0977690), wk = 0.0040816 k( 111) = ( 0.2000000 0.1249982 0.0912510), wk = 0.0040816 k( 112) = ( 0.1857143 0.1160697 0.0847331), wk = 0.0040816 k( 113) = ( 0.1714286 0.1071413 0.0782152), wk = 0.0040816 k( 114) = ( 0.1571429 0.0982129 0.0716972), wk = 0.0040816 k( 115) = ( 0.1428571 0.0892844 0.0651793), wk = 0.0040816 k( 116) = ( 0.1285714 0.0803560 0.0586614), wk = 0.0040816 k( 117) = ( 0.1142857 0.0714275 0.0521434), wk = 0.0040816 k( 118) = ( 0.1000000 0.0624991 0.0456255), wk = 0.0040816 k( 119) = ( 0.0857143 0.0535707 0.0391076), wk = 0.0040816 k( 120) = ( 0.0714286 0.0446422 0.0325897), wk = 0.0040816 k( 121) = ( 0.0571429 0.0357138 0.0260717), wk = 0.0040816 k( 122) = ( 0.0428571 0.0267853 0.0195538), wk = 0.0040816 k( 123) = ( 0.0285714 0.0178569 0.0130359), wk = 0.0040816 k( 124) = ( 0.0142857 0.0089284 0.0065179), wk = 0.0040816 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 127) = ( 0.0095808 -0.0046708 -0.0146006), wk = 0.0040816 k( 128) = ( 0.0191616 -0.0093416 -0.0292012), wk = 0.0040816 k( 129) = ( 0.0287424 -0.0140124 -0.0438018), wk = 0.0040816 k( 130) = ( 0.0383232 -0.0186832 -0.0584024), wk = 0.0040816 k( 131) = ( 0.0479040 -0.0233540 -0.0730029), wk = 0.0040816 k( 132) = ( 0.0574848 -0.0280248 -0.0876035), wk = 0.0040816 k( 133) = ( 0.0670656 -0.0326956 -0.1022041), wk = 0.0040816 k( 134) = ( 0.0766464 -0.0373663 -0.1168047), wk = 0.0040816 k( 135) = ( 0.0862272 -0.0420371 -0.1314053), wk = 0.0040816 k( 136) = ( 0.0958080 -0.0467079 -0.1460059), wk = 0.0040816 k( 137) = ( 0.1053888 -0.0513787 -0.1606065), wk = 0.0040816 k( 138) = ( 0.1149696 -0.0560495 -0.1752071), wk = 0.0040816 k( 139) = ( 0.1245504 -0.0607203 -0.1898076), wk = 0.0040816 k( 140) = ( 0.1341312 -0.0653911 -0.2044082), wk = 0.0040816 k( 141) = ( 0.1437120 -0.0700619 -0.2190088), wk = 0.0040816 k( 142) = ( 0.1532928 -0.0747327 -0.2336094), wk = 0.0040816 k( 143) = ( 0.1628735 -0.0794035 -0.2482100), wk = 0.0040816 k( 144) = ( 0.1724543 -0.0840743 -0.2628106), wk = 0.0040816 k( 145) = ( 0.1820351 -0.0887451 -0.2774112), wk = 0.0040816 k( 146) = ( 0.1916159 -0.0934159 -0.2920118), wk = 0.0040816 k( 147) = ( 0.2011967 -0.0980867 -0.3066123), wk = 0.0040816 k( 148) = ( 0.2107775 -0.1027574 -0.3212129), wk = 0.0040816 k( 149) = ( 0.2203583 -0.1074282 -0.3358135), wk = 0.0040816 k( 150) = ( 0.2299391 -0.1120990 -0.3504141), wk = 0.0040816 k( 151) = ( 0.2395199 -0.1167698 -0.3650147), wk = 0.0040816 k( 152) = ( 0.2491007 -0.1214406 -0.3796153), wk = 0.0040816 k( 153) = ( 0.2586815 -0.1261114 -0.3942159), wk = 0.0040816 k( 154) = ( 0.2682623 -0.1307822 -0.4088165), wk = 0.0040816 k( 155) = ( 0.2778431 -0.1354530 -0.4234170), wk = 0.0040816 k( 156) = ( 0.2874239 -0.1401238 -0.4380176), wk = 0.0040816 k( 157) = ( 0.2970047 -0.1447946 -0.4526182), wk = 0.0040816 k( 158) = ( 0.3065855 -0.1494654 -0.4672188), wk = 0.0040816 k( 159) = ( 0.3161663 -0.1541362 -0.4818194), wk = 0.0040816 k( 160) = ( 0.3257471 -0.1588070 -0.4964200), wk = 0.0040816 k( 161) = ( 0.3353279 -0.1634778 -0.5110206), wk = 0.0040816 k( 162) = ( 0.3449087 -0.1681485 -0.5256212), wk = 0.0040816 k( 163) = ( 0.3544895 -0.1728193 -0.5402218), wk = 0.0040816 k( 164) = ( 0.3640703 -0.1774901 -0.5548224), wk = 0.0040816 k( 165) = ( 0.3736511 -0.1821609 -0.5694229), wk = 0.0040816 k( 166) = ( 0.3832319 -0.1868317 -0.5840235), wk = 0.0040816 k( 167) = ( 0.6167681 0.1256638 -0.3558960), wk = 0.0040816 k( 168) = ( 0.6077860 0.1400354 -0.3558960), wk = 0.0040816 k( 169) = ( 0.5988038 0.1544071 -0.3558960), wk = 0.0040816 k( 170) = ( 0.5898216 0.1687788 -0.3558960), wk = 0.0040816 k( 171) = ( 0.5808395 0.1831504 -0.3558960), wk = 0.0040816 k( 172) = ( 0.5718573 0.1975221 -0.3558960), wk = 0.0040816 k( 173) = ( 0.5628751 0.2118938 -0.3558960), wk = 0.0040816 k( 174) = ( 0.5538930 0.2262654 -0.3558960), wk = 0.0040816 k( 175) = ( 0.5449108 0.2406371 -0.3558960), wk = 0.0040816 k( 176) = ( 0.5359287 0.2550088 -0.3558960), wk = 0.0040816 k( 177) = ( 0.5269465 0.2693805 -0.3558960), wk = 0.0040816 k( 178) = ( 0.5179643 0.2837521 -0.3558960), wk = 0.0040816 k( 179) = ( 0.5089822 0.2981238 -0.3558960), wk = 0.0040816 k( 180) = ( 0.5000000 0.3124955 -0.3558960), wk = 0.0040816 k( 181) = ( 0.5000000 0.3124955 -0.3558960), wk = 0.0040816 k( 182) = ( 0.5077845 0.3173607 -0.3406874), wk = 0.0040816 k( 183) = ( 0.5155691 0.3222260 -0.3254789), wk = 0.0040816 k( 184) = ( 0.5233536 0.3270913 -0.3102704), wk = 0.0040816 k( 185) = ( 0.5311382 0.3319565 -0.2950619), wk = 0.0040816 k( 186) = ( 0.5389227 0.3368218 -0.2798534), wk = 0.0040816 k( 187) = ( 0.5467072 0.3416871 -0.2646449), wk = 0.0040816 k( 188) = ( 0.5544918 0.3465523 -0.2494364), wk = 0.0040816 k( 189) = ( 0.5622763 0.3514176 -0.2342279), wk = 0.0040816 k( 190) = ( 0.5700609 0.3562829 -0.2190194), wk = 0.0040816 k( 191) = ( 0.5778454 0.3611481 -0.2038109), wk = 0.0040816 k( 192) = ( 0.5856300 0.3660134 -0.1886024), wk = 0.0040816 k( 193) = ( 0.5934145 0.3708787 -0.1733939), wk = 0.0040816 k( 194) = ( 0.6011990 0.3757440 -0.1581854), wk = 0.0040816 k( 195) = ( 0.6089836 0.3806092 -0.1429769), wk = 0.0040816 k( 196) = ( 0.6167681 0.3854745 -0.1277684), wk = 0.0040816 k( 197) = ( 0.6167681 0.3854745 -0.1277684), wk = 0.0040816 k( 198) = ( 0.6114605 0.3821573 -0.1115913), wk = 0.0040816 k( 199) = ( 0.6061528 0.3788400 -0.0954142), wk = 0.0040816 k( 200) = ( 0.6008452 0.3755228 -0.0792371), wk = 0.0040816 k( 201) = ( 0.5955376 0.3722056 -0.0630600), wk = 0.0040816 k( 202) = ( 0.5902299 0.3688884 -0.0468829), wk = 0.0040816 k( 203) = ( 0.5849223 0.3655711 -0.0307058), wk = 0.0040816 k( 204) = ( 0.5796146 0.3622539 -0.0145288), wk = 0.0040816 k( 205) = ( 0.5743070 0.3589367 0.0016483), wk = 0.0040816 k( 206) = ( 0.5689994 0.3556194 0.0178254), wk = 0.0040816 k( 207) = ( 0.5636917 0.3523022 0.0340025), wk = 0.0040816 k( 208) = ( 0.5583841 0.3489850 0.0501796), wk = 0.0040816 k( 209) = ( 0.5530764 0.3456677 0.0663567), wk = 0.0040816 k( 210) = ( 0.5477688 0.3423505 0.0825338), wk = 0.0040816 k( 211) = ( 0.5424611 0.3390333 0.0987109), wk = 0.0040816 k( 212) = ( 0.5371535 0.3357161 0.1148880), wk = 0.0040816 k( 213) = ( 0.5318458 0.3323988 0.1310650), wk = 0.0040816 k( 214) = ( 0.5265382 0.3290816 0.1472421), wk = 0.0040816 k( 215) = ( 0.5212306 0.3257644 0.1634192), wk = 0.0040816 k( 216) = ( 0.5159229 0.3224472 0.1795963), wk = 0.0040816 k( 217) = ( 0.5106153 0.3191299 0.1957734), wk = 0.0040816 k( 218) = ( 0.5053076 0.3158127 0.2119505), wk = 0.0040816 k( 219) = ( 0.5000000 0.3124955 0.2281276), wk = 0.0040816 k( 220) = ( 0.5000000 -0.2437581 -0.1779480), wk = 0.0040816 k( 221) = ( 0.5093414 -0.2312583 -0.1688229), wk = 0.0040816 k( 222) = ( 0.5186829 -0.2187584 -0.1596978), wk = 0.0040816 k( 223) = ( 0.5280244 -0.2062586 -0.1505727), wk = 0.0040816 k( 224) = ( 0.5373658 -0.1937588 -0.1414476), wk = 0.0040816 k( 225) = ( 0.5467072 -0.1812590 -0.1323225), wk = 0.0040816 k( 226) = ( 0.5560487 -0.1687592 -0.1231974), wk = 0.0040816 k( 227) = ( 0.5653902 -0.1562593 -0.1140723), wk = 0.0040816 k( 228) = ( 0.5747316 -0.1437595 -0.1049472), wk = 0.0040816 k( 229) = ( 0.5840730 -0.1312597 -0.0958221), wk = 0.0040816 k( 230) = ( 0.5934145 -0.1187599 -0.0866969), wk = 0.0040816 k( 231) = ( 0.6027560 -0.1062601 -0.0775718), wk = 0.0040816 k( 232) = ( 0.6120974 -0.0937602 -0.0684467), wk = 0.0040816 k( 233) = ( 0.6214389 -0.0812604 -0.0593216), wk = 0.0040816 k( 234) = ( 0.6307803 -0.0687606 -0.0501965), wk = 0.0040816 k( 235) = ( 0.6401218 -0.0562608 -0.0410714), wk = 0.0040816 k( 236) = ( 0.6494632 -0.0437610 -0.0319463), wk = 0.0040816 k( 237) = ( 0.6588047 -0.0312612 -0.0228212), wk = 0.0040816 k( 238) = ( 0.6681461 -0.0187613 -0.0136961), wk = 0.0040816 k( 239) = ( 0.6774876 -0.0062615 -0.0045710), wk = 0.0040816 k( 240) = ( 0.6868290 0.0062383 0.0045541), wk = 0.0040816 k( 241) = ( 0.6961705 0.0187381 0.0136792), wk = 0.0040816 k( 242) = ( 0.7055119 0.0312379 0.0228043), wk = 0.0040816 k( 243) = ( 0.7148534 0.0437378 0.0319294), wk = 0.0040816 k( 244) = ( 0.7241948 0.0562376 0.0410545), wk = 0.0040816 k( 245) = ( 0.7335363 0.0687374 0.0501796), wk = 0.0040816 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 2) = ( 0.0151515 -0.0000000 0.0000000), wk = 0.0040816 k( 3) = ( 0.0303030 -0.0000000 0.0000000), wk = 0.0040816 k( 4) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0040816 k( 5) = ( 0.0606061 -0.0000000 0.0000000), wk = 0.0040816 k( 6) = ( 0.0757576 0.0000000 0.0000000), wk = 0.0040816 k( 7) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0040816 k( 8) = ( 0.1060606 0.0000000 0.0000000), wk = 0.0040816 k( 9) = ( 0.1212121 -0.0000000 0.0000000), wk = 0.0040816 k( 10) = ( 0.1363636 -0.0000000 0.0000000), wk = 0.0040816 k( 11) = ( 0.1515151 -0.0000000 0.0000000), wk = 0.0040816 k( 12) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0040816 k( 13) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0040816 k( 14) = ( 0.1969697 0.0000000 0.0000000), wk = 0.0040816 k( 15) = ( 0.2121212 0.0000000 0.0000000), wk = 0.0040816 k( 16) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0040816 k( 17) = ( 0.2424242 -0.0000000 0.0000000), wk = 0.0040816 k( 18) = ( 0.2575758 0.0000000 0.0000000), wk = 0.0040816 k( 19) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0040816 k( 20) = ( 0.2878788 0.0000000 0.0000000), wk = 0.0040816 k( 21) = ( 0.3030303 -0.0000000 0.0000000), wk = 0.0040816 k( 22) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0040816 k( 23) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0040816 k( 24) = ( 0.3484849 0.0000000 0.0000000), wk = 0.0040816 k( 25) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0040816 k( 26) = ( 0.3787879 -0.0000000 0.0000000), wk = 0.0040816 k( 27) = ( 0.3939394 -0.0000000 0.0000000), wk = 0.0040816 k( 28) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0040816 k( 29) = ( 0.4242424 0.0000000 0.0000000), wk = 0.0040816 k( 30) = ( 0.4393939 0.0000000 0.0000000), wk = 0.0040816 k( 31) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0040816 k( 32) = ( 0.4696970 0.0000000 0.0000000), wk = 0.0040816 k( 33) = ( 0.4848485 -0.0000000 0.0000000), wk = 0.0040816 k( 34) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0040816 k( 35) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0040816 k( 36) = ( 0.5000000 0.0095166 -0.0095166), wk = 0.0040816 k( 37) = ( 0.5000000 0.0190331 -0.0190331), wk = 0.0040816 k( 38) = ( 0.5000000 0.0285497 -0.0285497), wk = 0.0040816 k( 39) = ( 0.5000000 0.0380663 -0.0380663), wk = 0.0040816 k( 40) = ( 0.5000000 0.0475828 -0.0475828), wk = 0.0040816 k( 41) = ( 0.5000000 0.0570994 -0.0570994), wk = 0.0040816 k( 42) = ( 0.5000000 0.0666159 -0.0666159), wk = 0.0040816 k( 43) = ( 0.5000000 0.0761325 -0.0761325), wk = 0.0040816 k( 44) = ( 0.5000000 0.0856491 -0.0856491), wk = 0.0040816 k( 45) = ( 0.5000000 0.0951656 -0.0951656), wk = 0.0040816 k( 46) = ( 0.5000000 0.1046822 -0.1046822), wk = 0.0040816 k( 47) = ( 0.5000000 0.1141987 -0.1141987), wk = 0.0040816 k( 48) = ( 0.5000000 0.1237153 -0.1237153), wk = 0.0040816 k( 49) = ( 0.5000000 0.1332319 -0.1332319), wk = 0.0040816 k( 50) = ( 0.5000000 0.1427484 -0.1427484), wk = 0.0040816 k( 51) = ( 0.5000000 0.1522650 -0.1522650), wk = 0.0040816 k( 52) = ( 0.5000000 0.1617816 -0.1617816), wk = 0.0040816 k( 53) = ( 0.5000000 0.1712981 -0.1712981), wk = 0.0040816 k( 54) = ( 0.5000000 0.1808147 -0.1808147), wk = 0.0040816 k( 55) = ( 0.5000000 0.1903312 -0.1903312), wk = 0.0040816 k( 56) = ( 0.5000000 0.1998478 -0.1998478), wk = 0.0040816 k( 57) = ( 0.5000000 0.2093644 -0.2093644), wk = 0.0040816 k( 58) = ( 0.5000000 0.2188809 -0.2188809), wk = 0.0040816 k( 59) = ( 0.5000000 0.2283975 -0.2283975), wk = 0.0040816 k( 60) = ( 0.5000000 0.2379140 -0.2379140), wk = 0.0040816 k( 61) = ( 0.5000000 0.2474306 -0.2474306), wk = 0.0040816 k( 62) = ( 0.5000000 0.2569472 -0.2569472), wk = 0.0040816 k( 63) = ( 0.5000000 0.2664637 -0.2664637), wk = 0.0040816 k( 64) = ( 0.7335363 0.5000000 0.2664637), wk = 0.0040816 k( 65) = ( 0.7241948 0.5000000 0.2758052), wk = 0.0040816 k( 66) = ( 0.7148534 0.5000000 0.2851466), wk = 0.0040816 k( 67) = ( 0.7055119 0.5000000 0.2944881), wk = 0.0040816 k( 68) = ( 0.6961705 0.5000000 0.3038295), wk = 0.0040816 k( 69) = ( 0.6868290 0.5000000 0.3131710), wk = 0.0040816 k( 70) = ( 0.6774876 0.5000000 0.3225124), wk = 0.0040816 k( 71) = ( 0.6681461 0.5000000 0.3318539), wk = 0.0040816 k( 72) = ( 0.6588047 0.5000000 0.3411953), wk = 0.0040816 k( 73) = ( 0.6494632 0.5000000 0.3505368), wk = 0.0040816 k( 74) = ( 0.6401218 0.5000000 0.3598782), wk = 0.0040816 k( 75) = ( 0.6307803 0.5000000 0.3692197), wk = 0.0040816 k( 76) = ( 0.6214389 0.5000000 0.3785611), wk = 0.0040816 k( 77) = ( 0.6120974 0.5000000 0.3879026), wk = 0.0040816 k( 78) = ( 0.6027560 0.5000000 0.3972440), wk = 0.0040816 k( 79) = ( 0.5934145 0.5000000 0.4065855), wk = 0.0040816 k( 80) = ( 0.5840730 0.5000000 0.4159270), wk = 0.0040816 k( 81) = ( 0.5747316 0.5000000 0.4252684), wk = 0.0040816 k( 82) = ( 0.5653902 0.5000000 0.4346099), wk = 0.0040816 k( 83) = ( 0.5560487 0.5000000 0.4439513), wk = 0.0040816 k( 84) = ( 0.5467072 0.5000000 0.4532928), wk = 0.0040816 k( 85) = ( 0.5373658 0.5000000 0.4626342), wk = 0.0040816 k( 86) = ( 0.5280244 0.5000000 0.4719757), wk = 0.0040816 k( 87) = ( 0.5186829 0.5000000 0.4813171), wk = 0.0040816 k( 88) = ( 0.5093414 0.5000000 0.4906586), wk = 0.0040816 k( 89) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040816 k( 90) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040816 k( 91) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0040816 k( 92) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0040816 k( 93) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0040816 k( 94) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0040816 k( 95) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0040816 k( 96) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0040816 k( 97) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0040816 k( 98) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0040816 k( 99) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0040816 k( 100) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0040816 k( 101) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0040816 k( 102) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0040816 k( 103) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0040816 k( 104) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0040816 k( 105) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0040816 k( 106) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0040816 k( 107) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0040816 k( 108) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0040816 k( 109) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0040816 k( 110) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0040816 k( 111) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0040816 k( 112) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0040816 k( 113) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0040816 k( 114) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0040816 k( 115) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0040816 k( 116) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0040816 k( 117) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0040816 k( 118) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0040816 k( 119) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0040816 k( 120) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0040816 k( 121) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0040816 k( 122) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0040816 k( 123) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0040816 k( 124) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0040816 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 127) = ( 0.0095808 0.0000000 -0.0095808), wk = 0.0040816 k( 128) = ( 0.0191616 0.0000000 -0.0191616), wk = 0.0040816 k( 129) = ( 0.0287424 0.0000000 -0.0287424), wk = 0.0040816 k( 130) = ( 0.0383232 0.0000000 -0.0383232), wk = 0.0040816 k( 131) = ( 0.0479040 0.0000000 -0.0479040), wk = 0.0040816 k( 132) = ( 0.0574848 0.0000000 -0.0574848), wk = 0.0040816 k( 133) = ( 0.0670656 0.0000000 -0.0670656), wk = 0.0040816 k( 134) = ( 0.0766464 0.0000000 -0.0766464), wk = 0.0040816 k( 135) = ( 0.0862272 0.0000000 -0.0862272), wk = 0.0040816 k( 136) = ( 0.0958080 0.0000000 -0.0958080), wk = 0.0040816 k( 137) = ( 0.1053888 0.0000000 -0.1053888), wk = 0.0040816 k( 138) = ( 0.1149696 0.0000000 -0.1149696), wk = 0.0040816 k( 139) = ( 0.1245504 0.0000000 -0.1245504), wk = 0.0040816 k( 140) = ( 0.1341312 -0.0000000 -0.1341312), wk = 0.0040816 k( 141) = ( 0.1437120 0.0000000 -0.1437120), wk = 0.0040816 k( 142) = ( 0.1532928 -0.0000000 -0.1532928), wk = 0.0040816 k( 143) = ( 0.1628735 0.0000000 -0.1628735), wk = 0.0040816 k( 144) = ( 0.1724543 0.0000000 -0.1724543), wk = 0.0040816 k( 145) = ( 0.1820351 0.0000000 -0.1820351), wk = 0.0040816 k( 146) = ( 0.1916159 -0.0000000 -0.1916159), wk = 0.0040816 k( 147) = ( 0.2011967 0.0000000 -0.2011967), wk = 0.0040816 k( 148) = ( 0.2107775 -0.0000000 -0.2107775), wk = 0.0040816 k( 149) = ( 0.2203583 0.0000000 -0.2203583), wk = 0.0040816 k( 150) = ( 0.2299391 0.0000000 -0.2299391), wk = 0.0040816 k( 151) = ( 0.2395199 0.0000000 -0.2395199), wk = 0.0040816 k( 152) = ( 0.2491007 0.0000000 -0.2491007), wk = 0.0040816 k( 153) = ( 0.2586815 0.0000000 -0.2586815), wk = 0.0040816 k( 154) = ( 0.2682623 0.0000000 -0.2682623), wk = 0.0040816 k( 155) = ( 0.2778431 -0.0000000 -0.2778431), wk = 0.0040816 k( 156) = ( 0.2874239 0.0000000 -0.2874239), wk = 0.0040816 k( 157) = ( 0.2970047 -0.0000000 -0.2970047), wk = 0.0040816 k( 158) = ( 0.3065855 -0.0000000 -0.3065855), wk = 0.0040816 k( 159) = ( 0.3161663 0.0000000 -0.3161663), wk = 0.0040816 k( 160) = ( 0.3257471 0.0000000 -0.3257471), wk = 0.0040816 k( 161) = ( 0.3353279 -0.0000000 -0.3353279), wk = 0.0040816 k( 162) = ( 0.3449087 0.0000000 -0.3449087), wk = 0.0040816 k( 163) = ( 0.3544895 0.0000000 -0.3544895), wk = 0.0040816 k( 164) = ( 0.3640703 0.0000000 -0.3640703), wk = 0.0040816 k( 165) = ( 0.3736511 0.0000000 -0.3736511), wk = 0.0040816 k( 166) = ( 0.3832319 -0.0000000 -0.3832319), wk = 0.0040816 k( 167) = ( 0.6167681 0.3832319 0.0000000), wk = 0.0040816 k( 168) = ( 0.6077860 0.3922140 0.0000000), wk = 0.0040816 k( 169) = ( 0.5988038 0.4011962 0.0000000), wk = 0.0040816 k( 170) = ( 0.5898216 0.4101784 -0.0000000), wk = 0.0040816 k( 171) = ( 0.5808395 0.4191605 0.0000000), wk = 0.0040816 k( 172) = ( 0.5718573 0.4281427 0.0000000), wk = 0.0040816 k( 173) = ( 0.5628751 0.4371249 -0.0000000), wk = 0.0040816 k( 174) = ( 0.5538930 0.4461070 -0.0000000), wk = 0.0040816 k( 175) = ( 0.5449108 0.4550892 -0.0000000), wk = 0.0040816 k( 176) = ( 0.5359287 0.4640713 0.0000000), wk = 0.0040816 k( 177) = ( 0.5269465 0.4730535 -0.0000000), wk = 0.0040816 k( 178) = ( 0.5179643 0.4820357 -0.0000000), wk = 0.0040816 k( 179) = ( 0.5089822 0.4910178 0.0000000), wk = 0.0040816 k( 180) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0040816 k( 181) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0040816 k( 182) = ( 0.5077845 0.5077845 0.0177642), wk = 0.0040816 k( 183) = ( 0.5155691 0.5155691 0.0355285), wk = 0.0040816 k( 184) = ( 0.5233536 0.5233536 0.0532928), wk = 0.0040816 k( 185) = ( 0.5311382 0.5311382 0.0710570), wk = 0.0040816 k( 186) = ( 0.5389227 0.5389227 0.0888213), wk = 0.0040816 k( 187) = ( 0.5467072 0.5467072 0.1065855), wk = 0.0040816 k( 188) = ( 0.5544918 0.5544918 0.1243497), wk = 0.0040816 k( 189) = ( 0.5622763 0.5622763 0.1421140), wk = 0.0040816 k( 190) = ( 0.5700609 0.5700609 0.1598782), wk = 0.0040816 k( 191) = ( 0.5778454 0.5778454 0.1776425), wk = 0.0040816 k( 192) = ( 0.5856300 0.5856300 0.1954067), wk = 0.0040816 k( 193) = ( 0.5934145 0.5934145 0.2131710), wk = 0.0040816 k( 194) = ( 0.6011990 0.6011990 0.2309352), wk = 0.0040816 k( 195) = ( 0.6089836 0.6089836 0.2486995), wk = 0.0040816 k( 196) = ( 0.6167681 0.6167681 0.2664637), wk = 0.0040816 k( 197) = ( 0.6167681 0.6167681 0.2664637), wk = 0.0040816 k( 198) = ( 0.6114605 0.6114605 0.2770790), wk = 0.0040816 k( 199) = ( 0.6061528 0.6061528 0.2876943), wk = 0.0040816 k( 200) = ( 0.6008452 0.6008452 0.2983096), wk = 0.0040816 k( 201) = ( 0.5955376 0.5955376 0.3089249), wk = 0.0040816 k( 202) = ( 0.5902299 0.5902299 0.3195402), wk = 0.0040816 k( 203) = ( 0.5849223 0.5849223 0.3301555), wk = 0.0040816 k( 204) = ( 0.5796146 0.5796146 0.3407707), wk = 0.0040816 k( 205) = ( 0.5743070 0.5743070 0.3513860), wk = 0.0040816 k( 206) = ( 0.5689994 0.5689994 0.3620013), wk = 0.0040816 k( 207) = ( 0.5636917 0.5636917 0.3726166), wk = 0.0040816 k( 208) = ( 0.5583841 0.5583841 0.3832319), wk = 0.0040816 k( 209) = ( 0.5530764 0.5530764 0.3938471), wk = 0.0040816 k( 210) = ( 0.5477688 0.5477688 0.4044624), wk = 0.0040816 k( 211) = ( 0.5424611 0.5424611 0.4150777), wk = 0.0040816 k( 212) = ( 0.5371535 0.5371535 0.4256930), wk = 0.0040816 k( 213) = ( 0.5318458 0.5318458 0.4363083), wk = 0.0040816 k( 214) = ( 0.5265382 0.5265382 0.4469236), wk = 0.0040816 k( 215) = ( 0.5212306 0.5212306 0.4575389), wk = 0.0040816 k( 216) = ( 0.5159229 0.5159229 0.4681542), wk = 0.0040816 k( 217) = ( 0.5106153 0.5106153 0.4787694), wk = 0.0040816 k( 218) = ( 0.5053076 0.5053076 0.4893847), wk = 0.0040816 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040816 k( 220) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0040816 k( 221) = ( 0.5093414 0.0153293 0.0153293), wk = 0.0040816 k( 222) = ( 0.5186829 0.0306585 0.0306586), wk = 0.0040816 k( 223) = ( 0.5280244 0.0459878 0.0459878), wk = 0.0040816 k( 224) = ( 0.5373658 0.0613171 0.0613171), wk = 0.0040816 k( 225) = ( 0.5467072 0.0766464 0.0766464), wk = 0.0040816 k( 226) = ( 0.5560487 0.0919757 0.0919757), wk = 0.0040816 k( 227) = ( 0.5653902 0.1073049 0.1073049), wk = 0.0040816 k( 228) = ( 0.5747316 0.1226342 0.1226342), wk = 0.0040816 k( 229) = ( 0.5840730 0.1379635 0.1379635), wk = 0.0040816 k( 230) = ( 0.5934145 0.1532928 0.1532928), wk = 0.0040816 k( 231) = ( 0.6027560 0.1686220 0.1686220), wk = 0.0040816 k( 232) = ( 0.6120974 0.1839513 0.1839513), wk = 0.0040816 k( 233) = ( 0.6214389 0.1992806 0.1992806), wk = 0.0040816 k( 234) = ( 0.6307803 0.2146098 0.2146099), wk = 0.0040816 k( 235) = ( 0.6401218 0.2299391 0.2299391), wk = 0.0040816 k( 236) = ( 0.6494632 0.2452684 0.2452684), wk = 0.0040816 k( 237) = ( 0.6588047 0.2605977 0.2605977), wk = 0.0040816 k( 238) = ( 0.6681461 0.2759270 0.2759270), wk = 0.0040816 k( 239) = ( 0.6774876 0.2912562 0.2912562), wk = 0.0040816 k( 240) = ( 0.6868290 0.3065855 0.3065855), wk = 0.0040816 k( 241) = ( 0.6961705 0.3219148 0.3219148), wk = 0.0040816 k( 242) = ( 0.7055119 0.3372440 0.3372440), wk = 0.0040816 k( 243) = ( 0.7148534 0.3525733 0.3525733), wk = 0.0040816 k( 244) = ( 0.7241948 0.3679026 0.3679026), wk = 0.0040816 k( 245) = ( 0.7335363 0.3832319 0.3832319), wk = 0.0040816 Dense grid: 94003 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 70557 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.57 Mb ( 492, 76) NL pseudopotentials 0.59 Mb ( 246, 158) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2611) G-vector shells 0.02 Mb ( 2138) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.28 Mb ( 492, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.37 Mb ( 158, 2, 76) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./NaTeH6O6F.