Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:51:40 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors 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: ./B6O.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) 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 60 35 10 1911 831 129 Max 61 36 11 1915 853 132 Sum 2175 1271 365 68841 30291 4705 bravais-lattice index = 14 lattice parameter (alat) = 9.7339 a.u. unit-cell volume = 696.2197 (a.u.)^3 number of atoms/cell = 14 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.733897 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.453287 celldm(5)= 0.453287 celldm(6)= 0.453287 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.453287 0.891364 0.000000 ) a(3) = ( 0.453287 0.278021 0.846897 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.508532 -0.368291 ) b(2) = ( 0.000000 1.121876 -0.368291 ) b(3) = ( 0.000000 0.000000 1.180781 ) 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 B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) B 3.00 10.81100 B( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0135135 -0.0068721 -0.0049769), wk = 0.0036765 k( 3) = ( 0.0270270 -0.0137441 -0.0099538), wk = 0.0036765 k( 4) = ( 0.0405405 -0.0206162 -0.0149307), wk = 0.0036765 k( 5) = ( 0.0540540 -0.0274882 -0.0199076), wk = 0.0036765 k( 6) = ( 0.0675676 -0.0343603 -0.0248845), wk = 0.0036765 k( 7) = ( 0.0810811 -0.0412323 -0.0298615), wk = 0.0036765 k( 8) = ( 0.0945946 -0.0481044 -0.0348384), wk = 0.0036765 k( 9) = ( 0.1081081 -0.0549764 -0.0398153), wk = 0.0036765 k( 10) = ( 0.1216216 -0.0618485 -0.0447922), wk = 0.0036765 k( 11) = ( 0.1351351 -0.0687205 -0.0497691), wk = 0.0036765 k( 12) = ( 0.1486486 -0.0755926 -0.0547460), wk = 0.0036765 k( 13) = ( 0.1621622 -0.0824646 -0.0597229), wk = 0.0036765 k( 14) = ( 0.1756757 -0.0893367 -0.0646998), wk = 0.0036765 k( 15) = ( 0.1891892 -0.0962088 -0.0696767), wk = 0.0036765 k( 16) = ( 0.2027027 -0.1030808 -0.0746536), wk = 0.0036765 k( 17) = ( 0.2162162 -0.1099529 -0.0796305), wk = 0.0036765 k( 18) = ( 0.2297297 -0.1168249 -0.0846074), wk = 0.0036765 k( 19) = ( 0.2432432 -0.1236970 -0.0895844), wk = 0.0036765 k( 20) = ( 0.2567568 -0.1305690 -0.0945613), wk = 0.0036765 k( 21) = ( 0.2702703 -0.1374411 -0.0995382), wk = 0.0036765 k( 22) = ( 0.2837838 -0.1443131 -0.1045151), wk = 0.0036765 k( 23) = ( 0.2972973 -0.1511852 -0.1094920), wk = 0.0036765 k( 24) = ( 0.3108108 -0.1580572 -0.1144689), wk = 0.0036765 k( 25) = ( 0.3243243 -0.1649293 -0.1194458), wk = 0.0036765 k( 26) = ( 0.3378378 -0.1718014 -0.1244227), wk = 0.0036765 k( 27) = ( 0.3513514 -0.1786734 -0.1293996), wk = 0.0036765 k( 28) = ( 0.3648649 -0.1855455 -0.1343765), wk = 0.0036765 k( 29) = ( 0.3783784 -0.1924175 -0.1393534), wk = 0.0036765 k( 30) = ( 0.3918919 -0.1992896 -0.1443303), wk = 0.0036765 k( 31) = ( 0.4054054 -0.2061616 -0.1493073), wk = 0.0036765 k( 32) = ( 0.4189189 -0.2130337 -0.1542842), wk = 0.0036765 k( 33) = ( 0.4324324 -0.2199057 -0.1592611), wk = 0.0036765 k( 34) = ( 0.4459459 -0.2267778 -0.1642380), wk = 0.0036765 k( 35) = ( 0.4594595 -0.2336498 -0.1692149), wk = 0.0036765 k( 36) = ( 0.4729730 -0.2405219 -0.1741918), wk = 0.0036765 k( 37) = ( 0.4864865 -0.2473939 -0.1791687), wk = 0.0036765 k( 38) = ( 0.5000000 -0.2542660 -0.1841456), wk = 0.0036765 k( 39) = ( 0.5000000 -0.2542660 -0.1841456), wk = 0.0036765 k( 40) = ( 0.5000000 -0.2447753 -0.1972503), wk = 0.0036765 k( 41) = ( 0.5000000 -0.2352846 -0.2103550), wk = 0.0036765 k( 42) = ( 0.5000000 -0.2257938 -0.2234596), wk = 0.0036765 k( 43) = ( 0.5000000 -0.2163031 -0.2365643), wk = 0.0036765 k( 44) = ( 0.5000000 -0.2068124 -0.2496690), wk = 0.0036765 k( 45) = ( 0.5000000 -0.1973217 -0.2627736), wk = 0.0036765 k( 46) = ( 0.5000000 -0.1878310 -0.2758783), wk = 0.0036765 k( 47) = ( 0.5000000 -0.1783402 -0.2889830), wk = 0.0036765 k( 48) = ( 0.5000000 -0.1688495 -0.3020877), wk = 0.0036765 k( 49) = ( 0.5000000 -0.1593588 -0.3151923), wk = 0.0036765 k( 50) = ( 0.5000000 -0.1498681 -0.3282970), wk = 0.0036765 k( 51) = ( 0.5000000 -0.1403774 -0.3414017), wk = 0.0036765 k( 52) = ( 0.5000000 -0.1308866 -0.3545063), wk = 0.0036765 k( 53) = ( 0.5000000 -0.1213959 -0.3676110), wk = 0.0036765 k( 54) = ( 0.5000000 -0.1119052 -0.3807157), wk = 0.0036765 k( 55) = ( 0.5000000 -0.1024145 -0.3938203), wk = 0.0036765 k( 56) = ( 0.5000000 -0.0929238 -0.4069250), wk = 0.0036765 k( 57) = ( 0.5000000 -0.0834330 -0.4200297), wk = 0.0036765 k( 58) = ( 0.5000000 -0.0739423 -0.4331343), wk = 0.0036765 k( 59) = ( 0.5000000 -0.0644516 -0.4462390), wk = 0.0036765 k( 60) = ( 0.5000000 -0.0549609 -0.4593437), wk = 0.0036765 k( 61) = ( 0.5000000 -0.0454701 -0.4724484), wk = 0.0036765 k( 62) = ( 0.5000000 -0.0359794 -0.4855530), wk = 0.0036765 k( 63) = ( 0.5000000 -0.0264887 -0.4986577), wk = 0.0036765 k( 64) = ( 0.5000000 -0.0169980 -0.5117624), wk = 0.0036765 k( 65) = ( 0.5000000 -0.0075073 -0.5248670), wk = 0.0036765 k( 66) = ( 0.5000000 0.0019834 -0.5379717), wk = 0.0036765 k( 67) = ( 0.5000000 0.0114742 -0.5510764), wk = 0.0036765 k( 68) = ( 0.5000000 0.0209649 -0.5641810), wk = 0.0036765 k( 69) = ( 0.5000000 0.0304556 -0.5772857), wk = 0.0036765 k( 70) = ( 0.5000000 0.0399463 -0.5903904), wk = 0.0036765 k( 71) = ( 0.7377496 0.1857685 -0.1461921), wk = 0.0036765 k( 72) = ( 0.7292585 0.1900865 -0.1330388), wk = 0.0036765 k( 73) = ( 0.7207675 0.1944045 -0.1198856), wk = 0.0036765 k( 74) = ( 0.7122764 0.1987224 -0.1067323), wk = 0.0036765 k( 75) = ( 0.7037854 0.2030404 -0.0935790), wk = 0.0036765 k( 76) = ( 0.6952943 0.2073584 -0.0804258), wk = 0.0036765 k( 77) = ( 0.6868032 0.2116764 -0.0672725), wk = 0.0036765 k( 78) = ( 0.6783122 0.2159943 -0.0541193), wk = 0.0036765 k( 79) = ( 0.6698211 0.2203123 -0.0409660), wk = 0.0036765 k( 80) = ( 0.6613301 0.2246303 -0.0278128), wk = 0.0036765 k( 81) = ( 0.6528390 0.2289483 -0.0146595), wk = 0.0036765 k( 82) = ( 0.6443480 0.2332662 -0.0015062), wk = 0.0036765 k( 83) = ( 0.6358569 0.2375842 0.0116470), wk = 0.0036765 k( 84) = ( 0.6273659 0.2419022 0.0248003), wk = 0.0036765 k( 85) = ( 0.6188748 0.2462201 0.0379535), wk = 0.0036765 k( 86) = ( 0.6103837 0.2505381 0.0511068), wk = 0.0036765 k( 87) = ( 0.6018927 0.2548561 0.0642601), wk = 0.0036765 k( 88) = ( 0.5934016 0.2591741 0.0774133), wk = 0.0036765 k( 89) = ( 0.5849106 0.2634920 0.0905666), wk = 0.0036765 k( 90) = ( 0.5764195 0.2678100 0.1037198), wk = 0.0036765 k( 91) = ( 0.5679285 0.2721280 0.1168731), wk = 0.0036765 k( 92) = ( 0.5594374 0.2764460 0.1300263), wk = 0.0036765 k( 93) = ( 0.5509463 0.2807639 0.1431796), wk = 0.0036765 k( 94) = ( 0.5424553 0.2850819 0.1563329), wk = 0.0036765 k( 95) = ( 0.5339642 0.2893999 0.1694861), wk = 0.0036765 k( 96) = ( 0.5254732 0.2937179 0.1826394), wk = 0.0036765 k( 97) = ( 0.5169821 0.2980358 0.1957926), wk = 0.0036765 k( 98) = ( 0.5084911 0.3023538 0.2089459), wk = 0.0036765 k( 99) = ( 0.5000000 0.3066718 0.2220992), wk = 0.0036765 k( 100) = ( 0.5000000 0.3066718 0.2220992), wk = 0.0036765 k( 101) = ( 0.4871795 0.2988084 0.2164043), wk = 0.0036765 k( 102) = ( 0.4743590 0.2909450 0.2107095), wk = 0.0036765 k( 103) = ( 0.4615385 0.2830816 0.2050146), wk = 0.0036765 k( 104) = ( 0.4487179 0.2752183 0.1993198), wk = 0.0036765 k( 105) = ( 0.4358974 0.2673549 0.1936249), wk = 0.0036765 k( 106) = ( 0.4230769 0.2594915 0.1879301), wk = 0.0036765 k( 107) = ( 0.4102564 0.2516281 0.1822352), wk = 0.0036765 k( 108) = ( 0.3974359 0.2437648 0.1765404), wk = 0.0036765 k( 109) = ( 0.3846154 0.2359014 0.1708455), wk = 0.0036765 k( 110) = ( 0.3717949 0.2280380 0.1651507), wk = 0.0036765 k( 111) = ( 0.3589744 0.2201746 0.1594558), wk = 0.0036765 k( 112) = ( 0.3461538 0.2123112 0.1537610), wk = 0.0036765 k( 113) = ( 0.3333333 0.2044479 0.1480661), wk = 0.0036765 k( 114) = ( 0.3205128 0.1965845 0.1423713), wk = 0.0036765 k( 115) = ( 0.3076923 0.1887211 0.1366764), wk = 0.0036765 k( 116) = ( 0.2948718 0.1808577 0.1309816), wk = 0.0036765 k( 117) = ( 0.2820513 0.1729943 0.1252867), wk = 0.0036765 k( 118) = ( 0.2692308 0.1651310 0.1195919), wk = 0.0036765 k( 119) = ( 0.2564103 0.1572676 0.1138970), wk = 0.0036765 k( 120) = ( 0.2435897 0.1494042 0.1082022), wk = 0.0036765 k( 121) = ( 0.2307692 0.1415408 0.1025073), wk = 0.0036765 k( 122) = ( 0.2179487 0.1336774 0.0968125), wk = 0.0036765 k( 123) = ( 0.2051282 0.1258141 0.0911176), wk = 0.0036765 k( 124) = ( 0.1923077 0.1179507 0.0854228), wk = 0.0036765 k( 125) = ( 0.1794872 0.1100873 0.0797279), wk = 0.0036765 k( 126) = ( 0.1666667 0.1022239 0.0740331), wk = 0.0036765 k( 127) = ( 0.1538461 0.0943605 0.0683382), wk = 0.0036765 k( 128) = ( 0.1410256 0.0864972 0.0626434), wk = 0.0036765 k( 129) = ( 0.1282051 0.0786338 0.0569485), wk = 0.0036765 k( 130) = ( 0.1153846 0.0707704 0.0512537), wk = 0.0036765 k( 131) = ( 0.1025641 0.0629070 0.0455588), wk = 0.0036765 k( 132) = ( 0.0897436 0.0550437 0.0398640), wk = 0.0036765 k( 133) = ( 0.0769231 0.0471803 0.0341691), wk = 0.0036765 k( 134) = ( 0.0641026 0.0393169 0.0284742), wk = 0.0036765 k( 135) = ( 0.0512821 0.0314535 0.0227794), wk = 0.0036765 k( 136) = ( 0.0384615 0.0235901 0.0170846), wk = 0.0036765 k( 137) = ( 0.0256410 0.0157268 0.0113897), wk = 0.0036765 k( 138) = ( 0.0128205 0.0078634 0.0056948), wk = 0.0036765 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 141) = ( 0.0084694 -0.0043070 -0.0131198), wk = 0.0036765 k( 142) = ( 0.0169389 -0.0086140 -0.0262396), wk = 0.0036765 k( 143) = ( 0.0254083 -0.0129210 -0.0393594), wk = 0.0036765 k( 144) = ( 0.0338778 -0.0172279 -0.0524792), wk = 0.0036765 k( 145) = ( 0.0423473 -0.0215349 -0.0655989), wk = 0.0036765 k( 146) = ( 0.0508167 -0.0258419 -0.0787187), wk = 0.0036765 k( 147) = ( 0.0592861 -0.0301489 -0.0918385), wk = 0.0036765 k( 148) = ( 0.0677556 -0.0344559 -0.1049583), wk = 0.0036765 k( 149) = ( 0.0762250 -0.0387629 -0.1180781), wk = 0.0036765 k( 150) = ( 0.0846945 -0.0430699 -0.1311979), wk = 0.0036765 k( 151) = ( 0.0931639 -0.0473768 -0.1443177), wk = 0.0036765 k( 152) = ( 0.1016334 -0.0516838 -0.1574374), wk = 0.0036765 k( 153) = ( 0.1101028 -0.0559908 -0.1705572), wk = 0.0036765 k( 154) = ( 0.1185723 -0.0602978 -0.1836770), wk = 0.0036765 k( 155) = ( 0.1270417 -0.0646048 -0.1967968), wk = 0.0036765 k( 156) = ( 0.1355112 -0.0689118 -0.2099166), wk = 0.0036765 k( 157) = ( 0.1439806 -0.0732188 -0.2230364), wk = 0.0036765 k( 158) = ( 0.1524501 -0.0775257 -0.2361562), wk = 0.0036765 k( 159) = ( 0.1609195 -0.0818327 -0.2492759), wk = 0.0036765 k( 160) = ( 0.1693890 -0.0861397 -0.2623957), wk = 0.0036765 k( 161) = ( 0.1778584 -0.0904467 -0.2755155), wk = 0.0036765 k( 162) = ( 0.1863279 -0.0947537 -0.2886353), wk = 0.0036765 k( 163) = ( 0.1947973 -0.0990607 -0.3017551), wk = 0.0036765 k( 164) = ( 0.2032668 -0.1033677 -0.3148749), wk = 0.0036765 k( 165) = ( 0.2117362 -0.1076746 -0.3279947), wk = 0.0036765 k( 166) = ( 0.2202057 -0.1119816 -0.3411144), wk = 0.0036765 k( 167) = ( 0.2286751 -0.1162886 -0.3542342), wk = 0.0036765 k( 168) = ( 0.2371446 -0.1205956 -0.3673540), wk = 0.0036765 k( 169) = ( 0.2456140 -0.1249026 -0.3804738), wk = 0.0036765 k( 170) = ( 0.2540835 -0.1292096 -0.3935936), wk = 0.0036765 k( 171) = ( 0.2625529 -0.1335166 -0.4067134), wk = 0.0036765 k( 172) = ( 0.2710224 -0.1378235 -0.4198332), wk = 0.0036765 k( 173) = ( 0.2794918 -0.1421305 -0.4329530), wk = 0.0036765 k( 174) = ( 0.2879613 -0.1464375 -0.4460727), wk = 0.0036765 k( 175) = ( 0.2964307 -0.1507445 -0.4591925), wk = 0.0036765 k( 176) = ( 0.3049002 -0.1550515 -0.4723123), wk = 0.0036765 k( 177) = ( 0.3133696 -0.1593585 -0.4854321), wk = 0.0036765 k( 178) = ( 0.3218391 -0.1636655 -0.4985519), wk = 0.0036765 k( 179) = ( 0.3303085 -0.1679724 -0.5116717), wk = 0.0036765 k( 180) = ( 0.3387780 -0.1722794 -0.5247915), wk = 0.0036765 k( 181) = ( 0.3472474 -0.1765864 -0.5379112), wk = 0.0036765 k( 182) = ( 0.3557169 -0.1808934 -0.5510310), wk = 0.0036765 k( 183) = ( 0.3641863 -0.1852004 -0.5641508), wk = 0.0036765 k( 184) = ( 0.3726558 -0.1895074 -0.5772706), wk = 0.0036765 k( 185) = ( 0.3811252 -0.1938144 -0.5903904), wk = 0.0036765 k( 186) = ( 0.6188748 0.1128574 -0.3682912), wk = 0.0036765 k( 187) = ( 0.6103837 0.1267013 -0.3682912), wk = 0.0036765 k( 188) = ( 0.6018927 0.1405452 -0.3682912), wk = 0.0036765 k( 189) = ( 0.5934016 0.1543891 -0.3682912), wk = 0.0036765 k( 190) = ( 0.5849106 0.1682329 -0.3682912), wk = 0.0036765 k( 191) = ( 0.5764195 0.1820768 -0.3682912), wk = 0.0036765 k( 192) = ( 0.5679285 0.1959207 -0.3682912), wk = 0.0036765 k( 193) = ( 0.5594374 0.2097646 -0.3682912), wk = 0.0036765 k( 194) = ( 0.5509463 0.2236085 -0.3682912), wk = 0.0036765 k( 195) = ( 0.5424553 0.2374524 -0.3682912), wk = 0.0036765 k( 196) = ( 0.5339642 0.2512962 -0.3682912), wk = 0.0036765 k( 197) = ( 0.5254732 0.2651401 -0.3682912), wk = 0.0036765 k( 198) = ( 0.5169821 0.2789840 -0.3682912), wk = 0.0036765 k( 199) = ( 0.5084911 0.2928279 -0.3682912), wk = 0.0036765 k( 200) = ( 0.5000000 0.3066718 -0.3682912), wk = 0.0036765 k( 201) = ( 0.5000000 0.3066718 -0.3682912), wk = 0.0036765 k( 202) = ( 0.5074297 0.3112287 -0.3544100), wk = 0.0036765 k( 203) = ( 0.5148594 0.3157857 -0.3405288), wk = 0.0036765 k( 204) = ( 0.5222890 0.3203426 -0.3266476), wk = 0.0036765 k( 205) = ( 0.5297187 0.3248996 -0.3127664), wk = 0.0036765 k( 206) = ( 0.5371484 0.3294565 -0.2988852), wk = 0.0036765 k( 207) = ( 0.5445781 0.3340134 -0.2850041), wk = 0.0036765 k( 208) = ( 0.5520077 0.3385704 -0.2711228), wk = 0.0036765 k( 209) = ( 0.5594374 0.3431273 -0.2572416), wk = 0.0036765 k( 210) = ( 0.5668671 0.3476843 -0.2433604), wk = 0.0036765 k( 211) = ( 0.5742968 0.3522412 -0.2294793), wk = 0.0036765 k( 212) = ( 0.5817264 0.3567982 -0.2155981), wk = 0.0036765 k( 213) = ( 0.5891561 0.3613551 -0.2017169), wk = 0.0036765 k( 214) = ( 0.5965858 0.3659120 -0.1878357), wk = 0.0036765 k( 215) = ( 0.6040154 0.3704690 -0.1739545), wk = 0.0036765 k( 216) = ( 0.6114451 0.3750259 -0.1600733), wk = 0.0036765 k( 217) = ( 0.6188748 0.3795829 -0.1461921), wk = 0.0036765 k( 218) = ( 0.6188748 0.3795829 -0.1461921), wk = 0.0036765 k( 219) = ( 0.6141198 0.3766664 -0.1314604), wk = 0.0036765 k( 220) = ( 0.6093648 0.3737500 -0.1167288), wk = 0.0036765 k( 221) = ( 0.6046098 0.3708335 -0.1019971), wk = 0.0036765 k( 222) = ( 0.5998548 0.3679171 -0.0872655), wk = 0.0036765 k( 223) = ( 0.5950998 0.3650007 -0.0725338), wk = 0.0036765 k( 224) = ( 0.5903448 0.3620842 -0.0578022), wk = 0.0036765 k( 225) = ( 0.5855898 0.3591678 -0.0430705), wk = 0.0036765 k( 226) = ( 0.5808349 0.3562513 -0.0283389), wk = 0.0036765 k( 227) = ( 0.5760799 0.3533349 -0.0136072), wk = 0.0036765 k( 228) = ( 0.5713249 0.3504184 0.0011244), wk = 0.0036765 k( 229) = ( 0.5665699 0.3475020 0.0158561), wk = 0.0036765 k( 230) = ( 0.5618149 0.3445855 0.0305877), wk = 0.0036765 k( 231) = ( 0.5570599 0.3416691 0.0453194), wk = 0.0036765 k( 232) = ( 0.5523049 0.3387527 0.0600510), wk = 0.0036765 k( 233) = ( 0.5475499 0.3358362 0.0747827), wk = 0.0036765 k( 234) = ( 0.5427949 0.3329198 0.0895143), wk = 0.0036765 k( 235) = ( 0.5380399 0.3300033 0.1042460), wk = 0.0036765 k( 236) = ( 0.5332849 0.3270869 0.1189776), wk = 0.0036765 k( 237) = ( 0.5285300 0.3241704 0.1337093), wk = 0.0036765 k( 238) = ( 0.5237750 0.3212540 0.1484409), wk = 0.0036765 k( 239) = ( 0.5190200 0.3183376 0.1631726), wk = 0.0036765 k( 240) = ( 0.5142650 0.3154211 0.1779042), wk = 0.0036765 k( 241) = ( 0.5095100 0.3125047 0.1926359), wk = 0.0036765 k( 242) = ( 0.5047550 0.3095882 0.2073675), wk = 0.0036765 k( 243) = ( 0.5000000 0.3066718 0.2220992), wk = 0.0036765 k( 244) = ( 0.5000000 -0.2542660 -0.1841456), wk = 0.0036765 k( 245) = ( 0.5084911 -0.2433134 -0.1762135), wk = 0.0036765 k( 246) = ( 0.5169821 -0.2323609 -0.1682814), wk = 0.0036765 k( 247) = ( 0.5254732 -0.2214083 -0.1603493), wk = 0.0036765 k( 248) = ( 0.5339642 -0.2104557 -0.1524172), wk = 0.0036765 k( 249) = ( 0.5424553 -0.1995032 -0.1444851), wk = 0.0036765 k( 250) = ( 0.5509463 -0.1885506 -0.1365529), wk = 0.0036765 k( 251) = ( 0.5594374 -0.1775981 -0.1286208), wk = 0.0036765 k( 252) = ( 0.5679285 -0.1666455 -0.1206887), wk = 0.0036765 k( 253) = ( 0.5764195 -0.1556929 -0.1127566), wk = 0.0036765 k( 254) = ( 0.5849106 -0.1447404 -0.1048245), wk = 0.0036765 k( 255) = ( 0.5934016 -0.1337878 -0.0968924), wk = 0.0036765 k( 256) = ( 0.6018927 -0.1228352 -0.0889603), wk = 0.0036765 k( 257) = ( 0.6103837 -0.1118827 -0.0810281), wk = 0.0036765 k( 258) = ( 0.6188748 -0.1009301 -0.0730960), wk = 0.0036765 k( 259) = ( 0.6273659 -0.0899775 -0.0651639), wk = 0.0036765 k( 260) = ( 0.6358569 -0.0790250 -0.0572318), wk = 0.0036765 k( 261) = ( 0.6443480 -0.0680724 -0.0492997), wk = 0.0036765 k( 262) = ( 0.6528390 -0.0571199 -0.0413676), wk = 0.0036765 k( 263) = ( 0.6613301 -0.0461673 -0.0334355), wk = 0.0036765 k( 264) = ( 0.6698211 -0.0352147 -0.0255034), wk = 0.0036765 k( 265) = ( 0.6783122 -0.0242622 -0.0175713), wk = 0.0036765 k( 266) = ( 0.6868032 -0.0133096 -0.0096391), wk = 0.0036765 k( 267) = ( 0.6952943 -0.0023570 -0.0017070), wk = 0.0036765 k( 268) = ( 0.7037854 0.0085955 0.0062251), wk = 0.0036765 k( 269) = ( 0.7122764 0.0195481 0.0141572), wk = 0.0036765 k( 270) = ( 0.7207675 0.0305007 0.0220893), wk = 0.0036765 k( 271) = ( 0.7292585 0.0414532 0.0300214), wk = 0.0036765 k( 272) = ( 0.7377496 0.0524058 0.0379535), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0135135 -0.0000000 -0.0000000), wk = 0.0036765 k( 3) = ( 0.0270270 -0.0000000 -0.0000000), wk = 0.0036765 k( 4) = ( 0.0405405 -0.0000000 0.0000000), wk = 0.0036765 k( 5) = ( 0.0540540 -0.0000000 -0.0000000), wk = 0.0036765 k( 6) = ( 0.0675676 -0.0000000 -0.0000000), wk = 0.0036765 k( 7) = ( 0.0810811 -0.0000000 0.0000000), wk = 0.0036765 k( 8) = ( 0.0945946 0.0000000 -0.0000000), wk = 0.0036765 k( 9) = ( 0.1081081 -0.0000000 -0.0000000), wk = 0.0036765 k( 10) = ( 0.1216216 -0.0000000 -0.0000000), wk = 0.0036765 k( 11) = ( 0.1351351 -0.0000000 -0.0000000), wk = 0.0036765 k( 12) = ( 0.1486486 0.0000000 -0.0000000), wk = 0.0036765 k( 13) = ( 0.1621622 -0.0000000 0.0000000), wk = 0.0036765 k( 14) = ( 0.1756757 -0.0000000 -0.0000000), wk = 0.0036765 k( 15) = ( 0.1891892 -0.0000000 -0.0000000), wk = 0.0036765 k( 16) = ( 0.2027027 -0.0000000 0.0000000), wk = 0.0036765 k( 17) = ( 0.2162162 -0.0000000 -0.0000000), wk = 0.0036765 k( 18) = ( 0.2297297 -0.0000000 -0.0000000), wk = 0.0036765 k( 19) = ( 0.2432432 -0.0000000 -0.0000000), wk = 0.0036765 k( 20) = ( 0.2567568 -0.0000000 0.0000000), wk = 0.0036765 k( 21) = ( 0.2702703 -0.0000000 -0.0000000), wk = 0.0036765 k( 22) = ( 0.2837838 -0.0000000 -0.0000000), wk = 0.0036765 k( 23) = ( 0.2972973 0.0000000 -0.0000000), wk = 0.0036765 k( 24) = ( 0.3108108 -0.0000000 -0.0000000), wk = 0.0036765 k( 25) = ( 0.3243243 -0.0000000 0.0000000), wk = 0.0036765 k( 26) = ( 0.3378378 -0.0000000 -0.0000000), wk = 0.0036765 k( 27) = ( 0.3513514 -0.0000000 -0.0000000), wk = 0.0036765 k( 28) = ( 0.3648649 -0.0000000 -0.0000000), wk = 0.0036765 k( 29) = ( 0.3783784 -0.0000000 -0.0000000), wk = 0.0036765 k( 30) = ( 0.3918919 -0.0000000 -0.0000000), wk = 0.0036765 k( 31) = ( 0.4054054 -0.0000000 -0.0000000), wk = 0.0036765 k( 32) = ( 0.4189189 0.0000000 0.0000000), wk = 0.0036765 k( 33) = ( 0.4324324 -0.0000000 -0.0000000), wk = 0.0036765 k( 34) = ( 0.4459459 -0.0000000 -0.0000000), wk = 0.0036765 k( 35) = ( 0.4594595 -0.0000000 -0.0000000), wk = 0.0036765 k( 36) = ( 0.4729730 -0.0000000 -0.0000000), wk = 0.0036765 k( 37) = ( 0.4864865 -0.0000000 -0.0000000), wk = 0.0036765 k( 38) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036765 k( 39) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036765 k( 40) = ( 0.5000000 0.0084597 -0.0084597), wk = 0.0036765 k( 41) = ( 0.5000000 0.0169194 -0.0169194), wk = 0.0036765 k( 42) = ( 0.5000000 0.0253791 -0.0253791), wk = 0.0036765 k( 43) = ( 0.5000000 0.0338388 -0.0338388), wk = 0.0036765 k( 44) = ( 0.5000000 0.0422984 -0.0422985), wk = 0.0036765 k( 45) = ( 0.5000000 0.0507581 -0.0507581), wk = 0.0036765 k( 46) = ( 0.5000000 0.0592178 -0.0592178), wk = 0.0036765 k( 47) = ( 0.5000000 0.0676775 -0.0676775), wk = 0.0036765 k( 48) = ( 0.5000000 0.0761372 -0.0761372), wk = 0.0036765 k( 49) = ( 0.5000000 0.0845969 -0.0845969), wk = 0.0036765 k( 50) = ( 0.5000000 0.0930566 -0.0930566), wk = 0.0036765 k( 51) = ( 0.5000000 0.1015163 -0.1015163), wk = 0.0036765 k( 52) = ( 0.5000000 0.1099760 -0.1099760), wk = 0.0036765 k( 53) = ( 0.5000000 0.1184357 -0.1184357), wk = 0.0036765 k( 54) = ( 0.5000000 0.1268954 -0.1268954), wk = 0.0036765 k( 55) = ( 0.5000000 0.1353550 -0.1353551), wk = 0.0036765 k( 56) = ( 0.5000000 0.1438147 -0.1438147), wk = 0.0036765 k( 57) = ( 0.5000000 0.1522744 -0.1522744), wk = 0.0036765 k( 58) = ( 0.5000000 0.1607341 -0.1607341), wk = 0.0036765 k( 59) = ( 0.5000000 0.1691938 -0.1691938), wk = 0.0036765 k( 60) = ( 0.5000000 0.1776535 -0.1776535), wk = 0.0036765 k( 61) = ( 0.5000000 0.1861132 -0.1861132), wk = 0.0036765 k( 62) = ( 0.5000000 0.1945729 -0.1945729), wk = 0.0036765 k( 63) = ( 0.5000000 0.2030326 -0.2030326), wk = 0.0036765 k( 64) = ( 0.5000000 0.2114923 -0.2114923), wk = 0.0036765 k( 65) = ( 0.5000000 0.2199520 -0.2199520), wk = 0.0036765 k( 66) = ( 0.5000000 0.2284116 -0.2284116), wk = 0.0036765 k( 67) = ( 0.5000000 0.2368713 -0.2368713), wk = 0.0036765 k( 68) = ( 0.5000000 0.2453310 -0.2453310), wk = 0.0036765 k( 69) = ( 0.5000000 0.2537907 -0.2537907), wk = 0.0036765 k( 70) = ( 0.5000000 0.2622504 -0.2622504), wk = 0.0036765 k( 71) = ( 0.7377496 0.5000000 0.2622504), wk = 0.0036765 k( 72) = ( 0.7292585 0.5000000 0.2707415), wk = 0.0036765 k( 73) = ( 0.7207675 0.5000000 0.2792325), wk = 0.0036765 k( 74) = ( 0.7122764 0.5000000 0.2877236), wk = 0.0036765 k( 75) = ( 0.7037854 0.5000000 0.2962146), wk = 0.0036765 k( 76) = ( 0.6952943 0.5000000 0.3047057), wk = 0.0036765 k( 77) = ( 0.6868032 0.5000000 0.3131967), wk = 0.0036765 k( 78) = ( 0.6783122 0.5000000 0.3216878), wk = 0.0036765 k( 79) = ( 0.6698211 0.5000000 0.3301789), wk = 0.0036765 k( 80) = ( 0.6613301 0.5000000 0.3386699), wk = 0.0036765 k( 81) = ( 0.6528390 0.5000000 0.3471610), wk = 0.0036765 k( 82) = ( 0.6443480 0.5000000 0.3556520), wk = 0.0036765 k( 83) = ( 0.6358569 0.5000000 0.3641431), wk = 0.0036765 k( 84) = ( 0.6273659 0.5000000 0.3726341), wk = 0.0036765 k( 85) = ( 0.6188748 0.5000000 0.3811252), wk = 0.0036765 k( 86) = ( 0.6103837 0.5000000 0.3896163), wk = 0.0036765 k( 87) = ( 0.6018927 0.5000000 0.3981073), wk = 0.0036765 k( 88) = ( 0.5934016 0.5000000 0.4065984), wk = 0.0036765 k( 89) = ( 0.5849106 0.5000000 0.4150894), wk = 0.0036765 k( 90) = ( 0.5764195 0.5000000 0.4235805), wk = 0.0036765 k( 91) = ( 0.5679285 0.5000000 0.4320716), wk = 0.0036765 k( 92) = ( 0.5594374 0.5000000 0.4405626), wk = 0.0036765 k( 93) = ( 0.5509463 0.5000000 0.4490537), wk = 0.0036765 k( 94) = ( 0.5424553 0.5000000 0.4575447), wk = 0.0036765 k( 95) = ( 0.5339642 0.5000000 0.4660358), wk = 0.0036765 k( 96) = ( 0.5254732 0.5000000 0.4745268), wk = 0.0036765 k( 97) = ( 0.5169821 0.5000000 0.4830179), wk = 0.0036765 k( 98) = ( 0.5084911 0.5000000 0.4915089), wk = 0.0036765 k( 99) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 100) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 101) = ( 0.4871795 0.4871795 0.4871795), wk = 0.0036765 k( 102) = ( 0.4743590 0.4743590 0.4743590), wk = 0.0036765 k( 103) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0036765 k( 104) = ( 0.4487179 0.4487179 0.4487179), wk = 0.0036765 k( 105) = ( 0.4358974 0.4358974 0.4358974), wk = 0.0036765 k( 106) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0036765 k( 107) = ( 0.4102564 0.4102564 0.4102564), wk = 0.0036765 k( 108) = ( 0.3974359 0.3974359 0.3974359), wk = 0.0036765 k( 109) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0036765 k( 110) = ( 0.3717949 0.3717949 0.3717949), wk = 0.0036765 k( 111) = ( 0.3589744 0.3589744 0.3589744), wk = 0.0036765 k( 112) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0036765 k( 113) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0036765 k( 114) = ( 0.3205128 0.3205128 0.3205128), wk = 0.0036765 k( 115) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0036765 k( 116) = ( 0.2948718 0.2948718 0.2948718), wk = 0.0036765 k( 117) = ( 0.2820513 0.2820513 0.2820513), wk = 0.0036765 k( 118) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0036765 k( 119) = ( 0.2564103 0.2564103 0.2564103), wk = 0.0036765 k( 120) = ( 0.2435897 0.2435897 0.2435897), wk = 0.0036765 k( 121) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0036765 k( 122) = ( 0.2179487 0.2179487 0.2179487), wk = 0.0036765 k( 123) = ( 0.2051282 0.2051282 0.2051282), wk = 0.0036765 k( 124) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0036765 k( 125) = ( 0.1794872 0.1794872 0.1794872), wk = 0.0036765 k( 126) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0036765 k( 127) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0036765 k( 128) = ( 0.1410256 0.1410256 0.1410256), wk = 0.0036765 k( 129) = ( 0.1282051 0.1282051 0.1282051), wk = 0.0036765 k( 130) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0036765 k( 131) = ( 0.1025641 0.1025641 0.1025641), wk = 0.0036765 k( 132) = ( 0.0897436 0.0897436 0.0897436), wk = 0.0036765 k( 133) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0036765 k( 134) = ( 0.0641026 0.0641026 0.0641026), wk = 0.0036765 k( 135) = ( 0.0512821 0.0512820 0.0512821), wk = 0.0036765 k( 136) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0036765 k( 137) = ( 0.0256410 0.0256410 0.0256410), wk = 0.0036765 k( 138) = ( 