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 6.0 secs Computing kpt #: 3 total cpu time spent up to now is 7.6 secs Computing kpt #: 4 total cpu time spent up to now is 9.0 secs Computing kpt #: 5 total cpu time spent up to now is 10.4 secs Computing kpt #: 6 total cpu time spent up to now is 11.8 secs Computing kpt #: 7 total cpu time spent up to now is 13.2 secs Computing kpt #: 8 total cpu time spent up to now is 14.6 secs Computing kpt #: 9 total cpu time spent up to now is 16.0 secs Computing kpt #: 10 total cpu time spent up to now is 17.5 secs Computing kpt #: 11 total cpu time spent up to now is 18.9 secs Computing kpt #: 12 total cpu time spent up to now is 20.3 secs Computing kpt #: 13 total cpu time spent up to now is 21.7 secs Computing kpt #: 14 total cpu time spent up to now is 23.2 secs Computing kpt #: 15 total cpu time spent up to now is 24.6 secs Computing kpt #: 16 total cpu time spent up to now is 26.1 secs Computing kpt #: 17 total cpu time spent up to now is 27.6 secs Computing kpt #: 18 total cpu time spent up to now is 28.9 secs Computing kpt #: 19 total cpu time spent up to now is 30.4 secs Computing kpt #: 20 total cpu time spent up to now is 31.8 secs Computing kpt #: 21 total cpu time spent up to now is 33.2 secs Computing kpt #: 22 total cpu time spent up to now is 34.5 secs Computing kpt #: 23 total cpu time spent up to now is 35.9 secs Computing kpt #: 24 total cpu time spent up to now is 37.4 secs Computing kpt #: 25 total cpu time spent up to now is 38.7 secs Computing kpt #: 26 total cpu time spent up to now is 40.1 secs Computing kpt #: 27 total cpu time spent up to now is 41.4 secs Computing kpt #: 28 total cpu time spent up to now is 42.9 secs Computing kpt #: 29 total cpu time spent up to now is 44.2 secs Computing kpt #: 30 total cpu time spent up to now is 45.6 secs Computing kpt #: 31 total cpu time spent up to now is 47.0 secs Computing kpt #: 32 total cpu time spent up to now is 48.5 secs Computing kpt #: 33 total cpu time spent up to now is 50.2 secs Computing kpt #: 34 total cpu time spent up to now is 51.6 secs Computing kpt #: 35 total cpu time spent up to now is 53.0 secs Computing kpt #: 36 total cpu time spent up to now is 54.4 secs Computing kpt #: 37 total cpu time spent up to now is 55.8 secs Computing kpt #: 38 total cpu time spent up to now is 57.2 secs Computing kpt #: 39 total cpu time spent up to now is 58.7 secs Computing kpt #: 40 total cpu time spent up to now is 60.1 secs Computing kpt #: 41 total cpu time spent up to now is 61.4 secs Computing kpt #: 42 total cpu time spent up to now is 62.8 secs Computing kpt #: 43 total cpu time spent up to now is 64.2 secs Computing kpt #: 44 total cpu time spent up to now is 65.6 secs Computing kpt #: 45 total cpu time spent up to now is 67.0 secs Computing kpt #: 46 total cpu time spent up to now is 68.4 secs Computing kpt #: 47 total cpu time spent up to now is 69.7 secs Computing kpt #: 48 total cpu time spent up to now is 71.1 secs Computing kpt #: 49 total cpu time spent up to now is 72.5 secs Computing kpt #: 50 total cpu time spent up to now is 73.9 secs Computing kpt #: 51 total cpu time spent up to now is 75.3 secs Computing kpt #: 52 total cpu time spent up to now is 76.6 secs Computing kpt #: 53 total cpu time spent up to now is 78.0 secs Computing kpt #: 54 total cpu time spent up to now is 79.4 secs Computing kpt #: 55 total cpu time spent up to now is 80.8 secs Computing kpt #: 56 total cpu time spent up to now is 82.1 secs Computing kpt #: 57 total cpu time spent up to now is 83.6 secs Computing kpt #: 58 total cpu time spent up to now is 85.0 secs Computing kpt #: 59 total cpu time spent up to now is 86.4 secs Computing kpt #: 60 total cpu time spent up to now is 87.8 secs Computing kpt #: 61 total cpu time spent up to now is 89.2 secs Computing kpt #: 62 total cpu time spent up to now is 90.6 secs Computing kpt #: 63 total cpu time spent up to now is 92.1 secs Computing kpt #: 64 total cpu time spent up to now is 93.5 secs Computing kpt #: 65 total cpu time spent up to now is 94.9 secs Computing kpt #: 66 total cpu time spent up to now is 96.4 secs Computing kpt #: 67 total cpu time spent up to now is 97.8 secs Computing kpt #: 68 total cpu time spent up to now is 99.2 secs Computing kpt #: 69 total cpu time spent up to now is 100.6 secs Computing kpt #: 70 total cpu time spent up to now is 102.0 secs Computing kpt #: 71 total cpu time spent up to now is 103.4 secs Computing kpt #: 72 total cpu time spent up to now is 104.8 secs Computing kpt #: 73 total cpu time spent up to now is 106.2 secs Computing kpt #: 74 total cpu time spent up to now is 107.7 secs Computing kpt #: 75 total cpu time spent up to now is 109.0 secs Computing kpt #: 76 total cpu time spent up to now is 110.4 secs Computing kpt #: 77 total cpu time spent up to now is 111.8 secs Computing kpt #: 78 total cpu time spent up to now is 113.2 secs Computing kpt #: 79 total cpu time spent up to now is 114.5 secs Computing kpt #: 80 total cpu time spent up to now is 115.9 secs Computing kpt #: 81 total cpu time spent up to now is 117.2 secs Computing kpt 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spent up to now is 138.1 secs Computing kpt #: 98 total cpu time spent up to now is 139.4 secs Computing kpt #: 99 total cpu time spent up to now is 140.7 secs Computing kpt #: 100 total cpu time spent up to now is 142.1 secs Computing kpt #: 101 total cpu time spent up to now is 143.6 secs Computing kpt #: 102 total cpu time spent up to now is 145.0 secs Computing kpt #: 103 total cpu time spent up to now is 146.4 secs Computing kpt #: 104 total cpu time spent up to now is 147.8 secs Computing kpt #: 105 total cpu time spent up to now is 149.3 secs Computing kpt #: 106 total cpu time spent up to now is 150.9 secs Computing kpt #: 107 total cpu time spent up to now is 152.5 secs Computing kpt #: 108 total cpu time spent up to now is 154.0 secs Computing kpt #: 109 total cpu time spent up to now is 155.6 secs Computing kpt #: 110 total cpu time spent up to now is 157.0 secs Computing kpt #: 111 total cpu time spent up to now is 158.6 secs Computing kpt #: 112 total cpu time spent up to now is 160.2 secs Computing kpt #: 113 total cpu time spent up to now is 161.8 secs Computing kpt #: 114 total cpu time spent up to now is 163.3 secs Computing kpt #: 115 total cpu time spent up to now is 164.9 secs Computing kpt #: 116 total cpu time spent up to now is 166.5 secs Computing kpt #: 117 total cpu time spent up to now is 168.1 secs Computing kpt #: 118 total cpu time spent up to now is 169.7 secs Computing kpt #: 119 total cpu time spent up to now is 171.3 secs Computing kpt #: 120 total cpu time spent up to now is 172.8 secs Computing kpt #: 121 total cpu time spent up to now is 174.4 secs Computing kpt #: 122 total cpu time spent up to now is 175.8 secs Computing kpt #: 123 total cpu time spent up to now is 177.2 secs Computing kpt #: 124 total cpu time spent up to now is 178.6 secs Computing kpt #: 125 total cpu time spent up to now is 180.1 secs Computing kpt #: 126 total cpu time spent up to now is 181.7 secs Computing kpt #: 127 total cpu time spent up to now is 183.2 secs Computing kpt #: 128 total cpu time spent up to now is 184.8 secs Computing kpt #: 129 total cpu time spent up to now is 186.4 secs Computing kpt #: 130 total cpu time spent up to now is 187.8 secs Computing kpt #: 131 total cpu time spent up to now is 189.4 secs Computing kpt #: 132 total cpu time spent up to now is 191.0 secs Computing kpt #: 133 total cpu time spent up to now is 192.6 secs Computing kpt #: 134 total cpu time spent up to now is 194.0 secs Computing kpt #: 135 total cpu time spent up to now is 195.6 secs Computing kpt #: 136 total cpu time spent up to now is 197.1 secs Computing kpt #: 137 total cpu time spent up to now is 198.7 secs Computing kpt #: 138 total cpu time spent up to now is 200.2 secs Computing kpt #: 139 total cpu time spent up to now is 201.7 secs Computing kpt #: 140 total cpu time spent up to now is 203.2 secs Computing kpt #: 141 total cpu time spent up to now is 204.6 secs Computing kpt #: 142 total cpu time spent up to now is 206.0 secs Computing kpt #: 143 total cpu time spent up to now is 207.5 secs Computing kpt #: 144 total cpu time spent up to now is 209.0 secs Computing kpt #: 145 total cpu time spent up to now is 210.4 secs Computing kpt #: 146 total cpu time spent up to now is 211.7 secs Computing kpt #: 147 total cpu time spent up to now is 213.1 secs Computing kpt #: 148 total cpu time spent up to now is 214.5 secs Computing kpt #: 149 total cpu time spent up to now is 215.9 secs Computing kpt #: 150 total cpu time spent up to now is 217.2 secs Computing kpt #: 151 total cpu time spent up to now is 218.6 secs Computing kpt #: 152 total cpu time spent up to now is 220.0 secs Computing kpt #: 153 total cpu time spent up to now is 221.4 secs Computing kpt #: 154 total cpu time spent up to now is 222.7 secs Computing kpt #: 155 total cpu time spent up to now is 224.1 secs Computing kpt #: 156 total cpu time spent up to now is 225.5 secs Computing kpt #: 157 total cpu time spent up to now is 226.8 secs Computing kpt #: 158 total cpu time spent up to now is 228.2 secs Computing kpt #: 159 total cpu time spent up to now is 229.5 secs Computing kpt #: 160 total cpu time spent up to now is 230.9 secs Computing kpt #: 161 total cpu time spent up to now is 232.3 secs Computing kpt #: 162 total cpu time spent up to now is 233.6 secs Computing kpt #: 163 total cpu time spent up to now is 235.0 secs Computing kpt #: 164 total cpu time spent up to now is 236.4 secs Computing kpt #: 165 total cpu time spent up to now is 237.8 secs Computing kpt #: 166 total cpu time spent up to now is 239.2 secs Computing kpt #: 167 total cpu time spent up to now is 240.6 secs Computing kpt #: 168 total cpu time spent up to now is 242.0 secs Computing kpt #: 169 total cpu time spent up to now is 243.4 secs Computing kpt #: 170 total cpu time spent up to now is 244.9 secs Computing kpt #: 171 total cpu time spent up to now is 246.3 secs Computing kpt #: 172 total cpu time spent up to now is 247.7 secs Computing kpt #: 173 total cpu time spent up to now is 249.1 secs Computing kpt #: 174 total cpu time spent up to now is 250.5 secs Computing kpt #: 175 total cpu time spent up to now is 251.9 secs Computing kpt #: 176 total cpu time spent up to now is 253.3 secs Computing kpt #: 177 total cpu time spent up to now is 254.7 secs Computing kpt #: 178 total cpu time spent up to now is 256.3 secs Computing kpt #: 179 total cpu time spent up to now is 257.7 secs Computing kpt #: 180 total cpu time spent up to now is 259.3 secs Computing kpt #: 181 total cpu time spent up to now is 260.7 secs Computing kpt #: 182 total cpu time spent up to now is 262.3 secs Computing kpt #: 183 total cpu time spent up to now is 263.7 secs Computing kpt #: 184 total cpu time spent up to now is 265.1 secs Computing kpt #: 185 total cpu time spent up to now is 266.5 secs Computing kpt #: 186 total cpu time spent up to now is 268.1 secs Computing kpt #: 187 total cpu time spent up to now is 269.5 secs Computing kpt #: 188 total cpu time spent up to now is 271.0 secs Computing kpt #: 189 total cpu time spent up to now is 272.4 secs Computing kpt #: 190 total cpu time spent up to now is 273.9 secs Computing kpt #: 191 total cpu time spent up to now is 275.3 secs Computing kpt #: 192 total cpu time spent up to now is 276.7 secs Computing kpt #: 193 total cpu time spent up to now is 278.1 secs Computing kpt #: 194 total cpu time spent up to now is 279.5 secs Computing kpt #: 195 total cpu time spent up to now is 280.9 secs Computing kpt #: 196 total cpu time spent up to now is 282.3 secs Computing kpt #: 197 total cpu time spent up to now is 283.8 secs Computing kpt #: 198 total cpu time spent up to now is 285.3 secs Computing kpt #: 199 total cpu time spent up to now is 286.8 secs Computing kpt #: 200 total cpu time spent up to now is 288.2 secs Computing kpt #: 201 total cpu time spent up to now is 289.7 secs Computing kpt #: 202 total cpu time spent up to now is 291.1 secs Computing kpt #: 203 total cpu time spent up to now is 292.5 secs Computing kpt #: 204 total cpu time spent up to now is 293.9 secs Computing kpt #: 205 total cpu time spent up to now is 295.3 secs Computing kpt #: 206 total cpu time spent up to now is 296.6 secs Computing kpt #: 207 total cpu time spent up to now is 298.0 secs Computing kpt #: 208 total cpu time spent up to now is 299.4 secs Computing kpt #: 209 total cpu time spent up to now is 300.7 secs Computing kpt #: 210 total cpu time spent up to now is 302.0 secs Computing kpt #: 211 total cpu time spent up to now is 303.4 secs Computing kpt #: 212 total cpu time spent up to now is 304.7 secs Computing kpt #: 213 total cpu time spent up to now is 306.0 secs Computing kpt #: 214 total cpu time spent up to now is 307.3 secs Computing kpt #: 215 total cpu time spent up to now is 308.5 secs Computing kpt #: 216 total cpu time spent up to now is 309.8 secs Computing kpt #: 217 total cpu time spent up to now is 311.1 secs Computing kpt #: 218 total cpu time spent up to now is 312.4 secs Computing kpt #: 219 total cpu time spent up to now is 313.8 secs Computing kpt #: 220 total cpu time spent up to now is 315.1 secs Computing kpt #: 221 total cpu time spent up to now is 316.5 secs Computing kpt #: 222 total cpu time spent up to now is 317.9 secs Computing kpt #: 223 total cpu time spent up to now is 319.2 secs Computing kpt #: 224 total cpu time spent up to now is 320.6 secs Computing kpt #: 225 total cpu time spent up to now is 322.0 secs Computing kpt #: 226 total cpu time spent up to now is 323.3 secs Computing kpt #: 227 total cpu time spent up to now is 324.7 secs Computing kpt #: 228 total cpu time spent up to now is 326.0 secs Computing kpt #: 229 total cpu time spent up to now is 327.4 secs Computing kpt #: 230 total cpu time spent up to now is 328.8 secs Computing kpt #: 231 total cpu time spent up to now is 330.2 secs Computing kpt #: 232 total cpu time spent up to now is 331.6 secs Computing kpt #: 233 total cpu time spent up to now is 333.0 secs Computing kpt #: 234 total cpu time spent up to now is 334.3 secs Computing kpt #: 235 total cpu time spent up to now is 335.7 secs Computing kpt #: 236 total cpu time spent up to now is 337.1 secs Computing kpt #: 237 total cpu time spent up to now is 338.5 secs Computing kpt #: 238 total cpu time spent up to now is 339.9 secs Computing kpt #: 239 total cpu time spent up to now is 341.3 secs Computing kpt #: 240 total cpu time spent up to now is 342.7 secs Computing kpt #: 241 total cpu time spent up to now is 344.2 secs Computing kpt #: 242 total cpu time spent up to now is 345.6 secs Computing kpt #: 243 total cpu time spent up to now is 347.0 secs Computing kpt #: 244 total cpu time spent up to now is 348.4 secs Computing kpt #: 245 total cpu time spent up to now is 350.4 secs ethr = 1.56E-08, avg # of iterations = 19.3 total cpu time spent up to now is 350.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8777 PWs) bands (ev): -46.3809 -46.3809 -19.2215 -19.2215 -18.4546 -18.4546 -18.2888 -18.2888 -18.2815 -18.2815 -17.9915 -17.9915 -16.5061 -16.5061 -16.4749 -16.4749 -15.6809 -15.6809 -14.9778 -14.9778 -14.9544 -14.9544 -8.4400 -8.4400 -5.2807 -5.2807 -5.1797 -5.1797 -4.1513 -4.1513 -2.8449 -2.8449 -2.8177 -2.8177 -2.3202 -2.3202 -1.8928 -1.8928 -1.7965 -1.7965 -1.3883 -1.3883 -0.1269 -0.1269 -0.0140 -0.0140 0.0058 0.0058 0.3845 0.3845 0.3983 0.3983 0.6954 0.6954 0.6969 0.6969 0.7417 0.7417 1.3963 1.3963 1.4104 1.4104 1.4435 1.4435 5.1684 5.1684 9.1993 9.1993 9.9933 9.9933 10.7256 10.7256 11.0672 11.0672 11.5106 11.5106 k = 0.0152-0.0074-0.0054 ( 8780 PWs) bands (ev): -46.3809 -46.3809 -19.2213 -19.2212 -18.4559 -18.4534 -18.2910 -18.2873 -18.2813 -18.2811 -17.9923 -17.9909 -16.5066 -16.5056 -16.4750 -16.4749 -15.6821 -15.6805 -14.9780 -14.9773 -14.9543 -14.9541 -8.4399 -8.4396 -5.2844 -5.2758 -5.1835 -5.1747 -4.1534 -4.1498 -2.8633 -2.8357 -2.8277 -2.8013 -2.3248 -2.3176 -1.9044 -1.8797 -1.8072 -1.7844 -1.3887 -1.3878 -0.1275 -0.1262 -0.0162 -0.0115 0.0037 0.0081 0.3833 0.3843 0.3974 0.3978 0.6899 0.6912 0.7000 0.7017 0.7415 0.7432 1.3953 1.3966 1.4096 1.4104 1.4435 1.4442 5.1705 5.1711 9.1954 9.2013 9.9875 10.0007 10.7156 10.7330 11.0523 11.0748 11.5081 11.5130 k = 0.0303-0.0148-0.0108 ( 8787 PWs) bands (ev): -46.3809 -46.3809 -19.2208 -19.2207 -18.4573 -18.4522 -18.2936 -18.2869 -18.2808 -18.2798 -17.9934 -17.9905 -16.5072 -16.5051 -16.4750 -16.4748 -15.6839 -15.6807 -14.9779 -14.9765 -14.9539 -14.9536 -8.4392 -8.4388 -5.2869 -5.2697 -5.1859 -5.1684 -4.1559 -4.1487 -2.8831 -2.8549 -2.8121 -2.7863 -2.3310 -2.3169 -1.9144 -1.8655 -1.8159 -1.7709 -1.3889 -1.3871 -0.1277 -0.1253 -0.0183 -0.0090 0.0020 0.0109 0.3806 0.3827 0.3950 0.3959 0.6835 0.6847 0.7034 0.7054 0.7427 0.7459 1.3934 1.3960 1.4084 1.4098 1.4443 1.4455 5.1773 5.1785 9.1896 9.2012 9.9833 10.0094 10.7035 10.7372 11.0320 11.0742 11.5052 11.5134 k = 0.0455-0.0222-0.0162 ( 8799 PWs) bands (ev): -46.3809 -46.3809 -19.2199 -19.2197 -18.4586 -18.4511 -18.2965 -18.2873 -18.2801 -18.2779 -17.9947 -17.9904 -16.5079 -16.5049 -16.4750 -16.4747 -15.6864 -15.6817 -14.9776 -14.9755 -14.9532 -14.9527 -8.4381 -8.4374 -5.2882 -5.2626 -5.1870 -5.1609 -4.1589 -4.1482 -2.9043 -2.8757 -2.7976 -2.7727 -2.3385 -2.3182 -1.9229 -1.8533 -1.8202 -1.7559 -1.3889 -1.3862 -0.1278 -0.1242 -0.0203 -0.0073 0.0018 0.0140 0.3763 0.3794 0.3916 0.3929 0.6765 0.6777 0.7056 0.7077 0.7452 0.7495 1.3903 1.3941 1.4073 1.4092 1.4457 1.4472 5.1888 5.1905 9.1821 9.1991 9.9807 10.0194 10.6895 10.7378 11.0084 11.0654 11.5016 11.5121 k = 0.0606-0.0295-0.0216 ( 8799 PWs) bands (ev): -46.3809 -46.3809 -19.2186 -19.2184 -18.4600 -18.4500 -18.2994 -18.2879 -18.2794 -18.2758 -17.9963 -17.9906 -16.5089 -16.5048 -16.4747 -16.4742 -15.6895 -15.6833 -14.9770 -14.9744 -14.9521 -14.9514 -8.4365 -8.4356 -5.2883 -5.2545 -5.1867 -5.1522 -4.1623 -4.1481 -2.9269 -2.8981 -2.7844 -2.7603 -2.3471 -2.3213 -1.9302 -1.8503 -1.8128 -1.7393 -1.3887 -1.3852 -0.1277 -0.1231 -0.0225 -0.0078 0.0042 0.0178 0.3704 0.3744 0.3873 0.3890 0.6688 0.6703 0.7067 0.7090 0.7487 0.7538 1.3861 1.3905 1.4070 1.4091 1.4473 1.4490 5.2048 5.2070 9.1731 9.1950 9.9796 10.0304 10.6742 10.7340 10.9837 11.0496 11.4971 11.5102 k = 0.0758-0.0369-0.0270 ( 8810 PWs) bands (ev): -46.3809 -46.3809 -19.2170 -19.2168 -18.4615 -18.4490 -18.3025 -18.2888 -18.2788 -18.2737 -17.9980 -17.9909 -16.5104 -16.5052 -16.4742 -16.4733 -15.6931 -15.6855 -14.9763 -14.9734 -14.9505 -14.9496 -8.4344 -8.4333 -5.2872 -5.2456 -5.1848 -5.1422 -4.1661 -4.1486 -2.9509 -2.9220 -2.7723 -2.7491 -2.3562 -2.3258 -1.9367 -1.8556 -1.7950 -1.7212 -1.3884 -1.3842 -0.1276 -0.1219 -0.0249 -0.0100 0.0087 0.0223 0.3628 0.3675 0.3825 0.3845 0.6605 0.6625 0.7070 0.7093 0.7528 0.7585 1.3808 1.3855 1.4075 1.4095 1.4491 1.4508 5.2251 5.2278 9.1628 9.1891 9.9799 10.0420 10.6577 10.7255 10.9595 11.0281 11.4919 11.5078 k = 0.0909-0.0443-0.0324 ( 8811 PWs) bands (ev): -46.3809 -46.3809 -19.2151 -19.2148 -18.4629 -18.4481 -18.3057 -18.2898 -18.2780 -18.2715 -18.0000 -17.9915 -16.5124 -16.5062 -16.4732 -16.4718 -15.6973 -15.6884 -14.9756 -14.9725 -14.9485 -14.9472 -8.4318 -8.4306 -5.2851 -5.2363 -5.1810 -5.1310 -4.1703 -4.1496 -2.9763 -2.9474 -2.7614 -2.7391 -2.3657 -2.3315 -1.9427 -1.8633 -1.7732 -1.7015 -1.3880 -1.3831 -0.1274 -0.1209 -0.0276 -0.0128 0.0144 0.0275 0.3538 0.3590 0.3772 0.3795 0.6517 0.6543 0.7066 0.7090 0.7573 0.7632 1.3748 1.3797 1.4086 1.4104 1.4509 1.4524 5.2495 5.2527 9.1514 9.1814 9.9814 10.0540 10.6403 10.7121 10.9367 11.0027 11.4861 11.5050 k = 0.1061-0.0517-0.0377 ( 8809 PWs) bands (ev): -46.3809 -46.3809 -19.2128 -19.2125 -18.4644 -18.4472 -18.3089 -18.2908 -18.2773 -18.2695 -18.0021 -17.9924 -16.5149 -16.5078 -16.4716 -16.4697 -15.7020 -15.6919 -14.9749 -14.9718 -14.9459 -14.9441 -8.4288 -8.4274 -5.2818 -5.2268 -5.1751 -5.1186 -4.1749 -4.1510 -3.0031 -2.9743 -2.7517 -2.7303 -2.3750 -2.3381 -1.9484 -1.8716 -1.7493 -1.6805 -1.3876 -1.3821 -0.1274 -0.1202 -0.0305 -0.0161 0.0209 0.0335 0.3438 0.3493 0.3714 0.3738 0.6425 0.6458 0.7057 0.7082 0.7617 0.7677 1.3684 1.3732 1.4100 1.4117 1.4526 1.4540 5.2776 5.2812 9.1392 9.1722 9.9838 10.0658 10.6225 10.6944 10.9153 10.9748 11.4798 11.5019 k = 0.1212-0.0591-0.0431 ( 8805 PWs) bands (ev): -46.3809 -46.3809 -19.2103 -19.2098 -18.4659 -18.4464 -18.3121 -18.2920 -18.2766 -18.2675 -18.0044 -17.9934 -16.5181 -16.5102 -16.4694 -16.4669 -15.7072 -15.6960 -14.9743 -14.9714 -14.9427 -14.9404 -8.4254 -8.4238 -5.2776 -5.2176 -5.1668 -5.1050 -4.1798 -4.1530 -3.0311 -3.0025 -2.7430 -2.7225 -2.3841 -2.3451 -1.9540 -1.8800 -1.7241 -1.6583 -1.3871 -1.3812 -0.1277 -0.1200 -0.0335 -0.0198 0.0281 0.0401 0.3330 0.3387 0.3650 0.3676 0.6330 0.6368 0.7045 0.7072 0.7659 0.7719 1.3616 1.3664 1.4118 1.4134 1.4542 1.4554 5.3091 5.3132 9.1264 9.1617 9.9869 10.0770 10.6045 10.6734 10.8942 10.9461 11.4734 11.4986 k = 0.1364-0.0665-0.0485 ( 8803 PWs) bands (ev): -46.3809 -46.3809 -19.2074 -19.2069 -18.4674 -18.4458 -18.3154 -18.2931 -18.2758 -18.2656 -18.0068 -17.9946 -16.5218 -16.5133 -16.4665 -16.4634 -15.7127 -15.7005 -14.9739 -14.9712 -14.9391 -14.9362 -8.4216 -8.4198 -5.2724 -5.2090 -5.1560 -5.0903 -4.1850 -4.1554 -3.0604 -3.0320 -2.7354 -2.7157 -2.3926 -2.3523 -1.9595 -1.8883 -1.6981 -1.6352 -1.3865 -1.3804 -0.1286 -0.1206 -0.0363 -0.0235 0.0358 0.0473 0.3217 0.3277 0.3580 0.3608 0.6231 0.6275 0.7031 0.7059 0.7696 0.7755 1.3548 1.3595 1.4138 1.4155 1.4556 1.4566 5.3437 5.3482 9.1133 9.1503 9.9901 10.0867 10.5867 10.6505 10.8711 10.9187 11.4671 11.4953 k = 0.1515-0.0739-0.0539 ( 8799 PWs) bands (ev): -46.3809 -46.3809 -19.2043 -19.2037 -18.4689 -18.4452 -18.3186 -18.2944 -18.2751 -18.2638 -18.0094 -17.9960 -16.5260 -16.5169 -16.4630 -16.4595 -15.7186 -15.7055 -14.9737 -14.9712 -14.9350 -14.9316 -8.4175 -8.4155 -5.2663 -5.2009 -5.1427 -5.0744 -4.1905 -4.1583 -3.0908 -3.0627 -2.7289 -2.7100 -2.4003 -2.3594 -1.9650 -1.8965 -1.6717 -1.6116 -1.3859 -1.3796 -0.1306 -0.1223 -0.0387 -0.0272 0.0439 0.0551 0.3104 0.3166 0.3504 0.3536 0.6129 0.6179 0.7014 0.7045 0.7728 0.7785 1.3480 1.3527 1.4159 1.4178 1.4569 1.4577 5.3810 5.3858 9.1003 9.1383 9.9933 10.0944 10.5696 10.6271 10.8439 10.8945 11.4611 11.4921 k = 0.1667-0.0813-0.0593 ( 8794 PWs) bands (ev): -46.3809 -46.3809 -19.2009 -19.2003 -18.4704 -18.4448 -18.3219 -18.2957 -18.2744 -18.2621 -18.0120 -17.9976 -16.5307 -16.5212 -16.4591 -16.4550 -15.7247 -15.7110 -14.9736 -14.9713 -14.9304 -14.9266 -8.4130 -8.4109 -5.2593 -5.1930 -5.1274 -5.0576 -4.1962 -4.1616 -3.1221 -3.0944 -2.7233 -2.7054 -2.4072 -2.3662 -1.9705 -1.9044 -1.6454 -1.5879 -1.3850 -1.3787 -0.1340 -0.1253 -0.0405 -0.0305 0.0524 0.0632 0.2993 0.3058 0.3423 0.3459 0.6026 0.6082 0.6997 0.7030 0.7753 0.7808 1.3413 1.3459 1.4183 1.4203 1.4580 1.4588 5.4206 5.4256 9.0874 9.1259 9.9959 10.0993 10.5534 10.6044 10.8121 10.8733 11.4556 11.4892 k = 0.1818-0.0886-0.0647 ( 8800 PWs) bands (ev): -46.3809 -46.3809 -19.1973 -19.1967 -18.4719 -18.4446 -18.3250 -18.2971 -18.2736 -18.2605 -18.0147 -17.9993 -16.5357 -16.5258 -16.4546 -16.4502 -15.7311 -15.7167 -14.9736 -14.9715 -14.9256 -14.9213 -8.4082 -8.4060 -5.2515 -5.1853 -5.1103 -5.0399 -4.2021 -4.1654 -3.1544 -3.1270 -2.7188 -2.7017 -2.4131 -2.3726 -1.9759 -1.9120 -1.6196 -1.5646 -1.3836 -1.3776 -0.1394 -0.1299 -0.0415 -0.0330 0.0609 0.0716 0.2886 0.2955 0.3338 0.3379 0.5922 0.5983 0.6978 0.7013 0.7770 0.7823 1.3349 1.3393 1.4208 1.4231 1.4590 1.4599 5.4620 5.4673 9.0752 9.1137 9.9977 10.1005 10.5383 10.5837 10.7772 10.8537 11.4510 11.4867 k = 0.1970-0.0960-0.0701 ( 8806 PWs) bands (ev): -46.3809 -46.3809 -19.1935 -19.1928 -18.4734 -18.4445 -18.3281 -18.2986 -18.2729 -18.2590 -18.0174 -18.0012 -16.5409 -16.5308 -16.4498 -16.4450 -15.7376 -15.7228 -14.9738 -14.9719 -14.9204 -14.9159 -8.4032 -8.4009 -5.2430 -5.1774 -5.0918 -5.0213 -4.2081 -4.1695 -3.1874 -3.1603 -2.7153 -2.6990 -2.4180 -2.3784 -1.9811 -1.9192 -1.5952 -1.5427 -1.3813 -1.3756 -0.1471 -0.1362 -0.0420 -0.0340 0.0696 0.0800 0.2785 0.2859 0.3251 0.3297 0.5818 0.5885 0.6959 0.6995 0.7780 0.7830 1.3287 1.3331 1.4234 1.4259 1.4598 1.4609 5.5048 5.5103 9.0638 9.1018 9.9982 10.0978 10.5237 10.5662 10.7404 10.8344 11.4475 11.4848 k = 0.2121-0.1034-0.0755 ( 8809 PWs) bands (ev): -46.3809 -46.3809 -19.1895 -19.1888 -18.4749 -18.4447 -18.3311 -18.3001 -18.2721 -18.2577 -18.0201 -18.0032 -16.5464 -16.5361 -16.4447 -16.4396 -15.7443 -15.7291 -14.9740 -14.9722 -14.9151 -14.9103 -8.3980 -8.3956 -5.2339 -5.1693 -5.0723 -5.0020 -4.2141 -4.1739 -3.2210 -3.1943 -2.7127 -2.6973 -2.4218 -2.3835 -1.9860 -1.9258 -1.5729 -1.5230 -1.3775 -1.3721 -0.1569 -0.1446 -0.0419 -0.0333 0.0781 0.0884 0.2691 0.2770 0.3164 0.3216 0.5715 0.5788 0.6939 0.6977 0.7781 0.7829 1.3228 1.3271 1.4260 1.4288 1.4606 1.4620 5.5486 5.5543 9.0535 9.0907 9.9972 10.0907 10.5079 10.5535 10.7026 10.8148 11.4451 11.4837 k = 0.2273-0.1108-0.0809 ( 8807 PWs) bands (ev): -46.3809 -46.3809 -19.1854 -19.1846 -18.4763 -18.4450 -18.3338 -18.3017 -18.2713 -18.2565 -18.0228 -18.0052 -16.5520 -16.5417 -16.4393 -16.4339 -15.7510 -15.7356 -14.9743 -14.9727 -14.9097 -14.9048 -8.3926 -8.3901 -5.2241 -5.1610 -5.0519 -4.9821 -4.2200 -4.1786 -3.2550 -3.2287 -2.7110 -2.6964 -2.4247 -2.3880 -1.9904 -1.9318 -1.5538 -1.5068 -1.3714 -1.3658 -0.1689 -0.1552 -0.0410 -0.0310 0.0864 0.0967 0.2604 0.2689 0.3082 0.3138 0.5616 0.5693 0.6918 0.6958 0.7775 0.7819 1.3174 1.3215 1.4286 1.4317 1.4614 1.4632 5.5930 5.5988 9.0445 9.0807 9.9944 10.0797 10.4895 10.5463 10.6646 10.7951 11.4439 11.4834 k = 0.2424-0.1182-0.0863 ( 8810 PWs) bands (ev): -46.3809 -46.3809 -19.1812 -19.1804 -18.4777 -18.4456 -18.3364 -18.3033 -18.2705 -18.2554 -18.0254 -18.0074 -16.5576 -16.5473 -16.4337 -16.4281 -15.7577 -15.7423 -14.9747 -14.9732 -14.9042 -14.8992 -8.3871 -8.3846 -5.2139 -5.1524 -5.0308 -4.9617 -4.2258 -4.1835 -3.2894 -3.2635 -2.7101 -2.6964 -2.4265 -2.3918 -1.9943 -1.9372 -1.5390 -1.4953 -1.3625 -1.3555 -0.1826 -0.1678 -0.0392 -0.0276 0.0943 0.1045 0.2524 0.2612 0.3008 0.3068 0.5519 0.5602 0.6896 0.6937 0.7760 0.7802 1.3123 1.3163 1.4312 1.4346 1.4623 1.4644 5.6376 5.6434 9.0372 9.0721 9.9896 10.0653 10.4679 10.5430 10.6277 10.7756 11.4439 11.4840 k = 0.2576-0.1256-0.0917 ( 8802 PWs) bands (ev): -46.3809 -46.3809 -19.1769 -19.1761 -18.4791 -18.4465 -18.3387 -18.3050 -18.2697 -18.2544 -18.0280 -18.0096 -16.5633 -16.5531 -16.4279 -16.4222 -15.7643 -15.7490 -14.9751 -14.9737 -14.8988 -14.8937 -8.3815 -8.3790 -5.2032 -5.1436 -5.0093 -4.9412 -4.2314 -4.1885 -3.3238 -3.2983 -2.7099 -2.6971 -2.4275 -2.3949 -1.9975 -1.9419 -1.5292 -1.4892 -1.3499 -1.3409 -0.1978 -0.1824 -0.0363 -0.0233 0.1017 0.1118 0.2449 0.2538 0.2949 0.3008 0.5426 0.5515 