0.0128205 0.0128205 0.0128205), wk = 0.0036765 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 141) = ( 0.0084694 -0.0000000 -0.0084694), wk = 0.0036765 k( 142) = ( 0.0169389 -0.0000000 -0.0169389), wk = 0.0036765 k( 143) = ( 0.0254083 -0.0000000 -0.0254084), wk = 0.0036765 k( 144) = ( 0.0338778 -0.0000000 -0.0338778), wk = 0.0036765 k( 145) = ( 0.0423473 -0.0000000 -0.0423472), wk = 0.0036765 k( 146) = ( 0.0508167 -0.0000000 -0.0508167), wk = 0.0036765 k( 147) = ( 0.0592861 -0.0000000 -0.0592861), wk = 0.0036765 k( 148) = ( 0.0677556 -0.0000000 -0.0677556), wk = 0.0036765 k( 149) = ( 0.0762250 -0.0000000 -0.0762250), wk = 0.0036765 k( 150) = ( 0.0846945 -0.0000000 -0.0846945), wk = 0.0036765 k( 151) = ( 0.0931639 -0.0000000 -0.0931639), wk = 0.0036765 k( 152) = ( 0.1016334 -0.0000000 -0.1016334), wk = 0.0036765 k( 153) = ( 0.1101028 -0.0000000 -0.1101028), wk = 0.0036765 k( 154) = ( 0.1185723 -0.0000000 -0.1185723), wk = 0.0036765 k( 155) = ( 0.1270417 0.0000000 -0.1270417), wk = 0.0036765 k( 156) = ( 0.1355112 -0.0000000 -0.1355112), wk = 0.0036765 k( 157) = ( 0.1439806 0.0000000 -0.1439806), wk = 0.0036765 k( 158) = ( 0.1524501 -0.0000000 -0.1524501), wk = 0.0036765 k( 159) = ( 0.1609195 -0.0000000 -0.1609195), wk = 0.0036765 k( 160) = ( 0.1693890 -0.0000000 -0.1693890), wk = 0.0036765 k( 161) = ( 0.1778584 -0.0000000 -0.1778584), wk = 0.0036765 k( 162) = ( 0.1863279 -0.0000000 -0.1863279), wk = 0.0036765 k( 163) = ( 0.1947973 -0.0000000 -0.1947973), wk = 0.0036765 k( 164) = ( 0.2032668 -0.0000000 -0.2032668), wk = 0.0036765 k( 165) = ( 0.2117362 -0.0000000 -0.2117362), wk = 0.0036765 k( 166) = ( 0.2202057 -0.0000000 -0.2202057), wk = 0.0036765 k( 167) = ( 0.2286751 -0.0000000 -0.2286751), wk = 0.0036765 k( 168) = ( 0.2371446 -0.0000000 -0.2371446), wk = 0.0036765 k( 169) = ( 0.2456140 -0.0000000 -0.2456140), wk = 0.0036765 k( 170) = ( 0.2540835 -0.0000000 -0.2540835), wk = 0.0036765 k( 171) = ( 0.2625529 -0.0000000 -0.2625529), wk = 0.0036765 k( 172) = ( 0.2710224 -0.0000000 -0.2710224), wk = 0.0036765 k( 173) = ( 0.2794918 -0.0000000 -0.2794918), wk = 0.0036765 k( 174) = ( 0.2879613 -0.0000000 -0.2879613), wk = 0.0036765 k( 175) = ( 0.2964307 -0.0000000 -0.2964307), wk = 0.0036765 k( 176) = ( 0.3049002 -0.0000000 -0.3049002), wk = 0.0036765 k( 177) = ( 0.3133696 -0.0000000 -0.3133696), wk = 0.0036765 k( 178) = ( 0.3218391 -0.0000000 -0.3218391), wk = 0.0036765 k( 179) = ( 0.3303085 0.0000000 -0.3303085), wk = 0.0036765 k( 180) = ( 0.3387780 -0.0000000 -0.3387780), wk = 0.0036765 k( 181) = ( 0.3472474 -0.0000000 -0.3472474), wk = 0.0036765 k( 182) = ( 0.3557169 -0.0000000 -0.3557169), wk = 0.0036765 k( 183) = ( 0.3641863 -0.0000000 -0.3641863), wk = 0.0036765 k( 184) = ( 0.3726558 -0.0000000 -0.3726558), wk = 0.0036765 k( 185) = ( 0.3811252 -0.0000000 -0.3811252), wk = 0.0036765 k( 186) = ( 0.6188748 0.3811252 -0.0000000), wk = 0.0036765 k( 187) = ( 0.6103837 0.3896163 -0.0000000), wk = 0.0036765 k( 188) = ( 0.6018927 0.3981073 0.0000000), wk = 0.0036765 k( 189) = ( 0.5934016 0.4065984 -0.0000000), wk = 0.0036765 k( 190) = ( 0.5849106 0.4150894 -0.0000000), wk = 0.0036765 k( 191) = ( 0.5764195 0.4235805 -0.0000000), wk = 0.0036765 k( 192) = ( 0.5679285 0.4320715 -0.0000000), wk = 0.0036765 k( 193) = ( 0.5594374 0.4405626 -0.0000000), wk = 0.0036765 k( 194) = ( 0.5509463 0.4490537 -0.0000000), wk = 0.0036765 k( 195) = ( 0.5424553 0.4575447 -0.0000000), wk = 0.0036765 k( 196) = ( 0.5339642 0.4660358 -0.0000000), wk = 0.0036765 k( 197) = ( 0.5254732 0.4745268 -0.0000000), wk = 0.0036765 k( 198) = ( 0.5169821 0.4830179 -0.0000000), wk = 0.0036765 k( 199) = ( 0.5084911 0.4915089 -0.0000000), wk = 0.0036765 k( 200) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 201) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 202) = ( 0.5074297 0.5074297 0.0163906), wk = 0.0036765 k( 203) = ( 0.5148594 0.5148594 0.0327813), wk = 0.0036765 k( 204) = ( 0.5222890 0.5222890 0.0491719), wk = 0.0036765 k( 205) = ( 0.5297187 0.5297187 0.0655626), wk = 0.0036765 k( 206) = ( 0.5371484 0.5371484 0.0819533), wk = 0.0036765 k( 207) = ( 0.5445781 0.5445780 0.0983439), wk = 0.0036765 k( 208) = ( 0.5520077 0.5520077 0.1147346), wk = 0.0036765 k( 209) = ( 0.5594374 0.5594374 0.1311252), wk = 0.0036765 k( 210) = ( 0.5668671 0.5668671 0.1475159), wk = 0.0036765 k( 211) = ( 0.5742968 0.5742968 0.1639065), wk = 0.0036765 k( 212) = ( 0.5817264 0.5817264 0.1802972), wk = 0.0036765 k( 213) = ( 0.5891561 0.5891561 0.1966878), wk = 0.0036765 k( 214) = ( 0.5965858 0.5965858 0.2130785), wk = 0.0036765 k( 215) = ( 0.6040154 0.6040154 0.2294691), wk = 0.0036765 k( 216) = ( 0.6114451 0.6114451 0.2458598), wk = 0.0036765 k( 217) = ( 0.6188748 0.6188748 0.2622504), wk = 0.0036765 k( 218) = ( 0.6188748 0.6188748 0.2622504), wk = 0.0036765 k( 219) = ( 0.6141198 0.6141198 0.2717604), wk = 0.0036765 k( 220) = ( 0.6093648 0.6093648 0.2812704), wk = 0.0036765 k( 221) = ( 0.6046098 0.6046098 0.2907804), wk = 0.0036765 k( 222) = ( 0.5998548 0.5998548 0.3002903), wk = 0.0036765 k( 223) = ( 0.5950998 0.5950998 0.3098003), wk = 0.0036765 k( 224) = ( 0.5903448 0.5903448 0.3193103), wk = 0.0036765 k( 225) = ( 0.5855898 0.5855898 0.3288203), wk = 0.0036765 k( 226) = ( 0.5808349 0.5808349 0.3383303), wk = 0.0036765 k( 227) = ( 0.5760799 0.5760799 0.3478403), wk = 0.0036765 k( 228) = ( 0.5713249 0.5713249 0.3573502), wk = 0.0036765 k( 229) = ( 0.5665699 0.5665699 0.3668602), wk = 0.0036765 k( 230) = ( 0.5618149 0.5618149 0.3763702), wk = 0.0036765 k( 231) = ( 0.5570599 0.5570599 0.3858802), wk = 0.0036765 k( 232) = ( 0.5523049 0.5523049 0.3953902), wk = 0.0036765 k( 233) = ( 0.5475499 0.5475499 0.4049002), wk = 0.0036765 k( 234) = ( 0.5427949 0.5427949 0.4144101), wk = 0.0036765 k( 235) = ( 0.5380399 0.5380399 0.4239201), wk = 0.0036765 k( 236) = ( 0.5332849 0.5332849 0.4334301), wk = 0.0036765 k( 237) = ( 0.5285300 0.5285299 0.4429401), wk = 0.0036765 k( 238) = ( 0.5237750 0.5237750 0.4524501), wk = 0.0036765 k( 239) = ( 0.5190200 0.5190200 0.4619601), wk = 0.0036765 k( 240) = ( 0.5142650 0.5142650 0.4714700), wk = 0.0036765 k( 241) = ( 0.5095100 0.5095100 0.4809800), wk = 0.0036765 k( 242) = ( 0.5047550 0.5047550 0.4904900), wk = 0.0036765 k( 243) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 244) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036765 k( 245) = ( 0.5084911 0.0136116 0.0136116), wk = 0.0036765 k( 246) = ( 0.5169821 0.0272232 0.0272232), wk = 0.0036765 k( 247) = ( 0.5254732 0.0408348 0.0408348), wk = 0.0036765 k( 248) = ( 0.5339642 0.0544465 0.0544465), wk = 0.0036765 k( 249) = ( 0.5424553 0.0680581 0.0680581), wk = 0.0036765 k( 250) = ( 0.5509463 0.0816697 0.0816697), wk = 0.0036765 k( 251) = ( 0.5594374 0.0952813 0.0952813), wk = 0.0036765 k( 252) = ( 0.5679285 0.1088929 0.1088929), wk = 0.0036765 k( 253) = ( 0.5764195 0.1225045 0.1225045), wk = 0.0036765 k( 254) = ( 0.5849106 0.1361161 0.1361161), wk = 0.0036765 k( 255) = ( 0.5934016 0.1497278 0.1497278), wk = 0.0036765 k( 256) = ( 0.6018927 0.1633394 0.1633394), wk = 0.0036765 k( 257) = ( 0.6103837 0.1769510 0.1769510), wk = 0.0036765 k( 258) = ( 0.6188748 0.1905626 0.1905626), wk = 0.0036765 k( 259) = ( 0.6273659 0.2041742 0.2041742), wk = 0.0036765 k( 260) = ( 0.6358569 0.2177858 0.2177858), wk = 0.0036765 k( 261) = ( 0.6443480 0.2313974 0.2313974), wk = 0.0036765 k( 262) = ( 0.6528390 0.2450091 0.2450091), wk = 0.0036765 k( 263) = ( 0.6613301 0.2586207 0.2586207), wk = 0.0036765 k( 264) = ( 0.6698211 0.2722323 0.2722323), wk = 0.0036765 k( 265) = ( 0.6783122 0.2858439 0.2858439), wk = 0.0036765 k( 266) = ( 0.6868032 0.2994555 0.2994555), wk = 0.0036765 k( 267) = ( 0.6952943 0.3130671 0.3130671), wk = 0.0036765 k( 268) = ( 0.7037854 0.3266788 0.3266787), wk = 0.0036765 k( 269) = ( 0.7122764 0.3402904 0.3402904), wk = 0.0036765 k( 270) = ( 0.7207675 0.3539020 0.3539020), wk = 0.0036765 k( 271) = ( 0.7292585 0.3675136 0.3675136), wk = 0.0036765 k( 272) = ( 0.7377496 0.3811252 0.3811252), wk = 0.0036765 Dense grid: 68841 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 30291 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 224, 58) NL pseudopotentials 0.33 Mb ( 112, 196) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1913) G-vector shells 0.01 Mb ( 1599) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.79 Mb ( 224, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.35 Mb ( 196, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./B6O.save/charge-density.dat Starting wfc are 112 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.6 secs Computing kpt #: 6 total cpu time spent up to now is 5.3 secs Computing kpt #: 7 total cpu time spent up to now is 5.9 secs Computing kpt #: 8 total cpu time spent up to now is 6.5 secs Computing kpt #: 9 total cpu time spent up to now is 7.1 secs Computing kpt #: 10 total cpu time spent up to now is 7.7 secs Computing kpt #: 11 total cpu time spent up to now is 8.3 secs Computing kpt #: 12 total cpu time spent up to now is 8.9 secs Computing kpt #: 13 total cpu time spent up to now is 9.6 secs Computing kpt #: 14 total cpu time spent up to now is 10.2 secs Computing kpt #: 15 total cpu time spent up to now is 10.9 secs Computing kpt #: 16 total cpu time spent up to now is 11.6 secs Computing kpt #: 17 total cpu time spent up to now is 12.2 secs Computing kpt #: 18 total cpu time spent up to now is 12.9 secs Computing kpt #: 19 total cpu time spent up to now is 13.6 secs Computing kpt #: 20 total cpu time spent up to now is 14.3 secs Computing kpt #: 21 total cpu time spent up to now is 15.1 secs Computing kpt #: 22 total cpu time spent up to now is 15.8 secs Computing kpt #: 23 total cpu time spent up to now is 16.5 secs Computing kpt #: 24 total cpu time spent up to now is 17.3 secs Computing kpt #: 25 total cpu time spent up to now is 18.0 secs Computing kpt #: 26 total cpu time spent up to now is 18.7 secs Computing kpt #: 27 total cpu time spent up to now is 19.4 secs Computing kpt #: 28 total cpu time spent up to now is 20.1 secs Computing kpt #: 29 total cpu time spent up to now is 20.8 secs Computing kpt #: 30 total cpu time spent up to now is 21.6 secs Computing kpt #: 31 total cpu time spent up to now is 22.3 secs Computing kpt #: 32 total cpu time spent up to now is 23.0 secs Computing kpt #: 33 total cpu time spent up to now is 23.8 secs Computing kpt #: 34 total cpu time spent up to now is 24.5 secs Computing kpt #: 35 total cpu time spent up to now is 25.2 secs Computing kpt #: 36 total cpu time spent up to now is 26.1 secs Computing kpt #: 37 total cpu time spent up to now is 26.8 secs Computing kpt #: 38 total cpu time spent up to now is 27.5 secs Computing kpt #: 39 total cpu time spent up to now is 28.4 secs Computing kpt #: 40 total cpu time spent up to now is 29.0 secs Computing kpt #: 41 total cpu time spent up to now is 29.7 secs Computing kpt #: 42 total cpu time spent up to now is 30.4 secs Computing kpt #: 43 total cpu time spent up to now is 31.1 secs Computing kpt #: 44 total cpu time spent up to now is 31.8 secs Computing kpt #: 45 total cpu time spent up to now is 32.4 secs Computing kpt #: 46 total cpu time spent up to now is 33.1 secs Computing kpt #: 47 total cpu time spent up to now is 34.0 secs Computing kpt #: 48 total cpu time spent up to now is 34.9 secs Computing kpt #: 49 total cpu time spent up to now is 35.6 secs Computing kpt #: 50 total cpu time spent up to now is 36.2 secs Computing kpt #: 51 total cpu time spent up to now is 36.9 secs Computing kpt #: 52 total cpu time spent up to now is 37.6 secs Computing kpt #: 53 total cpu time spent up to now is 38.3 secs Computing kpt #: 54 total cpu time spent up to now is 39.0 secs Computing kpt #: 55 total cpu time spent up to now is 39.7 secs Computing kpt #: 56 total cpu time spent up to now is 40.4 secs Computing kpt #: 57 total cpu time spent up to now is 41.1 secs Computing kpt #: 58 total cpu time spent up to now is 41.7 secs Computing kpt #: 59 total cpu time spent up to now is 42.4 secs Computing kpt #: 60 total cpu time spent up to now is 43.0 secs Computing kpt #: 61 total cpu time spent up to now is 43.7 secs Computing kpt #: 62 total cpu time spent up to now is 44.3 secs Computing kpt #: 63 total cpu time spent up to now is 45.0 secs Computing kpt #: 64 total cpu time spent up to now is 45.5 secs Computing kpt #: 65 total cpu time spent up to now is 46.1 secs Computing kpt #: 66 total cpu time spent up to now is 46.7 secs Computing kpt #: 67 total cpu time spent up to now is 47.2 secs Computing kpt #: 68 total cpu time spent up to now is 47.8 secs Computing kpt #: 69 total cpu time spent up to now is 48.3 secs Computing kpt #: 70 total cpu time spent up to now is 48.8 secs Computing