0.6873 0.6916 0.7738 0.7778 1.3076 1.3114 1.4336 1.4373 1.4633 1.4657 5.6818 5.6877 9.0318 9.0652 9.9824 10.0486 10.4430 10.5389 10.5955 10.7568 11.4452 11.4855 k = 0.2727-0.1330-0.0971 ( 8800 PWs) bands (ev): -46.3809 -46.3809 -19.1726 -19.1718 -18.4804 -18.4476 -18.3407 -18.3068 -18.2689 -18.2535 -18.0304 -18.0119 -16.5689 -16.5589 -16.4221 -16.4163 -15.7709 -15.7557 -14.9755 -14.9742 -14.8934 -14.8884 -8.3760 -8.3734 -5.1921 -5.1345 -4.9876 -4.9205 -4.2366 -4.1936 -3.3581 -3.3331 -2.7104 -2.6984 -2.4276 -2.3974 -2.0000 -1.9459 -1.5245 -1.4879 -1.3337 -1.3228 -0.2142 -0.1985 -0.0325 -0.0183 0.1083 0.1182 0.2379 0.2464 0.2906 0.2963 0.5338 0.5432 0.6849 0.6893 0.7709 0.7747 1.3032 1.3068 1.4359 1.4397 1.4646 1.4672 5.7254 5.7312 9.0283 9.0602 9.9725 10.0309 10.4145 10.5226 10.5785 10.7396 11.4476 11.4880 k = 0.2879-0.1403-0.1025 ( 8808 PWs) bands (ev): -46.3809 -46.3809 -19.1683 -19.1675 -18.4816 -18.4490 -18.3425 -18.3086 -18.2680 -18.2528 -18.0327 -18.0142 -16.5744 -16.5647 -16.4162 -16.4103 -15.7772 -15.7624 -14.9759 -14.9747 -14.8881 -14.8832 -8.3704 -8.3679 -5.1807 -5.1254 -4.9658 -4.9001 -4.2413 -4.1986 -3.3921 -3.3677 -2.7115 -2.7002 -2.4271 -2.3993 -2.0017 -1.9491 -1.5243 -1.4907 -1.3143 -1.3021 -0.2316 -0.2158 -0.0279 -0.0128 0.1139 0.1235 0.2314 0.2394 0.2879 0.2935 0.5255 0.5353 0.6823 0.6869 0.7672 0.7709 1.2992 1.3026 1.4379 1.4418 1.4660 1.4688 5.7680 5.7737 9.0270 9.0574 9.9596 10.0137 10.3820 10.4916 10.5782 10.7243 11.4511 11.4913 k = 0.3030-0.1477-0.1078 ( 8811 PWs) bands (ev): -46.3809 -46.3809 -19.1640 -19.1632 -18.4827 -18.4506 -18.3439 -18.3105 -18.2672 -18.2522 -18.0348 -18.0166 -16.5797 -16.5703 -16.4104 -16.4045 -15.7834 -15.7691 -14.9764 -14.9752 -14.8830 -14.8783 -8.3650 -8.3625 -5.1691 -5.1163 -4.9442 -4.8800 -4.2454 -4.2034 -3.4257 -3.4019 -2.7131 -2.7025 -2.4261 -2.4006 -2.0024 -1.9515 -1.5278 -1.4966 -1.2928 -1.2799 -0.2494 -0.2340 -0.0227 -0.0069 0.1181 0.1272 0.2258 0.2332 0.2869 0.2925 0.5177 0.5280 0.6796 0.6843 0.7631 0.7667 1.2955 1.2987 1.4397 1.4435 1.4678 1.4707 5.8091 5.8146 9.0281 9.0570 9.9433 9.9979 10.3459 10.4554 10.5842 10.7114 11.4556 11.4953 k = 0.3182-0.1551-0.1132 ( 8809 PWs) bands (ev): -46.3809 -46.3809 -19.1599 -19.1591 -18.4837 -18.4524 -18.3450 -18.3124 -18.2663 -18.2518 -18.0368 -18.0189 -16.5848 -16.5758 -16.4046 -16.3988 -15.7894 -15.7755 -14.9768 -14.9758 -14.8781 -14.8736 -8.3596 -8.3572 -5.1574 -5.1072 -4.9230 -4.8606 -4.2488 -4.2080 -3.4585 -3.4354 -2.7150 -2.7051 -2.4246 -2.4015 -2.0023 -1.9532 -1.5340 -1.5048 -1.2700 -1.2571 -0.2676 -0.2526 -0.0170 -0.0008 0.1206 0.1291 0.2215 0.2283 0.2871 0.2930 0.5104 0.5211 0.6768 0.6816 0.7585 0.7620 1.2921 1.2952 1.4412 1.4449 1.4698 1.4726 5.8485 5.8538 9.0314 9.0589 9.9243 9.9841 10.3067 10.4176 10.5922 10.7008 11.4609 11.4999 k = 0.3333-0.1625-0.1186 ( 8810 PWs) bands (ev): -46.3809 -46.3809 -19.1559 -19.1550 -18.4845 -18.4545 -18.3457 -18.3144 -18.2654 -18.2515 -18.0385 -18.0213 -16.5896 -16.5812 -16.3990 -16.3934 -15.7950 -15.7818 -14.9772 -14.9763 -14.8734 -14.8691 -8.3545 -8.3522 -5.1457 -5.0983 -4.9023 -4.8421 -4.2514 -4.2121 -3.4904 -3.4682 -2.7172 -2.7080 -2.4227 -2.4021 -2.0012 -1.9541 -1.5421 -1.5146 -1.2467 -1.2342 -0.2857 -0.2715 -0.0109 0.0054 0.1210 0.1287 0.2191 0.2255 0.2884 0.2948 0.5036 0.5146 0.6738 0.6787 0.7536 0.7571 1.2890 1.2918 1.4424 1.4459 1.4720 1.4747 5.8858 5.8908 9.0370 9.0633 9.9036 9.9718 10.2652 10.3791 10.6007 10.6925 11.4670 11.5049 k = 0.3485-0.1699-0.1240 ( 8808 PWs) bands (ev): -46.3809 -46.3809 -19.1520 -19.1512 -18.4852 -18.4568 -18.3462 -18.3164 -18.2645 -18.2513 -18.0400 -18.0236 -16.5942 -16.5863 -16.3935 -16.3882 -15.8002 -15.7879 -14.9776 -14.9767 -14.8690 -14.8650 -8.3496 -8.3474 -5.1341 -5.0898 -4.8824 -4.8249 -4.2530 -4.2158 -3.5212 -3.4999 -2.7195 -2.7110 -2.4207 -2.4023 -1.9992 -1.9544 -1.5516 -1.5257 -1.2236 -1.2118 -0.3036 -0.2902 -0.0046 0.0116 0.1192 0.1263 0.2188 0.2250 0.2905 0.2974 0.4974 0.5086 0.6706 0.6756 0.7485 0.7520 1.2862 1.2888 1.4435 1.4466 1.4744 1.4769 5.9207 5.9254 9.0447 9.0700 9.8823 9.9605 10.2227 10.3402 10.6092 10.6861 11.4737 11.5100 k = 0.3636-0.1773-0.1294 ( 8807 PWs) bands (ev): -46.3809 -46.3809 -19.1483 -19.1476 -18.4857 -18.4592 -18.3463 -18.3184 -18.2636 -18.2512 -18.0413 -18.0259 -16.5983 -16.5911 -16.3883 -16.3833 -15.8051 -15.7937 -14.9780 -14.9772 -14.8649 -14.8613 -8.3450 -8.3429 -5.1228 -5.0817 -4.8634 -4.8090 -4.2536 -4.2189 -3.5504 -3.5304 -2.7219 -2.7140 -2.4185 -2.4024 -1.9963 -1.9542 -1.5620 -1.5375 -1.2011 -1.1903 -0.3208 -0.3084 0.0017 0.0177 0.1154 0.1220 0.2204 0.2265 0.2932 0.3006 0.4917 0.5030 0.6673 0.6722 0.7435 0.7469 1.2837 1.2861 1.4443 1.4471 1.4768 1.4790 5.9530 5.9573 9.0545 9.0788 9.8613 9.9498 10.1801 10.3013 10.6171 10.6812 11.4808 11.5152 k = 0.3788-0.1847-0.1348 ( 8813 PWs) bands (ev): -46.3809 -46.3809 -19.1450 -19.1442 -18.4861 -18.4618 -18.3461 -18.3205 -18.2627 -18.2513 -18.0423 -18.0281 -16.6021 -16.5955 -16.3835 -16.3788 -15.8095 -15.7991 -14.9784 -14.9776 -14.8612 -14.8579 -8.3407 -8.3388 -5.1118 -5.0742 -4.8456 -4.7949 -4.2532 -4.2214 -3.5780 -3.5592 -2.7242 -2.7171 -2.4163 -2.4023 -1.9926 -1.9535 -1.5727 -1.5498 -1.1796 -1.1699 -0.3372 -0.3259 0.0079 0.0234 0.1103 0.1166 0.2237 0.2297 0.2963 0.3041 0.4865 0.4978 0.6638 0.6687 0.7386 0.7420 1.2814 1.2836 1.4450 1.4474 1.4791 1.4811 5.9824 5.9864 9.0661 9.0895 9.8413 9.9392 10.1389 10.2629 10.6244 10.6775 11.4882 11.5202 k = 0.3939-0.1921-0.1402 ( 8807 PWs) bands (ev): -46.3809 -46.3809 -19.1418 -19.1412 -18.4862 -18.4644 -18.3456 -18.3226 -18.2618 -18.2515 -18.0431 -18.0302 -16.6055 -16.5996 -16.3790 -16.3747 -15.8135 -15.8041 -14.9787 -14.9780 -14.8578 -14.8549 -8.3368 -8.3351 -5.1012 -5.0675 -4.8291 -4.7827 -4.2518 -4.2233 -3.6034 -3.5862 -2.7263 -2.7200 -2.4141 -2.4021 -1.9883 -1.9525 -1.5833 -1.5622 -1.1596 -1.1509 -0.3525 -0.3423 0.0140 0.0287 0.1043 0.1105 0.2282 0.2339 0.2996 0.3076 0.4820 0.4929 0.6604 0.6651 0.7341 0.7373 1.2795 1.2813 1.4456 1.4477 1.4813 1.4830 6.0088 6.0124 9.0790 9.1015 9.8230 9.9280 10.1006 10.2256 10.6310 10.6746 11.4958 11.5249 k = 0.4091-0.1994-0.1456 ( 8810 PWs) bands (ev): -46.3809 -46.3809 -19.1391 -19.1385 -18.4861 -18.4669 -18.3449 -18.3247 -18.2608 -18.2518 -18.0436 -18.0322 -16.6084 -16.6033 -16.3749 -16.3711 -15.8168 -15.8086 -14.9789 -14.9784 -14.8548 -14.8522 -8.3333 -8.3318 -5.0914 -5.0617 -4.8140 -4.7726 -4.2496 -4.2247 -3.6264 -3.6110 -2.7283 -2.7228 -2.4120 -2.4019 -1.9834 -1.9514 -1.5933 -1.5742 -1.1412 -1.1338 -0.3664 -0.3575 0.0197 0.0334 0.0982 0.1043 0.2334 0.2386 0.3029 0.3109 0.4780 0.4884 0.6569 0.6613 0.7301 0.7331 1.2778 1.2794 1.4460 1.4478 1.4833 1.4848 6.0320 6.0351 9.0929 9.1142 9.8069 9.9148 10.0676 10.1899 10.6369 10.6722 11.5032 11.5290 k = 0.4242-0.2068-0.1510 ( 8812 PWs) bands (ev): -46.3809 -46.3809 -19.1366 -19.1361 -18.4858 -18.4695 -18.3440 -18.3268 -18.2599 -18.2522 -18.0438 -18.0341 -16.6109 -16.6065 -16.3713 -16.3680 -15.8197 -15.8127 -14.9792 -14.9787 -14.8522 -14.8500 -8.3302 -8.3290 -5.0823 -5.0570 -4.8004 -4.7647 -4.2466 -4.2256 -3.6465 -3.6332 -2.7300 -2.7253 -2.4100 -2.4018 -1.9782 -1.9505 -1.6024 -1.5856 -1.1250 -1.1188 -0.3786 -0.3710 0.0250 0.0375 0.0924 0.0983 0.2387 0.2434 0.3062 0.3139 0.4747 0.4842 0.6537 0.6576 0.7266 0.7293 1.2763 1.2777 1.4464 1.4479 1.4852 1.4863 6.0519 6.0545 9.1072 9.1268 9.7937 9.8985 10.0420 10.1563 10.6420 10.6701 11.5103 11.5325 k = 0.4394-0.2142-0.1564 ( 8804 PWs) bands (ev): -46.3809 -46.3809 -19.1346 -19.1342 -18.4852 -18.4720 -18.3428 -18.3288 -18.2590 -18.2527 -18.0438 -18.0359 -16.6128 -16.6093 -16.3682 -16.3655 -15.8219 -15.8162 -14.9793 -14.9790 -14.8500 -14.8483 -8.3277 -8.3266 -5.0740 -5.0535 -4.7884 -4.7590 -4.2432 -4.2262 -3.6634 -3.6524 -2.7313 -2.7275 -2.4082 -2.4018 -1.9729 -1.9499 -1.6101 -1.5960 -1.1110 -1.1061 -0.3888 -0.3827 0.0299 0.0408 0.0873 0.0928 0.2438 0.2478 0.3093 0.3163 0.4721 0.4803 0.6508 0.6542 0.7238 0.7261 1.2752 1.2763 1.4467 1.4479 1.4867 1.4877 6.0684 6.0705 9.1211 9.1384 9.7842 9.8783 10.0256 10.1253 10.6466 10.6682 11.5169 11.5350 k = 0.4545-0.2216-0.1618 ( 8811 PWs) bands (ev): -46.3809 -46.3809 -19.1330 -19.1327 -18.4844 -18.4743 -18.3415 -18.3308 -18.2581 -18.2533 -18.0436 -18.0376 -16.6142 -16.6116 -16.3657 -16.3636 -15.8235 -15.8192 -14.9795 -14.9792 -14.8483 -14.8469 -8.3256 -8.3248 -5.0669 -5.0512 -4.7781 -4.7556 -4.2396 -4.2269 -3.6768 -3.6682 -2.7323 -2.7294 -2.4067 -2.4019 -1.9676 -1.9499 -1.6160 -1.6050 -1.0998 -1.0961 -0.3969 -0.3923 0.0342 0.0431 0.0832 0.0881 0.2484 0.2514 0.3122 0.3180 0.4703 0.4769 0.6484 0.6511 0.7217 0.7235 1.2743 1.2751 1.4470 1.4478 1.4880 1.4887 6.0813 6.0829 9.1339 9.1481 9.7791 9.8556 10.0182 10.0974 10.6505 10.6663 11.5228 11.5367 k = 0.4697-0.2290-0.1672 ( 8810 PWs) bands (ev): -46.3809 -46.3809 -19.1318 -19.1316 -18.4833 -18.4765 -18.3400 -18.3328 -18.2572 -18.2540 -18.0431 -18.0391 -16.6151 -16.6133 -16.3637 -16.3624 -15.8244 -15.8215 -14.9795 -14.9794 -14.8469 -14.8460 -8.3241 -8.3236 -5.0609 -5.0503 -4.7696 -4.7543 -4.2362 -4.2277 -3.6861 -3.6803 -2.7329 -2.7310 -2.4053 -2.4021 -1.9628 -1.9507 -1.6199 -1.6124 -1.0913 -1.0889 -0.4026 -0.3995 0.0378 0.0443 0.0805 0.0842 0.2520 0.2541 0.3147 0.3189 0.4694 0.4740 0.6467 0.6486 0.7203 0.7216 1.2737 1.2743 1.4472 1.4478 1.4889 1.4894 6.0906 6.0917 9.1448 9.1549 9.7791 9.8328 10.0184 10.0731 10.6540 10.6643 11.5278 11.5372 k = 0.4848-0.2364-0.1726 ( 8812 PWs) bands (ev): -46.3809 -46.3809 -19.1310 -19.1309 -18.4819 -18.4786 -18.3384 -18.3348 -18.2563 -18.2547 -18.0424 -18.0404 -16.6155 -16.6146 -16.3624 -16.3617 -15.8247 -15.8232 -14.9796 -14.9795 -14.8460 -14.8456 -8.3231 -8.3229 -5.0562 -5.0508 -4.7629 -4.7552 -4.2332 -4.2289 -3.6912 -3.6883 -2.7331 -2.7321 -2.4042 -2.4026 -1.9585 -1.9523 -1.6215 -1.6177 -1.0859 -1.0847 -0.4058 -0.4043 0.0409 0.0443 0.0793 0.0813 0.2545 0.2556 0.3168 0.3190 0.4693 0.4717 0.6458 0.6468 0.7196 0.7203 1.2734 1.2737 1.4474 1.4477 1.4895 1.4898 6.0964 6.0969 9.1528 9.1581 9.7847 9.8123 10.0248 10.0527 10.6571 10.6622 11.5319 11.5366 k = 0.5000-0.2438-0.1779 ( 8798 PWs) bands (ev): -46.3809 -46.3809 -19.1308 -19.1308 -18.4804 -18.4804 -18.3366 -18.3366 -18.2555 -18.2555 -18.0415 -18.0415 -16.6153 -16.6153 -16.3617 -16.3617 -15.8243 -15.8243 -14.9796 -14.9796 -14.8456 -14.8456 -8.3227 -8.3227 -5.0528 -5.0528 -4.7581 -4.7581 -4.2307 -4.2307 -3.6920 -3.6920 -2.7328 -2.7328 -2.4032 -2.4032 -1.9549 -1.9549 -1.6208 -1.6208 -1.0837 -1.0837 -0.4064 -0.4064 0.0431 0.0431 0.0797 0.0797 0.2557 0.2557 0.3183 0.3183 0.4701 0.4701 0.6459 0.6459 0.7196 0.7196 1.2734 1.2734 1.4476 1.4476 1.4898 1.4898 6.0985 6.0985 9.1574 9.1574 9.7959 9.7959 10.0364 10.0364 10.6598 10.6598 11.5348 11.5348 k = 0.5000-0.2438-0.1779 ( 8798 PWs) bands (ev): -46.3809 -46.3809 -19.1308 -19.1308 -18.4804 -18.4804 -18.3366 -18.3366 -18.2555 -18.2555 -18.0415 -18.0415 -16.6153 -16.6153 -16.3617 -16.3617 -15.8243 -15.8243 -14.9796 -14.9796 -14.8456 -14.8456 -8.3227 -8.3227 -5.0528 -5.0528 -4.7581 -4.7581 -4.2307 -4.2307 -3.6920 -3.6920 -2.7328 -2.7328 -2.4032 -2.4032 -1.9549 -1.9549 -1.6208 -1.6208 -1.0837 -1.0837 -0.4064 -0.4064 0.0431 0.0431 0.0797 0.0797 0.2557 0.2557 0.3183 0.3183 0.4701 0.4701 0.6459 0.6459 0.7196 0.7196 1.2734 1.2734 1.4476 1.4476 1.4898 1.4898 6.0985 6.0985 9.1574 9.1574 9.7959 9.7959 10.0364 10.0364 10.6598 10.6598 11.5348 11.5348 k = 0.5000-0.2332-0.1925 ( 8806 PWs) bands (ev): -46.3809 -46.3809 -19.1307 -19.1307 -18.4826 -18.4781 -18.3407 -18.3325 -18.2564 -18.2547 -18.0426 -18.0402 -16.6169 -16.6140 -16.3633 -16.3603 -15.8254 -15.8239 -14.9797 -14.9790 -14.8456 -14.8453 -8.3225 -8.3223 -5.0569 -5.0486 -4.7632 -4.7529 -4.2326 -4.2297 -3.6922 -3.6901 -2.7334 -2.7329 -2.4065 -2.4024 -1.9543 -1.9521 -1.6235 -1.6198 -1.0841 -1.0824 -0.4071 -0.4056 0.0402 0.0451 0.0760 0.0799 0.2523 0.2575 0.3188 0.3209 0.4698 0.4715 0.6451 0.6458 0.7193 0.7203 1.2733 1.2740 1.4471 1.4478 1.4896 1.4904 6.0988 6.0992 9.1551 9.1601 9.7827 9.7958 10.0384 10.0499 10.6592 10.6607 11.5298 11.5362 k = 0.5000-0.2226-0.2070 ( 8822 PWs) bands (ev): -46.3809 -46.3809 -19.1306 -19.1304 -18.4848 -18.4758 -18.3450 -18.3285 -18.2573 -18.2539 -18.0436 -18.0387 -16.6188 -16.6131 -16.3648 -16.3590 -15.8272 -15.8242 -14.9795 -14.9779 -14.8452 -14.8448 -8.3217 -8.3211 -5.0609 -5.0444 -4.7685 -4.7479 -4.2351 -4.2294 -3.6909 -3.6868 -2.7350 -2.7340 -2.4120 -2.4039 -1.9502 -1.9459 -1.6278 -1.6206 -1.0835 -1.0803 -0.4077 -0.4048 0.0362 0.0461 0.0694 0.0771 0.2476 0.2575 0.3224 0.3263 0.4707 0.4740 0.6435 0.6448 0.7194 0.7213 1.2734 1.2749 1.4463 1.4477 1.4896 1.4912 6.1001 6.1009 9.1530 9.1631 9.7596 9.7832 10.0551 10.0752 10.6591 10.6621 11.5214 11.5338 k = 0.5000-0.2120-0.2215 ( 8824 PWs) bands (ev): -46.3809 -46.3809 -19.1303 -19.1300 -18.4869 -18.4734 -18.3492 -18.3246 -18.2583 -18.2532 -18.0443 -18.0371 -16.6209 -16.6124 -16.3664 -16.3577 -15.8297 -15.8252 -14.9788 -14.9765 -14.8446 -14.8439 -8.3202 -8.3194 -5.0648 -5.0402 -4.7737 -4.7430 -4.2383 -4.2300 -3.6880 -3.6820 -2.7373 -2.7358 -2.4196 -2.4077 -1.9428 -1.9366 -1.6336 -1.6230 -1.0821 -1.0774 -0.4082 -0.4040 0.0309 0.0450 0.0613 0.0721 0.2423 0.2562 0.3282 0.3335 0.4728 0.4775 0.6412 0.6432 0.7198 0.7224 1.2740 1.2762 1.4454 1.4474 1.4900 1.4922 6.1024 6.1036 9.1512 9.1665 9.7309 9.7623 10.0822 10.1080 10.6596 10.6640 11.5098 11.5279 k = 0.5000-0.2014-0.2360 ( 8820 PWs) bands (ev): -46.3809 -46.3809 -19.1298 -19.1296 -18.4889 -18.4710 -18.3533 -18.3208 -18.2593 -18.2525 -18.0449 -18.0354 -16.6233 -16.6121 -16.3681 -16.3566 -15.8329 -15.8270 -14.9776 -14.9746 -14.8437 -14.8428 -8.3180 -8.3169 -5.0686 -5.0361 -4.7789 -4.7382 -4.2419 -4.2314 -3.6835 -3.6757 -2.7404 -2.7384 -2.4291 -2.4137 -1.9324 -1.9244 -1.6406 -1.6268 -1.0798 -1.0738 -0.4087 -0.4031 0.0239 0.0387 0.0550 0.0659 0.2367 0.2541 0.3353 0.3417 0.4760 0.4820 0.6386 0.6409 0.7204 0.7238 1.2749 1.2778 1.4443 1.4469 1.4906 1.4934 6.1056 6.1073 9.1495 9.1703 9.6994 9.7372 10.1154 10.1450 10.6607 10.6666 11.4955 11.5188 k = 0.5000-0.1908-0.2505 ( 8830 PWs) bands (ev): -46.3809 -46.3809 -19.1293 -19.1290 -18.4908 -18.4686 -18.3574 -18.3172 -18.2604 -18.2518 -18.0452 -18.0335 -16.6258 -16.6121 -16.3698 -16.3557 -15.8368 -15.8295 -14.9760 -14.9723 -14.8425 -14.8414 -8.3151 -8.3138 -5.0723 -5.0320 -4.7842 -4.7337 -4.2459 -4.2335 -3.6775 -3.6683 -2.7444 -2.7419 -2.4402 -2.4216 -1.9194 -1.9100 -1.6484 -1.6317 -1.0769 -1.0696 -0.4092 -0.4022 0.0146 0.0266 0.0517 0.0595 0.2312 0.2515 0.3428 0.3500 0.4803 0.4872 0.6357 0.6384 0.7212 0.7251 1.2760 1.2797 1.4431 1.4462 1.4914 1.4947 6.1098 6.1118 9.1479 9.1745 9.6670 9.7106 10.1516 10.1841 10.6629 10.6701 11.4789 11.5068 k = 0.5000-0.1802-0.2650 ( 8830 PWs) bands (ev): -46.3809 -46.3809 -19.1287 -19.1283 -18.4926 -18.4662 -18.3614 -18.3137 -18.2614 -18.2512 -18.0453 -18.0316 -16.6285 -16.6124 -16.3715 -16.3550 -15.8413 -15.8326 -14.9740 -14.9696 -14.8411 -14.8398 -8.3117 -8.3101 -5.0759 -5.0280 -4.7895 -4.7295 -4.2500 -4.2363 -3.6700 -3.6596 -2.7491 -2.7461 -2.4528 -2.4313 -1.9043 -1.8936 -1.6564 -1.6372 -1.0734 -1.0651 -0.4097 -0.4014 0.0034 0.0119 0.0480 0.0537 0.2261 0.2489 0.3498 0.3578 0.4855 0.4932 0.6328 0.6359 0.7220 0.7264 1.2774 1.2818 1.4419 1.4454 1.4923 1.4960 6.1149 6.1173 9.1464 9.1791 9.6346 9.6842 10.1888 10.2238 10.6664 10.6751 11.4605 11.4924 k = 0.5000-0.1696-0.2795 ( 8840 PWs) bands (ev): -46.3809 -46.3809 -19.1280 -19.1275 -18.4943 -18.4638 -18.3653 -18.3103 -18.2625 -18.2507 -18.0452 -18.0295 -16.6313 -16.6129 -16.3734 -16.3545 -15.8464 -15.8365 -14.9716 -14.9665 -14.8394 -14.8379 -8.3075 -8.3057 -5.0794 -5.0243 -4.7949 -4.7258 -4.2541 -4.2395 -3.6612 -3.6499 -2.7547 -2.7510 -2.4667 -2.4427 -1.8878 -1.8757 -1.6643 -1.6429 -1.0694 -1.0603 -0.4102 -0.4006 -0.0095 -0.0039 0.0425 0.0488 0.2216 0.2464 0.3559 0.3645 0.4916 0.4999 0.6303 0.6336 0.7227 0.7275 1.2790 1.2841 1.4407 1.4446 1.4933 1.4974 6.1208 6.1236 9.1448 9.1840 9.6029 9.6588 10.2255 10.2626 10.6718 10.6820 11.4408 11.4761 k = 0.5000-0.1591-0.2940 ( 8842 PWs) bands (ev): -46.3809 -46.3809 -19.1272 -19.1267 -18.4958 -18.4615 -18.3691 -18.3071 -18.2636 -18.2501 -18.0448 -18.0274 -16.6341 -16.6136 -16.3753 -16.3544 -15.8522 -15.8410 -14.9688 -14.9631 -14.8374 -14.8358 -8.3027 -8.3006 -5.0829 -5.0208 -4.8003 -4.7225 -4.2581 -4.2430 -3.6512 -3.6391 -2.7610 -2.7567 -2.4818 -2.4557 -1.8704 -1.8570 -1.6711 -1.6482 -1.0651 -1.0553 -0.4108 -0.3999 -0.0236 -0.0197 0.0357 0.0433 0.2180 0.2442 0.3608 0.3700 0.4983 0.5070 0.6282 0.6318 0.7234 0.7285 1.2808 1.2866 1.4395 1.4438 1.4943 1.4986 6.1275 6.1306 9.1430 9.1892 9.5723 9.6350 10.2601 10.2990 10.6800 10.6916 11.4201 11.4585 k = 0.5000-0.1485-0.3085 ( 8846 PWs) bands (ev): -46.3809 -46.3809 -19.1265 -19.1258 -18.4971 -18.4592 -18.3726 -18.3041 -18.2648 -18.2496 -18.0442 -18.0253 -16.6368 -16.6145 -16.3774 -16.3545 -15.8586 -15.8462 -14.9656 -14.9593 -14.8353 -14.8334 -8.2973 -8.2949 -5.0863 -5.0176 -4.8059 -4.7199 -4.2617 -4.2467 -3.6401 -3.6276 -2.7681 -2.7630 -2.4980 -2.4701 -1.8530 -1.8381 -1.6760 -1.6523 -1.0607 -1.0504 -0.4113 -0.3993 -0.0386 -0.0350 0.0278 0.0366 0.2152 0.2423 0.3644 0.3739 0.5056 0.5145 0.6267 0.6306 0.7240 0.7293 1.2827 1.2891 1.4384 1.4430 1.4952 1.4998 6.1349 6.1382 9.1411 9.1947 9.5432 9.6132 10.2913 10.3316 10.6917 10.7050 11.3989 11.4400 k = 0.5000-0.1379-0.3230 ( 8844 PWs) bands (ev): -46.3809 -46.3809 -19.1257 -19.1250 -18.4983 -18.4569 -18.3758 -18.3012 -18.2659 -18.2492 -18.0434 -18.0231 -16.6396 -16.6155 -16.3797 -16.3551 -15.8655 -15.8520 -14.9620 -14.9552 -14.8329 -14.8309 -8.2912 -8.2886 -5.0897 -5.0149 -4.8117 -4.7181 -4.2649 -4.2502 -3.6280 -3.6152 -2.7759 -2.7700 -2.5154 -2.4860 -1.8367 -1.8197 -1.6780 -1.6543 -1.0562 -1.0456 -0.4119 -0.3988 -0.0540 -0.0495 0.0189 0.0284 0.2132 0.2407 0.3666 0.3765 0.5130 0.5221 0.6259 0.6301 0.7244 0.7300 1.2847 1.2917 1.4373 1.4423 1.4962 1.5009 6.1429 6.1465 9.1389 9.2003 9.5158 9.5936 10.3176 10.3590 10.7077 10.7230 11.3776 11.4211 k = 0.5000-0.1273-0.3375 ( 8846 PWs) bands (ev): -46.3809 -46.3809 -19.1249 -19.1242 -18.4993 -18.4548 -18.3787 -18.2985 -18.2670 -18.2487 -18.0423 -18.0208 -16.6422 -16.6166 -16.3821 -16.3560 -15.8730 -15.8584 -14.9580 -14.9507 -14.8303 -14.8282 -8.2844 -8.2816 -5.0931 -5.0126 -4.8178 -4.7171 -4.2677 -4.2533 -3.6150 -3.6022 -2.7845 -2.7775 -2.5339 -2.5035 -1.8223 -1.8028 -1.6759 -1.6532 -1.0518 -1.0410 -0.4123 -0.3982 -0.0692 -0.0634 0.0092 0.0187 0.2117 0.2391 0.3678 0.3780 0.5204 0.5296 0.6260 0.6305 0.7246 0.7305 1.2867 1.2943 1.4364 1.4417 1.4970 1.5019 6.1514 6.1553 9.1365 9.2060 9.4903 9.5763 10.3377 10.3799 10.7288 10.7465 11.3566 11.4022 k = 0.5000-0.1167-0.3520 ( 8854 PWs) bands (ev): -46.3809 -46.3809 -19.1241 -19.1234 -18.5000 -18.4527 -18.3812 -18.2960 -18.2680 -18.2483 -18.0410 -18.0185 -16.6446 -16.6177 -16.3849 -16.3573 -15.8809 -15.8654 -14.9537 -14.9460 -14.8276 -14.8254 -8.2771 -8.2740 -5.0965 -5.0107 -4.8241 -4.7171 -4.2699 -4.2556 -3.6013 -3.5887 -2.7938 -2.7856 -2.5536 -2.5224 -1.8108 -1.7883 -1.6687 -1.6477 -1.0476 -1.0367 -0.4127 -0.3977 -0.0838 -0.0767 -0.0013 0.0078 0.2102 0.2373 0.3683 0.3785 0.5274 0.5368 0.6269 0.6317 0.7248 0.7308 1.2888 1.2969 1.4355 1.4411 1.4976 1.5026 6.1604 6.1644 9.1339 9.2116 9.4670 9.5614 10.3510 10.3939 10.7550 10.7756 11.3363 11.3837 k = 0.5000-0.1061-0.3665 ( 8848 PWs) bands (ev): -46.3809 -46.3809 -19.1235 -19.1226 -18.5005 -18.4508 -18.3832 -18.2937 -18.2690 -18.2479 -18.0394 -18.0161 -16.6469 -16.6188 -16.3878 -16.3590 -15.8894 -15.8730 -14.9490 -14.9409 -14.8248 -14.8225 -8.2691 -8.2658 -5.0999 -5.0094 -4.8308 -4.7183 -4.2717 -4.2568 -3.5870 -3.5747 -2.8039 -2.7943 -2.5744 -2.5430 -1.8022 -1.7767 -1.6562 -1.6374 -1.0437 -1.0328 -0.4127 -0.3969 -0.0977 -0.0894 -0.0124 -0.0041 0.2085 0.2348 0.3685 0.3786 0.5339 0.5433 0.6286 0.6337 0.7249 0.7311 1.2910 1.2996 1.4346 1.4405 1.4981 1.5032 6.1697 6.1739 9.1311 9.2169 9.4461 9.5489 10.3573 10.4010 10.7861 10.8099 11.3172 11.3660 k = 0.5000-0.0955-0.3810 ( 8852 PWs) bands (ev): -46.3809 -46.3809 -19.1229 -19.1220 -18.5008 -18.4491 -18.3848 -18.2916 -18.2699 -18.2475 -18.0376 -18.0137 -16.6490 -16.6198 -16.3911 -16.3612 -15.8983 -15.8811 -14.9441 -14.9356 -14.8218 -14.8194 -8.2605 -8.2570 -5.1034 -5.0087 -4.8380 -4.7206 -4.2732 -4.2566 -3.5723 -3.5604 -2.8147 -2.8035 -2.5963 -2.5651 -1.7958 -1.7679 -1.6391 -1.6223 -1.0401 -1.0292 -0.4124 -0.3959 -0.1110 -0.1016 -0.0236 -0.0164 0.2062 0.2314 0.3687 0.3784 0.5395 0.5490 0.6310 0.6365 0.7249 0.7313 1.2932 1.3023 1.4338 1.4399 1.4984 1.5035 6.1792 6.1836 9.1282 9.2218 9.4278 9.5388 10.3570 10.4016 10.8212 10.8482 11.2995 11.3494 k = 0.5000-0.0849-0.3955 ( 8844 PWs) bands (ev): -46.3809 -46.3809 -19.1225 -19.1215 -18.5009 -18.4476 -18.3858 -18.2898 -18.2706 -18.2471 -18.0355 -18.0112 -16.6509 -16.6208 -16.3946 -16.3639 -15.9076 -15.8897 -14.9388 -14.9301 -14.8187 -14.8163 -8.2514 -8.2476 -5.1070 -5.0085 -4.8456 -4.7241 -4.2741 -4.2549 -3.5572 -3.5459 -2.8263 -2.8132 -2.6193 -2.5887 -1.7904 -1.7610 -1.6183 -1.6032 -1.0368 -1.0261 -0.4117 -0.3946 -0.1238 -0.1136 -0.0347 -0.0289 0.2029 0.2269 0.3692 0.3784 0.5441 0.5536 0.6342 0.6400 0.7250 0.7314 1.2956 1.3050 1.4330 1.4394 1.4986 1.5037 6.1889 6.1933 9.1252 9.2261 9.4124 9.5308 10.3505 10.3966 10.8593 10.8894 11.2836 11.3343 k = 0.5000-0.0744-0.4100 ( 8844 PWs) bands (ev): -46.3809 -46.3809 -19.1223 -19.1212 -18.5007 -18.4464 -18.3862 -18.2882 -18.2710 -18.2468 -18.0332 -18.0087 -16.6525 -16.6216 -16.3985 -16.3670 -15.9172 -15.8987 -14.9333 -14.9243 -14.8156 -14.8131 -8.2416 -8.2377 -5.1107 -5.0090 -4.8538 -4.7290 -4.2744 -4.2516 -3.5420 -3.5313 -2.8388 -2.8234 -2.6431 -2.6137 -1.7850 -1.7548 -1.5951 -1.5812 -1.0339 -1.0234 -0.4104 -0.3928 -0.1363 -0.1256 -0.0452 -0.0410 0.1985 0.2212 0.3700 0.3787 0.5475 0.5570 0.6380 0.6441 0.7251 0.7315 1.2981 1.3078 1.4322 1.4388 1.4984 1.5036 6.1985 6.2031 9.1225 9.2294 9.4000 9.5249 10.3387 10.3864 10.8993 10.9321 11.2698 11.3209 k = 0.5000-0.0638-0.4245 ( 8834 PWs) bands (ev): -46.3809 -46.3809 -19.1222 -19.1211 -18.5002 -18.4454 -18.3860 -18.2871 -18.2712 -18.2464 -18.0306 -18.0061 -16.6538 -16.6223 -16.4027 -16.3706 -15.9272 -15.9082 -14.9275 -14.9184 -14.8124 -14.8099 -8.2313 -8.2272 -5.1144 -5.0100 -4.8624 -4.7351 -4.2740 -4.2468 -3.5268 -3.5168 -2.8523 -2.8343 -2.6678 -2.6399 -1.7788 -1.7484 -1.5703 -1.5571 -1.0313 -1.0212 -0.4085 -0.3906 -0.1488 -0.1377 -0.0547 -0.0521 0.1929 0.2141 0.3711 0.3793 0.5497 0.5591 0.6424 0.6487 0.7253 0.7317 1.3007 1.3108 1.4314 1.4381 1.4981 1.5032 6.2082 6.2128 9.1200 9.2317 9.3908 9.5209 10.3221 10.3717 10.9402 10.9752 11.2585 11.3095 k = 0.5000-0.0532-0.4390 ( 8834 PWs) bands (ev): -46.3809 -46.3809 -19.1223 -19.1211 -18.4995 -18.4448 -18.3851 -18.2863 -18.2711 -18.2460 -18.0277 -18.0033 -16.6549 -16.6229 -16.4072 -16.3747 -15.9374 -15.9180 -14.9216 -14.9122 -14.8092 -14.8067 -8.2204 -8.2161 -5.1183 -5.0117 -4.8717 -4.7425 -4.2725 -4.2406 -3.5117 -3.5024 -2.8670 -2.8458 -2.6929 -2.6670 -1.7714 -1.7411 -1.5444 -1.5316 -1.0290 -1.0192 -0.4060 -0.3880 -0.1613 -0.1502 -0.0631 -0.0615 0.1861 0.2060 0.3724 0.3801 0.5505 0.5600 0.6472 0.6536 0.7256 0.7319 1.3035 1.3138 1.4306 1.4374 1.4974 1.5025 6.2176 6.2223 9.1180 9.2328 9.3850 9.5185 10.3012 10.3528 10.9807 11.0177 11.2500 11.3006 k = 0.5000-0.0426-0.4535 ( 8830 PWs) bands (ev): -46.3809 -46.3809 -19.1227 -19.1214 -18.4985 -18.4443 -18.3836 -18.2859 -18.2706 -18.2457 -18.0246 -18.0005 -16.6557 -16.6233 -16.4121 -16.3792 -15.9478 -15.9281 -14.9154 -14.9060 -14.8060 -14.8035 -8.2090 -8.2046 -5.1222 -5.0140 -4.8815 -4.7512 -4.2701 -4.2331 -3.4970 -3.4883 -2.8831 -2.8582 -2.7183 -2.6946 -1.7625 -1.7325 -1.5179 -1.5052 -1.0270 -1.0176 -0.4031 -0.3850 -0.1741 -0.1629 -0.0708 -0.0683 0.1783 0.1970 0.3736 0.3809 0.5501 0.5595 0.6522 0.6587 0.7261 0.7322 1.3065 1.3171 1.4297 1.4366 1.4965 1.5016 6.2269 6.2315 9.1166 9.2330 9.3822 9.5175 10.2766 10.3301 11.0199 11.0583 11.2448 11.2946 k = 0.5000-0.0320-0.4680 ( 8832 PWs) bands (ev): -46.3809 -46.3809 -19.1233 -19.1219 -18.4973 -18.4441 -18.3815 -18.2859 -18.2698 -18.2453 -18.0212 -17.9975 -16.6562 -16.6235 -16.4174 -16.3843 -15.9585 -15.9384 -14.9091 -14.8996 -14.8028 -14.8003 -8.1972 -8.1925 -5.1263 -5.0168 -4.8918 -4.7610 -4.2666 -4.2243 -3.4827 -3.4747 -2.9008 -2.8715 -2.7437 -2.7219 -1.7518 -1.7222 -1.4911 -1.4782 -1.0252 -1.0160 -0.4001 -0.3821 -0.1868 -0.1758 -0.0769 -0.0728 0.1697 0.1872 0.3746 0.3815 0.5484 0.5577 0.6574 0.6639 0.7269 0.7327 1.3098 1.3205 1.4287 1.4358 1.4953 1.5003 6.2357 6.2403 9.1159 9.2323 9.3822 9.5179 10.2485 10.3040 11.0562 11.0957 11.2434 11.2921 k = 0.5000-0.0214-0.4825 ( 8840 PWs) bands (ev): -46.3809 -46.3809 -19.1242 -19.1227 -18.4959 -18.4441 -18.3789 -18.2862 -18.2687 -18.2450 -18.0175 -17.9944 -16.6565 -16.6236 -16.4230 -16.3898 -15.9692 -15.9489 -14.9027 -14.8931 -14.7997 -14.7972 -8.1848 -8.1800 -5.1305 -5.0203 -4.9025 -4.7719 -4.2620 -4.2145 -3.4692 -3.4617 -2.9204 -2.8862 -2.7689 -2.7481 -1.7395 -1.7101 -1.4642 -1.4510 -1.0234 -1.0145 -0.3972 -0.3796 -0.1989 -0.1884 -0.0811 -0.0755 0.1605 0.1770 0.3750 0.3817 0.5455 0.5547 0.6625 0.6691 0.7280 0.7333 1.3133 1.3241 1.4277 1.4348 1.4937 1.4988 6.2442 6.2487 9.1160 9.2312 9.3845 9.5192 10.2174 10.2747 11.0879 11.1284 11.2468 11.2943 k = 0.5000-0.0108-0.4970 ( 8848 