kpt #: 71 total cpu time spent up to now is 49.4 secs Computing kpt #: 72 total cpu time spent up to now is 49.9 secs Computing kpt #: 73 total cpu time spent up to now is 50.4 secs Computing kpt #: 74 total cpu time spent up to now is 50.9 secs Computing kpt #: 75 total cpu time spent up to now is 51.5 secs Computing kpt #: 76 total cpu time spent up to now is 52.0 secs Computing kpt #: 77 total cpu time spent up to now is 52.5 secs Computing kpt #: 78 total cpu time spent up to now is 53.0 secs Computing kpt #: 79 total cpu time spent up to now is 53.5 secs Computing kpt #: 80 total cpu time spent up to now is 54.0 secs Computing kpt #: 81 total cpu time spent up to now is 54.5 secs Computing kpt #: 82 total cpu time spent up to now is 54.9 secs Computing kpt #: 83 total cpu time spent up to now is 55.4 secs Computing kpt #: 84 total cpu time spent up to now is 55.9 secs Computing kpt #: 85 total cpu time spent up to now is 56.4 secs Computing kpt #: 86 total cpu time spent up to now is 56.9 secs Computing kpt #: 87 total cpu time spent up to now is 57.4 secs Computing kpt #: 88 total cpu time spent up to now is 57.9 secs Computing kpt #: 89 total cpu time spent up to now is 58.4 secs Computing kpt #: 90 total cpu time spent up to now is 58.9 secs Computing kpt #: 91 total cpu time spent up to now is 59.4 secs Computing kpt #: 92 total cpu time spent up to now is 59.9 secs Computing kpt #: 93 total cpu time spent up to now is 60.4 secs Computing kpt #: 94 total cpu time spent up to now is 60.9 secs Computing kpt #: 95 total cpu time spent up to now is 61.4 secs Computing kpt #: 96 total cpu time spent up to now is 61.9 secs Computing kpt #: 97 total cpu time spent up to now is 62.4 secs Computing kpt #: 98 total cpu time spent up to now is 62.9 secs Computing kpt #: 99 total cpu time spent up to now is 63.4 secs Computing kpt #: 100 total cpu time spent up to now is 63.9 secs Computing kpt #: 101 total cpu time spent up to now is 64.4 secs Computing kpt #: 102 total cpu time spent up to now is 65.0 secs Computing kpt #: 103 total cpu time spent up to now is 65.6 secs Computing kpt #: 104 total cpu time spent up to now is 66.1 secs Computing kpt #: 105 total cpu time spent up to now is 66.7 secs Computing kpt #: 106 total cpu time spent up to now is 67.3 secs Computing kpt #: 107 total cpu time spent up to now is 67.8 secs Computing kpt #: 108 total cpu time spent up to now is 68.3 secs Computing kpt #: 109 total cpu time spent up to now is 68.9 secs Computing kpt #: 110 total cpu time spent up to now is 69.4 secs Computing kpt #: 111 total cpu time spent up to now is 69.9 secs Computing kpt #: 112 total cpu time spent up to now is 70.5 secs Computing kpt #: 113 total cpu time spent up to now is 71.0 secs Computing kpt #: 114 total cpu time spent up to now is 71.5 secs Computing kpt #: 115 total cpu time spent up to now is 72.0 secs Computing kpt #: 116 total cpu time spent up to now is 72.5 secs Computing kpt #: 117 total cpu time spent up to now is 73.1 secs Computing kpt #: 118 total cpu time spent up to now is 73.6 secs Computing kpt #: 119 total cpu time spent up to now is 74.1 secs Computing kpt #: 120 total cpu time spent up to now is 74.6 secs Computing kpt #: 121 total cpu time spent up to now is 75.2 secs Computing kpt #: 122 total cpu time spent up to now is 75.7 secs Computing kpt #: 123 total cpu time spent up to now is 76.2 secs Computing kpt #: 124 total cpu time spent up to now is 76.7 secs Computing kpt #: 125 total cpu time spent up to now is 77.3 secs Computing kpt #: 126 total cpu time spent up to now is 77.8 secs Computing kpt #: 127 total cpu time spent up to now is 78.4 secs Computing kpt #: 128 total cpu time spent up to now is 78.9 secs Computing kpt #: 129 total cpu time spent up to now is 79.5 secs Computing kpt #: 130 total cpu time spent up to now is 80.2 secs Computing kpt #: 131 total cpu time spent up to now is 81.0 secs Computing kpt #: 132 total cpu time spent up to now is 81.7 secs Computing kpt #: 133 total cpu time spent up to now is 82.3 secs Computing kpt #: 134 total cpu time spent up to now is 83.0 secs Computing kpt #: 135 total cpu time spent up to now is 83.7 secs Computing kpt #: 136 total cpu time spent up to now is 84.4 secs Computing kpt #: 137 total cpu time spent up to now is 85.2 secs Computing kpt #: 138 total cpu time spent up to now is 85.9 secs Computing kpt #: 139 total cpu time spent up to now is 86.6 secs Computing kpt #: 140 total cpu time spent up to now is 87.3 secs Computing kpt #: 141 total cpu time spent up to now is 88.0 secs Computing kpt #: 142 total cpu time spent up to now is 88.7 secs Computing kpt #: 143 total cpu time spent up to now is 89.4 secs Computing kpt #: 144 total cpu time spent up to now is 90.0 secs Computing kpt #: 145 total cpu time spent up to now is 90.7 secs Computing kpt #: 146 total cpu time spent up to now is 91.3 secs Computing kpt #: 147 total cpu time spent up to now is 92.0 secs Computing kpt #: 148 total cpu time spent up to now is 92.6 secs Computing kpt #: 149 total cpu time spent up to now is 93.3 secs Computing kpt #: 150 total cpu time spent up to now is 93.9 secs Computing kpt #: 151 total cpu time spent up to now is 94.6 secs Computing kpt #: 152 total cpu time spent up to now is 95.2 secs Computing kpt #: 153 total cpu time spent up to now is 95.9 secs Computing kpt #: 154 total cpu time spent up to now is 96.6 secs Computing kpt #: 155 total cpu time spent up to now is 97.2 secs Computing kpt #: 156 total cpu time spent up to now is 97.9 secs Computing kpt #: 157 total cpu time spent up to now is 98.5 secs Computing kpt #: 158 total cpu time spent up to now is 99.1 secs Computing kpt #: 159 total cpu time spent up to now is 99.7 secs Computing kpt #: 160 total cpu time spent up to now is 100.3 secs Computing kpt #: 161 total cpu time spent up to now is 100.9 secs Computing kpt #: 162 total cpu time spent up to now is 101.4 secs Computing kpt #: 163 total cpu time spent up to now is 102.0 secs Computing kpt #: 164 total cpu time spent up to now is 102.6 secs Computing kpt #: 165 total cpu time spent up to now is 103.1 secs Computing kpt #: 166 total cpu time spent up to now is 103.7 secs Computing kpt #: 167 total cpu time spent up to now is 104.3 secs Computing kpt #: 168 total cpu time spent up to now is 104.8 secs Computing kpt #: 169 total cpu time spent up to now is 105.4 secs Computing kpt #: 170 total cpu time spent up to now is 106.0 secs Computing kpt #: 171 total cpu time spent up to now is 106.5 secs Computing kpt #: 172 total cpu time spent up to now is 107.1 secs Computing kpt #: 173 total cpu time spent up to now is 107.7 secs Computing kpt #: 174 total cpu time spent up to now is 108.2 secs Computing kpt #: 175 total cpu time spent up to now is 108.8 secs Computing kpt #: 176 total cpu time spent up to now is 109.4 secs Computing kpt #: 177 total cpu time spent up to now is 110.0 secs Computing kpt #: 178 total cpu time spent up to now is 110.5 secs Computing kpt #: 179 total cpu time spent up to now is 111.1 secs Computing kpt #: 180 total cpu time spent up to now is 111.7 secs Computing kpt #: 181 total cpu time spent up to now is 112.4 secs Computing kpt #: 182 total cpu time spent up to now is 113.1 secs Computing kpt #: 183 total cpu time spent up to now is 113.8 secs Computing kpt #: 184 total cpu time spent up to now is 114.4 secs Computing kpt #: 185 total cpu time spent up to now is 115.1 secs Computing kpt #: 186 total cpu time spent up to now is 115.8 secs Computing kpt #: 187 total cpu time spent up to now is 116.5 secs Computing kpt #: 188 total cpu time spent up to now is 117.2 secs Computing kpt #: 189 total cpu time spent up to now is 117.8 secs Computing kpt #: 190 total cpu time spent up to now is 118.5 secs Computing kpt #: 191 total cpu time spent up to now is 119.1 secs Computing kpt #: 192 total cpu time spent up to now is 119.8 secs Computing kpt #: 193 total cpu time spent up to now is 120.4 secs Computing kpt #: 194 total cpu time spent up to now is 121.0 secs Computing kpt #: 195 total cpu time spent up to now is 121.7 secs Computing kpt #: 196 total cpu time spent up to now is 122.3 secs Computing kpt #: 197 total cpu time spent up to now is 122.9 secs Computing kpt #: 198 total cpu time spent up to now is 123.5 secs Computing kpt #: 199 total cpu time spent up to now is 124.2 secs Computing kpt #: 200 total cpu time spent up to now is 124.8 secs Computing kpt #: 201 total cpu time spent up to now is 125.4 secs Computing kpt #: 202 total cpu time spent up to now is 126.0 secs Computing kpt #: 203 total cpu time spent up to now is 126.7 secs Computing kpt #: 204 total cpu time spent up to now is 127.3 secs Computing kpt #: 205 total cpu time spent up to now is 128.0 secs Computing kpt #: 206 total cpu time spent up to now is 128.6 secs Computing kpt #: 207 total cpu time spent up to now is 129.2 secs Computing kpt #: 208 total cpu time spent up to now is 129.9 secs Computing kpt #: 209 total cpu time spent up to now is 130.5 secs Computing kpt #: 210 total cpu time spent up to now is 131.2 secs Computing kpt #: 211 total cpu time spent up to now is 131.8 secs Computing kpt #: 212 total cpu time spent up to now is 132.5 secs Computing kpt #: 213 total cpu time spent up to now is 133.1 secs Computing kpt #: 214 total cpu time spent up to now is 133.8 secs Computing kpt #: 215 total cpu time spent up to now is 134.4 secs Computing kpt #: 216 total cpu time spent up to now is 135.0 secs Computing kpt #: 217 total cpu time spent up to now is 135.6 secs Computing kpt #: 218 total cpu time spent up to now is 136.1 secs Computing kpt #: 219 total cpu time spent up to now is 136.7 secs Computing kpt #: 220 total cpu time spent up to now is 137.2 secs Computing kpt #: 221 total cpu time spent up to now is 137.7 secs Computing kpt #: 222 total cpu time spent up to now is 138.2 secs Computing kpt #: 223 total cpu time spent up to now is 138.8 secs Computing kpt #: 224 total cpu time spent up to now is 139.3 secs Computing kpt #: 225 total cpu time spent up to now is 139.8 secs Computing kpt #: 226 total cpu time spent up to now is 140.3 secs Computing kpt #: 227 total cpu time spent up to now is 140.8 secs Computing kpt #: 228 total cpu time spent up to now is 141.3 secs Computing kpt #: 229 total cpu time spent up to now is 141.8 secs Computing kpt #: 230 total cpu time spent up to now is 142.3 secs Computing kpt #: 231 total cpu time spent up to now is 142.8 secs Computing kpt #: 232 total cpu time spent up to now is 143.3 secs Computing kpt #: 233 total cpu time spent up to now is 143.8 secs Computing kpt #: 234 total cpu time spent up to now is 144.3 secs Computing kpt #: 235 total cpu time spent up to now is 144.8 secs Computing kpt #: 236 total cpu time spent up to now is 145.3 secs Computing kpt #: 237 total cpu time spent up to now is 145.8 secs Computing kpt #: 238 total cpu time spent up to now is 146.3 secs Computing kpt #: 239 total cpu time spent up to now is 146.8 secs Computing kpt #: 240 total cpu time spent up to now is 147.3 secs Computing kpt #: 241 total cpu time spent up to now is 147.8 secs Computing kpt #: 242 total cpu time spent up to now is 148.3 secs Computing kpt #: 243 total cpu time spent up to now is 148.8 secs Computing kpt #: 244 total cpu time spent up to now is 149.6 secs Computing kpt #: 245 total cpu time spent up to now is 150.3 secs Computing kpt #: 246 total cpu time spent up to now is 151.0 secs Computing kpt #: 247 total cpu time spent up to now is 151.7 secs Computing kpt #: 248 total cpu time spent up to now is 152.4 secs Computing kpt #: 249 total cpu time spent up to now is 153.2 secs Computing kpt #: 250 total cpu time spent up to now is 153.8 secs Computing kpt #: 251 total cpu time spent up to now is 154.5 secs Computing kpt #: 252 total cpu time spent up to now is 155.2 secs Computing kpt #: 253 total cpu time spent up to now is 155.8 secs Computing kpt #: 254 total cpu time spent up to now is 156.3 secs Computing kpt #: 255 total cpu time spent up to now is 156.8 secs Computing kpt #: 256 total cpu time spent up to now is 157.4 secs Computing kpt #: 257 total cpu time spent up to now is 157.9 secs Computing kpt #: 258 total cpu time spent up to now is 158.4 secs Computing kpt #: 259 total cpu time spent up to now is 159.0 secs Computing kpt #: 260 total cpu time spent up to now is 159.6 secs Computing kpt #: 261 total cpu time spent up to now is 160.1 secs Computing kpt #: 262 total cpu time spent up to now is 160.7 secs Computing kpt #: 263 total cpu time spent up to now is 161.2 secs Computing kpt #: 264 total cpu time spent up to now is 161.8 secs Computing kpt #: 265 total cpu time spent up to now is 162.4 secs Computing kpt #: 266 total cpu time spent up to now is 163.1 secs Computing kpt #: 267 total cpu time spent up to now is 163.7 secs Computing kpt #: 268 total cpu time spent up to now is 164.3 secs Computing kpt #: 269 total cpu time spent up to now is 164.9 secs Computing kpt #: 270 total cpu time spent up to now is 165.4 secs Computing kpt #: 271 total cpu time spent up to now is 166.0 secs Computing kpt #: 272 total cpu time spent up to now is 166.5 secs ethr = 2.08E-08, avg # of iterations = 22.1 total cpu time spent up to now is 166.