PWs) bands (ev): -46.3809 -46.3809 -19.1253 -19.1237 -18.4943 -18.4442 -18.3758 -18.2866 -18.2676 -18.2446 -18.0134 -17.9911 -16.6566 -16.6235 -16.4290 -16.3957 -15.9800 -15.9596 -14.8961 -14.8866 -14.7966 -14.7942 -8.1721 -8.1671 -5.1348 -5.0243 -4.9137 -4.7837 -4.2563 -4.2038 -3.4567 -3.4496 -2.9421 -2.9028 -2.7934 -2.7724 -1.7254 -1.6961 -1.4375 -1.4237 -1.0216 -1.0128 -0.3953 -0.3783 -0.2096 -0.1998 -0.0834 -0.0765 0.1509 0.1665 0.3748 0.3812 0.5413 0.5505 0.6675 0.6740 0.7293 0.7342 1.3171 1.3280 1.4265 1.4337 1.4919 1.4969 6.2521 6.2566 9.1169 9.2300 9.3888 9.5215 10.1835 10.2425 11.1128 11.1546 11.2558 11.3027 k = 0.5000-0.0003-0.5115 ( 8850 PWs) bands (ev): -46.3809 -46.3809 -19.1267 -19.1251 -18.4924 -18.4443 -18.3723 -18.2871 -18.2662 -18.2442 -18.0090 -17.9875 -16.6564 -16.6234 -16.4353 -16.4021 -15.9908 -15.9704 -14.8895 -14.8800 -14.7937 -14.7913 -8.1589 -8.1539 -5.1391 -5.0289 -4.9251 -4.7965 -4.2496 -4.1921 -3.4454 -3.4386 -2.9659 -2.9219 -2.8164 -2.7942 -1.7098 -1.6802 -1.4110 -1.3964 -1.0195 -1.0109 -0.3950 -0.3790 -0.2178 -0.2091 -0.0837 -0.0759 0.1411 0.1560 0.3736 0.3799 0.5360 0.5452 0.6722 0.6786 0.7310 0.7354 1.3211 1.3321 1.4254 1.4325 1.4897 1.4948 6.2595 6.2639 9.1188 9.2291 9.3945 9.5244 10.1472 10.2078 11.1291 11.1733 11.2700 11.3184 k = 0.5000 0.0103-0.5260 ( 8848 PWs) bands (ev): -46.3809 -46.3809 -19.1284 -19.1266 -18.4904 -18.4445 -18.3685 -18.2877 -18.2649 -18.2438 -18.0043 -17.9837 -16.6560 -16.6230 -16.4420 -16.4090 -16.0016 -15.9813 -14.8828 -14.8734 -14.7908 -14.7885 -8.1454 -8.1402 -5.1436 -5.0341 -4.9368 -4.8100 -4.2419 -4.1796 -3.4356 -3.4288 -2.9917 -2.9440 -2.8371 -2.8133 -1.6926 -1.6624 -1.3849 -1.3694 -1.0172 -1.0085 -0.3974 -0.3826 -0.2227 -0.2155 -0.0824 -0.0738 0.1314 0.1455 0.3715 0.3777 0.5295 0.5387 0.6766 0.6828 0.7331 0.7370 1.3254 1.3364 1.4241 1.4312 1.4873 1.4924 6.2663 6.2706 9.1216 9.2285 9.4014 9.5279 10.1088 10.1710 11.1369 11.1847 11.2878 11.3410 k = 0.5000 0.0209-0.5405 ( 8844 PWs) bands (ev): -46.3809 -46.3809 -19.1303 -19.1285 -18.4882 -18.4446 -18.3643 -18.2883 -18.2635 -18.2434 -17.9993 -17.9797 -16.6554 -16.6226 -16.4489 -16.4162 -16.0123 -15.9921 -14.8762 -14.8668 -14.7880 -14.7858 -8.1315 -8.1263 -5.1481 -5.0399 -4.9485 -4.8241 -4.2332 -4.1664 -3.4277 -3.4205 -3.0191 -2.9690 -2.8547 -2.8300 -1.6739 -1.6428 -1.3591 -1.3427 -1.0145 -1.0056 -0.4032 -0.3897 -0.2235 -0.2180 -0.0795 -0.0704 0.1217 0.1351 0.3683 0.3745 0.5218 0.5311 0.6805 0.6865 0.7355 0.7389 1.3300 1.3409 1.4227 1.4297 1.4847 1.4898 6.2725 6.2766 9.1253 9.2286 9.4091 9.5319 10.0686 10.1323 11.1373 11.1894 11.3072 11.3682 k = 0.5000 0.0315-0.5550 ( 8844 PWs) bands (ev): -46.3809 -46.3809 -19.1325 -19.1306 -18.4859 -18.4448 -18.3600 -18.2888 -18.2621 -18.2430 -17.9939 -17.9754 -16.6547 -16.6221 -16.4562 -16.4239 -16.0228 -16.0028 -14.8695 -14.8602 -14.7853 -14.7832 -8.1174 -8.1121 -5.1527 -5.0463 -4.9601 -4.8388 -4.2236 -4.1527 -3.4220 -3.4140 -3.0478 -2.9966 -2.8691 -2.8445 -1.6539 -1.6216 -1.3339 -1.3164 -1.0112 -1.0020 -0.4127 -0.4003 -0.2203 -0.2164 -0.0752 -0.0658 0.1124 0.1251 0.3640 0.3702 0.5130 0.5225 0.6839 0.6898 0.7380 0.7412 1.3347 1.3456 1.4212 1.4281 1.4818 1.4870 6.2780 6.2820 9.1298 9.2293 9.4174 9.5361 10.0269 10.0921 11.1315 11.1877 11.3265 11.3979 k = 0.5000 0.0421-0.5695 ( 8842 PWs) bands (ev): -46.3809 -46.3809 -19.1349 -19.1329 -18.4834 -18.4449 -18.3554 -18.2893 -18.2607 -18.2426 -17.9881 -17.9708 -16.6539 -16.6216 -16.4637 -16.4319 -16.0332 -16.0134 -14.8628 -14.8537 -14.7828 -14.7807 -8.1030 -8.0977 -5.1573 -5.0533 -4.9715 -4.8539 -4.2132 -4.1383 -3.4187 -3.4096 -3.0771 -3.0258 -2.8806 -2.8568 -1.6327 -1.5989 -1.3091 -1.2906 -1.0072 -0.9976 -0.4256 -0.4139 -0.2135 -0.2108 -0.0696 -0.0602 0.1035 0.1156 0.3586 0.3648 0.5032 0.5128 0.6869 0.6926 0.7407 0.7438 1.3396 1.3505 1.4196 1.4264 1.4789 1.4842 6.2828 6.2866 9.1349 9.2305 9.4262 9.5406 9.9841 10.0509 11.1201 11.1792 11.3451 11.4283 k = 0.5000 0.0527-0.5840 ( 8844 PWs) bands (ev): -46.3809 -46.3809 -19.1375 -19.1355 -18.4809 -18.4450 -18.3507 -18.2898 -18.2594 -18.2422 -17.9820 -17.9659 -16.6529 -16.6210 -16.4715 -16.4403 -16.0433 -16.0238 -14.8562 -14.8473 -14.7804 -14.7784 -8.0884 -8.0831 -5.1620 -5.0611 -4.9825 -4.8693 -4.2020 -4.1235 -3.4181 -3.4076 -3.1067 -3.0559 -2.8895 -2.8673 -1.6103 -1.5748 -1.2849 -1.2653 -1.0026 -0.9924 -0.4412 -0.4298 -0.2040 -0.2018 -0.0630 -0.0536 0.0953 0.1067 0.3520 0.3584 0.4925 0.5023 0.6894 0.6949 0.7435 0.7466 1.3446 1.3553 1.4178 1.4245 1.4759 1.4812 6.2869 6.2906 9.1406 9.2323 9.4352 9.5452 9.9407 10.0090 11.1031 11.1631 11.3633 11.4580 k = 0.7335 0.1986-0.1278 ( 8844 PWs) bands (ev): -46.3809 -46.3809 -19.1375 -19.1355 -18.4809 -18.4450 -18.3507 -18.2898 -18.2594 -18.2422 -17.9820 -17.9659 -16.6529 -16.6210 -16.4715 -16.4403 -16.0433 -16.0238 -14.8562 -14.8473 -14.7804 -14.7784 -8.0884 -8.0831 -5.1620 -5.0611 -4.9825 -4.8693 -4.2020 -4.1235 -3.4181 -3.4076 -3.1067 -3.0559 -2.8895 -2.8673 -1.6103 -1.5748 -1.2849 -1.2653 -1.0026 -0.9923 -0.4412 -0.4298 -0.2040 -0.2018 -0.0630 -0.0536 0.0953 0.1067 0.3520 0.3584 0.4924 0.5023 0.6894 0.6949 0.7435 0.7466 1.3445 1.3553 1.4177 1.4245 1.4759 1.4813 6.2869 6.2906 9.1406 9.2323 9.4352 9.5452 9.9407 10.0090 11.1031 11.1631 11.3633 11.4580 k = 0.7242 0.2032-0.1135 ( 8840 PWs) bands (ev): -46.3809 -46.3809 -19.1403 -19.1383 -18.4784 -18.4449 -18.3461 -18.2901 -18.2581 -18.2418 -17.9757 -17.9608 -16.6518 -16.6205 -16.4794 -16.4488 -16.0530 -16.0338 -14.8499 -14.8411 -14.7782 -14.7763 -8.0740 -8.0687 -5.1666 -5.0693 -4.9930 -4.8846 -4.1904 -4.1086 -3.4203 -3.4083 -3.1357 -3.0855 -2.8961 -2.8757 -1.5873 -1.5500 -1.2616 -1.2410 -0.9972 -0.9864 -0.4586 -0.4471 -0.1926 -0.1905 -0.0558 -0.0467 0.0881 0.0987 0.3444 0.3512 0.4811 0.4912 0.6915 0.6967 0.7461 0.7495 1.3494 1.3601 1.4158 1.4224 1.4730 1.4785 6.2902 6.2938 9.1465 9.2344 9.4442 9.5498 9.8977 9.9677 11.0810 11.1398 11.3811 11.4855 k = 0.7149 0.2078-0.0993 ( 8844 PWs) bands (ev): -46.3809 -46.3809 -19.1433 -19.1412 -18.4760 -18.4449 -18.3414 -18.2904 -18.2569 -18.2414 -17.9691 -17.9554 -16.6508 -16.6199 -16.4874 -16.4576 -16.0623 -16.0436 -14.8436 -14.8351 -14.7761 -14.7743 -8.0595 -8.0542 -5.1712 -5.0781 -5.0028 -4.9001 -4.1781 -4.0933 -3.4254 -3.4119 -3.1642 -3.1148 -2.9007 -2.8824 -1.5634 -1.5242 -1.2388 -1.2173 -0.9910 -0.9796 -0.4774 -0.4656 -0.1797 -0.1775 -0.0481 -0.0394 0.0819 0.0917 0.3358 0.3429 0.4690 0.4795 0.6933 0.6983 0.7487 0.7522 1.3541 1.3646 1.4137 1.4202 1.4704 1.4759 6.2929 6.2963 9.1524 9.2368 9.4532 9.5544 9.8548 9.9266 11.0538 11.1095 11.3995 11.5105 k = 0.7055 0.2123-0.0851 ( 8846 PWs) bands (ev): -46.3809 -46.3809 -19.1464 -19.1443 -18.4735 -18.4448 -18.3367 -18.2907 -18.2557 -18.2410 -17.9622 -17.9497 -16.6496 -16.6195 -16.4956 -16.4666 -16.0713 -16.0530 -14.8374 -14.8291 -14.7742 -14.7724 -8.0450 -8.0397 -5.1758 -5.0875 -5.0122 -4.9156 -4.1652 -4.0777 -3.4334 -3.4184 -3.1920 -3.1433 -2.9035 -2.8874 -1.5387 -1.4977 -1.2164 -1.1941 -0.9840 -0.9720 -0.4970 -0.4850 -0.1656 -0.1633 -0.0403 -0.0323 0.0771 0.0860 0.3262 0.3337 0.4564 0.4673 0.6948 0.6995 0.7510 0.7548 1.3585 1.3688 1.4115 1.4179 1.4680 1.4735 6.2950 6.2982 9.1581 9.2393 9.4620 9.5588 9.8127 9.8861 11.0220 11.0734 11.4186 11.5326 k = 0.6962 0.2169-0.0708 ( 8850 PWs) bands (ev): -46.3809 -46.3809 -19.1497 -19.1475 -18.4710 -18.4446 -18.3321 -18.2908 -18.2546 -18.2406 -17.9550 -17.9437 -16.6485 -16.6191 -16.5040 -16.4759 -16.0799 -16.0621 -14.8314 -14.8234 -14.7724 -14.7707 -8.0305 -8.0253 -5.1804 -5.0974 -5.0209 -4.9311 -4.1518 -4.0617 -3.4442 -3.4281 -3.2190 -3.1709 -2.9045 -2.8907 -1.5133 -1.4706 -1.1944 -1.1714 -0.9762 -0.9637 -0.5173 -0.5048 -0.1507 -0.1484 -0.0329 -0.0258 0.0739 0.0818 0.3156 0.3235 0.4436 0.4549 0.6960 0.7005 0.7531 0.7571 1.3622 1.3720 1.4097 1.4159 1.4659 1.4715 6.2965 6.2995 9.1632 9.2415 9.4703 9.5629 9.7719 9.8469 10.9862 11.0328 11.4387 11.5517 k = 0.6868 0.2214-0.0566 ( 8850 PWs) bands (ev): -46.3809 -46.3809 -19.1530 -19.1509 -18.4687 -18.4443 -18.3276 -18.2909 -18.2536 -18.2402 -17.9475 -17.9374 -16.6474 -16.6188 -16.5124 -16.4852 -16.0882 -16.0709 -14.8256 -14.8178 -14.7707 -14.7691 -8.0161 -8.0110 -5.1849 -5.1076 -5.0292 -4.9464 -4.1378 -4.0455 -3.4576 -3.4406 -3.2452 -3.1975 -2.9040 -2.8924 -1.4874 -1.4431 -1.1728 -1.1492 -0.9676 -0.9545 -0.5378 -0.5249 -0.1356 -0.1331 -0.0265 -0.0202 0.0727 0.0797 0.3042 0.3125 0.4306 0.4423 0.6970 0.7014 0.7548 0.7590 1.3649 1.3738 1.4087 1.4144 1.4644 1.4699 6.2974 6.3003 9.1675 9.2434 9.4779 9.5665 9.7333 9.8095 10.9474 10.9890 11.4595 11.5687 k = 0.6775 0.2260-0.0424 ( 8846 PWs) bands (ev): -46.3809 -46.3809 -19.1564 -19.1543 -18.4663 -18.4440 -18.3232 -18.2908 -18.2526 -18.2398 -17.9399 -17.9309 -16.6463 -16.6186 -16.5208 -16.4947 -16.0960 -16.0792 -14.8199 -14.8124 -14.7691 -14.7676 -8.0019 -7.9968 -5.1895 -5.1180 -5.0369 -4.9615 -4.1233 -4.0290 -3.4732 -3.4556 -3.2706 -3.2231 -2.9022 -2.8926 -1.4611 -1.4154 -1.1514 -1.1273 -0.9583 -0.9447 -0.5584 -0.5452 -0.1209 -0.1178 -0.0213 -0.0156 0.0735 0.0798 0.2922 0.3008 0.4178 0.4299 0.6979 0.7021 0.7561 0.7605 1.3659 1.3736 1.4091 1.4141 1.4632 1.4687 6.2978 6.3005 9.1705 9.2444 9.4842 9.5689 9.6983 9.7746 10.9063 10.9431 11.4808 11.5845 k = 0.6681 0.2305-0.0281 ( 8848 PWs) bands (ev): -46.3809 -46.3809 -19.1599 -19.1578 -18.4641 -18.4436 -18.3190 -18.2907 -18.2517 -18.2394 -17.9321 -17.9242 -16.6452 -16.6185 -16.5291 -16.5043 -16.1033 -16.0872 -14.8145 -14.8072 -14.7677 -14.7663 -7.9879 -7.9829 -5.1940 -5.1285 -5.0442 -4.9763 -4.1084 -4.0123 -3.4907 -3.4727 -3.2954 -3.2478 -2.8992 -2.8915 -1.4344 -1.3876 -1.1301 -1.1059 -0.9484 -0.9343 -0.5790 -0.5653 -0.1072 -0.1030 -0.0176 -0.0113 0.0758 0.0818 0.2797 0.2888 0.4053 0.4177 0.6987 0.7029 0.7570 0.7614 1.3649 1.3712 1.4109 1.4152 1.4626 1.4679 6.2977 6.3002 9.1718 9.2443 9.4886 9.5691 9.6688 9.7429 10.8638 10.8962 11.5025 11.5999 k = 0.6588 0.2351-0.0139 ( 8846 PWs) bands (ev): -46.3809 -46.3809 -19.1633 -19.1613 -18.4620 -18.4432 -18.3149 -18.2904 -18.2508 -18.2391 -17.9242 -17.9172 -16.6443 -16.6187 -16.5374 -16.5138 -16.1102 -16.0947 -14.8092 -14.8023 -14.7664 -14.7650 -7.9741 -7.9693 -5.1984 -5.1389 -5.0511 -4.9907 -4.0930 -3.9953 -3.5095 -3.4913 -3.3199 -3.2718 -2.8953 -2.8892 -1.4077 -1.3601 -1.1090 -1.0847 -0.9381 -0.9233 -0.5995 -0.5854 -0.0954 -0.0893 -0.0145 -0.0066 0.0789 0.0852 0.2674 0.2768 0.3933 0.4059 0.6995 0.7037 0.7574 0.7619 1.3618 1.3669 1.4139 1.4178 1.4623 1.4675 6.2972 6.2996 9.1712 9.2425 9.4901 9.5656 9.6475 9.7154 10.8206 10.8490 11.5242 11.6153 k = 0.6495 0.2396 0.0004 ( 8852 PWs) bands (ev): -46.3809 -46.3809 -19.1668 -19.1648 -18.4600 -18.4428 -18.3110 -18.2901 -18.2500 -18.2387 -17.9163 -17.9102 -16.6434 -16.6190 -16.5455 -16.5232 -16.1166 -16.1018 -14.8043 -14.7976 -14.7652 -14.7638 -7.9607 -7.9560 -5.2029 -5.1491 -5.0576 -5.0046 -4.0772 -3.9781 -3.5293 -3.5110 -3.3441 -3.2952 -2.8907 -2.8859 -1.3809 -1.3330 -1.0879 -1.0638 -0.9274 -0.9119 -0.6196 -0.6051 -0.0864 -0.0780 -0.0106 -0.0006 0.0818 0.0887 0.2558 0.2656 0.3817 0.3946 0.7003 0.7046 0.7574 0.7619 1.3571 1.3613 1.4177 1.4216 1.4625 1.4674 6.2963 6.2986 9.1683 9.2384 9.4878 9.5575 9.6362 9.6929 10.7773 10.8021 11.5458 11.6309 k = 0.6401 0.2442 0.0146 ( 8852 PWs) bands (ev): -46.3809 -46.3809 -19.1701 -19.1682 -18.4581 -18.4423 -18.3074 -18.2898 -18.2493 -18.2384 -17.9083 -17.9031 -16.6425 -16.6195 -16.5534 -16.5325 -16.1225 -16.1084 -14.7995 -14.7932 -14.7640 -14.7628 -7.9477 -7.9432 -5.2073 -5.1590 -5.0638 -5.0180 -4.0609 -3.9606 -3.5495 -3.5312 -3.3682 -3.3183 -2.8856 -2.8819 -1.3544 -1.3065 -1.0667 -1.0430 -0.9164 -0.9000 -0.6393 -0.6244 -0.0808 -0.0706 -0.0041 0.0072 0.0832 0.0913 0.2458 0.2561 0.3708 0.3839 0.7012 0.7056 0.7568 0.7614 1.3511 1.3547 1.4221 1.4259 1.4630 1.4676 6.2952 6.2972 9.1630 9.2314 9.4816 9.5471 9.6330 9.6762 10.7345 10.7560 11.5671 11.6465 k = 0.6308 0.2487 0.0288 ( 8848 PWs) bands (ev): -46.3809 -46.3809 -19.1735 -19.1716 -18.4564 -18.4419 -18.3039 -18.2893 -18.2486 -18.2381 -17.9005 -17.8960 -16.6418 -16.6203 -16.5609 -16.5416 -16.1280 -16.1147 -14.7951 -14.7890 -14.7630 -14.7618 -7.9351 -7.9308 -5.2117 -5.1685 -5.0697 -5.0307 -4.0442 -3.9429 -3.5699 -3.5514 -3.3922 -3.3412 -2.8801 -2.8772 -1.3282 -1.2808 -1.0456 -1.0224 -0.9053 -0.8879 -0.6585 -0.6433 -0.0784 -0.0675 0.0055 0.0165 0.0819 0.0924 0.2384 0.2492 0.3604 0.3737 0.7023 0.7068 0.7559 0.7604 1.3443 1.3475 1.4268 1.4305 1.4637 1.4680 6.2937 6.2956 9.1553 9.2212 9.4730 9.5365 9.6347 9.6656 10.6925 10.7112 11.5878 11.6620 k = 0.6214 0.2533 0.0431 ( 8842 PWs) bands (ev): -46.3809 -46.3809 -19.1767 -19.1749 -18.4547 -18.4414 -18.3007 -18.2888 -18.2479 -18.2379 -17.8927 -17.8889 -16.6412 -16.6214 -16.5680 -16.5505 -16.1330 -16.1204 -14.7909 -14.7852 -14.7620 -14.7608 -7.9230 -7.9190 -5.2160 -5.1776 -5.0753 -5.0428 -4.0272 -3.9249 -3.5900 -3.5712 -3.4163 -3.3640 -2.8745 -2.8721 -1.3024 -1.2560 -1.0245 -1.0019 -0.8942 -0.8756 -0.6771 -0.6616 -0.0786 -0.0678 0.0165 0.0254 0.0779 0.0923 0.2342 0.2455 0.3507 0.3642 0.7035 0.7083 0.7545 0.7589 1.3369 1.3398 1.4317 1.4352 1.4647 1.4687 6.2921 6.2939 9.1454 9.2075 9.4643 9.5265 9.6390 9.6603 10.6518 10.6679 11.6079 11.6772 k = 0.6121 0.2578 0.0573 ( 8840 PWs) bands (ev): -46.3809 -46.3809 -19.1798 -19.1781 -18.4531 -18.4410 -18.2978 -18.2882 -18.2473 -18.2377 -17.8852 -17.8819 -16.6408 -16.6227 -16.5747 -16.5589 -16.1375 -16.1258 -14.7870 -14.7817 -14.7611 -14.7600 -7.9116 -7.9078 -5.2202 -5.1861 -5.0806 -5.0540 -4.0097 -3.9066 -3.6097 -3.5902 -3.4404 -3.3869 -2.8689 -2.8668 -1.2774 -1.2323 -1.0036 -0.9815 -0.8832 -0.8633 -0.6950 -0.6792 -0.0805 -0.0703 0.0252 0.0312 0.0734 0.0932 0.2333 0.2450 0.3414 0.3552 0.7050 0.7099 0.7528 0.7571 1.3292 1.3319 1.4365 1.4397 1.4659 1.4695 6.2903 6.2919 9.1334 9.1909 9.4572 9.5171 9.6448 9.6592 10.6128 10.6265 11.6272 11.6917 k = 0.6028 0.2624 0.0715 ( 8834 PWs) bands (ev): -46.3809 -46.3809 -19.1827 -19.1811 -18.4517 -18.4406 -18.2951 -18.2876 -18.2467 -18.2376 -17.8779 -17.8752 -16.6405 -16.6243 -16.5807 -16.5669 -16.1416 -16.1307 -14.7835 -14.7786 -14.7601 -14.7591 -7.9008 -7.8972 -5.2244 -5.1941 -5.0856 -5.0644 -3.9919 -3.8881 -3.6287 -3.6084 -3.4645 -3.4097 -2.8634 -2.8614 -1.2531 -1.2100 -0.9831 -0.9612 -0.8724 -0.8510 -0.7120 -0.6960 -0.0835 -0.0741 0.0250 0.0303 0.0747 0.0984 0.2353 0.2470 0.3328 0.3467 0.7068 0.7118 0.7508 0.7549 1.3213 1.3238 1.4411 1.4441 1.4673 1.4704 6.2884 6.2899 9.1200 9.1721 9.4523 9.5086 9.6513 9.6611 10.5757 10.5873 11.6455 11.7055 k = 0.5934 0.2670 0.0858 ( 8830 PWs) bands (ev): -46.3809 -46.3809 -19.1854 -19.1840 -18.4503 -18.4403 -18.2927 -18.2869 -18.2461 -18.2375 -17.8710 -17.8686 -16.6404 -16.6263 -16.5861 -16.5743 -16.1452 -16.1352 -14.7803 -14.7758 -14.7592 -14.7583 -7.8907 -7.8874 -5.2284 -5.2015 -5.0903 -5.0739 -3.9737 -3.8693 -3.6468 -3.6252 -3.4884 -3.4326 -2.8580 -2.8561 -1.2299 -1.1890 -0.9632 -0.9412 -0.8620 -0.8392 -0.7279 -0.7117 -0.0871 -0.0786 0.0158 0.0203 0.0847 0.1085 0.2391 0.2506 0.3246 0.3387 0.7088 0.7139 0.7485 0.7524 1.3134 1.3157 1.4455 1.4482 1.4688 1.4715 6.2865 6.2879 9.1056 9.1519 9.4495 9.5013 9.6581 9.6647 10.5408 10.5505 11.6629 11.7182 k = 0.5841 0.2715 0.1000 ( 8830 PWs) bands (ev): -46.3809 -46.3809 -19.1880 -19.1866 -18.4491 -18.4401 -18.2905 -18.2863 -18.2455 -18.2375 -17.8645 -17.8625 -16.6404 -16.6285 -16.5907 -16.5812 -16.1484 -16.1392 -14.7774 -14.7734 -14.7583 -14.7575 -7.8813 -7.8783 -5.2322 -5.2084 -5.0947 -5.0825 -3.9551 -3.8502 -3.6640 -3.6407 -3.5122 -3.4556 -2.8529 -2.8511 -1.2078 -1.1696 -0.9442 -0.9217 -0.8520 -0.8280 -0.7425 -0.7261 -0.0910 -0.0834 0.0014 0.0049 0.0988 0.1215 0.2441 0.2551 0.3170 0.3311 0.7111 0.7161 0.7461 0.7497 1.3057 1.3079 1.4496 1.4518 1.4705 1.4726 6.2846 6.2859 9.0908 9.1313 9.4484 9.4950 9.6651 9.6695 10.5083 10.5163 11.6791 11.7297 k = 0.5747 0.2761 0.1142 ( 8830 PWs) bands (ev): -46.3809 -46.3809 -19.1903 -19.1891 -18.4479 -18.4399 -18.2887 -18.2856 -18.2449 -18.2375 -17.8584 -17.8567 -16.6407 -16.6309 -16.5947 -16.5873 -16.1511 -16.1429 -14.7749 -14.7713 -14.7574 -14.7568 -7.8728 -7.8701 -5.2357 -5.2147 -5.0988 -5.0900 -3.9363 -3.8309 -3.6801 -3.6546 -3.5356 -3.4785 -2.8481 -2.8463 -1.1869 -1.1517 -0.9264 -0.9033 -0.8428 -0.8182 -0.7551 -0.7387 -0.0950 -0.0882 -0.0154 -0.0126 0.1141 0.1357 0.2493 0.2598 0.3098 0.3239 0.7136 0.7185 0.7436 0.7469 1.2983 1.3003 1.4533 1.4551 1.4722 1.4739 6.2828 6.2839 9.0762 9.1111 9.4487 9.4899 9.6719 9.6748 10.4785 10.4850 11.6942 11.7398 k = 0.5654 0.2806 0.1285 ( 8834 PWs) bands (ev): -46.3809 -46.3809 -19.1924 -19.1913 -18.4468 -18.4398 -18.2870 -18.2850 -18.2443 -18.2377 -17.8529 -17.8515 -16.6412 -16.6335 -16.5980 -16.5926 -16.1534 -16.1462 -14.7728 -14.7697 -14.7565 -14.7560 -7.8651 -7.8627 -5.2389 -5.2205 -5.1026 -5.0966 -3.9173 -3.8114 -3.6951 -3.6667 -3.5586 -3.5015 -2.8437 -2.8420 -1.1675 -1.1356 -0.9102 -0.8867 -0.8344 -0.8107 -0.7649 -0.7484 -0.0988 -0.0928 -0.0332 -0.0307 0.1295 0.1500 0.2544 0.2642 0.3033 0.3171 0.7162 0.7209 0.7412 0.7441 1.2913 1.2931 1.4566 1.4579 1.4739 1.4751 6.2811 6.2821 9.0624 9.0919 9.4500 9.4856 9.6784 9.6802 10.4515 10.4568 11.7080 11.7486 k = 0.5560 0.2852 0.1427 ( 8832 PWs) bands (ev): -46.3809 -46.3809 -19.1942 -19.1933 -18.4458 -18.4397 -18.2857 -18.2844 -18.2438 -18.2378 -17.8480 -17.8468 -16.6419 -16.6360 -16.6006 -16.5970 -16.1553 -16.1491 -14.7710 -14.7684 -14.7556 -14.7553 -7.8583 -7.8562 -5.2416 -5.2257 -5.1060 -5.1021 -3.8981 -3.7916 -3.7091 -3.6770 -3.5809 -3.5243 -2.8397 -2.8382 -1.1496 -1.1213 -0.8959 -0.8729 -0.8275 -0.8071 -0.7707 -0.7541 -0.1025 -0.0973 -0.0505 -0.0484 0.1444 0.1639 0.2589 0.2680 0.2975 0.3105 0.7188 0.7232 0.7389 0.7414 1.2850 1.2865 1.4593 1.4603 1.4756 1.4764 6.2796 6.2804 9.0497 9.0743 9.4519 9.4821 9.6843 9.6854 10.4277 10.4319 11.7205 11.7558 k = 0.5467 0.2897 0.1569 ( 8838 PWs) bands (ev): -46.3809 -46.3809 -19.1958 -19.1950 -18.4449 -18.4398 -18.2846 -18.2838 -18.2432 -18.2381 -17.8437 -17.8427 -16.6427 -16.6383 -16.6028 -16.6006 -16.1569 -16.1516 -14.7695 -14.7674 -14.7548 -14.7546 -7.8525 -7.8507 -5.2438 -5.2304 -5.1089 -5.1067 -3.8788 -3.7718 -3.7221 -3.6852 -3.6021 -3.5470 -2.8363 -2.8349 -1.1335 -1.1091 -0.8840 -0.8630 -0.8226 -0.8076 -0.7715 -0.7550 -0.1058 -0.1015 -0.0667 -0.0648 0.1585 0.1768 0.2626 0.2710 0.2926 0.3041 0.7213 0.7252 0.7370 0.7390 1.2793 1.2806 1.4616 1.4623 1.4772 1.4777 6.2782 6.2789 9.0386 9.0585 9.4542 9.4791 9.6896 9.6902 10.4072 10.4104 11.7317 11.7614 k = 0.5374 0.2943 0.1712 ( 8850 PWs) bands (ev): -46.3809 -46.3809 -19.1970 -19.1964 -18.4441 -18.4400 -18.2837 -18.2833 -18.2426 -18.2384 -17.8401 -17.8393 -16.6436 -16.6405 -16.6045 -16.6034 -16.1580 -16.1537 -14.7683 -14.7666 -14.7541 -14.7539 -7.8476 -7.8462 -5.2454 -5.2346 -5.1115 -5.1103 -3.8596 -3.7525 -3.7340 -3.6913 -3.6218 -3.5695 -2.8333 -2.8322 -1.1193 -1.0991 -0.8747 -0.8576 -0.8194 -0.8103 -0.7681 -0.7524 -0.1089 -0.1055 -0.0807 -0.0792 0.1714 0.1881 0.2651 0.2731 0.2889 0.2980 0.7234 0.7267 0.7355 0.7370 1.2745 1.2756 1.4634 1.4638 1.4786 1.4789 6.2770 6.2776 9.0294 9.0450 9.4567 9.4764 9.6941 9.6943 10.3902 10.3925 11.7415 11.7655 k = 0.5280 0.2988 0.1854 ( 8848 PWs) bands (ev): -46.3809 -46.3809 -19.1980 -19.1976 -18.4433 -18.4402 -18.2831 -18.2829 -18.2420 -18.2388 -17.8372 -17.8367 -16.6445 -16.6423 -16.6059 -16.6054 -16.1587 -16.1555 -14.7673 -14.7662 -14.7534 -14.7534 -7.8438 -7.8427 -5.2464 -5.2381 -5.1135 -5.1130 -3.8407 -3.7486 -3.7305 -3.6950 -3.6391 -3.5917 -2.8310 -2.8301 -1.1071 -1.0916 -0.8683 -0.8561 -0.8171 -0.8127 -0.7622 -0.7488 -0.1118 -0.1093 -0.0917 -0.0907 0.1830 0.1973 0.2665 0.2745 0.2864 0.2923 0.7251 0.7276 0.7347 0.7356 1.2707 1.2715 1.4647 1.4650 1.4798 1.4799 6.2761 6.2766 9.0223 9.0338 9.4593 9.4740 9.6977 9.6978 10.3768 10.3784 11.7498 11.7680 k = 0.5187 0.3034 0.1997 ( 8852 PWs) bands (ev): -46.3809 -46.3809 -19.1987 -19.1984 -18.4426 -18.4405 -18.2826 -18.2826 -18.2414 -18.2392 -17.8352 -17.8348 -16.6451 -16.6437 -16.6068 -16.6067 -16.1591 -16.1570 -14.7667 -14.7659 -14.7530 -14.7530 -7.8409 -7.8402 -5.2467 -5.2412 -5.1150 -5.1149 -3.8224 -3.7606 -3.7127 -3.6964 -3.6526 -3.6132 -2.8292 -2.8286 -1.0974 -1.0868 -0.8645 -0.8570 -0.8153 -0.8139 -0.7556 -0.7461 -0.1147 -0.1133 -0.0990 -0.0986 0.1927 0.2036 0.2674 0.2750 0.2851 0.2875 0.7261 0.7278 0.7345 0.7348 1.2679 1.2684 1.4656 1.4658 1.4806 1.4807 6.2755 6.2758 9.0177 9.0253 9.4619 9.4716 9.7003 9.7003 10.3671 10.3682 11.7567 11.7689 k = 0.5093 0.3079 0.2139 ( 8864 PWs) bands (ev): -46.3809 -46.3809 -19.1991 -19.1990 -18.4420 -18.4409 -18.2824 -18.2824 -18.2408 -18.2397 -17.8338 -17.8336 -16.6454 -16.6447 -16.6074 -16.6074 -16.1591 -16.1580 -14.7662 -14.7658 -14.7527 -14.7527 -7.8392 -7.8388 -5.2463 -5.2435 -5.1160 -5.1160 -3.8050 -3.7740 -3.6986 -3.6956 -3.6585 -3.6336 -2.8281 -2.8278 -1.0903 -1.0849 -0.8623 -0.8588 -0.8143 -0.8141 -0.7501 -0.7451 -0.1171 -0.1165 -0.1028 -0.1028 0.2003 0.2063 0.2688 0.2739 0.2843 0.2846 0.7267 0.7275 0.7346 0.7346 1.2662 1.2665 1.4662 1.4663 1.4811 1.4812 6.2751 6.2753 9.0156 9.0194 9.4644 9.4693 9.7019 9.7019 10.3614 10.3619 11.7621 11.7682 k = 0.5000 0.3125 0.2281 ( 8872 PWs) bands (ev): -46.3809 -46.3809 -19.1992 -19.1992 -18.4414 -18.4414 -18.2824 -18.2824 -18.2402 -18.2402 -17.8333 -17.8333 -16.6452 -16.6452 -16.6076 -16.6076 -16.1587 -16.1587 -14.7659 -14.7659 -14.7526 -14.7526 -7.8385 -7.8385 -5.2453 -5.2453 -5.1163 -5.1163 -3.7888 -3.7888 -3.6943 -3.6943 -3.6508 -3.6508 -2.8277 -2.8277 -1.0861 -1.0861 -0.8606 -0.8606 -0.8140 -0.8140 -0.7465 -0.7465 -0.1179 -0.1179 -0.1040 -0.1040 0.2051 0.2051 0.2712 0.2712 0.2839 0.2839 0.7271 0.7271 0.7346 0.7346 1.2658 1.2658 1.4664 1.4664 1.4813 1.4813 6.2750 6.2750 9.0161 9.0161 9.4669 9.4669 9.7024 9.7024 10.3597 10.3597 11.7659 11.7659 k = 0.5000 0.3125 0.2281 ( 8872 PWs) bands (ev): -46.3809 -46.3809 -19.1992 -19.1992 -18.4414 -18.4414 -18.2824 -18.2824 -18.2402 -18.2402 -17.8333 -17.8333 -16.6452 -16.6452 -16.6076 -16.6076 -16.1587 -16.1587 -14.7659 -14.7659 -14.7526 -14.7526 -7.8385 -7.8385 -5.2453 -5.2453 -5.1163 -5.1163 -3.7888 -3.7888 -3.6943 -3.6943 -3.6508 -3.6508 -2.8277 -2.8277 -1.0861 -1.0861 -0.8606 -0.8606 -0.8140 -0.8140 -0.7465 -0.7465 -0.1179 -0.1179 -0.1040 -0.1040 0.2051 0.2051 0.2712 0.2712 0.2839 0.2839 0.7271 0.7271 0.7346 0.7346 1.2658 1.2658 1.4664 1.4664 1.4813 1.4813 6.2750 6.2750 9.0161 9.0161 9.4669 9.4669 9.7024 9.7024 10.3597 10.3597 11.7659 11.7659 k = 0.4857 0.3036 0.2216 ( 8878 PWs) bands (ev): -46.3809 -46.3809 -19.1992 -19.1992 -18.4415 -18.4414 -18.2824 -18.2823 -18.2404 -18.2403 -17.8338 -17.8338 -16.6451 -16.6448 -16.6075 -16.6072 -16.1577 -16.1577 -14.7665 -14.7661 -14.7532 -14.7528 -7.8397 -7.8397 -5.2610 -5.2294 -5.1335 -5.0991 -3.8075 -3.7717 -3.7224 -3.6635 -3.6598 -3.6411 -2.8263 -2.8256 -1.0857 -1.0854 -0.8752 -0.8505 -0.8301 -0.8027 -0.7463 -0.7446 -0.1287 -0.1149 -0.1052 -0.0910 0.2044 0.2054 0.2641 0.2767 0.2787 0.2914 0.7037 0.7118 0.7503 0.7571 1.2661 1.2661 1.4659 1.4668 1.4806 1.4819 6.2735 6.2735 9.0144 9.0171 9.4599 9.4753 9.6946 9.7133 10.3594 10.3599 11.7681 11.7686 k = 0.4714 0.2946 0.2151 ( 8875 PWs) bands (ev): -46.3809 -46.3809 -19.1994 -19.1994 -18.4415 -18.4415 -18.2824 -18.2823 -18.2406 -18.2405 -17.8352 -17.8352 -16.6445 -16.6440 -16.6069 -16.6064 -16.1546 -16.1546 -14.7679 -14.7670 -14.7546 -14.7537 -7.8434 -7.8433 -5.2765 -5.2137 -5.1505 -5.0821 -3.8261 -3.7588 -3.7475 -3.6697 -3.6301 -3.6282 -2.8216 -2.8201 -1.0842 -1.0838 -0.8942 -0.8508 -0.8450 -0.7966 -0.7439 -0.7409 -0.1371 -0.1234 -0.0909 -0.0763 0.2036 0.2056 0.2575 0.2699 0.2864 0.2991 0.6803 0.6891 0.7729 0.7790 1.2673 1.2673 1.4653 1.4670 1.4798 1.4823 6.2688 6.2688 9.0119 9.0171 9.4545 9.4853 9.6898 9.7273 10.3590 10.3601 11.7750 11.7760 k = 0.4571 0.2857 0.2086 ( 8869 PWs) bands (ev): -46.3809 -46.3809 -19.1996 -19.1996 -18.4416 -18.4415 -18.2824 -18.2822 -18.2409 -18.2409 -17.8375 -17.8375 -16.6434 -16.6426 -16.6059 -16.6050 -16.1495 -16.1494 -14.7702 -14.7688 -14.7567 -14.7554 -7.8494 -7.8493 -5.2916 -5.1982 -5.1670 -5.0654 -3.8433 -3.7695 -3.7526 -3.6814 -3.6097 -3.5943 -2.8136 -2.8115 -1.0820 -1.0815 -0.9174 -0.8757 -0.8441 -0.7956 -0.7389 -0.7351 -0.1432 -0.1294 -0.0753 -0.0604 0.2025 0.2056 0.2514 0.2636 0.2942 0.3068 0.6573 0.6665 0.7949 0.8002 1.2691 1.2692 1.4645 1.4672 1.4788 1.4827 6.2610 6.2610 9.0087 9.0162 9.4506 9.4970 9.6883 9.7442 10.3586 10.3602 11.7866 11.7879 k = 0.4429 0.2768 0.2021 ( 8869 PWs) bands (ev): -46.3809 -46.3809 -19.1999 -19.1999 -18.4418 -18.4416 -18.2824 -18.2822 -18.2415 -18.2414 -17.8406 -17.8406 -16.6417 -16.6407 -16.6043 -16.6033 -16.1423 -16.1423 -14.7731 -14.7714 -14.7595 -14.7578 -7.8578 -7.8576 -5.3062 -5.1832 -5.1830 -5.0494 -3.8583 -3.7881 -3.7537 -3.6950 -3.5847 -3.5564 -2.8029 -2.8001 -1.0795 -1.0792 -0.9444 -0.9044 -0.8479 -0.7997 -0.7309 -0.7268 -0.1467 -0.1328 -0.0587 -0.0435 0.2013 0.2053 0.2459 0.2579 0.3017 0.3143 0.6349 0.6446 0.8158 0.8205 1.2717 1.2718 1.4636 1.4673 1.4777 1.4829 6.2501 6.2501 9.0052 9.0143 9.4484 9.5104 9.6899 9.7641 10.3580 10.3602 11.8024 11.8042 k = 0.4286 0.2679 0.1955 ( 8875 PWs) bands (ev): -46.3809 -46.3809 -19.2002 -19.2002 -18.4419 -18.4417 -18.2825 -18.2821 -18.2421 -18.2420 -17.8446 -17.8446 -16.6396 -16.6384 -16.6023 -16.6010 -16.1333 -16.1333 -14.7769 -14.7747 -14.7631 -14.7610 -7.8685 -7.8682 -5.3201 -5.1984 -5.1689 -5.0342 -3.8709 -3.8032 -3.7611 -3.7104 -3.5541 -3.5165 -2.7895 -2.7862 -1.0778 -1.0773 -0.9744 -0.9366 -0.8564 -0.8088 -0.7194 -0.7153 -0.1479 -0.1337 -0.0417 -0.0261 0.2000 0.2050 0.2412 0.2529 0.3087 0.3213 0.6136 0.6236 0.8357 0.8395 1.2750 1.2750 1.4625 1.4673 1.4764 1.4830 6.2359 6.2360 9.0012 9.0116 9.4482 9.5258 9.6947 9.7867 10.3572 10.3601 11.8222 11.8244 k = 0.4143 0.2589 0.1890 ( 8869 PWs) bands (ev): -46.3809 -46.3809 -19.2007 -19.2007 -18.4421 -18.4419 -18.2825 -18.2821 -18.2430 -18.2428 -17.8493 -17.8493 -16.6371 -16.6355 -16.5999 -16.5983 -16.1225 -16.1224 -14.7813 -14.7787 -14.7673 -14.7648 -7.8813 -7.8810 -5.3332 -5.2129 -5.1555 -5.0201 -3.8807 -3.8144 -3.7731 -3.7273 -3.5192 -3.4747 -2.7741 -2.7703 -1.0788 -1.0760 -1.0061 -0.9720 -0.8694 -0.8225 -0.7039 -0.7000 -0.1469 -0.1324 -0.0244 -0.0084 0.1988 0.2047 0.2372 0.2486 0.3150 0.3275 0.5937 0.6039 0.8541 0.8573 1.2790 1.2790 1.4612 1.4672 1.4749 1.4829 6.2186 6.2186 8.9971 9.0082 9.4502 9.5433 9.7029 9.8122 10.3563 10.3600 11.8456 11.8480 k = 0.4000 0.2500 0.1825 ( 8866 PWs) bands (ev): -46.3809 -46.3809 -19.2012 -19.2012 -18.4424 -18.4421 -18.2825 -18.2820 -18.2439 -18.2437 -17.8546 -17.8546 -16.6341 -16.6323 -16.5970 -16.5952 -16.1099 -16.1099 -14.7865 -14.7835 -14.7722 -14.7694 -7.8963 -7.8959 -5.3454 -5.2266 -5.1432 -5.0074 -3.8876 -3.8217 -3.7885 -3.7450 -3.4809 -3.4313 -2.7569 -2.7526 -1.0862 -1.0762 -1.0360 -1.0102 -0.8865 -0.8403 -0.6843 -0.6805 -0.1442 -0.1291 -0.0072 0.0092 0.1978 0.2045 0.2340 0.2451 0.3200 0.3325 0.5758 0.5861 0.8712 0.8737 1.2836 1.2836 1.4598 1.4669 1.4733 1.4828 6.1981 6.1981 8.9930 9.0044 9.4546 9.5629 9.7142 9.8404 10.3551 10.3597 11.8719 11.8746 k = 0.3857 0.2411 0.1760 ( 8848 PWs) bands (ev): -46.3809 -46.3809 -19.2018 -19.2018 -18.4426 -18.4423 -18.2825 -18.2819 -18.2449 -18.2448 -17.8606 -17.8606 -16.6306 -16.6286 -16.5937 -16.5917 -16.0958 -16.0958 -14.7923 -14.7889 -14.7778 -14.7745 -7.9132 -7.9128 -5.3566 -5.2392 -5.1321 -4.9961 -3.8920 -3.8250 -3.8062 -3.7627 -3.4400 -3.3865 -2.7383 -2.7336 -1.1085 -1.0783 -1.0555 -1.0509 -0.9073 -0.8617 -0.6604 -0.6567 -0.1399 -0.1243 0.0097 0.0266 0.1971 0.2045 0.2316 0.2425 0.3234 0.3360 0.5604 0.5706 0.8866 0.8884 1.2888 1.2888 1.4582 1.4666 1.4715 1.4824 6.1743 6.1743 8.9892 9.0004 9.4617 9.5847 9.7289 9.8713 10.3536 10.3594 11.9006 11.9035 k = 0.3714 0.2321 0.1695 ( 8851 PWs) bands (ev): -46.3809 -46.3809 -19.2025 -19.2025 -18.4429 -18.4426 -18.2825 -18.2819 -18.2462 -18.2460 -17.8670 -17.8670 -16.6267 -16.6245 -16.5900 -16.5878 -16.0802 -16.0802 -14.7987 -14.7950 -14.7839 -14.7803 -7.9319 -7.9315 -5.3669 -5.2509 -5.1225 -4.9866 -3.8944 -3.8255 -3.8240 -3.7795 -3.3970 -3.3403 -2.7187 -2.7137 -1.1447 -1.0940 -1.0826 -1.0656 -0.9312 -0.8863 -0.6322 -0.6287 -0.1346 -0.1184 0.0262 0.0435 0.1969 0.2048 0.2300 0.2409 0.3247 0.3373 0.5479 0.5579 0.9002 0.9015 1.2945 1.2945 1.4564 1.4660 1.4694 1.4819 6.1474 6.1474 8.9857 8.9965 9.4717 9.6086 9.7469 9.9047 10.3519 10.3590 11.9313 11.9343 k = 0.3571 0.2232 0.1629 ( 8848 PWs) bands (ev): -46.3809 -46.3809 -19.2032 -19.2032 -18.4432 -18.4429 -18.2825 -18.2818 -18.2475 -18.2473 -17.8738 -17.8738 -16.6224 -16.6201 -16.5860 -16.5835 -16.0634 -16.0634 -14.8057 -14.8017 -14.7906 -14.7867 -7.9523 -7.9518 -5.3761 -5.2614 -5.1143 -4.9789 -3.8962 -3.8459 -3.8189 -3.7936 -3.3522 -3.2930 -2.6984 -2.6931 -1.1874 -1.1391 -1.0893 -1.0737 -0.9576 -0.9136 -0.6001 -0.5967 -0.1285 -0.1118 0.0419 0.0598 0.1975 0.2058 0.2293 0.2402 0.3236 0.3363 0.5387 0.5484 0.9120 0.9127 1.3007 1.3007 1.4543 1.4653 1.4672 1.4812 6.1172 6.1172 8.9829 8.9931 9.4845 9.6346 9.7682 9.9406 10.3499 10.3586 11.9633 11.9663 k = 0.3429 0.2143 0.1564 ( 8812 PWs) bands (ev): -46.3809 -46.3809 -19.2040 -19.2040 -18.4435 -18.4432 -18.2824 -18.2817 -18.2490 -18.2487 -17.8809 -17.8809 -16.6178 -16.6153 -16.5816 -16.5789 -16.0454 -16.0454 -14.8132 -14.8090 -14.7977 -14.7936 -7.9741 -7.9737 -5.3842 -5.2708 -5.1078 -4.9730 -3.8995 -3.8668 -3.8094 -3.8023 -3.3061 -3.2447 -2.6775 -2.6720 -1.2334 -1.1859 -1.0987 -1.0824 -0.9857 -0.9430 -0.5646 -0.5614 -0.1221 -0.1048 0.0569 0.0754 0.1991 0.2075 0.2296 0.2406 0.3202 0.3328 0.5330 0.5423 0.9219 0.9221 1.3073 1.3074 1.4521 1.4644 1.4648 1.4803 6.0840 6.0840 8.9811 8.9905 9.5004 9.6624 9.7927 9.9789 10.3477 10.3583 11.9961 11.9990 k = 0.3286 0.2054 0.1499 ( 8824 PWs) bands (ev): -46.3809 -46.3809 -19.2048 -19.2048 -18.4440 -18.4436 -18.2824 -18.2817 -18.2506 -18.2504 -17.8882 -17.8882 -16.6128 -16.6101 -16.5768 -16.5740 -16.0265 -16.0264 -14.8212 -14.8167 -14.8053 -14.8010 -7.9974 -7.9969 -5.3912 -5.2790 -5.1029 -4.9691 -3.9069 -3.8879 -3.8031 -3.7959 -3.2588 -3.1957 -2.6564 -2.6507 -1.2818 -1.2344 -1.1108 -1.0926 -1.0150 -0.9743 -0.5264 -0.5233 -0.1155 -0.0977 0.0708 0.0899 0.2018 0.2102 0.2308 0.2420 0.3146 0.3270 0.5305 0.5394 0.9295 0.9298 1.3143 1.3144 1.4496 1.4622 1.4633 1.4791 6.0478 6.0478 8.9804 8.9890 9.5192 9.6918 9.8205 10.0195 10.3453 10.3581 12.0291 12.0317 k = 0.3143 0.1964 0.1434 ( 8839 PWs) bands (ev): -46.3809 -46.3809 -19.2057 -19.2057 -18.4444 -18.4440 -18.2824 -18.2817 -18.2524 -18.2522 -17.8957 -17.8957 -16.6076 -16.6047 -16.5718 -16.5688 -16.0067 -16.0067 -14.8296 -14.8249 -14.8133 -14.8088 -8.0217 -8.0212 -5.3970 -5.2860 -5.0998 -4.9672 -3.9188 -3.9089 -3.7952 -3.7783 -3.2106 -3.1461 -2.6352 -2.6292 -1.3319 -1.2841 -1.1260 -1.1041 -1.0445 -1.0071 -0.4862 -0.4833 -0.1091 -0.0908 0.0835 0.1034 0.2060 0.2144 0.2331 0.2445 0.3076 0.3196 0.5308 0.5394 0.9350 0.9358 1.3215 1.3217 1.4470 1.4594 1.4619 1.4776 6.0087 6.0088 8.9810 8.9887 9.5410 9.7225 9.8516 10.0623 10.3428 10.3584 12.0619 12.0640 k = 0.3000 0.1875 0.1369 ( 8854 PWs) bands (ev): -46.3809 -46.3809 -19.2066 -19.2066 -18.4449 -18.4445 -18.2824 -18.2817 -18.2543 -18.2541 -17.9032 -17.9032 -16.6021 -16.5991 -16.5665 -16.5634 -15.9863 -15.9863 -14.8384 -14.8335 -14.8217 -14.8169 -8.0470 -8.0465 -5.4017 -5.2919 -5.0982 -4.9671 -3.9341 -3.9296 -3.7799 -3.7568 -3.1617 -3.0962 -2.6139 -2.6078 -1.3835 -1.3349 -1.1449 -1.1171 -1.0730 -1.0410 -0.4449 -0.4422 -0.1029 -0.0841 0.0946 0.1154 0.2120 0.2203 0.2366 0.2480 0.2999 0.3112 0.5333 0.5417 0.9385 0.9397 1.3291 1.3292 1.4441 1.4564 1.4601 1.4758 5.9670 5.9671 8.9831 8.9900 9.5655 9.7543 9.8858 10.1072 10.3402 10.3592 12.0939 12.0951 k = 0.2857 0.1786 0.1304 ( 8848 PWs) bands (ev): -46.3809 -46.3809 -19.2076 -19.2076 -18.4454 -18.4450 -18.2824 -18.2816 -18.2563 -18.2560 -17.9106 -17.9106 -16.5963 -16.5932 -16.5610 -16.5578 -15.9655 -15.9654 -14.8474 -14.8424 -14.8303 -14.8254 -8.0731 -8.0726 -5.4052 -5.2965 -5.0982 -4.9687 -3.9510 -3.9497 -3.7587 -3.7316 -3.1123 -3.0461 -2.5928 -2.5866 -1.4361 -1.3866 -1.1682 -1.1312 -1.0996 -1.0758 -0.4034 -0.4010 -0.0971 -0.0779 0.1039 0.1257 0.2200 0.2284 0.2414 0.2526 0.2926 0.3029 0.5375 0.5457 0.9401 0.9417 1.3368 1.3370 1.4411 1.4533 1.4582 1.4737 5.9229 5.9230 8.9868 8.9929 9.5926 9.7866 9.9232 10.1541 10.3377 10.3608 12.1242 12.1243 k = 0.2714 0.1696 0.1238 ( 8845 PWs) bands (ev): -46.3809 -46.3809 -19.2086 -19.2086 -18.4459 -18.4455 -18.2824 -18.2816 -18.2584 -18.2581 -17.9180 -17.9180 -16.5903 -16.5872 -16.5554 -16.5521 -15.9443 -15.9442 -14.8567 -14.8516 -14.8391 -14.8341 -8.0996 -8.0991 -5.4075 -5.2999 -5.0998 -4.9720 -3.9692 -3.9685 -3.7328 -3.7029 -3.0628 -2.9961 -2.5718 -2.5655 -1.4897 -1.4388 -1.1958 -1.1463 -1.1236 -1.1113 -0.3629 -0.3607 -0.0917 -0.0721 0.1110 0.1338 0.2301 0.2393 0.2482 0.2581 0.2865 0.2955 0.5428 0.5508 0.9398 0.9417 1.3446 1.3448 1.4380 1.4501 1.4559 1.4714 5.8767 5.8768 8.9922 8.9976 9.6221 9.8189 9.9636 10.2029 10.3354 10.3637 12.1494 12.1521 k = 0.2571 0.1607 0.1173 ( 8848 PWs) bands (ev): -46.3809 -46.3809 -19.2096 -19.2095 -18.4465 -18.4460 -18.2823 -18.2815 -18.2605 -18.2602 -17.9252 -17.9251 -16.5843 -16.5810 -16.5496 -16.5462 -15.9230 -15.9229 -14.8661 -14.8609 -14.8481 -14.8430 -8.1265 -8.1260 -5.4087 -5.3021 -5.1027 -4.9768 -3.9879 -3.9860 -3.7029 -3.6709 -3.0133 -2.9466 -2.5512 -2.5448 -1.5438 -1.4913 -1.2271 -1.1623 -1.1473 -1.1455 -0.3242 -0.3223 -0.0868 -0.0669 0.1154 0.1392 0.2412 0.2532 0.2582 0.2645 0.2826 0.2901 0.5488 0.5567 0.9376 0.9398 1.3525 1.3528 1.4347 1.4467 1.4532 1.4686 5.8286 5.8287 8.9993 9.0040 9.6536 9.8507 10.0071 10.2535 10.3336 10.3682 12.1668 12.1749 k = 0.2429 0.1518 0.1108 ( 8812 PWs) bands (ev): -46.3809 -46.3809 -19.2105 -19.2105 -18.4470 -18.4466 -18.2823 -18.2815 -18.2626 -18.2623 -17.9321 -17.9321 -16.5781 -16.5748 -16.5436 -16.5403 -15.9017 -15.9017 -14.8756 -14.8704 -14.8571 -14.8520 -8.1535 -8.1530 -5.4088 -5.3031 -5.1069 -4.9830 -4.0057 -4.0031 -3.6696 -3.6360 -2.9641 -2.8977 -2.5308 -2.5243 -1.5981 -1.5437 -1.2609 -1.1836 -1.1789 -1.1659 -0.2883 -0.2868 -0.0823 -0.0621 0.1169 0.1414 0.2517 0.2700 0.2717 0.2737 0.2825 0.2875 0.5553 0.5630 0.9335 0.9361 1.3603 1.3607 1.4314 1.4433 1.4503 1.4657 5.7791 5.7793 9.0080 9.0121 9.6868 9.8813 10.0534 10.3056 10.3326 10.3750 12.1687 12.1861 k = 0.2286 0.1429 0.1043 ( 8794 PWs) bands (ev): -46.3809 -46.3809 -19.2115 -19.2115 -18.4476 -18.4471 -18.2822 -18.2814 -18.2649 -18.2646 -17.9387 -17.9387 -16.5718 -16.5686 -16.5377 -16.5343 -15.8806 -15.8806 -14.8851 -14.8799 -14.8661 -14.8611 -8.1803 -8.1798 -5.4078 -5.3030 -5.1123 -4.9903 -4.0226 -4.0195 -3.6332 -3.5984 -2.9156 -2.8500 -2.5109 -2.5044 -1.6523 -1.5956 -1.2963 -1.2202 -1.1960 -1.1856 -0.2561 -0.2549 -0.0782 -0.0578 0.1153 0.1404 0.2611 0.2793 0.2801 0.2881 0.2951 0.2961 0.5619 0.5695 0.9277 0.9305 1.3681 1.3685 1.4279 1.4399 1.4471 1.4624 5.7286 5.7287 9.0183 9.0217 9.7210 9.9099 10.1026 10.3328 10.3593 10.3845 12.1492 12.1749 k = 0.2143 0.1339 0.0978 ( 8788 PWs) bands (ev): -46.3809 -46.3809 -19.2125 -19.2125 -18.4482 -18.4477 -18.2822 -18.2814 -18.2671 -18.2668 -17.9451 -17.9451 -16.5656 -16.5623 -16.5317 -16.5284 -15.8599 -15.8599 -14.8945 -14.8893 -14.8751 -14.8701 -8.2068 -8.2064 -5.4057 -5.3017 -5.1188 -4.9987 -4.0385 -4.0352 -3.5940 -3.5584 -2.8682 -2.8038 -2.4914 -2.4850 -1.7061 -1.6467 -1.3328 -1.2570 -1.2134 -1.2048 -0.2281 -0.2273 -0.0743 -0.0539 0.1111 0.1363 0.2702 0.2849 0.2869 0.2923 0.3217 0.3218 0.5685 0.5760 0.9202 0.9232 1.3758 1.3763 1.4245 1.4364 1.4437 1.4588 5.6774 5.6776 9.0299 9.0329 9.7559 9.9358 10.1545 10.3346 10.3974 10.4143 12.1148 12.1413 k = 0.2000 0.1250 0.0913 ( 8794 PWs) bands (ev): -46.3809 -46.3809 -19.2135 -19.2135 -18.4488 -18.4484 -18.2822 -18.2814 -18.2694 -18.2691 -17.9510 -17.9510 -16.5594 -16.5562 -16.5258 -16.5225 -15.8397 -15.8397 -14.9037 -14.8987 -14.8839 -14.8790 -8.2328 -8.2323 -5.4026 -5.2994 -5.1262 -5.0081 -4.0534 -4.0500 -3.5525 -3.5161 -2.8223 -2.7598 -2.4725 -2.4662 -1.7588 -1.6964 -1.3699 -1.2938 -1.2309 -1.2236 -0.2046 -0.2041 -0.0708 -0.0504 0.1047 0.1298 0.2795 0.2913 0.2943 0.2996 0.3523 0.3527 0.5750 0.5823 0.9110 0.9142 1.3833 1.3837 1.4211 1.4329 1.4400 1.4551 5.6260 5.6262 9.0428 9.0452 9.7905 9.9582 10.2089 10.3386 10.4142 10.4705 12.0731 12.0959 k = 0.1857 0.1161 0.0847 ( 8800 PWs) bands (ev): -46.3809 -46.3809 -19.2145 -19.2145 -18.4494 -18.4491 -18.2821 -18.2814 -18.2717 -18.2714 -17.9566 -17.9566 -16.5533 -16.5502 -16.5200 -16.5168 -15.8202 -15.8202 -14.9128 -14.9079 -14.8925 -14.8877 -8.2580 -8.2576 -5.3986 -5.2961 -5.1345 -5.0182 -4.0673 -4.0639 -3.5088 -3.4719 -2.7786 -2.7187 -2.4542 -2.4481 -1.8099 -1.7439 -1.4075 -1.3306 -1.2484 -1.2421 -0.1853 -0.1851 -0.0674 -0.0470 0.0968 0.1216 0.2890 0.2991 0.3026 0.3085 0.3865 0.3871 0.5815 0.5885 0.9002 0.9037 1.3905 1.3910 1.4177 1.4296 1.4362 1.4512 5.5750 5.5752 9.0567 9.0587 9.8241 9.9767 10.2657 10.3454 10.4352 10.5276 12.0279 12.0449 k = 0.1714 0.1071 0.0782 ( 8815 PWs) bands (ev): -46.3809 -46.3809 -19.2154 -19.2154 -18.4501 -18.4497 -18.2821 -18.2814 -18.2739 -18.2736 -17.9618 -17.9618 -16.5474 -16.5444 -16.5144 -16.5113 -15.8015 -15.8014 -14.9215 -14.9168 -14.9008 -14.8962 -8.2823 -8.2819 -5.3936 -5.2917 -5.1435 -5.0290 -4.0800 -4.0768 -3.4631 -3.4260 -2.7379 -2.6813 -2.4366 -2.4309 -1.8585 -1.7885 -1.4453 -1.3675 -1.2656 -1.2601 -0.1701 -0.1700 -0.0641 -0.0439 0.0879 0.1122 0.2986 0.3080 0.3117 0.3178 0.4233 0.4242 0.5877 0.5945 0.8881 0.8918 1.3973 1.3978 1.4145 1.4263 1.4323 1.4472 5.5247 5.5249 9.0713 9.0729 9.8558 9.9912 10.3248 10.3560 10.4602 10.5855 11.9807 11.9909 k = 0.1571 0.0982 0.0717 ( 8833 PWs) bands (ev): -46.3809 -46.3809 -19.2163 -19.2163 -18.4507 -18.4504 -18.2821 -18.2814 -18.2761 -18.2758 -17.9666 -17.9666 -16.5416 -16.5388 -16.5089 -16.5059 -15.7837 -15.7836 -14.9298 -14.9253 -14.9087 -14.9043 -8.3054 -8.3050 -5.3877 -5.2863 -5.1532 -5.0404 -4.0917 -4.0886 -3.4158 -3.3785 -2.7010 -2.6487 -2.4199 -2.4148 -1.9037 -1.8290 -1.4832 -1.4043 -1.2824 -1.2776 -0.1585 -0.1580 -0.0608 -0.0409 0.0784 0.1023 0.3084 0.3176 0.3216 0.3274 0.4618 0.4629 0.5940 0.6004 0.8747 0.8786 1.4038 1.4039 1.4119 1.4232 1.4284 1.4431 5.4758 5.4760 9.0865 9.0877 9.8847 10.0017 10.3710 10.3860 10.4891 10.6440 11.9324 11.9351 k = 0.1429 0.0893 0.0652 ( 8818 PWs) bands (ev): -46.3809 -46.3809 -19.2171 -19.2171 -18.4513 -18.4510 -18.2820 -18.2814 -18.2780 -18.2778 -17.9710 -17.9710 -16.5362 -16.5335 -16.5037 -16.5009 -15.7670 -15.7669 -14.9377 -14.9334 -14.9162 -14.9121 -8.3272 -8.3268 -5.3810 -5.2801 -5.1634 -5.0522 -4.1024 -4.0994 -3.3669 -3.3298 -2.6694 -2.6221 -2.4039 -2.3998 -1.9439 -1.8641 -1.5213 -1.4409 -1.2985 -1.2944 -0.1497 -0.1489 -0.0575 -0.0378 0.0687 0.0921 0.3181 0.3275 0.3318 0.3370 0.5010 0.5022 0.6002 0.6062 0.8602 0.8642 1.4064 1.4098 1.4126 1.4203 1.4247 1.4391 5.4288 5.4290 9.1018 9.1028 9.9099 10.0086 10.3910 10.4490 10.5210 10.7027 11.8785 11.8837 k = 0.1286 0.0804 0.0587 ( 8809 PWs) bands (ev): -46.3809 -46.3809 -19.2179 -19.2179 -18.4519 -18.4516 -18.2820 -18.2814 -18.2799 -18.2797 -17.9749 -17.9749 -16.5310 -16.5285 -16.4988 -16.4962 -15.7514 -15.7514 -14.9450 -14.9411 -14.9232 -14.9194 -8.3475 -8.3471 -5.3735 -5.2730 -5.1741 -5.0644 -4.1119 -4.1092 -3.3168 -3.2799 -2.6446 -2.6032 -2.3890 -2.3863 -1.9775 -1.8925 -1.5593 -1.4776 -1.3139 -1.3103 -0.1430 -0.1421 -0.0542 -0.0346 0.0590 0.0819 0.3276 0.3374 0.3421 0.3465 0.5396 0.5410 0.6066 0.6120 0.8448 0.8489 1.4046 1.4146 1.4175 1.4177 1.4219 1.4351 5.3841 5.3843 9.1170 9.1178 9.9310 10.0125 10.4163 10.5136 10.5550 10.7614 11.8219 11.8349 k = 0.1143 0.0714 0.0521 ( 8815 PWs) bands (ev): -46.3809 -46.3809 -19.2186 -19.2186 -18.4524 -18.4522 -18.2819 -18.2817 -18.2815 -18.2814 -17.9784 -17.9784 -16.5262 -16.5239 -16.4942 -16.4918 -15.7372 -15.7372 -14.9517 -14.9482 -14.9296 -14.9261 -8.3661 -8.3658 -5.3652 -5.2651 -5.1852 -5.0770 -4.1204 -4.1180 -3.2656 -3.2291 -2.6286 -2.5933 -2.3752 -2.3741 -2.0027 -1.9126 -1.5974 -1.5141 -1.3283 -1.3252 -0.1382 -0.1371 -0.0507 -0.0314 0.0494 0.0718 0.3369 0.3470 0.3521 0.3558 0.5768 0.5783 0.6135 0.6181 0.8285 0.8326 1.4024 1.4149 1.4154 1.4226 1.4231 1.4313 5.3424 5.3425 9.1319 9.1324 9.9478 10.0138 10.4467 10.5796 10.5900 10.8196 11.7662 11.7865 k = 0.1000 0.0625 0.0456 ( 8815 PWs) bands (ev): -46.3809 -46.3809 -19.2192 -19.2192 -18.4529 -18.4527 -18.2833 -18.2831 -18.2819 -18.2814 -17.9815 -17.9815 -16.5219 -16.5198 -16.4900 -16.4879 -15.7244 -15.7244 -14.9578 -14.9546 -14.9354 -14.9322 -8.3828 -8.3826 -5.3564 -5.2564 -5.1967 -5.0897 -4.1279 -4.1257 -3.2135 -3.1776 -2.6231 -2.5933 -2.3633 -2.3627 -2.0181 -1.9236 -1.6354 -1.5505 -1.3416 -1.3389 -0.1346 -0.1335 -0.0471 -0.0279 0.0400 0.0620 0.3457 0.3560 0.3616 0.3647 0.6109 0.6133 0.6216 0.6245 0.8117 0.8158 1.4003 1.4121 1.4134 1.4271 1.4273 1.4276 5.3041 5.3042 9.1459 9.1462 9.9607 10.0134 10.4815 10.6249 10.6465 10.8767 11.7123 11.7392 k = 0.0857 0.0536 0.0391 ( 8815 PWs) bands (ev): -46.3809 -46.3809 -19.2198 -19.2198 -18.4534 -18.4532 -18.2848 -18.2846 -18.2818 -18.2814 -17.9842 -17.9842 -16.5180 -16.5161 -16.4863 -16.4844 -15.7132 -15.7131 -14.9632 -14.9604 -14.9405 -14.9377 -8.3976 -8.3974 -5.3469 -5.2470 -5.2084 -5.1026 -4.1343 -4.1324 -3.1607 -3.1256 -2.6292 -2.6035 -2.3535 -2.3515 -2.0228 -1.9252 -1.6733 -1.5868 -1.3535 -1.3512 -0.1321 -0.1310 -0.0433 -0.0242 0.0310 0.0526 0.3541 0.3641 0.3702 0.3731 0.6273 0.6315 0.6450 0.6453 0.7944 0.7985 1.3985 1.4090 1.4117 1.4241 1.4312 1.4315 5.2697 5.2698 9.1589 9.1591 9.9701 10.0115 10.5197 10.6580 10.7140 10.9319 11.6614 11.6933 k = 0.0714 0.0446 0.0326 ( 8839 PWs) bands (ev): -46.3809 -46.3809 -19.2203 -19.2203 -18.4538 -18.4537 -18.2861 -18.2859 -18.2818 -18.2814 -17.9864 -17.9864 -16.5145 -16.5130 -16.4830 -16.4815 -15.7035 -15.7035 -14.9678 -14.9654 -14.9448 -14.9425 -8.4104 -8.4102 -5.3368 -5.2371 -5.2203 -5.1156 -4.1397 -4.1381 -3.1075 -3.0734 -2.6466 -2.6233 -2.3446 -2.3419 -2.0173 -1.9180 -1.7112 -1.6230 -1.3639 -1.3620 -0.1303 -0.1293 -0.0393 -0.0202 0.0223 0.0436 0.3617 0.3712 0.3778 0.3807 0.6363 0.6393 0.6729 0.6734 0.7770 0.7810 1.3971 1.4060 1.4104 1.4209 1.4347 1.4351 5.2397 5.2398 9.1705 9.1706 9.9769 10.0088 10.5598 10.6879 10.7814 10.9836 11.6149 11.6498 k = 0.0571 0.0357 0.0261 ( 8834 PWs) bands (ev): -46.3809 -46.3809 -19.2207 -19.2207 -18.4542 -18.4540 -18.2871 -18.2869 -18.2817 -18.2815 -17.9883 -17.9883 -16.5117 -16.5104 -16.4803 -16.4790 -15.6954 -15.6954 -14.9715 -14.9696 -14.9484 -14.9465 -8.4210 -8.4208 -5.3263 -5.2324 -5.2265 -5.1286 -4.1440 -4.1427 -3.0541 -3.0211 -2.6740 -2.6514 -2.3368 -2.3339 -2.0031 -1.9032 -1.7487 -1.6588 -1.3727 -1.3711 -0.1291 -0.1282 -0.0350 -0.0159 0.0142 0.0350 0.3685 0.3769 0.3844 0.3872 0.6461 0.6481 0.6969 0.6972 0.7596 0.7634 1.3961 1.4033 1.4095 1.4181 1.4378 1.4381 5.2145 5.2146 9.1805 9.1805 9.9818 10.0057 10.6002 10.7126 10.8480 11.0298 11.5747 11.6096 k = 0.0429 0.0268 0.0196 ( 8804 PWs) bands (ev): -46.3809 -46.3809 -19.2210 -19.2210 -18.4544 -18.4543 -18.2878 -18.2877 -18.2817 -18.2815 -17.9897 -17.9897 -16.5094 -16.5084 -16.4781 -16.4771 -15.6891 -15.6891 -14.9744 -14.9730 -14.9512 -14.9497 -8.4293 -8.4291 -5.3154 -5.2445 -5.2154 -5.1416 -4.1474 -4.1464 -3.0007 -2.9689 -2.7093 -2.6863 -2.3301 -2.3276 -1.9820 -1.8823 -1.7859 -1.6943 -1.3796 -1.3784 -0.1281 -0.1274 -0.0303 -0.0111 0.0064 0.0270 0.3743 0.3812 0.3899 0.3924 0.6571 0.6580 0.7161 0.7162 0.7426 0.7463 1.3955 1.4010 1.4091 1.4156 1.4402 1.4405 5.1946 5.1947 9.1885 9.1886 9.9853 10.0024 10.6391 10.7303 10.9125 11.0666 11.5426 11.5670 k = 0.0286 0.0179 0.0130 ( 8786 PWs) bands (ev): -46.3809 -46.3809 -19.2213 -19.2213 -18.4545 -18.4545 -18.2883 -18.2883 -18.2816 -18.2815 -17.9907 -17.9907 -16.5076 -16.5070 -16.4764 -16.4758 -15.6846 -15.6846 -14.9765 -14.9755 -14.9531 -14.9521 -8.4352 -8.4351 -5.3041 -5.2566 -5.2039 -5.1545 -4.1497 -4.1490 -2.9478 -2.9174 -2.7506 -2.7265 -2.3250 -2.3232 -1.9556 -1.8567 -1.8225 -1.7293 -1.3845 -1.3838 -0.1275 -0.1271 -0.0253 -0.0060 -0.0008 0.0194 0.3790 0.3840 0.3942 0.3960 0.6692 0.6692 0.7260 0.7264 0.7301 0.7330 1.3953 1.3990 1.4091 1.4135 1.4420 1.4422 5.1801 5.1802 9.1944 9.1945 9.9882 9.9991 10.6745 10.7390 10.9730 11.0884 11.5205 11.5320 k = 0.0143 0.0089 0.0065 ( 8780 PWs) bands (ev): -46.3809 -46.3809 -19.2214 -19.2214 -18.4546 -18.4546 -18.2887 -18.2886 -18.2815 -18.2815 -17.9913 -17.9913 -16.5065 -16.5062 -16.4754 -16.4750 -15.6818 -15.6818 -14.9776 -14.9771 -14.9542 -14.9537 -8.4388 -8.4388 -5.2925 -5.2687 -5.1920 -5.1672 -4.1510 -4.1507 -2.8957 -2.8668 -2.7962 -2.7706 -2.3217 -2.3207 -1.9256 -1.8583 -1.8278 -1.7635 -1.3875 -1.3871 -0.1272 -0.1269 -0.0198 -0.0076 -0.0003 0.0123 0.3825 0.3850 0.3970 0.3980 0.6817 0.6825 0.7102 0.7122 0.7387 0.7392 1.3956 1.3974 1.4095 1.4117 1.4431 1.4432 5.1713 5.1714 9.1981 9.1981 9.9908 9.9961 10.7040 10.7376 11.0263 11.0893 11.5097 11.5176 k = 0.0000 0.0000 0.0000 ( 8777 PWs) bands (ev): -46.3809 -46.3809 -19.2215 -19.2215 -18.4546 -18.4546 -18.2888 -18.2888 -18.2815 -18.2815 -17.9915 -17.9915 -16.5061 -16.5061 -16.4749 -16.4749 -15.6809 -15.6809 -14.9778 -14.9778 -14.9544 -14.9544 -8.4400 -8.4400 -5.2807 -5.2807 -5.1797 -5.1797 -4.1513 -4.1513 -2.8449 -2.8449 -2.8177 -2.8177 -2.3202 -2.3202 -1.8928 -1.8928 -1.7965 -1.7965 -1.3883 -1.3883 -0.1269 -0.1269 -0.0140 -0.0140 0.0058 0.0058 0.3845 0.3845 0.3983 0.3983 0.6954 0.6954 0.6969 0.6969 0.7417 0.7417 1.3963 1.3963 1.4104 1.4104 1.4435 1.4435 5.1684 5.1684 9.1993 9.1993 9.9933 9.9933 10.7256 10.7256 11.0672 11.0672 11.5106 11.5106 k = 0.0000 0.0000 0.0000 ( 8777 PWs) bands (ev): -46.3809 -46.3809 -19.2215 -19.2215 -18.4546 -18.4546 -18.2888 -18.2888 -18.2815 -18.2815 -17.9915 -17.9915 -16.5061 -16.5061 -16.4749 -16.4749 -15.6809 -15.6809 -14.9778 -14.9778 -14.9544 -14.9544 -8.4400 -8.4400 -5.2807 -5.2807 -5.1797 -5.1797 -4.1513 -4.1513 -2.8449 -2.8449 -2.8177 -2.8177 -2.3202 -2.3202 -1.8928 -1.8928 -1.7965 -1.7965 -1.3883 -1.3883 -0.1269 -0.1269 -0.0140 -0.0140 0.0058 0.0058 0.3845 0.3845 0.3983 0.3983 0.6954 0.6954 0.6969 0.6969 0.7417 0.7417 1.3963 1.3963 1.4104 1.4104 1.4435 1.4435 5.1684 5.1684 9.1993 9.1993 9.9933 9.9933 10.7256 10.7256 11.0672 11.0672 11.5106 11.5106 k = 0.0096-0.0047-0.0146 ( 8783 PWs) bands (ev): -46.3809 -46.3809 -19.2213 -19.2212 -18.4561 -18.4533 -18.2912 -18.2873 -18.2812 -18.2810 -17.9924 -17.9909 -16.5066 -16.5055 -16.4749 -16.4749 -15.6821 -15.6803 -14.9781 -14.9773 -14.9543 -14.9543 -8.4400 -8.4398 -5.2810 -5.2790 -5.1790 -5.1790 -4.1537 -4.1497 -2.8471 -2.8442 -2.8183 -2.8183 -2.3251 -2.3173 -1.8958 -1.8883 -1.7958 -1.7958 -1.3889 -1.3879 -0.1275 -0.1261 -0.0148 -0.0129 0.0059 0.0059 0.3836 0.3840 0.3975 0.3976 0.6941 0.6947 0.6963 0.6971 0.7420 0.7438 1.3952 1.3964 1.4099 1.4099 1.4436 1.4444 5.1705 5.1711 9.1951 9.2015 9.9871 10.0013 10.7178 10.7317 11.0642 11.0643 11.5088 11.5110 k = 0.0192-0.0093-0.0292 ( 8795 PWs) bands (ev): -46.3809 -46.3809 -19.2207 -19.2205 -18.4576 -18.4520 -18.2942 -18.2870 -18.2807 -18.2795 -17.9938 -17.9906 -16.5071 -16.5049 -16.4749 -16.4747 -15.6838 -15.6803 -14.9781 -14.9765 -14.9539 -14.9539 -8.4398 -8.4393 -5.2799 -5.2759 -5.1768 -5.1767 -4.1567 -4.1489 -2.8508 -2.8450 -2.8203 -2.8201 -2.3318 -2.3164 -1.8969 -1.8824 -1.7938 -1.7934 -1.3895 -1.3875 -0.1277 -0.1251 -0.0155 -0.0117 0.0061 0.0065 0.3809 0.3818 0.3955 0.3956 0.6899 0.6917 0.6963 0.6971 0.7445 0.7476 1.3930 1.3955 1.4084 1.4089 1.4447 1.4461 5.1774 5.1786 9.1890 9.2017 9.9829 10.0110 10.7083 10.7360 11.0553 11.0560 11.5050 11.5120 k = 0.0287-0.0140-0.0438 ( 8795 PWs) bands (ev): -46.3809 -46.3809 -19.2196 -19.2195 -18.4591 -18.4508 -18.2974 -18.2875 -18.2800 -18.2774 -17.9954 -17.9907 -16.5076 -16.5043 -16.4748 -16.4741 -15.6860 -15.6808 -14.9779 -14.9756 -14.9534 -14.9533 -8.4393 -8.4386 -5.2774 -5.2715 -5.1732 -5.1728 -4.1605 -4.1488 -2.8560 -2.8472 -2.8236 -2.8230 -2.3400 -2.3176 -1.8964 -1.8756 -1.7904 -1.7890 -1.3902 -1.3873 -0.1276 -0.1239 -0.0159 -0.0104 0.0063 0.0077 0.3761 0.3774 0.3929 0.3931 0.6842 0.6866 0.6965 0.6973 0.7484 0.7526 1.3894 1.3932 1.4069 1.4079 1.4466 1.4482 5.1890 5.1909 9.1811 9.1997 9.9806 10.0222 10.6971 10.7382 11.0413 11.0434 11.4996 11.5148 k = 0.0383-0.0187-0.0584 ( 8797 PWs) bands (ev): -46.3809 -46.3809 -19.2182 -19.2179 -18.4607 -18.4497 -18.3008 -18.2884 -18.2793 -18.2751 -17.9974 -17.9911 -16.5084 -16.5038 -16.4747 -16.4732 -15.6888 -15.6819 -14.9775 -14.9744 -14.9527 -14.9525 -8.4385 -8.4376 -5.2737 -5.2660 -5.1680 -5.1672 -4.1650 -4.1495 -2.8628 -2.8508 -2.8281 -2.8268 -2.3493 -2.3206 -1.8946 -1.8686 -1.7856 -1.7825 -1.3910 -1.3871 -0.1273 -0.1227 -0.0164 -0.0092 0.0066 0.0097 0.3690 0.3705 0.3903 0.3906 0.6774 0.6802 0.6967 0.6977 0.7532 0.7581 1.3845 1.3890 1.4059 1.4074 1.4488 1.4506 5.2052 5.2077 9.1717 9.1957 9.9804 10.0345 10.6839 10.7379 11.0231 11.0279 11.4931 11.5184 k = 0.0479-0.0234-0.0730 ( 8807 PWs) bands (ev): -46.3809 -46.3809 -19.2163 -19.2160 -18.4623 -18.4487 -18.3044 -18.2894 -18.2786 -18.2728 -17.9996 -17.9919 -16.5096 -16.5034 -16.4744 -16.4716 -15.6921 -15.6836 -14.9769 -14.9732 -14.9517 -14.9513 -8.4375 -8.4363 -5.2689 -5.2596 -5.1614 -5.1597 -4.1701 -4.1510 -2.8713 -2.8559 -2.8339 -2.8314 -2.3594 -2.3253 -1.8918 -1.8619 -1.7793 -1.7734 -1.3918 -1.3871 -0.1268 -0.1216 -0.0171 -0.0081 0.0070 0.0125 0.3597 0.3615 0.3877 0.3881 0.6700 0.6730 0.6968 0.6979 0.7584 0.7637 1.3784 1.3834 1.4056 1.4073 1.4512 1.4530 5.2258 5.2288 9.1608 9.1895 9.9822 10.0479 10.6685 10.7345 11.0021 11.0108 11.4857 11.5203 k = 0.0575-0.0280-0.0876 ( 8809 PWs) bands (ev): -46.3809 -46.3809 -19.2141 -19.2137 -18.4640 -18.4477 -18.3081 -18.2905 -18.2779 -18.2706 -18.0021 -17.9929 -16.5112 -16.5034 -16.4738 -16.4694 -15.6959 -15.6859 -14.9760 -14.9718 -14.9505 -14.9498 -8.4362 -8.4348 -5.2632 -5.2522 -5.1532 -5.1503 -4.1760 -4.1532 -2.8814 -2.8624 -2.8409 -2.8367 -2.3700 -2.3313 -1.8886 -1.8558 -1.7712 -1.7620 -1.3926 -1.3872 -0.1262 -0.1207 -0.0183 -0.0073 0.0078 0.0161 0.3488 0.3508 0.3850 0.3856 0.6621 0.6653 0.6967 0.6979 0.7636 0.7694 1.3715 1.3767 1.4057 1.4077 1.4536 1.4554 5.2505 5.2540 9.1487 9.1814 9.9858 10.0618 10.6510 10.7274 10.9798 10.9934 11.4771 11.5191 k = 0.0671-0.0327-0.1022 ( 8815 PWs) bands (ev): -46.3809 -46.3809 -19.2115 -19.2111 -18.4658 -18.4469 -18.3119 -18.2917 -18.2772 -18.2684 -18.0048 -17.9942 -16.5135 -16.5038 -16.4727 -16.4665 -15.7003 -15.6887 -14.9750 -14.9704 -14.9490 -14.9479 -8.4346 -8.4330 -5.2567 -5.2443 -5.1434 -5.1388 -4.1826 -4.1564 -2.8931 -2.8703 -2.8490 -2.8426 -2.3807 -2.3384 -1.8853 -1.8503 -1.7616 -1.7484 -1.3935 -1.3874 -0.1259 -0.1204 -0.0199 -0.0072 0.0096 0.0202 0.3368 0.3391 0.3823 0.3831 0.6538 0.6571 0.6963 0.6975 0.7688 0.7749 1.3639 1.3693 1.4061 1.4084 1.4560 1.4576 5.2790 5.2831 9.1356 9.1716 9.9910 10.0759 10.6312 10.7161 10.9576 10.9767 11.4671 11.5148 k = 0.0766-0.0374-0.1168 ( 8813 PWs) bands (ev): -46.3809 -46.3809 -19.2085 -19.2080 -18.4676 -18.4461 -18.3158 -18.2930 -18.2765 -18.2664 -18.0078 -17.9958 -16.5163 -16.5047 -16.4711 -16.4629 -15.7051 -15.6921 -14.9738 -14.9690 -14.9472 -14.9456 -8.4327 -8.4309 -5.2496 -5.2358 -5.1319 -5.1253 -4.1899 -4.1604 -2.9063 -2.8794 -2.8581 -2.8492 -2.3915 -2.3461 -1.8821 -1.8453 -1.7504 -1.7333 -1.3943 -1.3876 -0.1259 -0.1208 -0.0219 -0.0083 0.0125 0.0248 0.3242 0.3268 0.3794 0.3804 0.6452 0.6487 0.6955 0.6969 0.7738 0.7801 1.3561 1.3615 1.4068 1.4093 1.4582 1.4597 5.3110 5.3155 9.1217 9.1601 9.9975 10.0896 10.6097 10.7002 10.9366 10.9617 11.4557 11.5079 k = 0.0862-0.0420-0.1314 ( 8809 PWs) bands (ev): -46.3809 -46.3809 -19.2053 -19.2047 -18.4694 -18.4454 -18.3197 -18.2942 -18.2759 -18.2645 -18.0108 -17.9975 -16.5196 -16.5062 -16.4689 -16.4587 -15.7105 -15.6961 -14.9725 -14.9675 -14.9451 -14.9429 -8.4305 -8.4284 -5.2422 -5.2269 -5.1187 -5.1097 -4.1978 -4.1652 -2.9209 -2.8898 -2.8681 -2.8562 -2.4020 -2.3542 -1.8789 -1.8407 -1.7380 -1.7171 -1.3950 -1.3877 -0.1269 -0.1222 -0.0244 -0.0104 0.0166 0.0299 0.3116 0.3145 0.3765 0.3776 0.6365 0.6401 0.6943 0.6957 0.7784 0.7849 1.3480 1.3536 1.4077 1.4106 1.4603 1.4617 5.3461 5.3511 9.1071 9.1473 10.0047 10.1021 10.5870 10.6801 10.9178 10.9485 11.4427 11.4987 k = 0.0958-0.0467-0.1460 ( 8811 PWs) bands (ev): -46.3809 -46.3809 -19.2017 -19.2011 -18.4713 -18.4449 -18.3237 -18.2955 -18.2753 -18.2627 -18.0139 -17.9994 -16.5235 -16.5083 -16.4660 -16.4540 -15.7163 -15.7007 -14.9711 -14.9661 -14.9426 -14.9398 -8.4278 -8.4255 -5.2345 -5.2177 -5.1039 -5.0923 -4.2064 -4.1710 -2.9368 -2.9015 -2.8787 -2.8638 -2.4121 -2.3626 -1.8758 -1.8363 -1.7249 -1.7005 -1.3954 -1.3876 -0.1293 -0.1247 -0.0271 -0.0132 0.0215 0.0352 0.2993 0.3026 0.3734 0.3747 0.6276 0.6314 0.6926 0.6942 0.7827 0.7892 1.3400 1.3456 1.4089 1.4121 1.4622 1.4635 5.3840 5.3894 9.0921 9.1335 10.0120 10.1126 10.5642 10.6565 10.9014 10.9372 11.4280 11.4874 k = 0.1054-0.0514-0.1606 ( 8809 PWs) bands (ev): -46.3809 -46.3809 -19.1978 -19.1971 -18.4731 -18.4445 -18.3278 -18.2968 -18.2747 -18.2611 -18.0171 -18.0014 -16.5278 -16.5110 -16.4626 -16.4489 -15.7227 -15.7058 -14.9696 -14.9648 -14.9398 -14.9363 -8.4248 -8.4223 -5.2266 -5.2082 -5.0875 -5.0730 -4.2156 -4.1776 -2.9538 -2.9144 -2.8898 -2.8718 -2.4217 -2.3709 -1.8726 -1.8319 -1.7115 -1.6840 -1.3954 -1.3871 -0.1339 -0.1285 -0.0300 -0.0163 0.0271 0.0407 0.2878 0.2917 0.3703 0.3717 0.6188 0.6227 0.6905 0.6921 0.7864 0.7931 1.3320 1.3377 1.4103 1.4138 1.4639 1.4651 5.4242 5.4301 9.0770 9.1189 10.0188 10.1198 10.5426 10.6306 10.8876 10.9279 11.4116 11.4742 k = 0.1150-0.0560-0.1752 ( 8817 PWs) bands (ev): -46.3809 -46.3809 -19.1938 -19.1930 -18.4751 -18.4443 -18.3318 -18.2980 -18.2741 -18.2595 -18.0203 -18.0036 -16.5324 -16.5142 -16.4587 -16.4435 -15.7294 -15.7115 -14.9682 -14.9634 -14.9365 -14.9324 -8.4214 -8.4187 -5.2187 -5.1986 -5.0696 -5.0521 -4.2255 -4.1851 -2.9719 -2.9286 -2.9013 -2.8802 -2.4306 -2.3791 -1.8692 -1.8274 -1.6985 -1.6682 -1.3948 -1.3858 -0.1410 -0.1341 -0.0330 -0.0193 0.0332 0.0463 0.2774 0.2819 0.3671 0.3687 0.6102 0.6141 0.6878 0.6895 0.7897 0.7963 1.3244 1.3301 1.4120 1.4158 1.4653 1.4665 5.4663 5.4726 9.0620 9.1039 10.0242 10.1226 10.5236 10.6038 10.8762 10.9202 11.3936 11.4591 k = 0.1246-0.0607-0.1898 ( 8813 PWs) bands (ev): -46.3809 -46.3809 -19.1895 -19.1886 -18.4770 -18.4442 -18.3358 -18.2992 -18.2736 -18.2581 -18.0234 -18.0057 -16.5375 -16.5178 -16.4544 -16.4377 -15.7366 -15.7178 -14.9667 -14.9621 -14.9329 -14.9281 -8.4176 -8.4147 -5.2107 -5.1887 -5.0505 -5.0298 -4.2358 -4.1935 -2.9909 -2.9441 -2.9128 -2.8889 -2.4388 -2.3869 -1.8655 -1.8226 -1.6863 -1.6535 -1.3933 -1.3835 -0.1507 -0.1419 -0.0356 -0.0219 0.0395 0.0520 0.2684 0.2735 0.3639 0.3657 0.6017 0.6058 0.6845 0.6865 0.7923 0.7989 1.3170 1.3228 1.4139 1.4180 1.4666 1.4678 5.5100 5.5166 9.0473 9.0889 10.0272 10.1198 10.5082 10.5777 10.8670 10.9141 11.3741 11.4425 k = 0.1341-0.0654-0.2044 ( 8813 PWs) bands (ev): -46.3809 -46.3809 -19.1850 -19.1841 -18.4790 -18.4442 -18.3398 -18.3003 -18.2730 -18.2567 -18.0265 -18.0078 -16.5427 -16.5218 -16.4499 -16.4318 -15.7443 -15.7245 -14.9652 -14.9608 -14.9289 -14.9234 -8.4133 -8.4102 -5.2027 -5.1787 -5.0302 -5.0065 -4.2465 -4.2027 -3.0107 -2.9610 -2.9242 -2.8979 -2.4463 -2.3945 -1.8613 -1.8175 -1.6757 -1.6407 -1.3905 -1.3796 -0.1629 -0.1524 -0.0379 -0.0239 0.0459 0.0577 0.2609 0.2667 0.3607 0.3628 0.5937 0.5979 0.6807 0.6828 0.7945 0.8009 1.3102 1.3160 1.4160 1.4204 1.4676 1.4688 5.5548 5.5617 9.0332 9.0741 10.0268 10.1109 10.4967 10.5537 10.8601 10.9096 11.3533 11.4244 k = 0.1437-0.0701-0.2190 ( 8815 PWs) bands (ev): -46.3809 -46.3809 -19.1805 -19.1795 -18.4810 -18.4444 -18.3437 -18.3014 -18.2725 -18.2555 -18.0294 -18.0099 -16.5483 -16.5262 -16.4451 -16.4258 -15.7523 -15.7318 -14.9638 -14.9596 -14.9246 -14.9184 -8.4086 -8.4053 -5.1947 -5.1685 -5.0092 -4.9822 -4.2575 -4.2126 -3.0311 -2.9791 -2.9354 -2.9070 -2.4530 -2.4015 -1.8567 -1.8120 -1.6670 -1.6301 -1.3862 -1.3740 -0.1772 -0.1654 -0.0398 -0.0256 0.0522 0.0632 0.2550 0.2614 0.3576 0.3600 0.5862 0.5904 0.6764 0.6786 0.7960 0.8023 1.3038 1.3098 1.4183 1.4230 1.4685 1.4697 5.6003 5.6074 9.0200 9.0598 10.0221 10.0958 10.4887 10.5333 10.8555 10.9068 11.3314 11.4052 k = 0.1533-0.0747-0.2336 ( 8807 PWs) bands (ev): -46.3809 -46.3809 -19.1758 -19.1748 -18.4830 -18.4447 -18.3475 -18.3023 -18.2721 -18.2544 -18.0321 -18.0120 -16.5540 -16.5308 -16.4402 -16.4197 -15.7607 -15.7395 -14.9623 -14.9583 -14.9199 -14.9132 -8.4034 -8.3999 -5.1867 -5.1582 -4.9876 -4.9573 -4.2688 -4.2233 -3.0521 -2.9985 -2.9463 -2.9162 -2.4588 -2.4081 -1.8517 -1.8061 -1.6606 -1.6220 -1.3798 -1.3662 -0.1934 -0.1806 -0.0412 -0.0271 0.0584 0.0686 0.2504 0.2576 0.3547 0.3574 0.5792 0.5834 0.6715 0.6739 0.7969 0.8031 1.2980 1.3041 1.4209 1.4258 1.4691 1.4705 5.6461 5.6534 9.0078 9.0465 10.0124 10.0756 10.4821 10.5183 10.8533 10.9057 11.3085 11.3852 k = 0.1629-0.0794-0.2482 ( 8809 PWs) bands (ev): -46.3809 -46.3809 -19.1711 -19.1700 -18.4850 -18.4451 -18.3513 -18.3031 -18.2716 -18.2533 -18.0346 -18.0138 -16.5599 -16.5357 -16.4352 -16.4136 -15.7694 -15.7477 -14.9608 -14.9570 -14.9148 -14.9077 -8.3977 -8.3941 -5.1788 -5.1478 -4.9657 -4.9321 -4.2800 -4.2344 -3.0735 -3.0190 -2.9567 -2.9254 -2.4639 -2.4141 -1.8461 -1.7998 -1.6568 -1.6168 -1.3714 -1.3563 -0.2110 -0.1976 -0.0425 -0.0288 0.0643 0.0736 0.2471 0.2549 0.3522 0.3550 0.5729 0.5772 0.6659 0.6685 0.7973 0.8033 1.2928 1.2990 1.4235 1.4287 1.4696 1.4710 5.6918 5.6992 8.9969 9.0342 9.9972 10.0513 10.4749 10.5096 10.8536 10.9067 11.2849 11.3645 k = 0.1725-0.0841-0.2628 ( 8809 PWs) bands (ev): -46.3809 -46.3809 -19.1664 -19.1653 -18.4869 -18.4457 -18.3549 -18.3037 -18.2712 -18.2524 -18.0369 -18.0156 -16.5660 -16.5408 -16.4303 -16.4076 -15.7784 -15.7563 -14.9594 -14.9557 -14.9094 -14.9019 -8.3915 -8.3877 -5.1710 -5.1373 -4.9439 -4.9069 -4.2911 -4.2460 -3.0954 -3.0404 -2.9667 -2.9346 -2.4682 -2.4196 -1.8402 -1.7933 -1.6554 -1.6141 -1.3607 -1.3443 -0.2295 -0.2159 -0.0439 -0.0307 0.0699 0.0784 0.2446 0.2532 0.3501 0.3532 0.5674 0.5717 0.6599 0.6625 0.7971 0.8030 1.2882 1.2946 1.4263 1.4317 1.4699 1.4715 5.7370 5.7446 8.9875 9.0234 9.9768 10.0244 10.4668 10.5058 10.8562 10.9098 11.2610 11.3435 k = 0.1820-0.0887-0.2774 ( 8805 PWs) bands (ev): -46.3809 -46.3809 -19.1618 -19.1606 -18.4888 -18.4463 -18.3583 -18.3041 -18.2709 -18.2515 -18.0389 -18.0171 -16.5721 -16.5460 -16.4255 -16.4017 -15.7876 -15.7652 -14.9579 -14.9544 -14.9038 -14.8960 -8.3848 -8.3809 -5.1633 -5.1268 -4.9226 -4.8821 -4.3016 -4.2578 -3.1175 -3.0627 -2.9762 -2.9436 -2.4718 -2.4246 -1.8341 -1.7867 -1.6560 -1.6137 -1.3480 -1.3305 -0.2486 -0.2348 -0.0456 -0.0332 0.0751 0.0829 0.2427 0.2520 0.3487 0.3520 0.5626 0.5669 0.6532 0.6560 0.7965 0.8021 1.2843 1.2908 1.4292 1.4347 1.4702 1.4720 5.7814 5.7890 8.9797 9.0142 9.9516 9.9957 10.4591 10.5041 10.8609 10.9152 11.2370 11.3227 k = 0.1916-0.0934-0.2920 ( 8813 PWs) bands (ev): -46.3809 -46.3809 -19.1573 -19.1560 -18.4907 -18.4470 -18.3617 -18.3043 -18.2705 -18.2508 -18.0406 -18.0184 -16.5783 -16.5513 -16.4208 -16.3961 -15.7971 -15.7745 -14.9564 -14.9531 -14.8979 -14.8898 -8.3776 -8.3736 -5.1558 -5.1163 -4.9021 -4.8579 -4.3115 -4.2696 -3.1399 -3.0857 -2.9852 -2.9525 -2.4747 -2.4292 -1.8279 -1.7803 -1.6580 -1.6149 -1.3336 -1.3151 -0.2678 -0.2540 -0.0479 -0.0364 0.0799 0.0870 0.2410 0.2511 0.3482 0.3516 0.5585 0.5629 0.6461 0.6489 0.7954 0.8008 1.2810 1.2877 1.4320 1.4377 1.4704 1.4724 5.8247 5.8323 8.9737 9.0069 9.9228 9.9659 10.4523 10.5026 10.8671 10.9225 11.2135 11.3024 k = 0.2012-0.0981-0.3066 ( 8817 PWs) bands (ev): -46.3809 -46.3809 -19.1529 -19.1516 -18.4924 -18.4477 -18.3648 -18.3043 -18.2702 -18.2502 -18.0420 -18.0195 -16.5845 -16.5567 -16.4164 -16.3908 -15.8067 -15.7840 -14.9550 -14.9518 -14.8918 -14.8835 -8.3699 -8.3658 -5.1486 -5.1058 -4.8830 -4.8347 -4.3203 -4.2811 -3.1624 -3.1092 -2.9937 -2.9611 -2.4770 -2.4332 -1.8219 -1.7745 -1.6606 -1.6170 -1.3177 -1.2985 -0.2867 -0.2729 -0.0510 -0.0404 0.0843 0.0907 0.2391 0.2499 0.3488 0.3524 0.5549 0.5595 0.6385 0.6414 0.7940 0.7992 1.2784 1.2853 1.4348 1.4406 1.4706 1.4729 5.8664 5.8741 8.9697 9.0016 9.8916 9.9354 10.4463 10.5002 10.8741 10.9313 11.1912 11.2831 k = 0.2108-0.1028-0.3212 ( 8819 PWs) bands (ev): -46.3809 -46.3809 -19.1487 -19.1473 -18.4941 -18.4483 -18.3679 -18.3040 -18.2700 -18.2496 -18.0431 -18.0203 -16.5906 -16.5621 -16.4123 -16.3859 -15.8164 -15.7937 -14.9535 -14.9505 -14.8855 -14.8771 -8.3618 -8.3575 -5.1417 -5.0953 -4.8655 -4.8130 -4.3277 -4.2921 -3.1850 -3.1331 -3.0017 -2.9695 -2.4788 -2.4370 -1.8165 -1.7702 -1.6626 -1.6190 -1.3007 -1.2810 -0.3050 -0.2913 -0.0551 -0.0453 0.0883 0.0941 0.2368 0.2483 0.3506 0.3545 0.5518 0.5566 0.6305 0.6334 0.7923 0.7972 1.2764 1.2835 1.4374 1.4433 1.4710 1.4736 5.9065 5.9141 8.9676 8.9985 9.8592 9.9043 10.4408 10.4968 10.8810 10.9404 11.1711 11.2656 k = 0.2204-0.1074-0.3358 ( 8811 PWs) bands (ev): -46.3809 -46.3809 -19.1447 -19.1433 -18.4957 -18.4489 -18.3707 -18.3036 -18.2698 -18.2490 -18.0439 -18.0208 -16.5968 -16.5675 -16.4087 -16.3813 -15.8261 -15.8036 -14.9520 -14.9491 -14.8791 -14.8706 -8.3531 -8.3488 -5.1352 -5.0850 -4.8503 -4.7930 -4.3333 -4.3021 -3.2074 -3.1571 -3.0093 -2.9777 -2.4802 -2.4404 -1.8121 -1.7680 -1.6629 -1.6201 -1.2830 -1.2631 -0.3225 -0.3088 -0.0602 -0.0513 0.0920 0.0971 0.2337 0.2459 0.3538 0.3580 0.5489 0.5540 0.6224 0.6254 0.7904 0.7951 1.2750 1.2823 1.4397 1.4456 1.4716 1.4746 5.9446 5.9521 8.9675 8.9977 9.8262 9.8731 10.4355 10.4924 10.8867 10.9480 11.1548 11.2504 k = 0.2299-0.1121-0.3504 ( 8817 PWs) bands (ev): -46.3809 -46.3809 -19.1410 -19.1395 -18.4971 -18.4493 -18.3734 -18.3029 -18.2696 -18.2486 -18.0443 -18.0210 -16.6028 -16.5729 -16.4054 -16.3773 -15.8358 -15.8135 -14.9505 -14.9478 -14.8725 -14.8640 -8.3440 -8.3396 -5.1292 -5.0749 -4.8377 -4.7751 -4.3368 -4.3109 -3.2297 -3.1812 -3.0165 -2.9857 -2.4813 -2.4436 -1.8093 -1.7686 -1.6602 -1.6194 -1.2650 -1.2448 -0.3389 -0.3252 -0.0665 -0.0582 0.0952 0.0998 0.2300 0.2425 0.3581 0.3627 0.5458 0.5514 0.6143 0.6174 0.7883 0.7928 1.2742 1.2818 1.4416 1.4474 1.4725 1.4760 5.9805 5.9879 8.9693 8.9993 9.7933 9.8422 10.4303 10.4872 10.8904 10.9515 11.1443 11.2385 k = 0.2395-0.1168-0.3650 ( 8817 PWs) bands (ev): -46.3809 -46.3809 -19.1375 -19.1361 -18.4984 -18.4497 -18.3759 -18.3019 -18.2695 -18.2482 -18.0444 -18.0209 -16.6087 -16.5781 -16.4028 -16.3739 -15.8454 -15.8235 -14.9490 -14.9464 -14.8658 -14.8573 -8.3345 -8.3300 -5.1237 -5.0650 -4.8282 -4.7597 -4.3380 -4.3181 -3.2517 -3.2051 -3.0233 -2.9936 -2.4823 -2.4467 -1.8082 -1.7722 -1.6541 -1.6162 -1.2467 -1.2266 -0.3540 -0.3403 -0.0739 -0.0662 0.0979 0.1020 0.2255 0.2383 0.3635 0.3685 0.5422 0.5485 0.6066 0.6099 0.7863 0.7904 1.2740 1.2818 1.4429 1.4486 1.4740 1.4779 6.0142 6.0213 8.9730 9.0032 9.7610 9.8118 10.4252 10.4815 10.8911 10.9487 11.1414 11.2304 k = 0.2491-0.1214-0.3796 ( 8797 PWs) bands (ev): -46.3809 -46.3809 -19.1344 -19.1329 -18.4995 -18.4498 -18.3782 -18.3008 -18.2695 -18.2478 -18.0442 -18.0204 -16.6144 -16.5833 -16.4006 -16.3710 -15.8548 -15.8334 -14.9475 -14.9451 -14.8591 -14.8506 -8.3246 -8.3200 -5.1190 -5.0555 -4.8219 -4.7470 -4.3368 -4.3233 -3.2732 -3.2287 -3.0300 -3.0014 -2.4833 -2.4498 -1.8089 -1.7781 -1.6446 -1.6099 -1.2285 -1.2086 -0.3676 -0.3538 -0.0823 -0.0751 0.1001 0.1038 0.2204 0.2332 0.3697 0.3752 0.5376 0.5447 0.5998 0.6035 0.7842 0.7881 1.2743 1.2825 1.4438 1.4493 1.4759 1.4803 6.0454 6.0523 8.9786 9.0095 9.7295 9.7823 10.4202 10.4756 10.8880 10.9388 11.1465 11.2268 k = 0.2587-0.1261-0.3942 ( 8809 PWs) bands (ev): -46.3809 -46.3809 -19.1316 -19.1301 -18.5004 -18.4497 -18.3803 -18.2994 -18.2695 -18.2475 -18.0437 -18.0197 -16.6199 -16.5883 -16.3992 -16.3689 -15.8641 -15.8432 -14.9460 -14.9437 -14.8523 -14.8439 -8.3143 -8.3097 -5.1150 -5.0464 -4.8189 -4.7371 -4.3332 -4.3262 -3.2942 -3.2517 -3.0365 -3.0091 -2.4844 -2.4530 -1.8114 -1.7856 -1.6321 -1.6006 -1.2106 -1.1909 -0.3797 -0.3658 -0.0919 -0.0849 0.1014 0.1050 0.2148 0.2273 0.3766 0.3824 0.5318 0.5394 0.5944 0.5984 0.7823 0.7860 1.2752 1.2836 1.4440 1.4494 1.4783 1.4830 6.0740 6.0807 8.9858 9.0180 9.6991 9.7540 10.4154 10.4698 10.8808 10.9227 11.1583 11.2280 k = 0.2683-0.1308-0.4088 ( 8817 PWs) bands (ev): -46.3809 -46.3809 -19.1292 -19.1277 -18.5012 -18.4495 -18.3821 -18.2980 -18.2696 -18.2473 -18.0428 -18.0186 -16.6251 -16.5930 -16.3984 -16.3675 -15.8731 -15.8528 -14.9445 -14.9423 -14.8455 -14.8373 -8.3036 -8.2990 -5.1118 -5.0378 -4.8191 -4.7301 -4.3288 -4.3255 -3.3146 -3.2740 -3.0429 -3.0169 -2.4857 -2.4565 -1.8151 -1.7939 -1.6171 -1.5883 -1.1931 -1.1737 -0.3901 -0.3761 -0.1023 -0.0955 0.1016 0.1057 0.2086 0.2206 0.3839 0.3900 0.5246 0.5326 0.5906 0.5948 0.7806 0.7840 1.2766 1.2853 1.4439 1.4491 1.4810 1.4859 6.1001 6.1065 8.9944 9.0286 9.6700 9.7272 10.4109 10.4643 10.8696 10.9021 11.1747 11.2336 k = 0.2778-0.1355-0.4234 ( 8817 PWs) bands (ev): -46.3809 -46.3809 -19.1271 -19.1257 -18.5016 -18.4490 -18.3837 -18.2963 -18.2698 -18.2471 -18.0416 -18.0173 -16.6301 -16.5976 -16.3984 -16.3669 -15.8817 -15.8622 -14.9429 -14.9409 -14.8387 -14.8307 -8.2927 -8.2881 -5.1096 -5.0299 -4.8221 -4.7258 -4.3263 -4.3186 -3.3340 -3.2955 -3.0494 -3.0247 -2.4874 -2.4602 -1.8196 -1.8022 -1.6000 -1.5733 -1.1761 -1.1571 -0.3988 -0.3846 -0.1135 -0.1068 0.1007 0.1057 0.2020 0.2133 0.3913 0.3975 0.5163 0.5242 0.5885 0.5927 0.7792 0.7824 1.2785 1.2874 1.4434 1.4485 1.4840 1.4891 6.1236 6.1298 9.0044 9.0411 9.6423 9.7021 10.4069 10.4592 10.8546 10.8788 11.1939 11.2435 k = 0.2874-0.1401-0.4380 ( 8819 PWs) bands (ev): -46.3809 -46.3809 -19.1254 -19.1240 -18.5019 -18.4485 -18.3850 -18.2946 -18.2700 -18.2469 -18.0401 -18.0156 -16.6348 -16.6018 -16.3992 -16.3671 -15.8899 -15.8712 -14.9414 -14.9396 -14.8320 -14.8242 -8.2815 -8.2769 -5.1083 -5.0230 -4.8275 -4.7240 -4.3226 -4.3093 -3.3526 -3.3159 -3.0559 -3.0327 -2.4895 -2.4643 -1.8243 -1.8100 -1.5809 -1.5559 -1.1598 -1.1412 -0.4058 -0.3914 -0.1253 -0.1187 0.0984 0.1047 0.1950 0.2054 0.3986 0.4050 0.5070 0.5147 0.5878 0.5919 0.7782 0.7811 1.2808 1.2901 1.4426 1.4476 1.4871 1.4923 6.1447 6.1505 9.0154 9.0553 9.6163 9.6789 10.4034 10.4549 10.8362 10.8538 11.2145 11.2569 k = 0.2970-0.1448-0.4526 ( 8821 PWs) bands (ev): -46.3809 -46.3809 -19.1241 -19.1228 -18.5019 -18.4477 -18.3860 -18.2929 -18.2702 -18.2467 -18.0383 -18.0137 -16.6391 -16.6058 -16.4008 -16.3682 -15.8977 -15.8799 -14.9399 -14.9382 -14.8254 -14.8178 -8.2701 -8.2655 -5.1082 -5.0171 -4.8345 -4.7244 -4.3170 -4.2989 -3.3701 -3.3352 -3.0627 -3.0409 -2.4921 -2.4689 -1.8288 -1.8170 -1.5602 -1.5364 -1.1442 -1.1261 -0.4110 -0.3965 -0.1375 -0.1310 0.0946 0.1025 0.1875 0.1970 0.4055 0.4120 0.4973 0.5047 0.5883 0.5922 0.7775 0.7802 1.2836 1.2931 1.4416 1.4466 1.4902 1.4955 6.1632 6.1688 9.0272 9.0707 9.5919 9.6578 10.4006 10.4513 10.8148 10.8283 11.2357 11.2733 k = 0.3066-0.1495-0.4672 ( 8831 PWs) bands (ev): -46.3809 -46.3809 -19.1232 -19.1218 -18.5018 -18.4470 -18.3865 -18.2912 -18.2704 -18.2466 -18.0363 -18.0116 -16.6431 -16.6094 -16.4032 -16.3701 -15.9051 -15.8882 -14.9384 -14.9368 -14.8189 -14.8115 -8.2585 -8.2540 -5.1091 -5.0128 -4.8427 -4.7265 -4.3101 -4.2878 -3.3864 -3.3533 -3.0697 -3.0494 -2.4953 -2.4738 -1.8327 -1.8229 -1.5378 -1.5151 -1.1294 -1.1118 -0.4147 -0.4000 -0.1500 -0.1435 0.0891 0.0989 0.1794 0.1881 0.4117 0.4184 0.4876 0.4947 0.5897 0.5934 0.7774 0.7799 1.2868 1.2965 1.4404 1.4455 1.4933 1.4986 6.1795 6.1847 9.0396 9.0872 9.5695 9.6388 10.3985 10.4486 10.7907 10.8030 11.2570 11.2921 k = 0.3162-0.1541-0.4818 ( 8823 PWs) bands (ev): -46.3809 -46.3809 -19.1226 -19.1213 -18.5013 -18.4462 -18.3866 -18.2895 -18.2706 -18.2464 -18.0340 -18.0092 -16.6466 -16.6127 -16.4064 -16.3729 -15.9119 -15.8960 -14.9370 -14.9355 -14.8125 -14.8053 -8.2469 -8.2424 -5.1111 -5.0103 -4.8510 -4.7299 -4.3020 -4.2764 -3.4014 -3.3700 -3.0771 -3.0583 -2.4990 -2.4792 -1.8358 -1.8275 -1.5141 -1.4922 -1.1155 -1.0983 -0.4168 -0.4019 -0.1625 -0.1561 0.0819 0.0936 0.1708 0.1789 0.4167 0.4235 0.4785 0.4854 0.5918 0.5953 0.7777 0.7800 1.2903 1.3003 1.4392 1.4444 1.4964 1.5017 6.1935 6.1984 9.0522 9.1043 9.5490 9.6221 10.3971 10.4467 10.7644 10.7782 11.2780 11.3127 k = 0.3257-0.1588-0.4964 ( 8821 PWs) bands (ev): -46.3809 -46.3809 -19.1223 -19.1210 -18.5006 -18.4455 -18.3863 -18.2880 -18.2707 -18.2463 -18.0314 -18.0067 -16.6497 -16.6156 -16.4104 -16.3765 -15.9183 -15.9033 -14.9355 -14.9342 -14.8062 -14.7994 -8.2352 -8.2308 -5.1142 -5.0102 -4.8587 -4.7342 -4.2931 -4.2652 -3.4150 -3.3853 -3.0848 -3.0675 -2.5032 -2.4849 -1.8379 -1.8308 -1.4891 -1.4677 -1.1024 -1.0857 -0.4175 -0.4025 -0.1748 -0.1686 0.0730 0.0865 0.1616 0.1695 0.4194 0.4261 0.4713 0.4783 0.5945 0.5979 0.7785 0.7806 1.2942 1.3044 1.4380 1.4432 1.4993 1.5045 6.2054 6.2101 9.0649 9.1216 9.5308 9.6077 10.3965 10.4457 10.7370 10.7534 11.2988 11.3347 k = 0.3353-0.1635-0.5110 ( 8823 PWs) bands (ev): -46.3809 -46.3809 -19.1223 -19.1211 -18.4997 -18.4449 -18.3854 -18.2868 -18.2706 -18.2462 -18.0286 -18.0041 -16.6524 -16.6180 -16.4151 -16.3810 -15.9241 -15.9102 -14.9341 -14.9328 -14.8001 -14.7936 -8.2235 -8.2192 -5.1183 -5.0127 -4.8650 -4.7391 -4.2839 -4.2543 -3.4273 -3.3992 -3.0929 -3.0770 -2.5078 -2.4910 -1.8390 -1.8327 -1.4630 -1.4420 -1.0902 -1.0740 -0.4170 -0.4021 -0.1868 -0.1806 0.0624 0.0774 0.1518 0.1600 0.4182 0.4245 0.4678 0.4749 0.5977 0.6010 0.7797 0.7817 1.2983 1.3087 1.4366 1.4420 1.5020 1.5071 6.2154 6.2198 9.0774 9.1387 9.5148 9.5956 10.3965 10.4455 10.7091 10.7287 11.3193 11.3574 k = 0.3449-0.1681-0.5256 ( 8825 PWs) bands (ev): -46.3809 -46.3809 -19.1225 -19.1214 -18.4986 -18.4446 -18.3839 -18.2860 -18.2702 -18.2462 -18.0255 -18.0014 -16.6545 -16.6201 -16.4206 -16.3862 -15.9294 -15.9165 -14.9327 -14.9316 -14.7943 -14.7880 -8.2119 -8.2077 -5.1233 -5.0182 -4.8695 -4.7443 -4.2744 -4.2439 -3.4382 -3.4117 -3.1013 -3.0869 -2.5127 -2.4972 -1.8390 -1.8333 -1.4359 -1.4152 -1.0788 -1.0631 -0.4156 -0.4007 -0.1981 -0.1921 0.0501 0.0664 0.1417 0.1505 0.4124 0.4178 0.4690 0.4759 0.6013 0.6045 0.7813 0.7833 1.3027 1.3133 1.4353 1.4408 1.5045 1.5096 6.2237 6.2277 9.0895 9.1551 9.5013 9.5858 10.3970 10.4460 10.6813 10.7042 11.3396 11.3805 k = 0.3545-0.1728-0.5402 ( 8833 PWs) bands (ev): -46.3809 -46.3809 -19.1230 -19.1220 -18.4974 -18.4445 -18.3820 -18.2857 -18.2696 -18.2462 -18.0223 -17.9986 -16.6561 -16.6217 -16.4267 -16.3922 -15.9342 -15.9223 -14.9313 -14.9303 -14.7886 -14.7827 -8.2005 -8.1965 -5.1292 -5.0265 -4.8720 -4.7496 -4.2651 -4.2343 -3.4476 -3.4227 -3.1102 -3.0971 -2.5179 -2.5036 -1.8379 -1.8328 -1.4080 -1.3873 -1.0683 -1.0531 -0.4136 -0.3990 -0.2085 -0.2027 0.0363 0.0535 0.1316 0.1409 0.4027 0.4074 0.4737 0.4804 0.6053 0.6083 0.7832 0.7852 1.3074 1.3181 1.4340 1.4397 1.5068 1.5117 6.2303 6.2341 9.1010 9.1705 9.4905 9.5782 10.3979 10.4470 10.6539 10.6802 11.3595 11.4037 k = 0.3641-0.1775-0.5548 ( 8835 PWs) bands (ev): -46.3809 -46.3809 -19.1237 -19.1228 -18.4959 -18.4446 -18.3795 -18.2859 -18.2686 -18.2461 -18.0190 -17.9958 -16.6572 -16.6228 -16.4333 -16.3989 -15.9384 -15.9276 -14.9300 -14.9291 -14.7832 -14.7776 -8.1894 -8.1855 -5.1358 -5.0373 -4.8726 -4.7549 -4.2560 -4.2254 -3.4556 -3.4324 -3.1194 -3.1076 -2.5231 -2.5100 -1.8359 -1.8312 -1.3793 -1.3587 -1.0586 -1.0437 -0.4114 -0.3972 -0.2178 -0.2122 0.0214 0.0389 0.1216 0.1313 0.3905 0.3947 0.4803 0.4870 0.6093 0.6122 0.7855 0.7874 1.3122 1.3231 1.4327 1.4386 1.5088 1.5136 6.2356 6.2391 9.1119 9.1845 9.4826 9.5726 10.3989 10.4484 10.6271 10.6569 11.3792 11.4265 k = 0.3737-0.1822-0.5694 ( 8831 PWs) bands (ev): -46.3809 -46.3809 -19.1246 -19.1237 -18.4942 -18.4451 -18.3764 -18.2865 -18.2673 -18.2462 -18.0155 -17.9931 -16.6578 -16.6235 -16.4405 -16.4061 -15.9422 -15.9324 -14.9287 -14.9279 -14.7781 -14.7728 -8.1785 -8.1748 -5.1428 -5.0498 -4.8716 -4.7601 -4.2473 -4.2174 -3.4623 -3.4406 -3.1289 -3.1183 -2.5283 -2.5162 -1.8331 -1.8287 -1.3503 -1.3296 -1.0496 -1.0351 -0.4093 -0.3959 -0.2256 -0.2202 0.0056 0.0230 0.1119 0.1218 0.3768 0.3807 0.4882 0.4948 0.6135 0.6162 0.7880 0.7899 1.3171 1.3281 1.4314 1.4375 1.5106 1.5152 6.2396 6.2428 9.1220 9.1966 9.4775 9.5687 10.3997 10.4498 10.6015 10.6349 11.3984 11.4487 k = 0.3832-0.1868-0.5840 ( 8835 PWs) bands (ev): -46.3809 -46.3809 -19.1256 -19.1247 -18.4925 -18.4457 -18.3730 -18.2876 -18.2659 -18.2462 -18.0120 -17.9905 -16.6578 -16.6238 -16.4480 -16.4139 -15.9456 -15.9367 -14.9275 -14.9268 -14.7732 -14.7684 -8.1680 -8.1645 -5.1502 -5.0636 -4.8695 -4.7651 -4.2390 -4.2103 -3.4677 -3.4477 -3.1385 -3.1291 -2.5334 -2.5223 -1.8297 -1.8255 -1.3209 -1.3002 -1.0413 -1.0271 -0.4079 -0.3955 -0.2319 -0.2267 -0.0107 0.0064 0.1024 0.1124 0.3619 0.3658 0.4967 0.5032 0.6175 0.6200 0.7907 0.7925 1.3222 1.3332 1.4301 1.4364 1.5122 1.5166 6.2426 6.2455 9.1314 9.2066 9.4754 9.5664 10.4001 10.4507 10.5777 10.6145 11.4172 11.4701 k = 0.6168 0.1257-0.3559 ( 8835 PWs) bands (ev): -46.3809 -46.3809 -19.1256 -19.1247 -18.4925 -18.4457 -18.3730 -18.2876 -18.2659 -18.2462 -18.0119 -17.9905 -16.6578 -16.6238 -16.4480 -16.4139 -15.9456 -15.9367 -14.9275 -14.9267 -14.7732 -14.7684 -8.1680 -8.1645 -5.1502 -5.0636 -4.8695 -4.7651 -4.2390 -4.2103 -3.4677 -3.4477 -3.1385 -3.1291 -2.5334 -2.5223 -1.8297 -1.8255 -1.3209 -1.3002 -1.0413 -1.0271 -0.4079 -0.3955 -0.2319 -0.2266 -0.0107 0.0064 0.1024 0.1123 0.3619 0.3658 0.4967 0.5032 0.6175 0.6200 0.7907 0.7925 1.3222 1.3332 1.4301 1.4364 1.5122 1.5166 6.2426 6.2455 9.1314 9.2066 9.4753 9.5664 10.4001 10.4507 10.5777 10.6145 11.4172 11.4701 k = 0.6078 0.1400-0.3559 ( 8821 PWs) bands (ev): -46.3809 -46.3809 -19.1266 -19.1258 -18.4907 -18.4466 -18.3695 -18.2888 -18.2645 -18.2463 -18.0086 -17.9881 -16.6573 -16.6237 -16.4552 -16.4215 -15.9483 -15.9403 -14.9264 -14.9257 -14.7690 -14.7645 -8.1586 -8.1553 -5.1572 -5.0771 -4.8667 -4.7697 -4.2317 -4.2044 -3.4716 -3.4532 -3.1476 -3.1391 -2.5380 -2.5277 -1.8260 -1.8221 -1.2934 -1.2727 -1.0340 -1.0201 -0.4073 -0.3962 -0.2364 -0.2312 -0.0258 -0.0092 0.0939 0.1037 0.3474 0.3511 0.5050 0.5114 0.6211 0.6235 0.7934 0.7951 1.3270 1.3380 1.4290 1.4354 1.5134 1.5177 6.2445 6.2472 9.1395 9.2140 9.4759 9.5654 10.3996 10.4504 10.5576 10.5973 11.4343 11.4890 k = 0.5988 0.1544-0.3559 ( 8825 PWs) bands (ev): -46.3809 -46.3809 -19.1276 -19.1269 -18.4888 -18.4476 -18.3657 -18.2904 -18.2631 -18.2464 -18.0052 -17.9858 -16.6563 -16.6233 -16.4626 -16.4295 -15.9508 -15.9435 -14.9253 -14.9247 -14.7649 -14.7608 -8.1497 -8.1466 -5.1641 -5.0908 -4.8634 -4.7741 -4.2248 -4.1993 -3.4747 -3.4578 -3.1567 -3.1491 -2.5423 -2.5329 -1.8220 -1.8183 -1.2662 -1.2454 -1.0273 -1.0136 -0.4078 -0.3981 -0.2400 -0.2343 -0.0402 -0.0244 0.0857 0.0953 0.3324 0.3361 0.5135 0.5197 0.6244 0.6267 0.7960 0.7977 1.3318 1.3427 1.4279 1.4344 1.5144 1.5185 6.2458 6.2483 9.1471 9.2195 9.4786 9.5652 10.3980 10.4481 10.5407 10.5823 11.4508 11.5067 k = 0.5898 0.1688-0.3559 ( 8829 PWs) bands (ev): -46.3809 -46.3809 -19.1287 -19.1280 -18.4869 -18.4488 -18.3617 -18.2922 -18.2616 -18.2465 -18.0019 -17.9838 -16.6548 -16.6226 -16.4699 -16.4376 -15.9529 -15.9464 -14.9244 -14.9239 -14.7612 -14.7574 -8.1413 -8.1384 -5.1708 -5.1045 -4.8598 -4.7785 -4.2185 -4.1948 -3.4769 -3.4616 -3.1657 -3.1588 -2.5462 -2.5377 -1.8178 -1.8144 -1.2394 -1.2188 -1.0209 -1.0075 -0.4093 -0.4012 -0.2430 -0.2366 -0.0533 -0.0382 0.0777 0.0872 0.3173 0.3209 0.5219 0.5280 0.6275 0.6296 0.7987 0.8002 1.3365 1.3473 1.4268 1.4334 1.5153 1.5190 6.2466 6.2488 9.1542 9.2233 9.4833 9.5656 10.3950 10.4428 10.5282 10.5698 11.4667 11.5227 k = 0.5808 0.1832-0.3559 ( 8828 PWs) bands (ev): -46.3809 -46.3809 -19.1298 -19.1292 -18.4849 -18.4501 -18.3575 -18.2941 -18.2602 -18.2467 -17.9986 -17.9819 -16.6529 -16.6217 -16.4770 -16.4457 -15.9546 -15.9489 -14.9235 -14.9230 -14.7578 -14.7544 -8.1335 -8.1308 -5.1771 -5.1177 -4.8559 -4.7827 -4.2126 -4.1909 -3.4784 -3.4646 -3.1743 -3.1681 -2.5498 -2.5422 -1.8135 -1.8104 -1.2135 -1.1932 -1.0149 -1.0017 -0.4118 -0.4053 -0.2461 -0.2387 -0.0644 -0.0500 0.0701 0.0794 0.3022 0.3057 0.5302 0.5360 0.6301 0.6322 0.8012 0.8027 1.3412 1.3517 1.4257 1.4324 1.5159 1.5194 6.2469 6.2489 9.1609 9.2255 9.4894 9.5664 10.3906 10.4340 10.5205 10.5599 11.4818 11.5371 k = 0.5719 0.1975-0.3559 ( 8832 PWs) bands (ev): -46.3809 -46.3809 -19.1308 -19.1302 -18.4829 -18.4516 -18.3533 -18.2963 -18.2589 -18.2470 -17.9955 -17.9803 -16.6505 -16.6207 -16.4838 -16.4539 -15.9562 -15.9512 -14.9227 -14.9223 -14.7547 -14.7516 -8.1263 -8.1239 -5.1829 -5.1304 -4.8519 -4.7869 -4.2073 -4.1878 -3.4793 -3.4669 -3.1826 -3.1770 -2.5531 -2.5462 -1.8094 -1.8065 -1.1887 -1.1689 -1.0091 -0.9962 -0.4151 -0.4100 -0.2496 -0.2412 -0.0729 -0.0591 0.0628 0.0718 0.2874 0.2908 0.5381 0.5436 0.6324 0.6344 0.8037 0.8050 1.3458 1.3559 1.4248 1.4313 1.5164 1.5196 6.2470 6.2487 9.1671 9.2264 9.4967 9.5672 10.3850 10.4226 10.5169 10.5524 11.4962 11.5494 k = 0.5629 0.2119-0.3559 ( 8840 PWs) bands (ev): -46.3809 -46.3809 -19.1317 -19.1312 -18.4808 -18.4532 -18.3490 -18.2987 -18.2576 -18.2473 -17.9925 -17.9789 -16.6477 -16.6197 -16.4901 -16.4620 -15.9574 -15.9531 -14.9219 -14.9216 -14.7519 -14.7492 -8.1198 -8.1176 -5.1880 -5.1423 -4.8479 -4.7910 -4.2024 -4.1852 -3.4797 -3.4688 -3.1902 -3.1852 -2.5559 -2.5499 -1.8054 -1.8028 -1.1655 -1.1465 -1.0036 -0.9910 -0.4189 -0.4151 -0.2541 -0.2450 -0.0782 -0.0651 0.0559 0.0646 0.2732 0.2764 0.5457 0.5508 0.6342 0.6362 0.8060 0.8072 1.3502 1.3598 1.4239 1.4302 1.5168 1.5196 6.2468 6.2483 9.1731 9.2262 9.5046 9.5678 10.3784 10.4099 10.5162 10.5471 11.5097 11.5597 k = 0.5539 0.2263-0.3559 ( 8858 PWs) bands (ev): -46.3809 -46.3809 -19.1326 -19.1322 -18.4788 -18.4548 -18.3448 -18.3013 -18.2564 -18.2476 -17.9897 -17.9779 -16.6446 -16.6188 -16.4957 -16.4698 -15.9584 -15.9548 -14.9213 -14.9210 -14.7495 -14.7471 -8.1140 -8.1121 -5.1922 -5.1533 -4.8437 -4.7951 -4.1980 -4.1831 -3.4796 -3.4703 -3.1972 -3.1928 -2.5582 -2.5531 -1.8017 -1.7994 -1.1443 -1.1264 -0.9981 -0.9862 -0.4231 -0.4202 -0.2594 -0.2501 -0.0802 -0.0679 0.0493 0.0577 0.2598 0.2627 0.5526 0.5573 0.6357 0.6376 0.8081 0.8091 1.3543 1.3632 1.4231 1.4291 1.5171 1.5196 6.2464 6.2477 9.1788 9.2252 9.5128 9.5681 10.3716 10.3971 10.5173 10.5434 11.5223 11.5679 k = 0.5449 0.2406-0.3559 ( 8852 PWs) bands (ev): -46.3809 -46.3809 -19.1333 -19.1330 -18.4766 -18.4566 -18.3405 -18.3041 -18.2553 -18.2480 -17.9871 -17.9771 -16.6413 -16.6182 -16.5004 -16.4773 -15.9592 -15.9562 -14.9207 -14.9205 -14.7473 -14.7454 -8.1090 -8.1074 -5.1956 -5.1633 -4.8396 -4.7991 -4.1941 -4.1817 -3.4793 -3.4714 -3.2032 -3.1994 -2.5602 -2.5559 -1.7984 -1.7964 -1.1253 -1.1092 -0.9927 -0.9818 -0.4273 -0.4250 -0.2653 -0.2564 -0.0793 -0.0680 0.0433 0.0511 0.2476 0.2502 0.5589 0.5630 0.6369 0.6386 0.8099 0.8108 1.3582 1.3661 1.4224 1.4280 1.5173 1.5194 6.2460 6.2471 9.1842 9.2235 9.5211 9.5679 10.3650 10.3851 10.5194 10.5408 11.5339 11.5739 k = 0.5359 0.2550-0.3559 ( 8854 PWs) bands (ev): -46.3809 -46.3809 -19.1340 -19.1337 -18.4745 -18.4584 -18.3363 -18.3070 -18.2542 -18.2484 -17.9847 -17.9766 -16.6377 -16.6181 -16.5039 -16.4842 -15.9598 -15.9574 -14.9203 -14.9201 -14.7455 -14.7440 -8.1049 -8.1036 -5.1979 -5.1722 -4.8355 -4.8031 -4.1907 -4.1807 -3.4787 -3.4723 -3.2083 -3.2052 -2.5617 -2.5582 -1.7955 -1.7939 -1.1091 -1.0952 -0.9874 -0.9778 -0.4313 -0.4294 -0.2712 -0.2633 -0.0763 -0.0662 0.0378 0.0450 0.2370 0.2392 0.5644 0.5679 0.6377 0.6393 0.8115 0.8122 1.3617 1.3685 1.4220 1.4269 1.5175 1.5192 6.2456 6.2465 9.1894 9.2212 9.5291 9.5670 10.3591 10.3744 10.5220 10.5389 11.5444 11.5777 k = 0.5269 0.2694-0.3559 ( 8848 PWs) bands (ev): -46.3809 -46.3809 -19.1345 -19.1343 -18.4724 -18.4602 -18.3321 -18.3101 -18.2532 -18.2489 -17.9826 -17.9765 -16.6341 -16.6185 -16.5061 -16.4906 -15.9602 -15.9584 -14.9199 -14.9198 -14.7441 -14.7430 -8.1015 -8.1006 -5.1991 -5.1799 -4.8314 -4.8071 -4.1878 -4.1802 -3.4779 -3.4731 -3.2123 -3.2099 -2.5627 -2.5601 -1.7932 -1.7920 -1.0958 -1.0848 -0.9823 -0.9747 -0.4346 -0.4330 -0.2763 -0.2700 -0.0719 -0.0635 0.0333 0.0393 0.2283 0.2301 0.5689 0.5717 0.6384 0.6397 0.8128 0.8133 1.3648 1.3702 1.4218 1.4257 1.5176 1.5189 6.2453 6.2459 9.1944 9.2184 9.5366 9.5653 10.3544 10.3655 10.5247 10.5373 11.5538 11.5796 k = 0.5180 0.2838-0.3559 ( 8854 PWs) bands (ev): -46.3809 -46.3809 -19.1348 -19.1347 -18.4703 -18.4622 -18.3281 -18.3134 -18.2523 -18.2494 -17.9808 -17.9767 -16.6305 -16.6197 -16.5069 -16.4961 -15.9604 -15.9592 -14.9196 -14.9195 -14.7430 -14.7423 -8.0991 -8.0985 -5.1990 -5.1863 -4.8273 -4.8111 -4.1853 -4.1803 -3.4771 -3.4739 -3.2151 -3.2134 -2.5634 -2.5616 -1.7914 -1.7906 -1.0856 -1.0780 -0.9779 -0.9725 -0.4371 -0.4359 -0.2801 -0.2757 -0.0672 -0.0611 0.0299 0.0345 0.2219 0.2231 0.5724 0.5743 0.6389 0.6398 0.8137 0.8141 1.3674 1.3711 1.4219 1.4246 1.5178 1.5186 6.2450 6.2455 9.1991 9.2152 9.5435 9.5628 10.3513 10.3585 10.5274 10.5357 11.5619 11.5794 k = 0.5090 0.2981-0.3559 ( 8846 PWs) bands (ev): -46.3809 -46.3809 -19.1350 -19.1349 -18.4682 -18.4641 -18.3242 -18.3168 -18.2515 -18.2500 -17.9793 -17.9772 -16.6271 -16.6216 -16.5062 -16.5007 -15.9604 -15.9598 -14.9194 -14.9194 -14.7423 -14.7419 -8.0976 -8.0973 -5.1978 -5.1914 -4.8232 -4.8152 -4.1833 -4.1808 -3.4763 -3.4747 -3.2166 -3.2157 -2.5636 -2.5627 -1.7902 -1.7898 -1.0787 -1.0748 -0.9744 -0.9716 -0.4385 -0.4379 -0.2821 -0.2798 -0.0631 -0.0599 0.0283 0.0307 0.2181 0.2187 0.5748 0.5758 0.6392 0.6397 0.8144 0.8145 1.3694 1.3713 1.4222 1.4237 1.5180 1.5184 6.2449 6.2451 9.2036 9.2117 9.5496 9.5593 10.3500 10.3536 10.5299 10.5340 11.5686 11.5775 k = 0.5000 0.3125-0.3559 ( 8838 PWs) bands (ev): -46.3809 -46.3809 -19.1351 -19.1351 -18.4661 -18.4661 -18.3204 -18.3204 -18.2507 -18.2507 -17.9781 -17.9781 -16.6241 -16.6241 -16.5041 -16.5041 -15.9602 -15.9602 -14.9194 -14.9194 -14.7419 -14.7419 -8.0970 -8.0970 -5.1953 -5.1953 -4.8192 -4.8192 -4.1818 -4.1818 -3.4754 -3.4754 -3.2168 -3.2168 -2.5633 -2.5633 -1.7897 -1.7897 -1.0751 -1.0751 -0.9723 -0.9723 -0.4387 -0.4387 -0.2820 -0.2820 -0.0605 -0.0605 0.0286 0.0286 0.2170 0.2170 0.5759 0.5759 0.6395 0.6395 0.8146 0.8146 1.3707 1.3707 1.4229 1.4229 1.5182 1.5182 6.2450 6.2450 9.2078 9.2078 9.5549 9.5549 10.3507 10.3507 10.5321 10.5321 11.5738 11.5738 k = 0.5000 0.3125-0.3559 ( 8838 PWs) bands (ev): -46.3809 -46.3809 -19.1351 -19.1351 -18.4661 -18.4661 -18.3204 -18.3204 -18.2507 -18.2507 -17.9781 -17.9781 -16.6241 -16.6241 -16.5041 -16.5041 -15.9602 -15.9602 -14.9194 -14.9194 -14.7419 -14.7419 -8.0970 -8.0970 -5.1953 -5.1953 -4.8192 -4.8192 -4.1818 -4.1818 -3.4754 -3.4754 -3.2168 -3.2168 -2.5633 -2.5633 -1.7897 -1.7897 -1.0751 -1.0751 -0.9723 -0.9723 -0.4387 -0.4387 -0.2820 -0.2820 -0.0605 -0.0605 0.0286 0.0286 0.2170 0.2170 0.5759 0.5759 0.6395 0.6395 0.8146 0.8146 1.3707 1.3707 1.4229 1.4229 1.5182 1.5182 6.2450 6.2450 9.2078 9.2078 9.5549 9.5549 10.3507 10.3507 10.5321 10.5321 11.5738 11.5738 k = 0.5078 0.3174-0.3407 ( 8845 PWs) bands (ev): -46.3809 -46.3809 -19.1352 -19.1350 -18.4671 -18.4652 -18.3210 -18.3198 -18.2512 -18.2502 -17.9782 -17.9777 -16.6247 -16.6234 -16.5045 -16.5036 -15.9619 -15.9600 -14.9192 -14.9183 -14.7421 -14.7420 -8.0968 -8.0964 -5.1963 -5.1939 -4.8233 -4.8167 -4.1868 -4.1761 -3.4762 -3.4733 -3.2182 -3.2152 -2.5670 -2.5650 -1.7891 -1.7864 -1.0781 -1.0732 -0.9746 -0.9698 -0.4399 -0.4382 -0.2827 -0.2815 -0.0606 -0.0599 0.0286 0.0290 0.2180 0.2186 0.5742 0.5752 0.6397 0.6409 0.8143 0.8146 1.3704 1.3705 1.4228 1.4231 1.5177 1.5178 6.2452 6.2455 9.2045 9.2109 9.5517 9.5569 10.3241 10.3532 10.5314 10.5598 11.5671 11.5775 k = 0.5156 0.3222-0.3255 ( 8853 PWs) bands (ev): -46.3809 -46.3809 -19.1355 -19.1351 -18.4679 -18.4642 -18.3215 -18.3191 -18.2516 -18.2496 -17.9780 -17.9771 -16.6253 -16.6227 -16.5047 -16.5030 -15.9651 -15.9613 -14.9179 -14.9161 -14.7426 -14.7424 -8.0960 -8.0950 -5.1969 -5.1922 -4.8289 -4.8158 -4.1910 -4.1698 -3.4754 -3.4696 -3.2193 -3.2134 -2.5760 -2.5720 -1.7848 -1.7795 -1.0820 -1.0725 -0.9766 -0.9673 -0.4417 -0.4383 -0.2836 -0.2811 -0.0601 -0.0586 0.0293 0.0301 0.2213 0.2225 0.5702 0.5722 0.6415 0.6436 0.8137 0.8142 1.3697 1.3699 1.4230 1.4236 1.5164 1.5167 6.2461 6.2469 9.2012 9.2138 9.5472 9.5576 10.2860 10.3305 10.5585 10.6018 11.5573 11.5782 k = 0.5234 0.3271-0.3103 ( 8856 PWs) bands (ev): -46.3809 -46.3809 -19.1359 -19.1353 -18.4686 -18.4631 -18.3219 -18.3184 -18.2520 -18.2490 -17.9776 -17.9762 -16.6258 -16.6219 -16.5048 -16.5023 -15.9697 -15.9642 -14.9153 -14.9127 -14.7434 -14.7432 -8.0944 -8.0930 -5.1971 -5.1901 -4.8358 -4.8167 -4.1942 -4.1630 -3.4733 -3.4647 -3.2203 -3.2113 -2.5898 -2.5841 -1.7770 -1.7690 -1.0867 -1.0731 -0.9783 -0.9649 -0.4442 -0.4391 -0.2845 -0.2807 -0.0590 -0.0568 0.0307 0.0320 0.2268 0.2285 0.5644 0.5671 0.6444 0.6473 0.8126 0.8134 1.3687 1.3690 1.4235 1.4244 1.5142 1.5147 6.2479 6.2490 9.1977 9.2164 9.5417 9.5572 10.2442 10.2956 10.6005 10.6502 11.5447 11.5760 k = 0.5311 0.3320-0.2951 ( 8853 PWs) bands (ev): -46.3809 -46.3809 -19.1364 -19.1356 -18.4692 -18.4620 -18.3222 -18.3176 -18.2523 -18.2483 -17.9770 -17.9750 -16.6262 -16.6211 -16.5047 -16.5015 -15.9757 -15.9684 -14.9117 -14.9083 -14.7445 -14.7442 -8.0922 -8.0903 -5.1970 -5.1878 -4.8439 -4.8192 -4.1966 -4.1558 -3.4698 -3.4584 -3.2211 -3.2088 -2.6081 -2.6008 -1.7659 -1.7554 -1.0921 -1.0750 -0.9794 -0.9628 -0.4474 -0.4407 -0.2851 -0.2801 -0.0573 -0.0546 0.0331 0.0350 0.2339 0.2362 0.5571 0.5603 0.6483 0.6516 0.8112 0.8122 1.3672 1.3677 1.4242 1.4253 1.5113 1.5120 6.2503 6.2518 9.1941 9.2186 9.5356 9.5559 10.2015 10.2565 10.6487 10.7017 11.5295 11.5709 k = 0.5389 0.3368-0.2799 ( 8851 PWs) bands (ev): -46.3809 -46.3809 -19.1370 -19.1360 -18.4697 -18.4608 -18.3223 -18.3167 -18.2525 -18.2476 -17.9760 -17.9737 -16.6266 -16.6203 -16.5046 -16.5006 -15.9828 -15.9738 -14.9071 -14.9029 -14.7459 -14.7455 -8.0893 -8.0869 -5.1964 -5.1852 -4.8531 -4.8234 -4.1980 -4.1483 -3.4650 -3.4511 -3.2216 -3.2060 -2.6303 -2.6217 -1.7519 -1.7391 -1.0979 -1.0781 -0.9802 -0.9609 -0.4516 -0.4435 -0.2852 -0.2791 -0.0552 -0.0520 0.0368 0.0393 0.2424 0.2451 0.5485 0.5522 0.6527 0.6564 0.8093 0.8106 1.3656 1.3662 1.4252 1.4265 1.5077 1.5085 6.2533 6.2551 9.1904 9.2203 9.5291 9.5539 10.1591 10.2164 10.6994 10.7548 11.5119 11.5631 k = 0.5467 0.3417-0.2646 ( 8853 PWs) bands (ev): -46.3809 -46.3809 -19.1377 -19.1365 -18.4700 -18.4596 -18.3224 -18.3159 -18.2527 -18.2469 -17.9748 -17.9721 -16.6269 -16.6196 -16.5043 -16.4997 -15.9909 -15.9804 -14.9016 -14.8967 -14.7476 -14.7470 -8.0857 -8.0830 -5.1953 -5.1823 -4.8632 -4.8293 -4.1985 -4.1406 -3.4593 -3.4429 -3.2220 -3.2028 -2.6558 -2.6460 -1.7356 -1.7205 -1.1041 -1.0822 -0.9807 -0.9594 -0.4568 -0.4474 -0.2845 -0.2773 -0.0528 -0.0491 0.0419 0.0451 0.2516 0.2549 0.5389 0.5429 0.6575 0.6614 0.8070 0.8086 1.3638 1.3646 1.4263 1.4278 1.5034 1.5044 6.2569 6.2590 9.1866 9.2214 9.5228 9.5516 10.1175 10.1767 10.7508 10.8083 11.4925 11.5530 k = 0.5545 0.3466-0.2494 ( 8845 PWs) bands (ev): -46.3809 -46.3809 -19.1385 -19.1372 -18.4702 -18.4585 -18.3223 -18.3150 -18.2528 -18.2461 -17.9734 -17.9704 -16.6272 -16.6188 -16.5039 -16.4989 -15.9999 -15.9878 -14.8953 -14.8897 -14.7495 -14.7489 -8.0817 -8.0785 -5.1938 -5.1792 -4.8740 -4.8367 -4.1981 -4.1329 -3.4527 -3.4339 -3.2223 -3.1991 -2.6839 -2.6733 -1.7174 -1.6999 -1.1104 -1.0870 -0.9810 -0.9584 -0.4629 -0.4526 -0.2825 -0.2747 -0.0501 -0.0460 0.0484 0.0524 0.2612 0.2650 0.5282 0.5327 0.6625 0.6665 0.8041 0.8061 1.3620 1.3630 1.4277 1.4293 1.4984 1.4996 6.2609 6.2633 9.1827 9.2217 9.5172 9.5495 10.0769 10.1378 10.8017 10.8613 11.4717 11.5408 k = 0.5623 0.3514-0.2342 ( 8841 PWs) bands (ev): -46.3809 -46.3809 -19.1395 -19.1380 -18.4703 -18.4573 -18.3220 -18.3141 -18.2528 -18.2454 -17.9717 -17.9684 -16.6274 -16.6181 -16.5035 -16.4981 -16.0094 -15.9959 -14.8884 -14.8822 -14.7518 -14.7510 -8.0771 -8.0735 -5.1918 -5.1759 -4.8853 -4.8454 -4.1969 -4.1253 -3.4455 -3.4245 -3.2225 -3.1951 -2.7140 -2.7026 -1.6976 -1.6778 -1.1167 -1.0923 -0.9814 -0.9579 -0.4701 -0.4591 -0.2792 -0.2709 -0.0472 -0.0428 0.0564 0.0612 0.2707 0.2752 0.5168 0.5216 0.6676 0.6716 0.8007 0.8031 1.3602 1.3615 1.4292 1.4309 1.4928 1.4943 6.2651 6.2678 9.1788 9.2211 9.5126 9.5477 10.0373 10.0999 10.8507 10.9126 11.4505 11.5268 k = 0.5701 0.3563-0.2190 ( 8835 PWs) bands (ev): -46.3809 -46.3809 -19.1405 -19.1389 -18.4703 -18.4562 -18.3217 -18.3132 -18.2528 -18.2447 -17.9698 -17.9663 -16.6276 -16.6174 -16.5031 -16.4973 -16.0192 -16.0046 -14.8809 -14.8743 -14.7543 -14.7534 -8.0721 -8.0682 -5.1894 -5.1725 -4.8970 -4.8555 -4.1950 -4.1177 -3.4380 -3.4147 -3.2228 -3.1908 -2.7452 -2.7331 -1.6767 -1.6545 -1.1227 -1.0977 -0.9820 -0.9580 -0.4781 -0.4667 -0.2744 -0.2658 -0.0441 -0.0396 0.0658 0.0713 0.2799 0.2852 0.5046 0.5098 0.6727 0.6767 0.7968 0.7996 1.3587 1.3602 1.4307 1.4326 1.4868 1.4886 6.2695 6.2724 9.1749 9.2197 9.5094 9.5467 9.9986 10.0630 10.8968 10.9609 11.4301 11.5117 k = 0.5778 0.3611-0.2038 ( 8837 PWs) bands (ev): -46.3809 -46.3809 -19.1417 -19.1399 -18.4701 -18.4552 -18.3212 -18.3123 -18.2527 -18.2440 -17.9677 -17.9640 -16.6277 -16.6168 -16.5028 -16.4968 -16.0292 -16.0134 -14.8732 -14.8661 -14.7570 -14.7561 -8.0668 -8.0625 -5.1865 -5.1691 -4.9088 -4.8667 -4.1923 -4.1103 -3.4304 -3.4049 -3.2235 -3.1868 -2.7767 -2.7640 -1.6550 -1.6302 -1.1283 -1.1029 -0.9831 -0.9588 -0.4867 -0.4751 -0.2682 -0.2595 -0.0411 -0.0364 0.0761 0.0824 0.2886 0.2947 0.4917 0.4974 0.6776 0.6816 0.7925 0.7957 1.3575 1.3592 1.4324 1.4345 1.4804 1.4826 6.2739 6.2769 9.1711 9.2174 9.5077 9.5467 9.9607 10.0272 10.9383 11.0042 11.4125 11.4965 k = 0.5856 0.3660-0.1886 ( 8832 PWs) bands (ev): -46.3809 -46.3809 -19.1429 -19.1410 -18.4698 -18.4542 -18.3205 -18.3114 -18.2526 -18.2434 -17.9655 -17.9616 -16.6278 -16.6162 -16.5025 -16.4964 -16.0391 -16.0223 -14.8652 -14.8578 -14.7600 -14.7590 -8.0612 -8.0567 -5.1833 -5.1657 -4.9205 -4.8788 -4.1891 -4.1030 -3.4229 -3.3952 -3.2251 -3.1835 -2.8075 -2.7939 -1.6329 -1.6054 -1.1333 -1.1076 -0.9847 -0.9603 -0.4957 -0.4842 -0.2605 -0.2520 -0.0381 -0.0332 0.0873 0.0943 0.2964 0.3036 0.4783 0.4844 0.6821 0.6862 0.7878 0.7915 1.3567 1.3587 1.4340 1.4364 1.4737 1.4765 6.2781 6.2813 9.1675 9.2146 9.5077 9.5481 9.9237 9.9924 10.9734 11.0396 11.4004 11.4824 k = 0.5934 0.3709-0.1734 ( 8840 PWs) bands (ev): -46.3809 -46.3809 -19.1442 -19.1423 -18.4695 -18.4532 -18.3198 -18.3105 -18.2524 -18.2428 -17.9630 -17.9591 -16.6279 -16.6157 -16.5023 -16.4963 -16.0485 -16.0310 -14.8572 -14.8495 -14.7633 -14.7621 -8.0555 -8.0507 -5.1797 -5.1623 -4.9320 -4.8917 -4.1853 -4.0960 -3.4159 -3.3859 -3.2282 -3.1819 -2.8363 -2.8218 -1.6106 -1.5803 -1.1374 -1.1114 -0.9872 -0.9628 -0.5049 -0.4935 -0.2516 -0.2434 -0.0354 -0.0301 0.0989 0.1068 0.3033 0.3116 0.4646 0.4712 0.6859 0.6901 0.7832 0.7872 1.3564 1.3585 1.4353 1.4382 1.4669 1.4705 6.2820 6.2853 9.1643 9.2114 9.5091 9.5509 9.8874 9.9588 10.9998 11.0639 11.3972 11.4715 k = 0.6012 0.3757-0.1582 ( 8834 PWs) bands (ev): -46.3809 -46.3809 -19.1457 -19.1436 -18.4689 -18.4524 -18.3189 -18.3096 -18.2522 -18.2423 -17.9604 -17.9566 -16.6280 -16.6154 -16.5023 -16.4964 -16.0574 -16.0393 -14.8492 -14.8413 -14.7667 -14.7654 -8.0497 -8.0447 -5.1761 -5.1591 -4.9430 -4.9051 -4.1810 -4.0893 -3.4095 -3.3771 -3.2337 -3.1831 -2.8616 -2.8462 -1.5885 -1.5552 -1.1404 -1.1140 -0.9905 -0.9661 -0.5140 -0.5029 -0.2416 -0.2337 -0.0329 -0.0272 0.1108 0.1194 0.3091 0.3187 0.4510 0.4580 0.6887 0.6930 0.7789 0.7832 1.3565 1.3590 1.4361 1.4398 1.4604 1.4650 6.2854 6.2887 9.1615 9.2082 9.5115 9.5552 9.8522 9.9264 11.0150 11.0747 11.4050 11.4662 k = 0.6090 0.3806-0.1430 ( 8832 PWs) bands (ev): -46.3809 -46.3809 -19.1472 -19.1451 -18.4683 -18.4516 -18.3179 -18.3087 -18.2520 -18.2418 -17.9578 -17.9540 -16.6281 -16.6151 -16.5025 -16.4969 -16.0654 -16.0469 -14.8414 -14.8333 -14.7704 -14.7688 -8.0440 -8.0389 -5.1728 -5.1559 -4.9533 -4.9187 -4.1764 -4.0827 -3.4040 -3.3691 -3.2421 -3.1885 -2.8815 -2.8657 -1.5669 -1.5304 -1.1420 -1.1151 -0.9949 -0.9705 -0.5229 -0.5120 -0.2307 -0.2231 -0.0309 -0.0246 0.1226 0.1319 0.3136 0.3246 0.4377 0.4453 0.6898 0.6943 0.7755 0.7800 1.3572 1.3599 1.4358 1.4404 1.4550 1.4606 6.2882 6.2915 9.1593 9.2055 9.5142 9.5610 9.8182 9.8956 11.0175 11.0722 11.4226 11.4693 k = 0.6168 0.3855-0.1278 ( 8851 PWs) bands (ev): -46.3809 -46.3809 -19.1488 -19.1467 -18.4676 -18.4509 -18.3168 -18.3079 -18.2517 -18.2415 -17.9550 -17.9514 -16.6281 -16.6149 -16.5030 -16.4977 -16.0724 -16.0537 -14.8340 -14.8257 -14.7742 -14.7725 -8.0385 -8.0332 -5.1704 -5.1524 -4.9631 -4.9320 -4.1713 -4.0764 -3.3998 -3.3622 -3.2539 -3.1992 -2.8948 -2.8793 -1.5460 -1.5063 -1.1420 -1.1143 -1.0005 -0.9760 -0.5313 -0.5208 -0.2191 -0.2117 -0.0295 -0.0226 0.1339 0.1440 0.3166 0.3289 0.4253 0.4336 0.6886 0.6934 0.7738 0.7781 1.3583 1.3613 1.4338 1.4383 1.4523 1.4581 6.2901 6.2934 9.1576 9.2036 9.5166 9.5679 9.7861 9.8666 11.0072 11.0590 11.4438 11.4843 k = 0.6168 0.3855-0.1278 ( 8851 PWs) bands (ev): -46.3809 -46.3809 -19.1488 -19.1467 -18.4676 -18.4509 -18.3168 -18.3079 -18.2517 -18.2415 -17.9550 -17.9514 -16.6281 -16.6149 -16.5030 -16.4977 -16.0724 -16.0537 -14.8340 -14.8257 -14.7742 -14.7725 -8.0385 -8.0332 -5.1704 -5.1524 -4.9631 -4.9320 -4.1713 -4.0764 -3.3998 -3.3622 -3.2539 -3.1992 -2.8948 -2.8793 -1.5460 -1.5063 -1.1420 -1.1143 -1.0005 -0.9760 -0.5313 -0.5208 -0.2191 -0.2117 -0.0295 -0.0226 0.1339 0.1440 0.3166 0.3289 0.4253 0.4336 0.6886 0.6934 0.7738 0.7781 1.3583 1.3613 1.4338 1.4383 1.4523 1.4581 6.2901 6.2934 9.1576 9.2036 9.5166 9.5679 9.7861 9.8666 11.0072 11.0590 11.4438 11.4843 k = 0.6115 0.3822-0.1116 ( 8849 PWs) bands (ev): -46.3809 -46.3809 -19.1518 -19.1496 -18.4660 -18.4497 -18.3144 -18.3062 -18.2512 -18.2410 -17.9485 -17.9451 -16.6293 -16.6163 -16.5088 -16.5039 -16.0812 -16.0630 -14.8284 -14.8203 -14.7725 -14.7706 -8.0246 -8.0194 -5.1738 -5.1550 -4.9768 -4.9473 -4.1563 -4.0593 -3.4205 -3.3809 -3.2699 -3.2176 -2.8976 -2.8841 -1.5190 -1.4773 -1.1343 -1.1062 -0.9842 -0.9605 -0.5499 -0.5385 -0.1978 -0.1907 -0.0297 -0.0229 0.1325 0.1432 0.3118 0.3238 0.4092 0.4187 0.6890 0.6939 0.7738 0.7783 1.3605 1.3635 1.4309 1.4346 1.4528 1.4579 6.2927 6.2958 9.1637 9.2124 9.5169 9.5721 9.7443 9.8289 10.9720 11.0172 11.4639 11.5054 k = 0.6062 0.3788-0.0954 ( 8853 PWs) bands (ev): -46.3809 -46.3809 -19.1548 -19.1527 -18.4644 -18.4485 -18.3121 -18.3045 -18.2507 -18.2405 -17.9417 -17.9385 -16.6303 -16.6176 -16.5149 -16.5105 -16.0895 -16.0719 -14.8229 -14.8150 -14.7709 -14.7690 -8.0107 -8.0056 -5.1778 -5.1581 -4.9899 -4.9624 -4.1410 -4.0422 -3.4426 -3.4021 -3.2859 -3.2356 -2.8986 -2.8871 -1.4915 -1.4480 -1.1255 -1.0970 -0.9681 -0.9452 -0.5688 -0.5567 -0.1759 -0.1692 -0.0302 -0.0238 0.1309 0.1423 0.3062 0.3177 0.3939 0.4046 0.6894 0.6945 0.7735 0.7781 1.3618 1.3650 1.4280 1.4312 1.4537 1.4582 6.2944 6.2974 9.1683 9.2200 9.5168 9.5768 9.7045 9.7937 10.9336 10.9732 11.4820 11.5292 k = 0.6008 0.3755-0.0792 ( 8845 PWs) bands (ev): -46.3809 -46.3809 -19.1580 -19.1559 -18.4628 -18.4474 -18.3097 -18.3027 -18.2503 -18.2400 -17.9346 -17.9316 -16.6312 -16.6188 -16.5213 -16.5174 -16.0973 -16.0804 -14.8176 -14.8099 -14.7694 -14.7674 -7.9969 -7.9919 -5.1821 -5.1614 -5.0026 -4.9770 -4.1254 -4.0250 -3.4656 -3.4248 -3.3027 -3.2537 -2.8979 -2.8884 -1.4636 -1.4186 -1.1153 -1.0868 -0.9524 -0.9303 -0.5878 -0.5751 -0.1536 -0.1479 -0.0307 -0.0249 0.1291 0.1412 0.2995 0.3103 0.3798 0.3918 0.6900 0.6952 0.7727 0.7774 1.3620 1.3653 1.4257 1.4287 1.4549 1.4589 6.2955 6.2983 9.1713 9.2261 9.5154 9.5821 9.6675 9.7616 10.8929 10.9279 11.4999 11.5534 k = 0.5955 0.3722-0.0631 ( 8845 PWs) bands (ev): -46.3809 -46.3809 -19.1613 -19.1592 -18.4612 -18.4463 -18.3073 -18.3010 -18.2498 -18.2396 -17.9274 -17.9245 -16.6320 -16.6199 -16.5280 -16.5245 -16.1046 -16.0884 -14.8124 -14.8051 -14.7680 -14.7660 -7.9834 -7.9785 -5.1869 -5.1652 -5.0146 -4.9912 -4.1094 -4.0078 -3.4889 -3.4484 -3.3205 -3.2720 -2.8958 -2.8881 -1.4355 -1.3892 -1.1038 -1.0754 -0.9371 -0.9158 -0.6067 -0.5934 -0.1316 -0.1273 -0.0308 -0.0260 0.1265 0.1395 0.2918 0.3018 0.3673 0.3806 0.6908 0.6962 0.7715 0.7763 1.3608 1.3641 1.4246 1.4274 1.4562 1.4599 6.2959 6.2985 9.1724 9.2301 9.5120 9.5878 9.6342 9.7334 10.8509 10.8818 11.5182 11.5770 k = 0.5902 0.3689-0.0469 ( 8859 PWs) bands (ev): -46.3809 -46.3809 -19.1645 -19.1625 -18.4597 -18.4453 -18.3049 -18.2993 -18.2493 -18.2392 -17.9201 -17.9173 -16.6327 -16.6211 -16.5349 -16.5318 -16.1114 -16.0959 -14.8075 -14.8004 -14.7667 -14.7647 -7.9701 -7.9653 -5.1919 -5.1693 -5.0260 -5.0048 -4.0932 -3.9905 -3.5122 -3.4723 -3.3394 -3.2908 -2.8925 -2.8865 -1.4075 -1.3602 -1.0908 -1.0629 -0.9224 -0.9018 -0.6254 -0.6117 -0.1111 -0.1084 -0.0301 -0.0259 0.1228 0.1367 0.2832 0.2924 0.3567 0.3712 0.6918 0.6973 0.7699 0.7746 1.3580 1.3613 1.4247 1.4276 1.4576 1.4611 6.2958 6.2982 9.1713 9.2315 9.5058 9.5927 9.6067 9.7099 10.8084 10.8356 11.5371 11.5994 k = 0.5849 0.3656-0.0307 ( 8838 PWs) bands (ev): -46.3809 -46.3809 -19.1678 -19.1659 -18.4581 -18.4443 -18.3025 -18.2976 -18.2488 -18.2388 -17.9126 -17.9100 -16.6334 -16.6221 -16.5420 -16.5392 -16.1178 -16.1030 -14.8027 -14.7959 -14.7655 -14.7635 -7.9570 -7.9525 -5.1970 -5.1737 -5.0367 -5.0178 -4.0767 -3.9731 -3.5351 -3.4960 -3.3594 -3.3101 -2.8883 -2.8837 -1.3797 -1.3318 -1.0764 -1.0492 -0.9084 -0.8882 -0.6439 -0.6296 -0.0949 -0.0912 -0.0281 -0.0225 0.1176 0.1325 0.2745 0.2833 0.3479 0.3633 0.6931 0.6987 0.7679 0.7726 1.3538 1.3569 1.4262 1.4290 1.4591 1.4623 6.2952 6.2975 9.1679 9.2299 9.4964 9.5792 9.6031 9.6917 10.7659 10.7898 11.5563 11.6206 k = 0.5796 0.3623-0.0145 ( 8846 PWs) bands (ev): -46.3809 -46.3809 -19.1711 -19.1692 -18.4567 -18.4435 -18.3003 -18.2959 -18.2484 -18.2385 -17.9051 -17.9027 -16.6341 -16.6232 -16.5491 -16.5466 -16.1236 -16.1096 -14.7982 -14.7917 -14.7643 -14.7624 -7.9444 -7.9400 -5.2023 -5.1785 -5.0466 -5.0301 -4.0599 -3.9556 -3.5574 -3.5193 -3.3804 -3.3301 -2.8836 -2.8800 -1.3522 -1.3043 -1.0605 -1.0343 -0.8950 -0.8753 -0.6619 -0.6472 -0.0852 -0.0779 -0.0229 -0.0141 0.1103 0.1263 0.2666 0.2751 0.3404 0.3565 0.6947 0.7004 0.7656 0.7702 1.3483 1.3513 1.4286 1.4314 1.4607 1.4637 6.2943 6.2963 9.1621 9.2246 9.4849 9.5602 9.6101 9.6789 10.7240 10.7449 11.5755 11.6405 k = 0.5743 0.3589 0.0016 ( 8835 PWs) bands (ev): -46.3809 -46.3809 -19.1743 -19.1725 -18.4552 -18.4427 -18.2981 -18.2943 -18.2479 -18.2381 -17.8977 -17.8954 -16.6347 -16.6243 -16.5561 -16.5539 -16.1290 -16.1157 -14.7940 -14.7878 -14.7633 -14.7614 -7.9322 -7.9280 -5.2076 -5.1836 -5.0559 -5.0416 -4.0428 -3.9379 -3.5789 -3.5418 -3.4021 -3.3506 -2.8784 -2.8756 -1.3253 -1.2778 -1.0433 -1.0184 -0.8825 -0.8629 -0.6794 -0.6643 -0.0809 -0.0713 -0.0123 -0.0019 0.1011 0.1184 0.2601 0.2688 0.3338 0.3505 0.6966 0.7023 0.7630 0.7675 1.3418 1.3447 1.4318 1.4345 1.4623 1.4650 6.2930 6.2949 9.1538 9.2155 9.4733 9.5442 9.6181 9.6712 10.6830 10.7012 11.5947 11.6590 k = 0.5690 0.3556 0.0178 ( 8826 PWs) bands (ev): -46.3809 -46.3809 -19.1774 -19.1756 -18.4538 -18.4419 -18.2960 -18.2928 -18.2474 -18.2379 -17.8904 -17.8882 -16.6353 -16.6255 -16.5631 -16.5610 -16.1339 -16.1214 -14.7900 -14.7842 -14.7623 -14.7605 -7.9205 -7.9165 -5.2129 -5.1889 -5.0644 -5.0523 -4.0254 -3.9201 -3.5995 -3.5635 -3.4244 -3.3716 -2.8730 -2.8708 -1.2992 -1.2526 -1.0249 -1.0014 -0.8708 -0.8510 -0.6964 -0.6808 -0.0804 -0.0703 0.0017 0.0115 0.0905 0.1097 0.2556 0.2645 0.3280 0.3451 0.6987 0.7045 0.7601 0.7645 1.3348 1.3375 1.4355 1.4380 1.4639 1.4665 6.2915 6.2933 9.1435 9.2026 9.4634 9.5306 9.6266 9.6675 10.6433 10.6591 11.6134 11.6761 k = 0.5637 0.3523 0.0340 ( 8828 PWs) bands (ev): -46.3809 -46.3809 -19.1804 -19.1787 -18.4525 -18.4413 -18.2940 -18.2914 -18.2469 -18.2377 -17.8832 -17.8812 -16.6359 -16.6267 -16.5698 -16.5678 -16.1383 -16.1266 -14.7863 -14.7809 -14.7613 -14.7596 -7.9094 -7.9057 -5.2180 -5.1944 -5.0722 -5.0622 -4.0077 -3.9020 -3.6190 -3.5841 -3.4472 -3.3930 -2.8676 -2.8656 -1.2740 -1.2289 -1.0055 -0.9835 -0.8601 -0.8397 -0.7127 -0.6966 -0.0820 -0.0723 0.0142 0.0222 0.0806 0.1029 0.2532 0.2623 0.3226 0.3399 0.7012 0.7069 0.7571 0.7613 1.3273 1.3299 1.4394 1.4417 1.4656 1.4679 6.2898 6.2914 9.1313 9.1865 9.4561 9.5191 9.6353 9.6668 10.6053 10.6188 11.6317 11.6919 k = 0.5584 0.3490 0.0502 ( 8824 PWs) bands (ev): -46.3809 -46.3809 -19.1832 -19.1817 -18.4512 -18.4408 -18.2921 -18.2900 -18.2464 -18.2376 -17.8763 -17.8744 -16.6366 -16.6280 -16.5761 -16.5744 -16.1422 -16.1314 -14.7829 -14.7779 -14.7603 -14.7588 -7.8989 -7.8954 -5.2229 -5.1999 -5.0793 -5.0713 -3.9898 -3.8838 -3.6374 -3.6034 -3.4702 -3.4148 -2.8623 -2.8604 -1.2498 -1.2066 -0.9856 -0.9649 -0.8505 -0.8289 -0.7281 -0.7115 -0.0848 -0.0758 0.0188 0.0254 0.0773 0.1022 0.2524 0.2617 0.3175 0.3349 0.7038 0.7095 0.7539 0.7579 1.3197 1.3222 1.4433 1.4455 1.4673 1.4693 6.2880 6.2895 9.1177 9.1681 9.4514 9.5094 9.6441 9.6682 10.5692 10.5807 11.6492 11.7063 k = 0.5531 0.3457 0.0664 ( 8828 PWs) bands (ev): -46.3809 -46.3809 -19.1859 -19.1844 -18.4500 -18.4404 -18.2904 -18.2888 -18.2459 -18.2375 -17.8697 -17.8679 -16.6374 -16.6295 -16.5820 -16.5804 -16.1457 -16.1358 -14.7798 -14.7752 -14.7594 -14.7580 -7.8891 -7.8859 -5.2275 -5.2055 -5.0857 -5.0794 -3.9715 -3.8653 -3.6546 -3.6213 -3.4933 -3.4369 -2.8571 -2.8553 -1.2267 -1.1859 -0.9657 -0.9458 -0.8420 -0.8188 -0.7427 -0.7252 -0.0882 -0.0800 0.0126 0.0175 0.0849 0.1093 0.2530 0.2625 0.3126 0.3299 0.7067 0.7122 0.7507 0.7544 1.3121 1.3144 1.4472 1.4491 1.4690 1.4708 6.2862 6.2875 9.1034 9.1484 9.4489 9.5015 9.6528 9.6710 10.5353 10.5449 11.6658 11.7192 k = 0.5478 0.3424 0.0825 ( 