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3767 PWs) bands (ev): -13.6861 -13.6861 -13.1476 -13.1476 -6.0684 -6.0684 -2.3421 -2.3421 -2.3386 -2.3386 -2.0356 -2.0356 -2.0267 -2.0267 -1.3562 -1.3562 0.6125 0.6125 0.6240 0.6240 0.8464 0.8464 1.1080 1.1080 1.1094 1.1094 2.1000 2.1000 2.4429 2.4429 4.4929 4.4929 4.4930 4.4930 5.3402 5.3402 5.3489 5.3489 5.7245 5.7245 6.0969 6.0969 6.4418 6.4418 7.1501 7.1501 7.1509 7.1509 12.7707 12.7707 14.2512 14.2512 14.2515 14.2515 14.6571 14.6571 14.6613 14.6613 k = 0.0135-0.0069-0.0050 ( 3771 PWs) bands (ev): -13.6859 -13.6859 -13.1478 -13.1478 -6.0686 -6.0686 -2.3504 -2.3504 -2.3466 -2.3466 -2.0260 -2.0260 -2.0168 -2.0168 -1.3574 -1.3574 0.6096 0.6096 0.6214 0.6214 0.8486 0.8486 1.1057 1.1057 1.1093 1.1093 2.1062 2.1062 2.4439 2.4439 4.4920 4.4920 4.4942 4.4942 5.3382 5.3382 5.3471 5.3471 5.7267 5.7267 6.0972 6.0972 6.4399 6.4399 7.1495 7.1495 7.1510 7.1510 12.7693 12.7693 14.2443 14.2443 14.2531 14.2531 14.6548 14.6548 14.6621 14.6621 k = 0.0270-0.0137-0.0100 ( 3772 PWs) bands (ev): -13.6853 -13.6853 -13.1484 -13.1484 -6.0694 -6.0694 -2.3741 -2.3741 -2.3664 -2.3664 -2.0020 -2.0020 -1.9876 -1.9876 -1.3609 -1.3609 0.5993 0.5993 0.6157 0.6157 0.8546 0.8546 1.0977 1.0977 1.1107 1.1107 2.1243 2.1243 2.4469 2.4469 4.4894 4.4894 4.4979 4.4979 5.3314 5.3314 5.3427 5.3427 5.7331 5.7331 6.0982 6.0982 6.4342 6.4342 7.1472 7.1472 7.1523 7.1523 12.7650 12.7650 14.2241 14.2241 14.2583 14.2583 14.6451 14.6451 14.6685 14.6685 k = 0.0405-0.0206-0.0149 ( 3776 PWs) bands (ev): -13.6843 -13.6843 -13.1494 -13.1494 -6.0706 -6.0706 -2.4069 -2.4069 -2.3940 -2.3940 -1.9687 -1.9687 -1.9444 -1.9444 -1.3666 -1.3666 0.5802 0.5802 0.6087 0.6087 0.8631 0.8631 1.0862 1.0862 1.1131 1.1131 2.1529 2.1529 2.4521 2.4521 4.4856 4.4856 4.5039 4.5039 5.3186 5.3186 5.3370 5.3370 5.7428 5.7428 6.1003 6.1003 6.4249 6.4249 7.1432 7.1432 7.1544 7.1544 12.7579 12.7579 14.1927 14.1927 14.2666 14.2666 14.6308 14.6308 14.6800 14.6800 k = 0.0541-0.0275-0.0199 ( 3784 PWs) bands (ev): -13.6828 -13.6828 -13.1507 -13.1507 -6.0723 -6.0723 -2.4437 -2.4437 -2.4264 -2.4264 -1.9291 -1.9291 -1.8930 -1.8930 -1.3738 -1.3738 0.5537 0.5537 0.6003 0.6003 0.8717 0.8717 1.0743 1.0743 1.1163 1.1163 2.1897 2.1897 2.4600 2.4600 4.4813 4.4813 4.5120 4.5120 5.2998 5.2998 5.3301 5.3301 5.7545 5.7545 6.1043 6.1043 6.4124 6.4124 7.1376 7.1376 7.1573 7.1573 12.7483 12.7483 14.1524 14.1524 14.2775 14.2775 14.6136 14.6136 14.6963 14.6963 k = 0.0676-0.0344-0.0249 ( 3782 PWs) bands (ev): -13.6810 -13.6810 -13.1524 -13.1524 -6.0744 -6.0744 -2.4816 -2.4816 -2.4613 -2.4613 -1.8849 -1.8849 -1.8371 -1.8371 -1.3819 -1.3819 0.5209 0.5209 0.5902 0.5902 0.8768 0.8768 1.0664 1.0664 1.1202 1.1202 2.2313 2.2313 2.4721 2.4721 4.4773 4.4773 4.5219 4.5219 5.2755 5.2755 5.3218 5.3218 5.7664 5.7664 6.1110 6.1110 6.3970 6.3970 7.1304 7.1304 7.1607 7.1607 12.7361 12.7361 14.1054 14.1054 14.2904 14.2904 14.5940 14.5940 14.7173 14.7173 k = 0.0811-0.0412-0.0299 ( 3779 PWs) bands (ev): -13.6787 -13.6787 -13.1545 -13.1545 -6.0770 -6.0770 -2.5191 -2.5191 -2.4974 -2.4974 -1.8377 -1.8377 -1.7794 -1.7794 -1.3896 -1.3896 0.4827 0.4827 0.5786 0.5786 0.8743 0.8743 1.0677 1.0677 1.1245 1.1245 2.2727 2.2727 2.4914 2.4914 4.4746 4.4746 4.5330 4.5330 5.2460 5.2460 5.3123 5.3123 5.7767 5.7767 6.1215 6.1215 6.3794 6.3794 7.1216 7.1216 7.1647 7.1647 12.7218 12.7218 14.0535 14.0535 14.3044 14.3044 14.5721 14.5721 14.7430 14.7430 k = 0.0946-0.0481-0.0348 ( 3775 PWs) bands (ev): -13.6761 -13.6761 -13.1570 -13.1570 -6.0801 -6.0801 -2.5551 -2.5551 -2.5339 -2.5339 -1.7883 -1.7883 -1.7230 -1.7230 -1.3946 -1.3946 0.4396 0.4396 0.5657 0.5657 0.8620 0.8620 1.0808 1.0808 1.1291 1.1291 2.3075 2.3075 2.5224 2.5224 4.4742 4.4742 4.5449 4.5449 5.2114 5.2114 5.3016 5.3016 5.7834 5.7834 6.1366 6.1366 6.3601 6.3601 7.1113 7.1113 7.1690 7.1690 12.7053 12.7053 13.9981 13.9981 14.3186 14.3186 14.5481 14.5481 14.7733 14.7733 k = 0.1081-0.0550-0.0398 ( 3781 PWs) bands (ev): -13.6730 -13.6730 -13.1598 -13.1598 -6.0837 -6.0837 -2.5892 -2.5892 -2.5702 -2.5702 -1.7372 -1.7372 -1.6722 -1.6722 -1.3928 -1.3928 0.3924 0.3924 0.5517 0.5517 0.8414 0.8414 1.1049 1.1049 1.1338 1.1338 2.3303 2.3303 2.5690 2.5690 4.4766 4.4766 4.5568 4.5568 5.1721 5.1721 5.2903 5.2903 5.7852 5.7852 6.1568 6.1568 6.3397 6.3397 7.0994 7.0994 7.1736 7.1736 12.6871 12.6871 13.9403 13.9403 14.3319 14.3319 14.5222 14.5222 14.8076 14.8076 k = 0.1216-0.0618-0.0448 ( 3785 PWs) bands (ev): -13.6696 -13.6696 -13.1629 -13.1629 -6.0877 -6.0877 -2.6210 -2.6210 -2.6061 -2.6061 -1.6849 -1.6849 -1.6335 -1.6335 -1.3781 -1.3781 0.3416 0.3416 0.5370 0.5370 0.8153 0.8153 1.1375 1.1375 1.1386 1.1386 2.3404 2.3404 2.6306 2.6306 4.4827 4.4827 4.5680 4.5680 5.1284 5.1284 5.2786 5.2786 5.7816 5.7816 6.1820 6.1820 6.3189 6.3189 7.0861 7.0861 7.1783 7.1783 12.6673 12.6673 13.8809 13.8809 14.3431 14.3431 14.4946 14.4946 14.8452 14.8452 k = 0.1351-0.0687-0.0498 ( 3789 PWs) bands (ev): -13.6658 -13.6658 -13.1664 -13.1664 -6.0921 -6.0921 -2.6504 -2.6504 -2.6412 -2.6412 -1.6318 -1.6318 -1.6123 -1.6123 -1.3448 -1.3448 0.2878 0.2878 0.5218 0.5218 0.7862 0.7862 1.1429 1.1429 1.1768 1.1768 2.3403 2.3403 2.7037 2.7037 4.4926 4.4926 4.5775 4.5775 5.0806 5.0806 5.2671 5.2671 5.7725 5.7725 6.2113 6.2113 6.2986 6.2986 7.0712 7.0712 7.1830 7.1830 12.6462 12.6462 13.8206 13.8206 14.3509 14.3509 14.4656 14.4656 14.8845 14.8845 k = 0.1486-0.0756-0.0547 ( 3789 PWs) bands (ev): -13.6617 -13.6617 -13.1703 -13.1703 -6.0969 -6.0969 -2.6773 -2.6773 -2.6753 -2.6753 -1.6084 -1.6084 -1.5777 -1.5777 -1.2936 -1.2936 0.2315 0.2315 0.5063 0.5063 0.7555 0.7555 1.1469 1.1469 1.2208 1.2208 2.3325 2.3325 2.7848 2.7848 4.5064 4.5064 4.5844 4.5844 5.0292 5.0292 5.2562 5.2562 5.7584 5.7584 6.2436 6.2436 6.2794 6.2794 7.0549 7.0549 7.1877 7.1877 12.6239 12.6239 13.7598 13.7598 14.3534 14.3534 14.4353 14.4353 14.9232 14.9232 k = 0.1622-0.0825-0.0597 ( 3783 PWs) bands (ev): -13.6572 -13.6572 -13.1744 -13.1744 -6.1022 -6.1022 -2.7089 -2.7089 -2.7011 -2.7011 -1.6158 -1.6158 -1.5235 -1.5235 -1.2298 -1.2298 0.1732 0.1732 0.4910 0.4910 0.7245 0.7245 1.1504 1.1504 1.2687 1.2687 2.3188 2.3188 2.8719 2.8719 4.5238 4.5238 4.5877 4.5877 4.9747 4.9747 5.2466 5.2466 5.7400 5.7400 6.2622 6.2622 6.2778 6.2778 7.0372 7.0372 7.1922 7.1922 12.6008 12.6008 13.6989 13.6989 14.3485 14.3485 14.4040 14.4040 14.9572 14.9572 k = 0.1757-0.0893-0.0647 ( 3787 PWs) bands (ev): -13.6524 -13.6524 -13.1789 -13.1789 -6.1078 -6.1078 -2.7411 -2.7411 -2.7226 -2.7226 -1.6300 -1.6300 -1.4690 -1.4690 -1.1583 -1.1583 0.1131 0.1131 0.4761 0.4761 0.6936 0.6936 1.1533 1.1533 1.3199 1.3199 2.3003 2.3003 2.9633 2.9633 4.5439 4.5439 4.5865 4.5865 4.9184 4.9184 5.2386 5.2386 5.7180 5.7180 6.2477 6.2477 6.3125 6.3125 7.0181 7.0181 7.1966 7.1966 12.5769 12.5769 13.6383 13.6383 14.3335 14.3335 14.3719 14.3719 14.9808 14.9808 k = 0.1892-0.0962-0.0697 ( 3789 PWs) bands (ev): -13.6473 -13.6473 -13.1836 -13.1836 -6.1137 -6.1137 -2.7722 -2.7722 -2.7412 -2.7412 -1.6478 -1.6478 -1.4146 -1.4146 -1.0821 -1.0821 0.0518 0.0518 0.4617 0.4617 0.6634 0.6634 1.1553 1.1553 1.3736 1.3736 2.2780 2.2780 3.0583 3.0583 4.5645 4.5645 4.5802 4.5802 4.8623 4.8623 5.2325 5.2325 5.6932 5.6932 6.2368 6.2368 6.3469 6.3469 6.9976 6.9976 7.2007 7.2007 12.5525 12.5525 13.5781 13.5781 14.3056 14.3056 14.3392 14.3392 14.9879 14.9879 k = 0.2027-0.1031-0.0747 ( 3782 PWs) bands (ev): -13.6419 -13.6419 -13.1886 -13.1886 -6.1199 -6.1199 -2.8021 -2.8021 -2.7573 -2.7573 -1.6676 -1.6676 -1.3604 -1.3604 -1.0027 -1.0027 -0.0105 -0.0105 0.4483 0.4483 0.6342 0.6342 1.1565 1.1565 1.4294 1.4294 2.2524 2.2524 3.1559 3.1559 4.5681 4.5681 4.5809 4.5809 4.8108 4.8108 5.2282 5.2282 5.6663 5.6663 6.2299 6.2299 6.3799 6.3799 6.9759 6.9759 7.2045 7.2045 12.5277 12.5277 13.5184 13.5184 14.2624 14.2624 14.3061 14.3061 14.9790 14.9790 k = 0.2162-0.1100-0.0796 ( 3782 PWs) bands (ev): -13.6363 -13.6363 -13.1939 -13.1939 -6.1264 -6.1264 -2.8308 -2.8308 -2.7707 -2.7707 -1.6883 -1.6883 -1.3067 -1.3067 -0.9213 -0.9213 -0.0734 -0.0734 0.4361 0.4361 0.6062 0.6062 1.1566 1.1566 1.4867 1.4867 2.2245 2.2245 3.2557 3.2557 4.5506 4.5506 4.5822 4.5822 4.7744 4.7744 5.2255 5.2255 5.6380 5.6380 6.2279 6.2279 6.4108 6.4108 6.9529 6.9529 7.2079 7.2079 12.5028 12.5028 13.4594 13.4594 14.2027 14.2027 14.2726 14.2726 14.9630 14.9630 k = 0.2297-0.1168-0.0846 ( 3783 PWs) bands (ev): -13.6304 -13.6304 -13.1994 -13.1994 -6.1332 -6.1332 -2.8582 -2.8582 -2.7815 -2.7815 -1.7093 -1.7093 -1.2537 -1.2537 -0.8385 -0.8385 -0.1366 -0.1366 0.4254 0.4254 0.5796 0.5796 1.1555 1.1555 1.5449 1.5449 2.1952 2.1952 3.3570 3.3570 4.5275 4.5275 4.5554 4.5554 4.7655 4.7655 5.2239 5.2239 5.6093 5.6093 6.2311 6.2311 6.4389 6.4389 6.9288 6.9288 7.2110 7.2110 12.4778 12.4778 13.4011 13.4011 14.1278 14.1278 14.2389 14.2389 14.9483 14.9483 k = 0.2432-0.1237-0.0896 ( 3783 PWs) bands (ev): -13.6242 -13.6242 -13.2051 -13.2051 -6.1401 -6.1401 -2.8844 -2.8844 -2.7900 -2.7900 -1.7301 -1.7301 -1.2018 -1.2018 -0.7549 -0.7549 -0.1999 -0.1999 0.4165 0.4165 0.5546 0.5546 1.1532 1.1532 1.6033 1.6033 2.1653 2.1653 3.4594 3.4594 4.4988 4.4988 4.5045 4.5045 4.7805 4.7805 5.2228 5.2228 5.5813 5.5813 6.2399 6.2399 6.4633 6.4633 6.9038 6.9038 7.2136 7.2136 12.4532 12.4532 13.3433 13.3433 14.0403 14.0403 14.2051 14.2051 14.9210 14.9210 k = 0.2568-0.1306-0.0946 ( 3783 PWs) bands (ev): -13.6179 -13.6179 -13.2111 -13.2111 -6.1471 -6.1471 -2.9094 -2.9094 -2.7962 -2.7962 -1.7503 -1.7503 -1.1511 -1.1511 -0.6708 -0.6708 -0.2631 -0.2631 0.4095 0.4095 0.5312 0.5312 1.1495 1.1495 1.6608 1.6608 2.1362 2.1362 3.5622 3.5622 4.4383 4.4383 4.4681 4.4681 4.8066 4.8066 5.2217 5.2217 5.5552 5.5552 6.2544 6.2544 6.4833 6.4833 6.8781 6.8781 7.2157 7.2157 12.4290 12.4290 13.2861 13.2861 13.9436 13.9436 14.1712 14.1712 14.8878 14.8878 k = 0.2703-0.1374-0.0995 ( 3785 PWs) bands (ev): -13.6114 -13.6114 -13.2171 -13.2171 -6.1542 -6.1542 -2.9330 -2.9330 -2.8002 -2.8002 -1.7697 -1.7697 -1.1020 -1.1020 -0.5869 -0.5869 -0.3258 -0.3258 0.4049 0.4049 0.5096 0.5096 1.1443 1.1443 1.7157 1.7157 2.1099 2.1099 3.6648 3.6648 4.3673 4.3673 4.4327 4.4327 4.8358 4.8358 5.2200 5.2200 5.5326 5.5326 6.2744 6.2744 6.4982 6.4982 6.8521 6.8521 7.2173 7.2173 12.4055 12.4055 13.2293 13.2293 13.8409 13.8409 14.1372 14.1372 14.8544 14.8544 k = 0.2838-0.1443-0.1045 ( 3783 PWs) bands (ev): -13.6048 -13.6048 -13.2233 -13.2233 -6.1613 -6.1613 -2.9553 -2.9553 -2.8023 -2.8023 -1.7879 -1.7879 -1.0547 -1.0547 -0.5034 -0.5034 -0.3877 -0.3877 0.4028 0.4028 0.4898 0.4898 1.1375 1.1375 1.7651 1.7651 2.0894 2.0894 3.7661 3.7661 4.2935 4.2935 4.3948 4.3948 4.8640 4.8640 5.2174 5.2174 5.5151 5.5151 6.2997 6.2997 6.5070 6.5070 6.8265 6.8265 7.2182 7.2182 12.3830 12.3830 13.1729 13.1729 13.7351 13.7351 14.1033 14.1033 14.8221 14.8221 k = 0.2973-0.1512-0.1095 ( 3787 PWs) bands (ev): -13.5981 -13.5981 -13.2297 -13.2297 -6.1684 -6.1684 -2.9763 -2.9763 -2.8026 -2.8026 -1.8047 -1.8047 -1.0095 -1.0095 -0.4488 -0.4488 -0.4209 -0.4209 0.4035 0.4035 0.4720 0.4720 1.1290 1.1290 1.8039 1.8039 2.0799 2.0799 3.8646 3.8646 4.2191 4.2191 4.3551 4.3551 4.8886 4.8886 5.2138 5.2138 5.5048 5.5048 6.3298 6.3298 6.5089 6.5089 6.8018 6.8018 7.2185 7.2185 12.3618 12.3618 13.1169 13.1169 13.6283 13.6283 14.0694 14.0694 14.7921 14.7921 k = 0.3108-0.1581-0.1145 ( 3787 PWs) bands (ev): -13.5914 -13.5914 -13.2360 -13.2360 -6.1753 -6.1753 -2.9959 -2.9959 -2.8013 -2.8013 -1.8201 -1.8201 -0.9668 -0.9668 -0.5085 -0.5085 -0.3400 -0.3400 0.4073 0.4073 0.4562 0.4562 1.1187 1.1187 1.8262 1.8262 2.0873 2.0873 3.9562 3.9562 4.1481 4.1481 4.3145 4.3145 4.9083 4.9083 5.2091 5.2091 5.5030 5.5030 6.3641 6.3641 6.5028 6.5028 6.7788 6.7788 7.2180 7.2180 12.3423 12.3423 13.0611 13.0611 13.5222 13.5222 14.0357 14.0357 14.7652 14.7652 k = 0.3243-0.1649-0.1194 ( 3786 PWs) bands (ev): -13.5846 -13.5846 -13.2424 -13.2424 -6.1821 -6.1821 -3.0143 -3.0143 -2.7987 -2.7987 -1.8339 -1.8339 -0.9267 -0.9267 -0.5668 -0.5668 -0.2611 -0.2611 0.4141 0.4141 0.4425 0.4425 1.1065 1.1065 1.8298 1.8298 2.1140 2.1140 4.0118 4.0118 4.1089 4.1089 4.2736 4.2736 4.9233 4.9233 5.2034 5.2034 5.5107 5.5107 6.4018 6.4018 6.4882 6.4882 6.7581 6.7581 7.2168 7.2168 12.3246 12.3246 13.0058 13.0058 13.4183 