8831 PWs) bands (ev): -46.3809 -46.3809 -19.1883 -19.1870 -18.4488 -18.4401 -18.2889 -18.2876 -18.2454 -18.2375 -17.8634 -17.8618 -16.6383 -16.6311 -16.5874 -16.5860 -16.1488 -16.1398 -14.7771 -14.7730 -14.7584 -14.7573 -7.8800 -7.8771 -5.2318 -5.2111 -5.0915 -5.0868 -3.9530 -3.8466 -3.6707 -3.6377 -3.5163 -3.4592 -2.8522 -2.8503 -1.2049 -1.1669 -0.9462 -0.9265 -0.8347 -0.8095 -0.7560 -0.7373 -0.0919 -0.0845 -0.0008 0.0027 0.0988 0.1216 0.2546 0.2641 0.3078 0.3248 0.7097 0.7150 0.7475 0.7509 1.3046 1.3067 1.4508 1.4524 1.4707 1.4722 6.2844 6.2856 9.0888 9.1283 9.4482 9.4949 9.6612 9.6747 10.5037 10.5117 11.6815 11.7308 k = 0.5425 0.3390 0.0987 ( 8825 PWs) bands (ev): -46.3809 -46.3809 -19.1906 -19.1894 -18.4477 -18.4399 -18.2874 -18.2865 -18.2448 -18.2375 -17.8576 -17.8561 -16.6392 -16.6329 -16.5921 -16.5909 -16.1514 -16.1433 -14.7746 -14.7710 -14.7575 -14.7566 -7.8717 -7.8691 -5.2356 -5.2164 -5.0966 -5.0932 -3.9343 -3.8276 -3.6856 -3.6524 -3.5391 -3.4816 -2.8475 -2.8457 -1.1844 -1.1495 -0.9278 -0.9076 -0.8290 -0.8014 -0.7678 -0.7473 -0.0957 -0.0891 -0.0174 -0.0146 0.1145 0.1359 0.2567 0.2662 0.3031 0.3196 0.7128 0.7178 0.7445 0.7476 1.2974 1.2993 1.4541 1.4555 1.4725 1.4736 6.2826 6.2837 9.0745 9.1085 9.4487 9.4897 9.6692 9.6788 10.4748 10.4813 11.6961 11.7408 k = 0.5372 0.3357 0.1149 ( 8833 PWs) bands (ev): -46.3809 -46.3809 -19.1926 -19.1916 -18.4467 -18.4398 -18.2862 -18.2856 -18.2443 -18.2377 -17.8523 -17.8510 -16.6403 -16.6348 -16.5961 -16.5952 -16.1537 -16.1465 -14.7726 -14.7695 -14.7565 -14.7558 -7.8643 -7.8619 -5.2389 -5.2216 -5.1012 -5.0988 -3.9154 -3.8084 -3.6995 -3.6652 -3.5615 -3.5041 -2.8432 -2.8416 -1.1655 -1.1339 -0.9110 -0.8899 -0.8250 -0.7959 -0.7765 -0.7541 -0.0993 -0.0936 -0.0349 -0.0326 0.1303 0.1506 0.2592 0.2684 0.2987 0.3142 0.7158 0.7205 0.7417 0.7444 1.2906 1.2923 1.4571 1.4582 1.4742 1.4750 6.2809 6.2819 9.0609 9.0898 9.4501 9.4854 9.6766 9.6831 10.4487 10.4539 11.7095 11.7493 k = 0.5318 0.3324 0.1311 ( 8844 PWs) bands (ev): -46.3809 -46.3809 -19.1944 -19.1935 -18.4457 -18.4398 -18.2852 -18.2848 -18.2437 -18.2379 -17.8475 -17.8464 -16.6414 -16.6368 -16.5994 -16.5988 -16.1555 -16.1493 -14.7708 -14.7682 -14.7556 -14.7551 -7.8577 -7.8557 -5.2417 -5.2264 -5.1051 -5.1036 -3.8964 -3.7890 -3.7124 -3.6760 -3.5832 -3.5265 -2.8394 -2.8379 -1.1480 -1.1201 -0.8962 -0.8748 -0.8227 -0.7971 -0.7783 -0.7569 -0.1028 -0.0979 -0.0520 -0.0500 0.1453 0.1646 0.2617 0.2705 0.2945 0.3087 0.7187 0.7230 0.7392 0.7415 1.2844 1.2859 1.4597 1.4605 1.4758 1.4764 6.2794 6.2802 9.0485 9.0727 9.4520 9.4819 9.6832 9.6874 10.4256 10.4297 11.7217 11.7563 k = 0.5265 0.3291 0.1472 ( 8843 PWs) bands (ev): -46.3809 -46.3809 -19.1959 -19.1951 -18.4448 -18.4398 -18.2843 -18.2840 -18.2431 -18.2381 -17.8434 -17.8424 -16.6426 -16.6388 -16.6021 -16.6017 -16.1570 -16.1518 -14.7694 -14.7673 -14.7548 -14.7545 -7.8520 -7.8503 -5.2439 -5.2308 -5.1085 -5.1076 -3.8774 -3.7695 -3.7247 -3.6847 -3.6039 -3.5488 -2.8360 -2.8347 -1.1323 -1.1082 -0.8839 -0.8637 -0.8214 -0.8028 -0.7744 -0.7557 -0.1061 -0.1019 -0.0678 -0.0661 0.1593 0.1774 0.2640 0.2723 0.2909 0.3031 0.7213 0.7251 0.7371 0.7389 1.2789 1.2802 1.4618 1.4624 1.4773 1.4777 6.2781 6.2788 9.0378 9.0573 9.4543 9.4789 9.6890 9.6915 10.4057 10.4089 11.7326 11.7618 k = 0.5212 0.3258 0.1634 ( 8850 PWs) bands (ev): -46.3809 -46.3809 -19.1971 -19.1965 -18.4440 -18.4400 -18.2835 -18.2834 -18.2425 -18.2385 -17.8399 -17.8391 -16.6436 -16.6407 -16.6042 -16.6040 -16.1580 -16.1539 -14.7682 -14.7666 -14.7540 -14.7539 -7.8473 -7.8460 -5.2455 -5.2348 -5.1113 -5.1108 -3.8585 -3.7501 -3.7363 -3.6910 -3.6230 -3.5709 -2.8332 -2.8321 -1.1184 -1.0985 -0.8745 -0.8577 -0.8197 -0.8083 -0.7686 -0.7524 -0.1091 -0.1058 -0.0814 -0.0801 0.1721 0.1887 0.2657 0.2737 0.2881 0.2975 0.7235 0.7267 0.7356 0.7369 1.2742 1.2753 1.4635 1.4639 1.4787 1.4789 6.2770 6.2775 9.0289 9.0442 9.4568 9.4763 9.6938 9.6951 10.3892 10.3915 11.7421 11.7657 k = 0.5159 0.3224 0.1796 ( 8850 PWs) bands (ev): -46.3809 -46.3809 -19.1981 -19.1976 -18.4433 -18.4402 -18.2830 -18.2829 -18.2419 -18.2388 -17.8371 -17.8366 -16.6445 -16.6424 -16.6057 -16.6056 -16.1588 -16.1556 -14.7673 -14.7661 -14.7534 -14.7534 -7.8436 -7.8426 -5.2464 -5.2383 -5.1135 -5.1133 -3.8399 -3.7488 -3.7302 -3.6949 -3.6399 -3.5927 -2.8309 -2.8300 -1.1066 -1.0913 -0.8682 -0.8561 -0.8174 -0.8120 -0.7620 -0.7487 -0.1120 -0.1096 -0.0921 -0.0912 0.1835 0.1977 0.2667 0.2747 0.2862 0.2920 0.7251 0.7276 0.7348 0.7355 1.2705 1.2713 1.4648 1.4650 1.4798 1.4799 6.2761 6.2765 9.0221 9.0334 9.4594 9.4739 9.6976 9.6981 10.3762 10.3779 11.7502 11.7681 k = 0.5106 0.3191 0.1958 ( 8856 PWs) bands (ev): -46.3809 -46.3809 -19.1987 -19.1984 -18.4426 -18.4405 -18.2826 -18.2826 -18.2414 -18.2393 -17.8351 -17.8347 -16.6451 -16.6437 -16.6068 -16.6067 -16.1591 -16.1570 -14.7666 -14.7659 -14.7530 -14.7530 -7.8409 -7.8402 -5.2467 -5.2412 -5.1150 -5.1150 -3.8218 -3.7610 -3.7122 -3.6963 -3.6529 -3.6139 -2.8292 -2.8286 -1.0971 -1.0867 -0.8644 -0.8570 -0.8154 -0.8137 -0.7554 -0.7460 -0.1148 -0.1134 -0.0992 -0.0988 0.1930 0.2038 0.2674 0.2751 0.2850 0.2874 0.7262 0.7278 0.7345 0.7348 1.2678 1.2684 1.4657 1.4658 1.4807 1.4807 6.2755 6.2757 9.0176 9.0250 9.4620 9.4716 9.7003 9.7004 10.3669 10.3680 11.7569 11.7689 k = 0.5053 0.3158 0.2120 ( 8866 PWs) bands (ev): -46.3809 -46.3809 -19.1991 -19.1990 -18.4420 -18.4410 -18.2824 -18.2824 -18.2408 -18.2397 -17.8338 -17.8336 -16.6454 -16.6447 -16.6074 -16.6074 -16.1591 -16.1580 -14.7662 -14.7658 -14.7527 -14.7527 -7.8392 -7.8388 -5.2463 -5.2436 -5.1160 -5.1160 -3.8047 -3.7742 -3.6985 -3.6956 -3.6585 -3.6339 -2.8281 -2.8278 -1.0902 -1.0849 -0.8623 -0.8588 -0.8143 -0.8141 -0.7500 -0.7451 -0.1171 -0.1166 -0.1029 -0.1028 0.2004 0.2063 0.2688 0.2739 0.2842 0.2846 0.7267 0.7275 0.7346 0.7346 1.2662 1.2665 1.4662 1.4663 1.4812 1.4812 6.2751 6.2753 9.0156 9.0193 9.4645 9.4693 9.7019 9.7019 10.3614 10.3619 11.7622 11.7682 k = 0.5000 0.3125 0.2281 ( 8872 PWs) bands (ev): -46.3809 -46.3809 -19.1992 -19.1992 -18.4414 -18.4414 -18.2824 -18.2824 -18.2402 -18.2402 -17.8333 -17.8333 -16.6452 -16.6452 -16.6076 -16.6076 -16.1587 -16.1587 -14.7659 -14.7659 -14.7526 -14.7526 -7.8385 -7.8385 -5.2453 -5.2453 -5.1163 -5.1163 -3.7888 -3.7888 -3.6943 -3.6943 -3.6508 -3.6508 -2.8277 -2.8277 -1.0861 -1.0861 -0.8606 -0.8606 -0.8140 -0.8140 -0.7465 -0.7465 -0.1179 -0.1179 -0.1040 -0.1040 0.2051 0.2051 0.2712 0.2712 0.2839 0.2839 0.7271 0.7271 0.7346 0.7346 1.2658 1.2658 1.4664 1.4664 1.4813 1.4813 6.2750 6.2750 9.0161 9.0161 9.4669 9.4669 9.7024 9.7024 10.3597 10.3597 11.7659 11.7659 k = 0.5000-0.2438-0.1779 ( 8798 PWs) bands (ev): -46.3809 -46.3809 -19.1308 -19.1308 -18.4804 -18.4804 -18.3366 -18.3366 -18.2555 -18.2555 -18.0415 -18.0415 -16.6153 -16.6153 -16.3617 -16.3617 -15.8243 -15.8243 -14.9796 -14.9796 -14.8456 -14.8456 -8.3227 -8.3227 -5.0528 -5.0528 -4.7581 -4.7581 -4.2307 -4.2307 -3.6920 -3.6920 -2.7328 -2.7328 -2.4032 -2.4032 -1.9549 -1.9549 -1.6208 -1.6208 -1.0837 -1.0837 -0.4064 -0.4064 0.0431 0.0431 0.0797 0.0797 0.2557 0.2557 0.3183 0.3183 0.4701 0.4701 0.6459 0.6459 0.7196 0.7196 1.2734 1.2734 1.4476 1.4476 1.4898 1.4898 6.0985 6.0985 9.1574 9.1574 9.7959 9.7959 10.0364 10.0364 10.6598 10.6598 11.5348 11.5348 k = 0.5093-0.2313-0.1688 ( 8808 PWs) bands (ev): -46.3809 -46.3809 -19.1309 -19.1307 -18.4808 -18.4798 -18.3369 -18.3361 -18.2557 -18.2552 -18.0414 -18.0413 -16.6157 -16.6148 -16.3624 -16.3619 -15.8260 -15.8243 -14.9790 -14.9789 -14.8458 -14.8450 -8.3221 -8.3217 -5.0564 -5.0498 -4.7626 -4.7544 -4.2343 -4.2279 -3.6924 -3.6880 -2.7391 -2.7313 -2.4095 -2.3998 -1.9534 -1.9518 -1.6214 -1.6171 -1.0845 -1.0835 -0.4079 -0.4064 0.0343 0.0430 0.0798 0.0885 0.2503 0.2565 0.3174 0.3215 0.4695 0.4709 0.6437 0.6459 0.7199 0.7219 1.2736 1.2738 1.4476 1.4479 1.4895 1.4898 6.0989 6.0994 9.1550 9.1590 9.7869 9.7968 10.0288 10.0529 10.6474 10.6698 11.5275 11.5410 k = 0.5187-0.2188-0.1597 ( 8811 PWs) bands (ev): -46.3809 -46.3809 -19.1310 -19.1307 -18.4811 -18.4791 -18.3371 -18.3356 -18.2560 -18.2548 -18.0409 -18.0406 -16.6161 -16.6141 -16.3639 -16.3629 -15.8293 -15.8261 -14.9773 -14.9770 -14.8455 -14.8440 -8.3200 -8.3192 -5.0607 -5.0475 -4.7681 -4.7518 -4.2387 -4.2260 -3.6894 -3.6806 -2.7500 -2.7349 -2.4183 -2.3997 -1.9472 -1.9439 -1.6191 -1.6105 -1.0859 -1.0838 -0.4110 -0.4080 0.0227 0.0346 0.0885 0.1004 0.2414 0.2522 0.3193 0.3263 0.4693 0.4719 0.6399 0.6437 0.7226 0.7262 1.2742 1.2747 1.4480 1.4486 1.4887 1.4894 6.1008 6.1017 9.1518 9.1597 9.7718 9.7891 10.0306 10.0760 10.6331 10.6776 11.5198 11.5455 k = 0.5280-0.2063-0.1506 ( 8821 PWs) bands (ev): -46.3809 -46.3809 -19.1313 -19.1308 -18.4813 -18.4782 -18.3372 -18.3348 -18.2561 -18.2545 -18.0400 -18.0396 -16.6163 -16.6134 -16.3663 -16.3646 -15.8344 -15.8296 -14.9744 -14.9740 -14.8449 -14.8426 -8.3163 -8.3151 -5.0655 -5.0459 -4.7745 -4.7503 -4.2437 -4.2249 -3.6829 -3.6699 -2.7648 -2.7434 -2.4292 -2.4034 -1.9369 -1.9314 -1.6137 -1.6011 -1.0877 -1.0845 -0.4156 -0.4113 0.0109 0.0240 0.0995 0.1124 0.2300 0.2436 0.3237 0.3319 0.4693 0.4731 0.6349 0.6398 0.7273 0.7320 1.2754 1.2761 1.4487 1.4496 1.4877 1.4886 6.1041 6.1054 9.1478 9.1596 9.7531 9.7747 10.0395 10.1026 10.6176 10.6835 11.5126 11.5477 k = 0.5374-0.1938-0.1414 ( 8817 PWs) bands (ev): -46.3809 -46.3809 -19.1316 -19.1310 -18.4814 -18.4773 -18.3371 -18.3340 -18.2562 -18.2540 -18.0387 -18.0383 -16.6165 -16.6126 -16.3693 -16.3672 -15.8410 -15.8347 -14.9704 -14.9698 -14.8439 -14.8409 -8.3111 -8.3095 -5.0707 -5.0450 -4.7816 -4.7499 -4.2490 -4.2243 -3.6731 -3.6563 -2.7830 -2.7566 -2.4422 -2.4108 -1.9228 -1.9145 -1.6055 -1.5890 -1.0900 -1.0858 -0.4216 -0.4162 -0.0000 0.0136 0.1100 0.1229 0.2170 0.2320 0.3295 0.3381 0.4697 0.4746 0.6293 0.6347 0.7333 0.7387 1.2770 1.2781 1.4496 1.4509 1.4863 1.4876 6.1087 6.1104 9.1431 9.1587 9.7326 9.7564 10.0525 10.1300 10.6022 10.6883 11.5064 11.5477 k = 0.5467-0.1813-0.1323 ( 8815 PWs) bands (ev): -46.3809 -46.3809 -19.1319 -19.1312 -18.4813 -18.4762 -18.3369 -18.3330 -18.2562 -18.2535 -18.0371 -18.0365 -16.6166 -16.6117 -16.3732 -16.3705 -15.8491 -15.8413 -14.9653 -14.9646 -14.8426 -14.8390 -8.3045 -8.3024 -5.0764 -5.0448 -4.7895 -4.7507 -4.2543 -4.2241 -3.6603 -3.6398 -2.8041 -2.7739 -2.4572 -2.4221 -1.9056 -1.8935 -1.5944 -1.5744 -1.0927 -1.0874 -0.4289 -0.4226 -0.0097 0.0043 0.1183 0.1300 0.2040 0.2192 0.3360 0.3447 0.4705 0.4765 0.6235 0.6290 0.7400 0.7458 1.2792 1.2805 1.4505 1.4521 1.4848 1.4864 6.1146 6.1167 9.1377 9.1570 9.7116 9.7366 10.0664 10.1555 10.5887 10.6932 11.5015 11.5456 k = 0.5560-0.1688-0.1232 ( 8811 PWs) bands (ev): -46.3809 -46.3809 -19.1323 -19.1315 -18.4811 -18.4750 -18.3365 -18.3319 -18.2562 -18.2529 -18.0351 -18.0344 -16.6166 -16.6108 -16.3777 -16.3745 -15.8586 -15.8493 -14.9592 -14.9584 -14.8410 -14.8367 -8.2964 -8.2940 -5.0824 -5.0453 -4.7982 -4.7528 -4.2594 -4.2240 -3.6448 -3.6210 -2.8275 -2.7947 -2.4742 -2.4370 -1.8857 -1.8694 -1.5808 -1.5573 -1.0957 -1.0894 -0.4374 -0.4304 -0.0179 -0.0037 0.1223 0.1309 0.1933 0.2081 0.3426 0.3512 0.4720 0.4788 0.6175 0.6230 0.7469 0.7529 1.2819 1.2834 1.4512 1.4532 1.4832 1.4851 6.1216 6.1241 9.1319 9.1547 9.6908 9.7169 10.0790 10.1763 10.5795 10.6991 11.4981 11.5421 k = 0.5654-0.1563-0.1141 ( 8818 PWs) bands (ev): -46.3809 -46.3809 -19.1328 -19.1319 -18.4808 -18.4737 -18.3361 -18.3308 -18.2562 -18.2524 -18.0328 -18.0319 -16.6166 -16.6098 -16.3828 -16.3791 -15.8694 -15.8587 -14.9521 -14.9512 -14.8392 -14.8344 -8.2870 -8.2842 -5.0887 -5.0464 -4.8075 -4.7562 -4.2640 -4.2237 -3.6268 -3.5999 -2.8528 -2.8184 -2.4934 -2.4553 -1.8637 -1.8427 -1.5646 -1.5380 -1.0990 -1.0916 -0.4468 -0.4393 -0.0245 -0.0102 0.1182 0.1237 0.1874 0.2025 0.3490 0.3575 0.4744 0.4817 0.6113 0.6169 0.7537 0.7599 1.2851 1.2868 1.4515 1.4538 1.4817 1.4839 6.1297 6.1326 9.1257 9.1519 9.6708 9.6983 10.0886 10.1898 10.5771 10.7073 11.4963 11.5376 k = 0.5747-0.1438-0.1049 ( 8821 PWs) bands (ev): -46.3809 -46.3809 -19.1334 -19.1323 -18.4805 -18.4723 -18.3355 -18.3295 -18.2561 -18.2518 -18.0301 -18.0290 -16.6165 -16.6088 -16.3884 -16.3843 -15.8812 -15.8692 -14.9442 -14.9431 -14.8373 -14.8319 -8.2764 -8.2733 -5.0951 -5.0481 -4.8175 -4.7609 -4.2679 -4.2230 -3.6067 -3.5769 -2.8796 -2.8445 -2.5146 -2.4765 -1.8402 -1.8142 -1.5459 -1.5165 -1.1025 -1.0940 -0.4568 -0.4491 -0.0296 -0.0152 0.1034 0.1102 0.1865 0.2033 0.3547 0.3629 0.4778 0.4854 0.6052 0.6109 0.7603 0.7665 1.2888 1.2906 1.4512 1.4538 1.4804 1.4829 6.1387 6.1419 9.1195 9.1487 9.6520 9.6814 10.0941 10.1939 10.5833 10.7188 11.4960 11.5326 k = 0.5841-0.1313-0.0958 ( 8834 PWs) bands (ev): -46.3809 -46.3809 -19.1340 -19.1327 -18.4800 -18.4709 -18.3349 -18.3282 -18.2560 -18.2512 -18.0271 -18.0259 -16.6164 -16.6078 -16.3945 -16.3899 -15.8940 -15.8807 -14.9356 -14.9344 -14.8352 -14.8294 -8.2647 -8.2612 -5.1015 -5.0504 -4.8281 -4.7670 -4.2709 -4.2217 -3.5847 -3.5523 -2.9075 -2.8725 -2.5378 -2.5003 -1.8157 -1.7849 -1.5248 -1.4930 -1.1061 -1.0965 -0.4671 -0.4594 -0.0334 -0.0190 0.0824 0.0911 0.1893 0.2076 0.3593 0.3672 0.4824 0.4899 0.5990 0.6052 0.7664 0.7726 1.2929 1.2949 1.4502 1.4529 1.4796 1.4821 6.1486 6.1521 9.1133 9.1452 9.6345 9.6663 10.0949 10.1882 10.5988 10.7341 11.4973 11.5276 k = 0.5934-0.1188-0.0867 ( 8844 PWs) bands (ev): -46.3809 -46.3809 -19.1346 -19.1333 -18.4795 -18.4695 -18.3341 -18.3268 -18.2558 -18.2505 -18.0237 -18.0223 -16.6164 -16.6069 -16.4011 -16.3960 -15.9075 -15.8930 -14.9263 -14.9249 -14.8331 -14.8269 -8.2519 -8.2481 -5.1080 -5.0531 -4.8392 -4.7743 -4.2727 -4.2194 -3.5612 -3.5263 -2.9363 -2.9018 -2.5629 -2.5264 -1.7908 -1.7555 -1.5013 -1.4673 -1.1097 -1.0991 -0.4772 -0.4697 -0.0362 -0.0218 0.0586 0.0681 0.1939 0.2129 0.3625 0.3701 0.4881 0.4951 0.5930 0.5999 0.7720 0.7780 1.2974 1.2995 1.4483 1.4511 1.4791 1.4816 6.1591 6.1628 9.1074 9.1418 9.6187 9.6530 10.0910 10.1738 10.6225 10.7535 11.5000 11.5230 k = 0.6028-0.1063-0.0776 ( 8852 PWs) bands (ev): -46.3809 -46.3809 -19.1353 -19.1339 -18.4789 -18.4680 -18.3332 -18.3254 -18.2556 -18.2498 -18.0201 -18.0185 -16.6164 -16.6061 -16.4079 -16.4025 -15.9216 -15.9060 -14.9164 -14.9149 -14.8310 -14.8245 -8.2383 -8.2342 -5.1143 -5.0564 -4.8507 -4.7828 -4.2734 -4.2163 -3.5365 -3.4992 -2.9658 -2.9323 -2.5896 -2.5544 -1.7660 -1.7266 -1.4753 -1.4397 -1.1134 -1.1019 -0.4868 -0.4796 -0.0385 -0.0243 0.0338 0.0433 0.1989 0.2183 0.3641 0.3717 0.4945 0.5007 0.5877 0.5953 0.7769 0.7828 1.3023 1.3045 1.4459 1.4486 1.4788 1.4812 6.1701 6.1741 9.1021 9.1385 9.6045 9.6415 10.0826 10.1528 10.6525 10.7767 11.5037 11.5193 k = 0.6121-0.0938-0.0684 ( 8851 PWs) bands (ev): -46.3809 -46.3809 -19.1360 -19.1345 -18.4783 -18.4664 -18.3323 -18.3240 -18.2554 -18.2491 -18.0161 -18.0143 -16.6165 -16.6053 -16.4150 -16.4092 -15.9360 -15.9194 -14.9062 -14.9044 -14.8290 -14.8223 -8.2239 -8.2195 -5.1204 -5.0600 -4.8624 -4.7925 -4.2727 -4.2120 -3.5109 -3.4712 -2.9958 -2.9635 -2.6176 -2.5840 -1.7418 -1.6989 -1.4470 -1.4103 -1.1170 -1.1046 -0.4955 -0.4886 -0.0415 -0.0275 0.0096 0.0184 0.2037 0.2230 0.3641 0.3721 0.5008 0.5058 0.5836 0.5919 0.7811 0.7868 1.3075 1.3098 1.4429 1.4457 1.4785 1.4808 6.1815 6.1856 9.0976 9.1357 9.5919 9.6317 10.0703 10.1273 10.6868 10.8033 11.5073 11.5180 k = 0.6214-0.0813-0.0593 ( 8854 PWs) bands (ev): -46.3809 -46.3809 -19.1368 -19.1352 -18.4776 -18.4649 -18.3313 -18.3225 -18.2551 -18.2484 -18.0119 -18.0099 -16.6166 -16.6047 -16.4222 -16.4162 -15.9506 -15.9331 -14.8956 -14.8937 -14.8271 -14.8202 -8.2088 -8.2042 -5.1263 -5.0641 -4.8743 -4.8031 -4.2708 -4.2066 -3.4846 -3.4425 -3.0260 -2.9952 -2.6467 -2.6149 -1.7184 -1.6729 -1.4163 -1.3791 -1.1205 -1.1074 -0.5029 -0.4965 -0.0484 -0.0350 -0.0105 -0.0024 0.2080 0.2268 0.3627 0.3714 0.5058 0.5095 0.5817 0.5905 0.7845 0.7899 1.3129 1.3154 1.4397 1.4424 1.4780 1.4803 6.1930 6.1973 9.0941 9.1336 9.5808 9.6233 10.0548 10.0990 10.7238 10.8326 11.5082 11.5215 k = 0.6308-0.0688-0.0502 ( 8854 PWs) bands (ev): -46.3809 -46.3809 -19.1376 -19.1359 -18.4768 -18.4634 -18.3302 -18.3210 -18.2548 -18.2477 -18.0075 -18.0052 -16.6169 -16.6043 -16.4296 -16.4233 -15.9652 -15.9468 -14.8849 -14.8826 -14.8253 -14.8184 -8.1933 -8.1884 -5.1319 -5.0686 -4.8860 -4.8145 -4.2675 -4.2001 -3.4579 -3.4135 -3.0564 -3.0272 -2.6767 -2.6468 -1.6962 -1.6488 -1.3836 -1.3466 -1.1239 -1.1102 -0.5088 -0.5028 -0.0647 -0.0519 -0.0223 -0.0120 0.2114 0.2294 0.3603 0.3699 0.5078 0.5110 0.5830 0.5920 0.7871 0.7921 1.3184 1.3210 1.4364 1.4391 1.4771 1.4794 6.2046 6.2090 9.0919 9.1323 9.5710 9.6163 10.0364 10.0698 10.7620 10.8639 11.5073 11.5288 k = 0.6401-0.0563-0.0411 ( 8852 PWs) bands (ev): -46.3809 -46.3809 -19.1385 -19.1367 -18.4760 -18.4619 -18.3291 -18.3196 -18.2545 -18.2469 -18.0028 -18.0003 -16.6173 -16.6041 -16.4369 -16.4305 -15.9796 -15.9605 -14.8741 -14.8715 -14.8238 -14.8169 -8.1775 -8.1724 -5.1370 -5.0735 -4.8975 -4.8265 -4.2630 -4.1924 -3.4314 -3.3845 -3.0867 -3.0594 -2.7070 -2.6792 -1.6753 -1.6268 -1.3493 -1.3129 -1.1270 -1.1130 -0.5129 -0.5075 -0.0879 -0.0757 -0.0263 -0.0148 0.2136 0.2306 0.3572 0.3679 0.5056 0.5099 0.5879 0.5969 0.7889 0.7934 1.3240 1.3268 1.4333 1.4360 1.4759 1.4781 6.2160 6.2205 9.0911 9.1322 9.5624 9.6103 10.0150 10.0414 10.8006 10.8964 11.5066 11.5378 k = 0.6495-0.0438-0.0319 ( 8851 PWs) bands (ev): -46.3809 -46.3809 -19.1394 -19.1375 -18.4752 -18.4604 -18.3279 -18.3181 -18.2542 -18.2462 -17.9980 -17.9953 -16.6178 -16.6041 -16.4443 -16.4377 -15.9936 -15.9738 -14.8635 -14.8604 -14.8223 -14.8157 -8.1616 -8.1563 -5.1418 -5.0789 -4.9086 -4.8390 -4.2573 -4.1837 -3.4053 -3.3557 -3.1168 -3.0915 -2.7374 -2.7117 -1.6559 -1.6068 -1.3138 -1.2785 -1.1296 -1.1156 -0.5153 -0.5103 -0.1128 -0.1013 -0.0273 -0.0155 0.2144 0.2300 0.3538 0.3656 0.5002 0.5060 0.5960 0.6047 0.7897 0.7937 1.3295 1.3324 1.4306 1.4332 1.4742 1.4765 6.2271 6.2316 9.0918 9.1333 9.5548 9.6053 9.9903 10.0156 10.8387 10.9293 11.5062 11.5478 k = 0.6588-0.0313-0.0228 ( 8852 PWs) bands (ev): -46.3809 -46.3809 -19.1403 -19.1384 -18.4744 -18.4590 -18.3267 -18.3168 -18.2539 -18.2455 -17.9930 -17.9902 -16.6185 -16.6044 -16.4515 -16.4449 -16.0069 -15.9866 -14.8534 -14.8494 -14.8210 -14.8147 -8.1456 -8.1402 -5.1461 -5.0849 -4.9188 -4.8519 -4.2504 -4.1739 -3.3802 -3.3278 -3.1463 -3.1233 -2.7673 -2.7439 -1.6379 -1.5888 -1.2779 -1.2439 -1.1312 -1.1180 -0.5159 -0.5114 -0.1374 -0.1265 -0.0274 -0.0158 0.2134 0.2276 0.3503 0.3632 0.4925 0.4996 0.6063 0.6147 0.7897 0.7931 1.3348 1.3378 1.4283 1.4310 1.4720 1.4744 6.2377 6.2422 9.0941 9.1357 9.5480 9.6009 9.9629 9.9929 10.8756 10.9618 11.5058 11.5579 k = 0.6681-0.0188-0.0137 ( 8851 PWs) bands (ev): -46.3809 -46.3809 -19.1412 -19.1393 -18.4736 -18.4577 -18.3255 -18.3154 -18.2536 -18.2448 -17.9880 -17.9849 -16.6194 -16.6050 -16.4587 -16.4520 -16.0194 -15.9988 -14.8442 -14.8386 -14.8195 -14.8137 -8.1298 -8.1243 -5.1499 -5.0914 -4.9281 -4.8648 -4.2426 -4.1632 -3.3569 -3.3013 -3.1746 -3.1547 -2.7961 -2.7750 -1.6214 -1.5727 -1.2423 -1.2102 -1.1310 -1.1198 -0.5151 -0.5110 -0.1606 -0.1503 -0.0271 -0.0158 0.2104 0.2233 0.3469 0.3609 0.4835 0.4915 0.6180 0.6258 0.7888 0.7917 1.3397 1.3429 1.4268 1.4295 1.4695 1.4720 6.2477 6.2521 9.0981 9.1396 9.5420 9.5969 9.9346 9.9724 10.9106 10.9932 11.5048 11.5668 k = 0.6775-0.0063-0.0046 ( 8853 PWs) bands (ev): -46.3809 -46.3809 -19.1422 -19.1402 -18.4727 -18.4564 -18.3243 -18.3141 -18.2533 -18.2442 -17.9829 -17.9797 -16.6204 -16.6058 -16.4656 -16.4591 -16.0310 -16.0101 -14.8367 -14.8285 -14.8177 -14.8121 -8.1144 -8.1088 -5.1532 -5.0987 -4.9362 -4.8775 -4.2338 -4.1517 -3.3366 -3.2779 -3.2006 -3.1853 -2.8232 -2.8042 -1.6063 -1.5584 -1.2088 -1.1790 -1.1272 -1.1202 -0.5134 -0.5095 -0.1816 -0.1720 -0.0269 -0.0160 0.2051 0.2169 0.3437 0.3587 0.4737 0.4822 0.6303 0.6377 0.7871 0.7895 1.3441 1.3474 1.4262 1.4288 1.4666 1.4693 6.2570 6.2613 9.1036 9.1450 9.5366 9.5933 9.9068 9.9533 10.9429 11.0224 11.5021 11.5723 k = 0.6868 0.0062 0.0046 ( 8846 PWs) bands (ev): -46.3809 -46.3809 -19.1433 -19.1412 -18.4719 -18.4552 -18.3230 -18.3129 -18.2530 -18.2436 -17.9779 -17.9745 -16.6216 -16.6069 -16.4724 -16.4660 -16.0414 -16.0205 -14.8320 -14.8207 -14.8144 -14.8082 -8.0995 -8.0939 -5.1561 -5.1067 -4.9431 -4.8899 -4.2243 -4.1396 -3.3216 -3.2619 -3.2212 -3.2125 -2.8477 -2.8304 -1.5927 -1.5458 -1.1814 -1.1525 -1.1217 -1.1109 -0.5116 -0.5075 -0.1996 -0.1907 -0.0267 -0.0164 0.1975 0.2087 0.3405 0.3563 0.4638 0.4725 0.6428 0.6496 0.7848 0.7867 1.3479 1.3513 1.4264 1.4291 1.4634 1.4665 6.2653 6.2695 9.1107 9.1518 9.5318 9.5896 9.8805 9.9356 10.9715 11.0481 11.4963 11.5704 k = 0.6962 0.0187 0.0137 ( 8847 PWs) bands (ev): -46.3809 -46.3809 -19.1443 -19.1422 -18.4710 -18.4542 -18.3217 -18.3118 -18.2527 -18.2430 -17.9729 -17.9694 -16.6228 -16.6083 -16.4790 -16.4728 -16.0506 -16.0297 -14.8300 -14.8190 -14.8066 -14.8019 -8.0853 -8.0797 -5.1587 -5.1154 -4.9485 -4.9017 -4.2142 -4.1270 -3.3172 -3.2625 -3.2440 -3.2161 -2.8688 -2.8525 -1.5805 -1.5348 -1.1658 -1.1338 -1.1113 -1.0872 -0.5106 -0.5059 -0.2137 -0.2056 -0.0268 -0.0170 0.1878 0.1986 0.3373 0.3533 0.4540 0.4627 0.6549 0.6612 0.7818 0.7837 1.3510 1.3545 1.4275 1.4303 1.4602 1.4637 6.2727 6.2768 9.1190 9.1600 9.5275 9.5858 9.8561 9.9191 10.9953 11.0687 11.4863 11.5579 k = 0.7055 0.0312 0.0228 ( 8839 PWs) bands (ev): -46.3809 -46.3809 -19.1454 -19.1433 -18.4701 -18.4532 -18.3205 -18.3107 -18.2524 -18.2425 -17.9681 -17.9645 -16.6241 -16.6098 -16.4854 -16.4794 -16.0583 -16.0377 -14.8298 -14.8197 -14.7977 -14.7943 -8.0720 -8.0664 -5.1610 -5.1247 -4.9528 -4.9124 -4.2036 -4.1142 -3.3280 -3.2809 -3.2545 -3.2065 -2.8851 -2.8690 -1.5698 -1.5253 -1.1584 -1.1277 -1.0856 -1.0587 -0.5115 -0.5057 -0.2230 -0.2155 -0.0270 -0.0179 0.1762 0.1868 0.3336 0.3494 0.4450 0.4535 0.6662 0.6720 0.7786 0.7808 1.3536 1.3570 1.4293 1.4323 1.4570 1.4610 6.2789 6.2829 9.1283 9.1694 9.5239 9.5817 9.8342 9.9039 11.0126 11.0821 11.4727 11.5364 k = 0.7149 0.0437 0.0319 ( 8849 PWs) bands (ev): -46.3809 -46.3809 -19.1465 -19.1444 -18.4693 -18.4523 -18.3192 -18.3097 -18.2522 -18.2421 -17.9635 -17.9598 -16.6255 -16.6114 -16.4915 -16.4858 -16.0646 -16.0444 -14.8306 -14.8212 -14.7893 -14.7867 -8.0596 -8.0541 -5.1634 -5.1343 -4.9562 -4.9215 -4.1928 -4.1013 -3.3490 -3.3077 -3.2536 -3.1988 -2.8954 -2.8791 -1.5604 -1.5174 -1.1533 -1.1242 -1.0561 -1.0297 -0.5151 -0.5078 -0.2271 -0.2199 -0.0276 -0.0191 0.1630 0.1735 0.3290 0.3442 0.4370 0.4453 0.6760 0.6814 0.7756 0.7785 1.3555 1.3588 1.4313 1.4348 1.4541 1.4589 6.2840 6.2877 9.1381 9.1800 9.5209 9.5772 9.8150 9.8900 11.0214 11.0859 11.4583 11.5130 k = 0.7242 0.0562 0.0411 ( 8849 PWs) bands (ev): -46.3809 -46.3809 -19.1477 -19.1455 -18.4684 -18.4516 -18.3180 -18.3087 -18.2519 -18.2418 -17.9591 -17.9554 -16.6269 -16.6132 -16.4974 -16.4919 -16.0693 -16.0498 -14.8321 -14.8232 -14.7814 -14.7793 -8.0484 -8.0430 -5.1662 -5.1439 -4.9594 -4.9283 -4.1820 -4.0886 -3.3738 -3.3351 -3.2526 -3.1963 -2.8986 -2.8825 -1.5525 -1.5111 -1.1481 -1.1200 -1.0273 -1.0019 -0.5218 -0.5128 -0.2257 -0.2184 -0.0284 -0.0206 0.1488 0.1592 0.3234 0.3374 0.4304 0.4386 0.6837 0.6888 0.7737 0.7774 1.3571 1.3602 1.4330 1.4372 1.4522 1.4578 6.2877 6.2913 9.1481 9.1915 9.5185 9.5725 9.7988 9.8775 11.0199 11.0782 11.4477 11.4943 k = 0.7335 0.0687 0.0502 ( 8851 PWs) bands (ev): -46.3809 -46.3809 -19.1488 -19.1467 -18.4676 -18.4509 -18.3168 -18.3079 -18.2517 -18.2415 -17.9550 -17.9514 -16.6281 -16.6149 -16.5030 -16.4977 -16.0725 -16.0537 -14.8341 -14.8257 -14.7742 -14.7724 -8.0385 -8.0332 -5.1705 -5.1524 -4.9631 -4.9320 -4.1713 -4.0764 -3.3998 -3.3622 -3.2539 -3.1992 -2.8948 -2.8793 -1.5461 -1.5063 -1.1420 -1.1143 -1.0005 -0.9760 -0.5313 -0.5208 -0.2190 -0.2117 -0.0295 -0.0226 0.1339 0.1440 0.3166 0.3289 0.4253 0.4336 0.6886 0.6934 0.7738 0.7781 1.3583 1.3613 1.4338 1.4383 1.4523 1.4581 6.2901 6.2934 9.1576 9.2036 9.5166 9.5679 9.7861 9.8666 11.0072 11.0590 11.4438 11.4843 Writing output data file NaTeH6O6F.save init_run : 1.26s CPU 0.84s WALL ( 1 calls) electrons : 460.56s CPU 347.66s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 460.55s CPU 347.65s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.18s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.42s CPU 0.50s WALL ( 245 calls) cegterg : 399.18s CPU 312.06s WALL ( 290 calls) Called by sum_band: Called by *egterg: h_psi : 291.76s CPU 186.79s WALL ( 5263 calls) s_psi : 10.26s CPU 7.87s WALL ( 5263 calls) g_psi : 0.62s CPU 0.53s WALL ( 4728 calls) cdiaghg : 99.21s CPU 97.74s WALL ( 4973 calls) cegterg:over : 17.90s CPU 17.31s WALL ( 4728 calls) cegterg:upda : 18.18s CPU 17.64s WALL ( 4728 calls) cegterg:last : 7.13s CPU 7.14s WALL ( 836 calls) cdiaghg:chol : 5.60s CPU 5.79s WALL ( 4973 calls) cdiaghg:inve : 4.08s CPU 4.15s WALL ( 4973 calls) cdiaghg:para : 7.71s CPU 7.68s WALL ( 9946 calls) Called by h_psi: h_psi:vloc : 267.56s CPU 167.66s WALL ( 5263 calls) h_psi:vnl : 23.42s CPU 18.52s WALL ( 5263 calls) add_vuspsi : 11.34s CPU 8.78s WALL ( 5263 calls) General routines calbec : 12.05s CPU 9.72s WALL ( 5263 calls) fft : 0.04s CPU 0.03s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 255.05s CPU 158.08s WALL ( 849784 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.45s CPU 2.04s WALL ( 490 calls) Parallel routines fft_scatter : 83.70s CPU 64.26s WALL ( 849807 calls) PWSCF : 8m 9.94s CPU 6m32.14s WALL This run was terminated on: 4: 3:44 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=