13.4183 14.0025 14.0025 14.7419 14.7419 k = 0.3378-0.1718-0.1244 ( 3785 PWs) bands (ev): -13.5779 -13.5779 -13.2488 -13.2488 -6.1887 -6.1887 -3.0312 -3.0312 -2.7950 -2.7950 -1.8459 -1.8459 -0.8895 -0.8895 -0.6232 -0.6232 -0.1850 -0.1850 0.4241 0.4241 0.4314 0.4314 1.0924 1.0924 1.8194 1.8194 2.1549 2.1549 3.9686 3.9686 4.1627 4.1627 4.2331 4.2331 4.9355 4.9355 5.1970 5.1970 5.5274 5.5274 6.4421 6.4421 6.4649 6.4649 6.7396 6.7396 7.2147 7.2147 12.3091 12.3091 12.9509 12.9509 13.3177 13.3177 13.9698 13.9698 14.7225 14.7225 k = 0.3514-0.1787-0.1294 ( 3791 PWs) bands (ev): -13.5712 -13.5712 -13.2551 -13.2551 -6.1950 -6.1950 -3.0469 -3.0469 -2.7904 -2.7904 -1.8562 -1.8562 -0.8555 -0.8555 -0.6774 -0.6774 -0.1125 -0.1125 0.4223 0.4223 0.4380 0.4380 1.0763 1.0763 1.8016 1.8016 2.2037 2.2037 3.8999 3.8999 4.1934 4.1934 4.2344 4.2344 4.9486 4.9486 5.1900 5.1900 5.5521 5.5521 6.4333 6.4333 6.4844 6.4844 6.7231 6.7231 7.2117 7.2117 12.2961 12.2961 12.8966 12.8966 13.2215 13.2215 13.9381 13.9381 14.7070 14.7070 k = 0.3649-0.1855-0.1344 ( 3789 PWs) bands (ev): -13.5647 -13.5647 -13.2613 -13.2613 -6.2009 -6.2009 -3.0612 -3.0612 -2.7852 -2.7852 -1.8646 -1.8646 -0.8247 -0.8247 -0.7291 -0.7291 -0.0447 -0.0447 0.4167 0.4167 0.4547 0.4547 1.0582 1.0582 1.7805 1.7805 2.2558 2.2558 3.8298 3.8298 4.1556 4.1556 4.2965 4.2965 4.9675 4.9675 5.1827 5.1827 5.5827 5.5827 6.3944 6.3944 6.5276 6.5276 6.7078 6.7078 7.2077 7.2077 12.2859 12.2859 12.8433 12.8433 13.1305 13.1305 13.9077 13.9077 14.6952 14.6952 k = 0.3784-0.1924-0.1394 ( 3789 PWs) bands (ev): -13.5585 -13.5585 -13.2672 -13.2672 -6.2065 -6.2065 -3.0741 -3.0741 -2.7797 -2.7797 -1.8713 -1.8713 -0.7981 -0.7981 -0.7772 -0.7772 0.0173 0.0173 0.4145 0.4145 0.4747 0.4747 1.0381 1.0381 1.7586 1.7586 2.3083 2.3083 3.7619 3.7619 4.1198 4.1198 4.3436 4.3436 4.9971 4.9971 5.1754 5.1754 5.6172 5.6172 6.3493 6.3493 6.5711 6.5711 6.6930 6.6930 7.2027 7.2027 12.2786 12.2786 12.7911 12.7911 13.0455 13.0455 13.8789 13.8789 14.6867 14.6867 k = 0.3919-0.1993-0.1443 ( 3798 PWs) bands (ev): -13.5525 -13.5525 -13.2729 -13.2729 -6.2116 -6.2116 -3.0857 -3.0857 -2.7740 -2.7740 -1.8763 -1.8763 -0.8244 -0.8244 -0.7722 -0.7722 0.0721 0.0721 0.4164 0.4164 0.4976 0.4976 1.0160 1.0160 1.7374 1.7374 2.3596 2.3596 3.6976 3.6976 4.0865 4.0865 4.3736 4.3736 5.0404 5.0404 5.1681 5.1681 5.6535 5.6535 6.2988 6.2988 6.6139 6.6139 6.6783 6.6783 7.1968 7.1968 12.2744 12.2744 12.7405 12.7405 12.9674 12.9674 13.8520 13.8520 14.6810 14.6810 k = 0.4054-0.2062-0.1493 ( 3800 PWs) bands (ev): -13.5469 -13.5469 -13.2782 -13.2782 -6.2163 -6.2163 -3.0959 -3.0959 -2.7684 -2.7684 -1.8798 -1.8798 -0.8661 -0.8661 -0.7515 -0.7515 0.1183 0.1183 0.4230 0.4230 0.5233 0.5233 0.9920 0.9920 1.7177 1.7177 2.4081 2.4081 3.6378 3.6378 4.0561 4.0561 4.3877 4.3877 5.0972 5.0972 5.1613 5.1613 5.6897 5.6897 6.2440 6.2440 6.6553 6.6553 6.6635 6.6635 7.1899 7.1899 12.2735 12.2735 12.6917 12.6917 12.8967 12.8967 13.8275 13.8275 14.6777 14.6777 k = 0.4189-0.2130-0.1543 ( 3795 PWs) bands (ev): -13.5418 -13.5418 -13.2831 -13.2831 -6.2204 -6.2204 -3.1047 -3.1047 -2.7631 -2.7631 -1.8819 -1.8819 -0.9039 -0.9039 -0.7337 -0.7337 0.1550 0.1550 0.4344 0.4344 0.5511 0.5511 0.9662 0.9662 1.7000 1.7000 2.4528 2.4528 3.5837 3.5837 4.0291 4.0291 4.3896 4.3896 5.1549 5.1549 5.1651 5.1651 5.7237 5.7237 6.1859 6.1859 6.6485 6.6485 6.6946 6.6946 7.1823 7.1823 12.2758 12.2758 12.6453 12.6453 12.8340 12.8340 13.8056 13.8056 14.6762 14.6762 k = 0.4324-0.2199-0.1593 ( 3798 PWs) bands (ev): -13.5373 -13.5373 -13.2875 -13.2875 -6.2240 -6.2240 -3.1122 -3.1122 -2.7583 -2.7583 -1.8829 -1.8829 -0.9370 -0.9370 -0.7190 -0.7190 0.1823 0.1823 0.4497 0.4497 0.5807 0.5807 0.9391 0.9391 1.6847 1.6847 2.4927 2.4927 3.5360 3.5360 4.0057 4.0057 4.3836 4.3836 5.1494 5.1494 5.2405 5.2405 5.7533 5.7533 6.1260 6.1260 6.6341 6.6341 6.7307 6.7307 7.1740 7.1740 12.2813 12.2813 12.6018 12.6018 12.7800 12.7800 13.7866 13.7866 14.6760 14.6760 k = 0.4459-0.2268-0.1642 ( 3800 PWs) bands (ev): -13.5334 -13.5334 -13.2912 -13.2912 -6.2269 -6.2269 -3.1184 -3.1184 -2.7542 -2.7542 -1.8832 -1.8832 -0.9650 -0.9650 -0.7071 -0.7071 0.2012 0.2012 0.4670 0.4670 0.6113 0.6113 0.9109 0.9109 1.6719 1.6719 2.5268 2.5268 3.4958 3.4958 3.9861 3.9861 4.3736 4.3736 5.1446 5.1446 5.3200 5.3200 5.7752 5.7752 6.0671 6.0671 6.6206 6.6206 6.7626 6.7626 7.1657 7.1657 12.2896 12.2896 12.5619 12.5619 12.7351 12.7351 13.7708 13.7708 14.6765 14.6765 k = 0.4595-0.2336-0.1692 ( 3796 PWs) bands (ev): -13.5302 -13.5302 -13.2942 -13.2942 -6.2293 -6.2293 -3.1231 -3.1231 -2.7508 -2.7508 -1.8829 -1.8829 -0.9873 -0.9873 -0.6981 -0.6981 0.2136 0.2136 0.4837 0.4837 0.6419 0.6419 0.8824 0.8824 1.6619 1.6619 2.5543 2.5543 3.4636 3.4636 3.9707 3.9707 4.3628 4.3628 5.1408 5.1408 5.4005 5.4005 5.7843 5.7843 6.0141 6.0141 6.6089 6.6089 6.7894 6.7894 7.1578 7.1578 12.3000 12.3000 12.5265 12.5265 12.6997 12.6997 13.7583 13.7583 14.6773 14.6773 k = 0.4730-0.2405-0.1742 ( 3798 PWs) bands (ev): -13.5279 -13.5279 -13.2964 -13.2964 -6.2309 -6.2309 -3.1265 -3.1265 -2.7484 -2.7484 -1.8825 -1.8825 -1.0036 -1.0036 -0.6917 -0.6917 0.2212 0.2212 0.4974 0.4974 0.6707 0.6707 0.8553 0.8553 1.6547 1.6547 2.5745 2.5745 3.4401 3.4401 3.9596 3.9596 4.3534 4.3534 5.1381 5.1381 5.4781 5.4781 5.7735 5.7735 5.9753 5.9753 6.5998 6.5998 6.8098 6.8098 7.1511 7.1511 12.3112 12.3112 12.4973 12.4973 12.6741 12.6741 13.7492 13.7492 14.6782 14.6782 k = 0.4865-0.2474-0.1792 ( 3796 PWs) bands (ev): -13.5265 -13.5265 -13.2978 -13.2978 -6.2320 -6.2320 -3.1286 -3.1286 -2.7469 -2.7469 -1.8821 -1.8821 -1.0136 -1.0136 -0.6880 -0.6880 0.2253 0.2253 0.5063 0.5063 0.6940 0.6940 0.8331 0.8331 1.6503 1.6503 2.5869 2.5869 3.4259 3.4259 3.9529 3.9529 4.3472 4.3472 5.1364 5.1364 5.5456 5.5456 5.7434 5.7434 5.9554 5.9554 6.5940 6.5940 6.8227 6.8227 7.1466 7.1466 12.3206 12.3206 12.4771 12.4771 12.6587 12.6587 13.7438 13.7438 14.6788 14.6789 k = 0.5000-0.2543-0.1841 ( 3796 PWs) bands (ev): -13.5260 -13.5260 -13.2983 -13.2983 -6.2323 -6.2323 -3.1293 -3.1293 -2.7463 -2.7463 -1.8820 -1.8820 -1.0169 -1.0169 -0.6867 -0.6867 0.2266 0.2266 0.5094 0.5094 0.7037 0.7037 0.8238 0.8238 1.6489 1.6489 2.5910 2.5910 3.4211 3.4211 3.9506 3.9506 4.3450 4.3450 5.1358 5.1358 5.5787 5.5787 5.7217 5.7217 5.9501 5.9501 6.5919 6.5919 6.8271 6.8271 7.1450 7.1450 12.3244 12.3244 12.4697 12.4697 12.6536 12.6536 13.7419 13.7419 14.6791 14.6791 k = 0.5000-0.2543-0.1841 ( 3796 PWs) bands (ev): -13.5260 -13.5260 -13.2983 -13.2983 -6.2323 -6.2323 -3.1293 -3.1293 -2.7463 -2.7463 -1.8820 -1.8820 -1.0169 -1.0169 -0.6867 -0.6867 0.2266 0.2266 0.5094 0.5094 0.7037 0.7037 0.8238 0.8238 1.6489 1.6489 2.5910 2.5910 3.4211 3.4211 3.9506 3.9506 4.3450 4.3450 5.1358 5.1358 5.5787 5.5787 5.7217 5.7217 5.9501 5.9501 6.5919 6.5919 6.8271 6.8271 7.1450 7.1450 12.3244 12.3244 12.4697 12.4697 12.6536 12.6536 13.7419 13.7419 14.6791 14.6791 k = 0.5000-0.2448-0.1973 ( 3798 PWs) bands (ev): -13.5258 -13.5258 -13.2985 -13.2985 -6.2322 -6.2322 -3.1284 -3.1284 -2.7486 -2.7486 -1.8826 -1.8826 -1.0180 -1.0180 -0.6833 -0.6833 0.2266 0.2266 0.5056 0.5056 0.7058 0.7058 0.8203 0.8203 1.6592 1.6592 2.5917 2.5917 3.4206 3.4206 3.9465 3.9465 4.3457 4.3457 5.1311 5.1311 5.5774 5.5774 5.7214 5.7214 5.9523 5.9523 6.5918 6.5918 6.8295 6.8295 7.1449 7.1449 12.3234 12.3234 12.4739 12.4739 12.6528 12.6528 13.7417 13.7417 14.6767 14.6767 k = 0.5000-0.2353-0.2104 ( 3796 PWs) bands (ev): -13.5252 -13.5252 -13.2991 -13.2991 -6.2321 -6.2321 -3.1260 -3.1260 -2.7553 -2.7553 -1.8845 -1.8845 -1.0215 -1.0215 -0.6732 -0.6732 0.2270 0.2270 0.4938 0.4938 0.7119 0.7119 0.8110 0.8110 1.6891 1.6891 2.5936 2.5936 3.4192 3.4192 3.9343 3.9343 4.3475 4.3475 5.1174 5.1174 5.5733 5.5733 5.7205 5.7205 5.9591 5.9591 6.5912 6.5912 6.8365 6.8365 7.1445 7.1445 12.3204 12.3204 12.4864 12.4864 12.6507 12.6507 13.7410 13.7410 14.6699 14.6699 k = 0.5000-0.2258-0.2235 ( 3796 PWs) bands (ev): -13.5241 -13.5241 -13.3001 -13.3001 -6.2318 -6.2318 -3.1219 -3.1219 -2.7663 -2.7663 -1.8877 -1.8877 -1.0272 -1.0272 -0.6566 -0.6566 0.2279 0.2279 0.4741 0.4741 0.7216 0.7216 0.7986 0.7986 1.7361 1.7361 2.5967 2.5967 3.4169 3.4169 3.9143 3.9143 4.3505 4.3505 5.0957 5.0957 5.5655 5.5655 5.7192 5.7192 5.9703 5.9703 6.5904 6.5904 6.8481 6.8481 7.1438 7.1438 12.3154 12.3154 12.5068 12.5068 12.6474 12.6474 13.7393 13.7393 14.6594 14.6594 k = 0.5000-0.2163-0.2366 ( 3790 PWs) bands (ev): -13.5227 -13.5227 -13.3015 -13.3015 -6.2313 -6.2313 -3.1162 -3.1162 -2.7813 -2.7813 -1.8922 -1.8922 -1.0350 -1.0350 -0.6338 -0.6338 0.2298 0.2298 0.4466 0.4466 0.7343 0.7343 0.7862 0.7862 1.7969 1.7969 2.6012 2.6012 3.4137 3.4137 3.8867 3.8867 4.3544 4.3544 5.0674 5.0674 5.5534 5.5534 5.7173 5.7173 5.9855 5.9855 6.5893 6.5893 6.8642 6.8642 7.1427 7.1427 12.3084 12.3084 12.5339 12.5339 12.6439 12.6439 13.7361 13.7361 14.6462 14.6462 k = 0.5000-0.2068-0.2497 ( 3794 PWs) bands (ev): -13.5208 -13.5208 -13.3033 -13.3033 -6.2308 -6.2308 -3.1090 -3.1090 -2.8000 -2.8000 -1.8982 -1.8982 -1.0451 -1.0451 -0.6054 -0.6054 0.2334 0.2334 0.4123 0.4123 0.7491 0.7491 0.7761 0.7761 1.8684 1.8684 2.6068 2.6068 3.4098 3.4098 3.8521 3.8521 4.3591 4.3591 5.0337 5.0337 5.5367 5.5367 5.7149 5.7149 6.0039 6.0039 6.5882 6.5882 6.8845 6.8845 7.1411 7.1411 12.2992 12.2992 12.5644 12.5644 12.6431 12.6431 13.7304 13.7304 14.6320 14.6320 k = 0.5000-0.1973-0.2628 ( 3788 PWs) bands (ev): -13.5185 -13.5185 -13.3054 -13.3054 -6.2300 -6.2300 -3.1004 -3.1004 -2.8220 -2.8220 -1.9056 -1.9056 -1.0571 -1.0571 -0.5718 -0.5718 0.2391 0.2391 0.3726 0.3726 0.7633 0.7633 0.7712 0.7712 1.9483 1.9483 2.6136 2.6136 3.4053 3.4053 3.8110 3.8110 4.3645 4.3645 4.9958 4.9958 5.5158 5.5158 5.7121 5.7121 6.0245 6.0245 6.5870 6.5870 6.9090 6.9090 7.1388 7.1388 12.2880 12.2880 12.5865 12.5865 12.6565 12.6565 13.7214 13.7214 14.6186 14.6186 k = 0.5000-0.1878-0.2759 ( 3788 PWs) bands (ev): -13.5158 -13.5158 -13.3080 -13.3080 -6.2289 -6.2289 -3.0906 -3.0906 -2.8468 -2.8468 -1.9146 -1.9146 -1.0709 -1.0709 -0.5336 -0.5336 0.2474 0.2474 0.3294 0.3294 0.7634 0.7634 0.7844 0.7844 2.0345 2.0345 2.6215 2.6215 3.4003 3.4003 3.7638 3.7638 4.3703 4.3703 4.9543 4.9543 5.4915 5.4915 5.7089 5.7089 6.0460 6.0460 6.5860 6.5860 6.9374 6.9374 7.1358 7.1358 12.2746 12.2746 12.5887 12.5887 12.6949 12.6949 13.7078 13.7078 14.6077 14.6077 k = 0.5000-0.1783-0.2890 ( 3784 PWs) bands (ev): -13.5126 -13.5126 -13.3110 -13.3110 -6.2277 -6.2277 -3.0795 -3.0795 -2.8740 -2.8740 -1.9252 -1.9252 -1.0864 -1.0864 -0.4916 -0.4916 0.2588 0.2588 0.2846 0.2846 0.7627 0.7627 0.8013 0.8013 2.1256 2.1256 2.6306 2.6306 3.3952 3.3952 3.7111 3.7111 4.3766 4.3766 4.9097 4.9097 5.4649 5.4649 5.7055 5.7055 6.0674 6.0674 6.5853 6.5853 6.9693 6.9693 7.1319 7.1319 12.2591 12.2591 12.5796 12.5796 12.7491 12.7491 13.6888 13.6888 14.6010 14.6010 k = 0.5000-0.1688-0.3021 ( 3788 PWs) bands (ev): -13.5092 -13.5092 -13.3143 -13.3143 -6.2261 -6.2261 -3.0674 -3.0674 -2.9031 -2.9031 -1.9377 -1.9377 -1.1033 -1.1033 -0.4463 -0.4463 0.2394 0.2394 0.2736 0.2736 0.7645 0.7645 0.8176 0.8176 2.2202 2.2202 2.6408 2.6408 3.3901 3.3901 3.6536 3.6536 4.3832 4.3832 4.8622 4.8622 5.4373 5.4373 5.7020 5.7020 6.0876 6.0876 6.5851 6.5851 7.0045 7.0045 7.1270 7.1270 12.2416 12.2416 12.5657 12.5657 12.8120 12.8120 13.6634 13.6634 14.5998 14.5998 k = 0.5000-0.1594-0.3152 ( 3790 PWs) bands (ev): -13.5053 -13.5053 -13.3180 -13.3180 -6.2241 -6.2241 -3.0544 -3.0544 -2.9338 -2.9338 -1.9521 -1.9521 -1.1212 -1.1212 -0.3987 -0.3987 0.1954 0.1954 0.2918 0.2918 0.7687 0.7687 0.8324 0.8324 2.3175 2.3175 2.6520 2.6520 3.3855 3.3855 3.5918 3.5918 4.3900 4.3900 4.8116 4.8116 5.4100 5.4100 5.6986 5.6986 6.1058 6.1058 6.5853 6.5853 7.0427 7.0427 7.1210 7.1210 12.2222 12.2222 12.5488 12.5488 12.8810 12.8810 13.6316 13.6316 14.6047 14.6047 k = 0.5000-0.1499-0.3283 ( 3792 PWs) bands (ev): -13.5010 -13.5010 -13.3220 -13.3220 -6.2217 -6.2217 -3.0408 -3.0408 -2.9655 -2.9655 -1.9684 -1.9684 -1.1398 -1.1398 -0.3493 -0.3493 0.1535 0.1535 0.3136 0.3136 0.7753 0.7753 0.8450 0.8450 2.4167 2.4167 2.6643 2.6643 3.3814 3.3814 3.5264 3.5264 4.3971 4.3971 4.7579 4.7579 5.3842 5.3842 5.6954 5.6954 6.1214 6.1214 6.5860 6.5860 7.0832 7.0832 7.1137 7.1137 12.2011 12.2011 12.5295 12.5295 12.9546 12.9546 13.5935 13.5935 14.6156 14.6156 k = 0.5000-0.1404-0.3414 ( 3792 PWs) bands (ev): -13.4965 -13.4965 -13.3264 -13.3264 -6.2188 -6.2188 -3.0267 -3.0267 -2.9980 -2.9980 -1.9869 -1.9869 -1.1586 -1.1586 -0.2991 -0.2991 0.1144 0.1144 0.3389 0.3389 0.7842 0.7842 0.8549 0.8549 2.5169 2.5169 2.6777 2.6777 3.3785 3.3785 3.4581 3.4581 4.4043 4.4043 4.7009 4.7009 5.3609 5.3609 5.6928 5.6928 6.1341 6.1341 6.5874 6.5874 7.1052 7.1052 7.1259 7.1259 12.1784 12.1784 12.5079 12.5079 13.0314 13.0314 13.5497 13.5497 14.6314 14.6314 k = 0.5000-0.1309-0.3545 ( 3796 PWs) bands (ev): -13.4915 -13.4915 -13.3311 -13.3311 -6.2154 -6.2154 -3.0311 -3.0311 -3.0120 -3.0120 -2.0075 -2.0075 -1.1774 -1.1774 -0.2490 -0.2490 0.0787 0.0787 0.3676 0.3676 0.7953 0.7953 0.8615 0.8615 2.6174 2.6174 2.6922 2.6922 3.3768 3.3768 3.3877 3.3877 4.4116 4.4116 4.6405 4.6405 5.3411 5.3411 5.6911 5.6911 6.1435 6.1435 6.5892 6.5892 7.0954 7.0954 7.1699 7.1699 12.1545 12.1545 12.4841 12.4841 13.1102 13.1102 13.5012 13.5012 14.6492 14.6492 k = 0.5000-0.1214-0.3676 ( 3792 PWs) bands (ev): -13.4863 -13.4863 -13.3361 -13.3361 -6.2115 -6.2115 -3.0641 -3.0641 -2.9976 -2.9976 -2.0302 -2.0302 -1.1956 -1.1956 -0.1999 -0.1999 0.0473 0.0473 0.3994 0.3994 0.8087 0.8087 0.8646 0.8646 2.7079 2.7079 2.7176 2.7176 3.3161 3.3161 3.3769 3.3769 4.4189 4.4189 4.5768 4.5768 5.3252 5.3252 5.6905 5.6905 6.1494 6.1494 6.5915 6.5915 7.0844 7.0844 7.2149 7.2149 12.1295 12.1295 12.4585 12.4585 13.1894 13.1894 13.4488 13.4488 14.6623 14.6623 k = 0.5000-0.1119-0.3807 ( 3798 PWs) bands (ev): -13.4807 -13.4807 -13.3414 -13.3414 -6.2069 -6.2069 -3.0969 -3.0969 -2.9833 -2.9833 -2.0552 -2.0552 -1.2128 -1.2128 -0.1534 -0.1534 0.0209 0.0209 0.4338 0.4338 0.8244 0.8244 0.8642 0.8642 2.7249 2.7249 2.8162 2.8162 3.2447 3.2447 3.3788 3.3788 4.4262 4.4262 4.5099 4.5099 5.3137 5.3137 5.6916 5.6916 6.1517 6.1517 6.5940 6.5940 7.0723 7.0723 7.2603 7.2603 12.1037 12.1037 12.4309 12.4309 13.2670 13.2670 13.3937 13.3937 14.6573 14.6573 k = 0.5000-0.1024-0.3938 ( 3794 PWs) bands (ev): -13.4748 -13.4748 -13.3471 -13.3471 -6.2016 -6.2016 -3.1294 -3.1294 -2.9693 -2.9693 -2.0823 -2.0823 -1.2285 -1.2285 -0.1124 -0.1124 0.0019 0.0019 0.4701 0.4701 0.8420 0.8420 0.8608 0.8608 2.7432 2.7432 2.9110 2.9110 3.1760 3.1760 3.3829 3.3829 4.4333 4.4333 4.4401 4.4401 5.3066 5.3066 5.6946 5.6946 6.1505 6.1505 6.5963 6.5963 7.0595 7.0595 7.3055 7.3055 12.0775 12.0775 12.4017 12.4017 13.3366 13.3366 13.3410 13.3410 14.6303 14.6303 k = 0.5000-0.0929-0.4069 ( 3794 PWs) bands (ev): -13.4686 -13.4686 -13.3530 -13.3530 -6.1957 -6.1957 -3.1612 -3.1612 -2.9560 -2.9560 -2.1115 -2.1115 -1.2423 -1.2423 -0.0844 -0.0844 -0.0030 -0.0030 0.5069 0.5069 0.8508 0.8508 0.8659 0.8659 2.7631 2.7631 2.9910 2.9910 3.1213 3.1213 3.3892 3.3892 4.3679 4.3679 4.4401 4.4401 5.3039 5.3039 5.7002 5.7002 6.1458 6.1458 6.5981 6.5981 7.0463 7.0463 7.3502 7.3502 12.0512 12.0512 12.3709 12.3709 13.2784 13.2784 13.4081 13.4081 14.5919 14.5919 k = 0.5000-0.0834-0.4200 ( 3792 PWs) bands (ev): -13.4622 -13.4622 -13.3592 -13.3592 -6.1889 -6.1889 -3.1922 -3.1922 -2.9436 -2.9436 -2.1427 -2.1427 -1.2538 -1.2538 -0.0779 -0.0779 0.0140 0.0140 0.5421 0.5421 0.8443 0.8443 0.8877 0.8877 2.7847 2.7847 2.9967 2.9967 3.1406 3.1406 3.3977 3.3977 4.2936 4.2936 4.4467 4.4467 5.3055 5.3055 5.7087 5.7087 6.1375 6.1375 6.5986 6.5986 7.0334 7.0334 7.3936 7.3936 12.0251 12.0251 12.3387 12.3387 13.2195 13.2195 13.4653 13.4653 14.5487 14.5487 k = 0.5000-0.0739-0.4331 ( 3788 PWs) bands (ev): -13.4556 -13.4556 -13.3656 -13.3656 -6.1814 -6.1814 -3.2222 -3.2222 -2.9322 -2.9322 -2.1756 -2.1756 -1.2625 -1.2625 -0.0837 -0.0837 0.0429 0.0429 0.5715 0.5715 0.8397 0.8397 0.9125 0.9125 2.8080 2.8080 2.9433 2.9433 3.2193 3.2193 3.4083 3.4083 4.2180 4.2180 4.4528 4.4528 5.3109 5.3109 5.7206 5.7206 6.1259 6.1259 6.5969 6.5969 7.0216 7.0216 7.4356 7.4356 11.9995 11.9995 12.3055 12.3055 13.1602 13.1602 13.5088 13.5088 14.5031 14.5031 k = 0.5000-0.0645-0.4462 ( 3796 PWs) bands (ev): -13.4487 -13.4487 -13.3722 -13.3722 -6.1730 -6.1730 -3.2510 -3.2510 -2.9222 -2.9222 -2.2102 -2.2102 -1.2682 -1.2682 -0.0917 -0.0917 0.0730 0.0730 0.5891 0.5891 0.8437 0.8437 0.9390 0.9390 2.8332 2.8332 2.8844 2.8844 3.3041 3.3041 3.4209 3.4209 4.1414 4.1414 4.4584 4.4584 5.3199 5.3199 5.7366 5.7366 6.1109 6.1109 6.5922 6.5922 7.0119 7.0119 7.4755 7.4755 11.9746 11.9746 12.2716 12.2716 13.1008 13.1008 13.5354 13.5354 14.4562 14.4562 k = 0.5000-0.0550-0.4593 ( 3802 PWs) bands (ev): -13.4415 -13.4415 -13.3791 -13.3791 -6.1638 -6.1638 -3.2785 -3.2785 -2.9136 -2.9136 -2.2462 -2.2462 -1.2704 -1.2704 -0.0992 -0.0992 0.1009 0.1009 0.5890 0.5890 0.8621 0.8621 0.9665 0.9665 2.8289 2.8289 2.8603 2.8603 3.3870 3.3870 3.4350 3.4350 4.0648 4.0648 4.4634 4.4634 5.3321 5.3321 5.7569 5.7569 6.0929 6.0929 6.5831 6.5831 7.0054 7.0054 7.5131 7.5131 11.9509 11.9509 12.2371 12.2371 13.0411 13.0411 13.5435 13.5435 14.4085 14.4085 k = 0.5000-0.0455-0.4724 ( 3802 PWs) bands (ev): -13.4343 -13.4343 -13.3861 -13.3861 -6.1536 -6.1536 -3.3047 -3.3047 -2.9066 -2.9066 -2.2835 -2.2835 -1.2689 -1.2689 -0.1056 -0.1056 0.1255 0.1255 0.5702 0.5702 0.8960 0.8960 0.9943 0.9943 2.7795 2.7795 2.8894 2.8894 3.4500 3.4500 3.4659 3.4659 3.9890 3.9890 4.4678 4.4678 5.3469 5.3469 5.7821 5.7821 6.0720 6.0720 6.5687 6.5687 7.0031 7.0031 7.5481 7.5481 11.9284 11.9284 12.2026 12.2026 12.9812 12.9812 13.5337 13.5337 14.3605 14.3605 k = 0.5000-0.0360-0.4856 ( 3800 PWs) bands (ev): -13.4268 -13.4268 -13.3934 -13.3934 -6.1426 -6.1426 -3.3293 -3.3293 -2.9013 -2.9013 -2.3217 -2.3217 -1.2636 -1.2636 -0.1116 -0.1116 0.1469 0.1469 0.5363 0.5363 0.9415 0.9415 1.0213 1.0213 2.7378 2.7378 2.9205 2.9205 3.4648 3.4648 3.5400 3.5400 3.9152 3.9152 4.4716 4.4716 5.3637 5.3637 5.8125 5.8125 6.0487 6.0487 6.5482 6.5482 7.0060 7.0060 7.5801 7.5801 11.9074 11.9074 12.1684 12.1684 12.9207 12.9207 13.5086 13.5086 14.3126 14.3126 k = 0.5000-0.0265-0.4987 ( 3802 PWs) bands (ev): -13.4192 -13.4192 -13.4008 -13.4008 -6.1307 -6.1307 -3.3524 -3.3524 -2.8977 -2.8977 -2.3606 -2.3606 -1.2541 -1.2541 -0.1178 -0.1178 0.1653 0.1653 0.4915 0.4915 0.9947 0.9947 1.0467 1.0467 2.7053 2.7053 2.9535 2.9535 3.4774 3.4774 3.6085 3.6085 3.8457 3.8457 4.4746 4.4746 5.3821 5.3821 5.8483 5.8483 6.0234 6.0234 6.5211 6.5211 7.0144 7.0144 7.6091 7.6091 11.8880 11.8880 12.1348 12.1348 12.8594 12.8594 13.4715 13.4715 14.2651 14.2651 k = 0.5000-0.0170-0.5118 ( 3806 PWs) bands (ev): -13.4114 -13.4114 -13.4083 -13.4083 -6.1179 -6.1179 -3.3738 -3.3738 -2.8957 -2.8957 -2.4000 -2.4000 -1.2405 -1.2405 -0.1254 -0.1254 0.1812 0.1812 0.4384 0.4384 1.0529 1.0529 1.0699 1.0699 2.6831 2.6831 2.9885 2.9885 3.4839 3.4839 3.6711 3.6711 3.7844 3.7844 4.4771 4.4771 5.4010 5.4010 5.8895 5.8895 5.9968 5.9968 6.4875 6.4875 7.0285 7.0285 7.6347 7.6347 11.8703 11.8703 12.1022 12.1022 12.7970 12.7970 13.4257 13.4257 14.2183 14.2183 k = 0.5000-0.0075-0.5249 ( 3804 PWs) bands (ev): -13.4159 -13.4159 -13.4036 -13.4036 -6.1041 -6.1041 -3.3936 -3.3936 -2.8953 -2.8953 -2.4396 -2.4396 -1.2228 -1.2228 -0.1355 -0.1355 0.1956 0.1956 0.3788 0.3788 1.0901 1.0901 1.1147 1.1147 2.6721 2.6721 3.0252 3.0252 3.4778 3.4778 3.7272 3.7272 3.7380 3.7380 4.4791 4.4791 5.4195 5.4195 5.9360 5.9360 5.9699 5.9699 6.4478 6.4478 7.0480 7.0480 7.6570 7.6570 11.8542 11.8542 12.0711 12.0711 12.7334 12.7334 13.3742 13.3742 14.1728 14.1728 k = 0.5000 0.0020-0.5380 ( 3798 PWs) bands (ev): -13.4236 -13.4236 -13.3957 -13.3957 -6.0895 -6.0895 -3.4115 -3.4115 -2.8964 -2.8964 -2.4793 -2.4793 -1.2010 -1.2010 -0.1494 -0.1494 0.2092 0.2092 0.3138 0.3138 1.1076 1.1076 1.1786 1.1786 2.6727 2.6727 3.0636 3.0636 3.4520 3.4520 3.7133 3.7133 3.7771 3.7771 4.4806 4.4806 5.4360 5.4360 5.9440 5.9440 5.9875 5.9875 6.4024 6.4024 7.0726 7.0726 7.6757 7.6757 11.8394 11.8394 12.0418 12.0418 12.6685 12.6685 13.3188 13.3188 14.1288 14.1288 k = 0.5000 0.0115-0.5511 ( 3794 PWs) bands (ev): -13.4314 -13.4314 -13.3877 -13.3877 -6.0740 -6.0740 -3.4277 -3.4277 -2.8988 -2.8988 -2.5186 -2.5186 -1.1752 -1.1752 -0.1684 -0.1684 0.2224 0.2224 0.2448 0.2448 1.1225 1.1225 1.2442 1.2442 2.6849 2.6849 3.1035 3.1035 3.4066 3.4066 3.7105 3.7105 3.8202 3.8202 4.4819 4.4819 5.4489 5.4489 5.9212 5.9212 6.0433 6.0433 6.3522 6.3522 7.1020 7.1020 7.6909 7.6909 11.8256 11.8256 12.0146 12.0146 12.6022 12.6022 13.2613 13.2613 14.0867 14.0867 k = 0.5000 0.0210-0.5642 ( 3790 PWs) bands (ev): -13.4392 -13.4392 -13.3797 -13.3797 -6.0576 -6.0576 -3.4421 -3.4421 -2.9023 -2.9023 -2.5575 -2.5575 -1.1455 -1.1455 -0.1933 -0.1933 0.1707 0.1707 0.2375 0.2375 1.1355 1.1355 1.3107 1.3107 2.7081 2.7081 3.1446 3.1446 3.3490 3.3490 3.7225 3.7225 3.8566 3.8566 4.4831 4.4831 5.4557 5.4557 5.9036 5.9036 6.1019 6.1019 6.2986 6.2986 7.1359 7.1359 7.7027 7.7027 11.8122 11.8122 11.9898 11.9898 12.5350 12.5350 13.2026 13.2026 14.0469 14.0469 k = 0.5000 0.0305-0.5773 ( 3786 PWs) bands (ev): -13.4471 -13.4471 -13.3717 -13.3717 -6.0405 -6.0405 -3.4547 -3.4547 -2.9067 -2.9067 -2.5957 -2.5957 -1.1122 -1.1122 -0.2250 -0.2250 0.0943 0.0943 0.2527 0.2527 1.1475 1.1475 1.3776 1.3776 2.7417 2.7417 3.1861 3.1861 3.2862 3.2862 3.7429 3.7429 3.8866 3.8866 4.4844 4.4844 5.4541 5.4541 5.8938 5.8938 6.1565 6.1565 6.2480 6.2480 7.1739 7.1739 7.7109 7.7109 11.7984 11.7984 11.9677 11.9677 12.4676 12.4676 13.1437 13.1437 14.0095 14.0095 k = 0.5000 0.0399-0.5904 ( 3788 PWs) bands (ev): -13.4550 -13.4550 -13.3637 -13.3637 -6.0226 -6.0226 -3.4656 -3.4656 -2.9117 -2.9117 -2.6330 -2.6330 -1.0756 -1.0756 -0.2636 -0.2636 0.0152 0.0152 0.2692 0.2692 1.1596 1.1596 1.4444 1.4444 2.7845 2.7845 3.2075 3.2075 3.2422 3.2422 3.7679 3.7679 3.9103 3.9103 4.4858 4.4858 5.4424 5.4424 5.8936 5.8936 6.1533 6.1533 6.2541 6.2541 7.2160 7.2160 7.7159 7.7159 11.7829 11.7829 11.9485 11.9485 12.4009 12.4009 13.0852 13.0852 13.9748 13.9748 k = 0.7377 0.1858-0.1462 ( 3788 PWs) bands (ev): -13.4550 -13.4550 -13.3637 -13.3637 -6.0226 -6.0226 -3.4656 -3.4656 -2.9117 -2.9117 -2.6330 -2.6330 -1.0756 -1.0756 -0.2636 -0.2636 0.0152 0.0152 0.2692 0.2692 1.1596 1.1596 1.4444 1.4444 2.7845 2.7845 3.2075 3.2075 3.2422 3.2422 3.7679 3.7679 3.9103 3.9103 4.4858 4.4858 5.4424 5.4424 5.8936 5.8936 6.1533 6.1533 6.2541 6.2541 7.2160 7.2160 7.7159 7.7159 11.7829 11.7829 11.9485 11.9485 12.4009 12.4009 13.0852 13.0852 13.9748 13.9748 k = 0.7293 0.1901-0.1330 ( 3786 PWs) bands (ev): -13.4628 -13.4628 -13.3556 -13.3556 -6.0039 -6.0039 -3.4748 -3.4748 -2.9169 -2.9169 -2.6692 -2.6692 -1.0359 -1.0359 -0.3094 -0.3094 -0.0663 -0.0663 0.2867 0.2867 1.1729 1.1729 1.5109 1.5109 2.8356 2.8356 3.1481 3.1481 3.2795 3.2795 3.7957 3.7957 3.9281 3.9281 4.4875 4.4875 5.4202 5.4202 5.9036 5.9036 6.0937 6.0937 6.3150 6.3150 7.2622 7.2622 7.7175 7.7175 11.7640 11.7640 11.9323 11.9323 12.3364 12.3364 13.0273 13.0273 13.9429 13.9429 k = 0.7208 0.1944-0.1199 ( 3792 PWs) bands (ev): -13.4706 -13.4706 -13.3477 -13.3477 -5.9846 -5.9846 -3.4823 -3.4823 -2.9223 -2.9223 -2.7040 -2.7040 -0.9938 -0.9938 -0.3618 -0.3618 -0.1491 -0.1491 0.3049 0.3049 1.1884 1.1884 1.5762 1.5762 2.8936 2.8936 3.0824 3.0824 3.3245 3.3245 3.8252 3.8252 3.9402 3.9402 4.4896 4.4896 5.3886 5.3886 5.9229 5.9229 6.0247 6.0247 6.3831 6.3831 7.3122 7.3122 7.7161 7.7161 11.7399 11.7399 11.9193 11.9193 12.2762 12.2762 12.9706 12.9706 13.9138 13.9138 k = 0.7123 0.1987-0.1067 ( 3790 PWs) bands (ev): -13.4784 -13.4784 -13.3398 -13.3398 -5.9647 -5.9647 -3.4882 -3.4882 -2.9274 -2.9274 -2.7371 -2.7371 -0.9498 -0.9498 -0.4204 -0.4204 -0.2324 -0.2324 0.3235 0.3235 1.2070 1.2070 1.6397 1.6397 2.9573 2.9573 3.0177 3.0177 3.3708 3.3708 3.8558 3.8558 3.9470 3.9470 4.4920 4.4920 5.3495 5.3495 5.9497 5.9497 5.9518 5.9518 6.4526 6.4526 7.3660 7.3660 7.7118 7.7118 11.7082 11.7082 11.9096 11.9096 12.2225 12.2225 12.9156 12.9156 13.8877 13.8877 k = 0.7038 0.2030-0.0936 ( 3788 PWs) bands (ev): -13.4860 -13.4860 -13.3320 -13.3320 -5.9443 -5.9443 -3.4926 -3.4926 -2.9320 -2.9320 -2.7683 -2.7683 -0.9054 -0.9054 -0.4845 -0.4845 -0.3149 -0.3149 0.3421 0.3421 1.2294 1.2294 1.7008 1.7008 2.9548 2.9548 3.0256 3.0256 3.4177 3.4177 3.8869 3.8869 3.9489 3.9489 4.4947 4.4947 5.3047 5.3047 5.8759 5.8759 5.9828 5.9828 6.5219 6.5219 7.4232 7.4232 7.7047 7.7047 11.6672 11.6672 11.9031 11.9031 12.1772 12.1772 12.8624 12.8624 13.8646 13.8646 k = 0.6953 0.2074-0.0804 ( 3784 PWs) bands (ev): -13.4936 -13.4936 -13.3244 -13.3244 -5.9234 -5.9234 -3.4957 -3.4957 -2.9358 -2.9358 -2.7973 -2.7973 -0.8626 -0.8626 -0.5534 -0.5534 -0.3941 -0.3941 0.3602 0.3602 1.2560 1.2560 1.7587 1.7587 2.8946 2.8946 3.0975 3.0975 3.4650 3.4650 3.9182 3.9182 3.9465 3.9465 4.4977 4.4977 5.2561 5.2561 5.7979 5.7979 6.0205 6.0205 6.5901 6.5901 7.4837 7.4837 7.6951 7.6951 11.6161 11.6161 11.8998 11.8998 12.1411 12.1411 12.8116 12.8116 13.8443 13.8443 k = 0.6868 0.2117-0.0673 ( 3782 PWs) bands (ev): -13.5010 -13.5010 -13.3169 -13.3169 -5.9023 -5.9023 -3.4977 -3.4977 -2.9386 -2.9386 -2.8238 -2.8238 -0.8268 -0.8268 -0.6264 -0.6264 -0.4649 -0.4649 0.3775 0.3775 1.2872 1.2872 1.8125 1.8125 2.8376 2.8376 3.1721 3.1721 3.5125 3.5125 3.9398 3.9398 3.9497 3.9497 4.5007 4.5007 5.2049 5.2049 5.7182 5.7182 6.0616 6.0616 6.6564 6.6564 7.5473 7.5473 7.6833 7.6833 11.5554 11.5554 11.8994 11.8994 12.1139 12.1139 12.7633 12.7633 13.8269 13.8269 k = 0.6783 0.2160-0.0541 ( 3784 PWs) bands (ev): -13.5083 -13.5083 -13.3095 -13.3095 -5.8809 -5.8809 -3.4986 -3.4986 -2.9401 -2.9401 -2.8475 -2.8475 -0.8092 -0.8092 -0.7028 -0.7028 -0.5158 -0.5158 0.3939 0.3939 1.3231 1.3231 1.8612 1.8612 2.7845 2.7845 3.2485 3.2485 3.5601 3.5601 3.9296 3.9296 3.9808 3.9808 4.5038 4.5038 5.1522 5.1522 5.6373 5.6373 6.1055 6.1055 6.7203 6.7203 7.6135 7.6135 7.6694 7.6694 11.4867 11.4867 11.9017 11.9017 12.0939 12.0939 12.7179 12.7179 13.8121 13.8121 k = 0.6698 0.2203-0.0410 ( 3778 PWs) bands (ev): -13.5154 -13.5154 -13.3024 -13.3024 -5.8594 -5.8594 -3.4989 -3.4989 -2.9401 -2.9401 -2.8682 -2.8682 -0.8263 -0.8263 -0.7820 -0.7820 -0.5304 -0.5304 0.4090 0.4090 1.3637 1.3637 1.9034 1.9034 2.7364 2.7364 3.3261 3.3261 3.6076 3.6076 3.9159 3.9159 4.0116 4.0116 4.5067 4.5067 5.0990 5.0990 5.5556 5.5556 6.1515 6.1515 6.7816 6.7816 7.6537 7.6537 7.6818 7.6818 11.4120 11.4120 11.9064 11.9064 12.0793 12.0793 12.6758 12.6758 13.7998 13.7998 k = 0.6613 0.2246-0.0278 ( 3766 PWs) bands (ev): -13.5222 -13.5222 -13.2954 -13.2954 -5.8379 -5.8379 -3.4986 -3.4986 -2.9384 -2.9384 -2.8854 -2.8854 -0.8788 -0.8788 -0.8632 -0.8632 -0.5080 -0.5080 0.4230 0.4230 1.4089 1.4089 1.9377 1.9377 2.6944 2.6944 3.4041 3.4041 3.6547 3.6547 3.8990 3.8990 4.0419 4.0419 4.5095 4.5095 5.0460 5.0460 5.4738 5.4738 6.1991 6.1991 6.8398 6.8398 7.6366 7.6366 7.7518 7.7518 11.3334 11.3334 11.9129 11.9129 12.0683 12.0683 12.6374 12.6374 13.7898 13.7898 k = 0.6528 0.2289-0.0147 ( 3764 PWs) bands (ev): -13.5289 -13.5289 -13.2887 -13.2887 -5.8165 -5.8165 -3.4982 -3.4982 -2.9347 -2.9347 -2.8988 -2.8988 -0.9517 -0.9517 -0.9457 -0.9457 -0.4639 -0.4639 0.4356 0.4356 1.4586 1.4586 1.9625 1.9625 2.6595 2.6595 3.4819 3.4819 3.7015 3.7015 3.8790 3.8790 4.0715 4.0715 4.5119 4.5119 4.9939 4.9939 5.3923 5.3923 6.2478 6.2478 6.8950 6.8950 7.6182 7.6182 7.8226 7.8226 11.2525 11.2525 11.9208 11.9208 12.0594 12.0594 12.6031 12.6031 13.7818 13.7818 k = 0.6443 0.2333-0.0015 ( 3762 PWs) bands (ev): -13.5353 -13.5353 -13.2823 -13.2823 -5.7953 -5.7953 -3.4979 -3.4979 -2.9289 -2.9289 -2.9081 -2.9081 -1.0336 -1.0336 -1.0293 -1.0293 -0.4092 -0.4092 0.4469 0.4469 1.5125 1.5125 1.9764 1.9764 2.6329 2.6329 3.5587 3.5587 3.7477 3.7477 3.8562 3.8562 4.1004 4.1004 4.5139 4.5139 4.9431 4.9431 5.3117 5.3117 6.2973 6.2973 6.9469 6.9469 7.5988 7.5988 7.8938 7.8938 11.1707 11.1707 11.9293 11.9293 12.0516 12.0516 12.5736 12.5736 13.7757 13.7757 k = 0.6359 0.2376 0.0116 ( 3756 PWs) bands (ev): -13.5415 -13.5415 -13.2761 -13.2761 -5.7745 -5.7745 -3.4979 -3.4979 -2.9208 -2.9208 -2.9129 -2.9129 -1.1185 -1.1185 -1.1144 -1.1144 -0.3488 -0.3488 0.4570 0.4570 1.5704 1.5704 1.9785 1.9785 2.6152 2.6152 3.6336 3.6336 3.7933 3.7933 3.8311 3.8311 4.1284 4.1284 4.5154 4.5154 4.8941 4.8941 5.2326 5.2326 6.3472 6.3472 6.9956 6.9956 7.5787 7.5787 7.9647 7.9647 11.0891 11.0891 11.9377 11.9377 12.0440 12.0440 12.5494 12.5494 13.7712 13.7712 k = 0.6274 0.2419 0.0248 ( 3758 PWs) bands (ev): -13.5474 -13.5474 -13.2701 -13.2701 -5.7542 -5.7542 -3.4985 -3.4985 -2.9134 -2.9134 -2.9099 -2.9099 -1.2045 -1.2045 -1.2003 -1.2003 -0.2851 -0.2851 0.4660 0.4660 1.6320 1.6320 1.9689 1.9689 2.6059 2.6059 3.7034 3.7034 3.8059 3.8059 3.8381 3.8381 4.1554 4.1554 4.5163 4.5163 4.8473 4.8473 5.1558 5.1558 6.3970 6.3970 7.0410 7.0410 7.5583 7.5583 8.0345 8.0345 11.0085 11.0085 11.9453 11.9453 12.0363 12.0363 12.5308 12.5308 13.7679 13.7679 k = 0.6189 0.2462 0.0380 ( 3764 PWs) bands (ev): -13.5530 -13.5530 -13.2645 -13.2645 -5.7345 -5.7345 -3.4998 -3.4998 -2.9086 -2.9086 -2.8968 -2.8968 -1.2911 -1.2911 -1.2862 -1.2862 -0.2192 -0.2192 0.4740 0.4740 1.6970 1.6970 1.9486 1.9486 2.6039 2.6039 3.7418 3.7418 3.8066 3.8066 3.8819 3.8819 4.1813 4.1813 4.5164 4.5164 4.8030 4.8030 5.0819 5.0819 6.4465 6.4465 7.0833 7.0833 7.5376 7.5376 8.1026 8.1026 10.9298 10.9298 11.9513 11.9513 12.0279 12.0279 12.5183 12.5183 13.7656 13.7656 k = 0.6104 0.2505 0.0511 ( 3772 PWs) bands (ev): -13.5582 -13.5582 -13.2592 -13.2592 -5.7155 -5.7155 -3.5019 -3.5019 -2.8991 -2.8991 -2.8809 -2.8809 -1.3775 -1.3775 -1.3715 -1.3715 -0.1520 -0.1520 0.4809 0.4809 1.7650 1.7650 1.9195 1.9195 2.6072 2.6072 3.7184 3.7184 3.8629 3.8629 3.9249 3.9249 4.2060 4.2060 4.5158 4.5158 4.7614 4.7614 5.0117 5.0117 6.4952 6.4952 7.1225 7.1225 7.5171 7.5171 8.1684 8.1684 10.8536 10.8536 11.9553 11.9553 12.0189 12.0189 12.5121 12.5121 13.7641 13.7641 k = 0.6019 0.2549 0.0643 ( 3770 PWs) bands (ev): -13.5632 -13.5632 -13.2542 -13.2542 -5.6973 -5.6973 -3.5047 -3.5047 -2.8846 -2.8846 -2.8621 -2.8621 -1.4634 -1.4634 -1.4560 -1.4560 -0.0839 -0.0839 0.4870 0.4870 1.8358 1.8358 1.8833 1.8833 2.6140 2.6140 3.6799 3.6799 3.9273 3.9273 3.9668 3.9668 4.2295 4.2295 4.5141 4.5141 4.7225 4.7225 4.9460 4.9460 6.5427 6.5427 7.1585 7.1585 7.4970 7.4970 8.2314 8.2314 10.7806 10.7806 11.9570 11.9570 12.0093 12.0093 12.5119 12.5119 13.7631 13.7631 k = 0.5934 0.2592 0.0774 ( 3768 PWs) bands (ev): -13.5678 -13.5678 -13.2496 -13.2496 -5.6802 -5.6802 -3.5082 -3.5082 -2.8653 -2.8653 -2.8403 -2.8403 -1.5481 -1.5481 -1.5397 -1.5397 -0.0157 -0.0157 0.4924 0.4924 1.8417 1.8417 1.9092 1.9092 2.6227 2.6227 3.6355 3.6355 3.9896 3.9896 4.0081 4.0081 4.2515 4.2515 4.5114 4.5114 4.6864 4.6864 4.8854 4.8854 6.5886 6.5886 7.1915 7.1915 7.4775 7.4775 8.2911 8.2911 10.7113 10.7113 11.9564 11.9564 11.9990 11.9990 12.5172 12.5172 13.7625 13.7625 k = 0.5849 0.2635 0.0906 ( 3762 PWs) bands (ev): -13.5721 -13.5721 -13.2454 -13.2454 -5.6641 -5.6641 -3.5123 -3.5123 -2.8415 -2.8415 -2.8156 -2.8156 -1.6315 -1.6315 -1.6221 -1.6221 0.0523 0.0523 0.4970 0.4970 1.7966 1.7966 1.9846 1.9846 2.6318 2.6318 3.5863 3.5863 4.0434 4.0434 4.0535 4.0535 4.2720 4.2720 4.5074 4.5074 4.6529 4.6529 4.8307 4.8307 6.6325 6.6325 7.2214 7.2214 7.4589 7.4589 8.3470 8.3470 10.6461 10.6461 11.9538 11.9538 11.9883 11.9883 12.5271 12.5271 13.7621 13.7621 k = 0.5764 0.2678 0.1037 ( 3766 PWs) bands (ev): -13.5760 -13.5760 -13.2415 -13.2415 -5.6492 -5.6492 -3.5167 -3.5167 -2.8133 -2.8133 -2.7878 -2.7878 -1.7131 -1.7131 -1.7031 -1.7031 0.1194 0.1194 0.5010 0.5010 1.7491 1.7491 2.0618 2.0618 2.6406 2.6406 3.5325 3.5325 4.0833 4.0833 4.1077 4.1077 4.2909 4.2909 4.5019 4.5019 4.6219 4.6219 4.7824 4.7824 6.6739 6.6739 7.2483 7.2483 7.4414 7.4414 8.3986 8.3986 10.5855 10.5855 11.9497 11.9497 11.9774 11.9774 12.5407 12.5407 13.7617 13.7617 k = 0.5679 0.2721 0.1169 ( 3758 PWs) bands (ev): -13.5795 -13.5795 -13.2379 -13.2379 -5.6356 -5.6356 -3.5212 -3.5212 -2.7809 -2.7809 -2.7570 -2.7570 -1.7928 -1.7928 -1.7824 -1.7824 0.1851 0.1851 0.5045 0.5045 1.7003 1.7003 2.1405 2.1405 2.6485 2.6485 3.4745 3.4745 4.1203 4.1203 4.1592 4.1592 4.3081 4.3081 4.4949 4.4949 4.5932 4.5932 4.7409 4.7409 6.7124 6.7124 7.2723 7.2723 7.4253 7.4253 8.4457 8.4457 10.5300 10.5300 11.9446 11.9446 11.9665 11.9665 12.5567 12.5567 13.7613 13.7613 k = 0.5594 0.2764 0.1300 ( 3758 PWs) bands (ev): -13.5826 -13.5826 -13.2348 -13.2348 -5.6234 -5.6234 -3.5257 -3.5257 -2.7448 -2.7448 -2.7233 -2.7233 -1.8702 -1.8702 -1.8597 -1.8597 0.2485 0.2485 0.5074 0.5074 1.6515 1.6515 2.2202 2.2202 2.6553 2.6553 3.4126 3.4126 4.1556 4.1556 4.2062 4.2062 4.3236 4.3236 4.4864 4.4864 4.5664 4.5664 4.7063 4.7063 6.7476 6.7476 7.2933 7.2933 7.4106 7.4106 8.4879 8.4879 10.4799 10.4799 11.9390 11.9390 11.9560 11.9560 12.5740 12.5740 13.7609 13.7609 k = 0.5509 0.2808 0.1432 ( 3762 PWs) bands (ev): -13.5853 -13.5853 -13.2321 -13.2321 -5.6126 -5.6126 -3.5300 -3.5300 -2.7053 -2.7053 -2.6867 -2.6867 -1.9450 -1.9450 -1.9348 -1.9348 0.3086 0.3086 0.5099 0.5099 1.6038 1.6038 2.3003 2.3003 2.6609 2.6609 3.3474 3.3474 4.1891 4.1891 4.2483 4.2483 4.3371 4.3371 4.4768 4.4768 4.5413 4.5413 4.6783 4.6783 6.7790 6.7790 7.3114 7.3114 7.3977 7.3977 8.5250 8.5250 10.4357 10.4357 11.9334 11.9334 11.9461 11.9461 12.5914 12.5914 13.7605 13.7605 k = 0.5425 0.2851 0.1563 ( 3762 PWs) bands (ev): -13.5877 -13.5877 -13.2298 -13.2298 -5.6034 -5.6034 -3.5339 -3.5339 -2.6630 -2.6630 -2.6476 -2.6476 -2.0167 -2.0167 -2.0071 -2.0071 0.3643 0.3643 0.5119 0.5119 1.5584 1.5584 2.3802 2.3802 2.6652 2.6652 3.2798 3.2798 4.2208 4.2208 4.2851 4.2851 4.3488 4.3488 4.4668 4.4668 4.5177 4.5177 4.6563 4.6563 6.8062 6.8062 7.3267 7.3267 7.3866 7.3866 8.5567 8.5567 10.3977 10.3977 11.9281 11.9281 11.9372 11.9372 12.6080 12.6080 13.7601 13.7601 k = 0.5340 0.2894 0.1695 ( 3762 PWs) bands (ev): -13.5896 -13.5896 -13.2279 -13.2279 -5.5957 -5.5957 -3.5372 -3.5372 -2.6184 -2.6184 -2.6066 -2.6066 -2.0848 -2.0848 -2.0761 -2.0761 0.4140 0.4140 0.5137 0.5137 1.5171 1.5171 2.4586 2.4586 2.6685 2.6685 3.2109 3.2109 4.2503 4.2503 4.3162 4.3162 4.3585 4.3585 4.4571 4.4571 4.4954 4.4954 4.6394 4.6394 6.8289 6.8289 7.3391 7.3391 7.3775 7.3775 8.5829 8.5829 10.3661 10.3661 11.9235 11.9235 11.9294 11.9294 12.6228 12.6228 13.7596 13.7596 k = 0.5255 0.2937 0.1826 ( 3766 PWs) bands (ev): -13.5911 -13.5911 -13.2264 -13.2264 -5.5898 -5.5898 -3.5400 -3.5400 -2.5728 -2.5728 -2.5647 -2.5647 -2.1481 -2.1481 -2.1403 -2.1403 0.4557 0.4557 0.5152 0.5152 1.4816 1.4816 2.5337 2.5337 2.6709 2.6709 3.1431 3.1431 4.2770 4.2770 4.3410 4.3410 4.3663 4.3663 4.4487 4.4487 4.4746 4.4746 4.6268 4.6268 6.8469 6.8469 7.3487 7.3487 7.3703 7.3703 8.6034 8.6034 10.3413 10.3413 11.9197 11.9197 11.9231 11.9231 12.6351 12.6351 13.7592 13.7592 k = 0.5170 0.2980 0.1958 ( 3780 PWs) bands (ev): -13.5921 -13.5921 -13.2253 -13.2253 -5.5854 -5.5854 -3.5420 -3.5420 -2.5289 -2.5289 -2.5242 -2.5242 -2.2044 -2.2044 -2.1970 -2.1970 0.4872 0.4872 0.5168 0.5168 1.4541 1.4541 2.6013 2.6013 2.6725 2.6725 3.0805 3.0805 4.2999 4.2999 4.3588 4.3588 4.3725 4.3725 4.4421 4.4421 4.4561 4.4561 4.6180 4.6180 6.8599 6.8599 7.3556 7.3556 7.3652 7.3652 8.6182 8.6182 10.3234 10.3234 11.9169 11.9169 11.9185 11.9185 12.6444 12.6444 13.7589 13.7589 k = 0.5085 0.3024 0.2089 ( 3776 PWs) bands (ev): -13.5928 -13.5928 -13.2247 -13.2247 -5.5829 -5.5829 -3.5432 -3.5432 -2.4932 -2.4932 -2.4907 -2.4907 -2.2477 -2.2477 -2.2400 -2.2400 0.5051 0.5051 0.5198 0.5198 1.4365 1.4365 2.6530 2.6530 2.6734 2.6734 3.0317 3.0317 4.3164 4.3164 4.3688 4.3688 4.3774 4.3774 4.4379 4.4379 4.4421 4.4421 4.6128 4.6128 6.8678 6.8678 7.3597 7.3597 7.3621 7.3621 8.6270 8.6270 10.3126 10.3126 11.9151 11.9151 11.9157 11.9157 12.6501 12.6501 13.7587 13.7587 k = 0.5000 0.3067 0.2221 ( 3772 PWs) bands (ev): -13.5930 -13.5930 -13.2244 -13.2244 -5.5820 -5.5820 -3.5436 -3.5436 -2.4786 -2.4786 -2.4760 -2.4760 -2.2656 -2.2656 -2.2572 -2.2572 0.5095 0.5095 0.5225 0.5225 1.4305 1.4305 2.6736 2.6736 2.6737 2.6737 3.0120 3.0120 4.3227 4.3227 4.3716 4.3716 4.3797 4.3797 4.4364 4.4364 4.4366 4.4366 4.6111 4.6111 6.8704 6.8704 7.3609 7.3609 7.3612 7.3612 8.6300 8.6300 10.3090 10.3090 11.9144 11.9144 11.9149 11.9149 12.6520 12.6520 13.7587 13.7587 k = 0.5000 0.3067 0.2221 ( 3772 PWs) bands (ev): -13.5930 -13.5930 -13.2244 -13.2244 -5.5820 -5.5820 -3.5436 -3.5436 -2.4786 -2.4786 -2.4760 -2.4760 -2.2656 -2.2656 -2.2572 -2.2572 0.5095 0.5095 0.5225 0.5225 1.4305 1.4305 2.6736 2.6736 2.6737 2.6737 3.0120 3.0120 4.3227 4.3227 4.3716 4.3716 4.3797 4.3797 4.4364 4.4364 4.4366 4.4366 4.6111 4.6111 6.8704 6.8704 7.3609 7.3609 7.3612 7.3612 8.6300 8.6300 10.3090 10.3090 11.9144 11.9144 11.9149 11.9149 12.6520 12.6520 13.7587 13.7587 k = 0.4872 0.2988 0.2164 ( 3772 PWs) bands (ev): -13.5932 -13.5932 -13.2243 -13.2243 -5.5832 -5.5832 -3.5407 -3.5407 -2.4790 -2.4790 -2.4763 -2.4763 -2.2646 -2.2646 -2.2562 -2.2562 0.5093 0.5093 0.5224 0.5224 1.4297 1.4297 2.6685 2.6685 2.6686 2.6686 3.0136 3.0136 4.3176 4.3176 4.3686 4.3686 4.3763 4.3763 4.4463 4.4463 4.4464 4.4464 4.6110 4.6110 6.8696 6.8696 7.3566 7.3566 7.3569 7.3569 8.6254 8.6254 10.3134 10.3134 11.9195 11.9195 11.9199 11.9199 12.6552 12.6552 13.7544 13.7544 k = 0.4744 0.2909 0.2107 ( 3766 PWs) bands (ev): -13.5937 -13.5937 -13.2238 -13.2238 -5.5869 -5.5869 -3.5318 -3.5318 -2.4799 -2.4799 -2.4772 -2.4772 -2.2617 -2.2617 -2.2534 -2.2534 0.5089 0.5089 0.5220 0.5220 1.4273 1.4273 2.6536 2.6536 2.6537 2.6537 3.0182 3.0182 4.3023 4.3023 4.3627 4.3627 4.3703 4.3703 4.4718 4.4718 4.4724 4.4724 4.6106 4.6106 6.8671 6.8671 7.3438 7.3438 7.3440 7.3440 8.6116 8.6116 10.3264 10.3264 11.9346 11.9346 11.9350 11.9350 12.6648 12.6648 13.7442 13.7442 k = 0.4615 0.2831 0.2050 ( 3776 PWs) bands (ev): -13.5946 -13.5946 -13.2231 -13.2231 -5.5929 -5.5929 -3.5170 -3.5170 -2.4814 -2.4814 -2.4786 -2.4786 -2.2570 -2.2570 -2.2487 -2.2487 0.5083 0.5083 0.5213 0.5213 1.4234 1.4234 2.6294 2.6294 2.6294 2.6294 3.0258 3.0258 4.2773 4.2773 4.3575 4.3575 4.3652 4.3652 4.5092 4.5092 4.5099 4.5099 4.6095 4.6095 6.8631 6.8631 7.3226 7.3226 7.3229 7.3229 8.5890 8.5890 10.3478 10.3478 11.9594 11.9594 11.9598 11.9598 12.6808 12.6808 13.7328 13.7328 k = 0.4487 0.2752 0.1993 ( 3776 PWs) bands (ev): -13.5958 -13.5958 -13.2220 -13.2220 -5.6012 -5.6012 -3.4966 -3.4966 -2.4832 -2.4832 -2.4804 -2.4804 -2.2506 -2.2506 -2.2424 -2.2424 0.5073 0.5073 0.5203 0.5203 1.4180 1.4180 2.5969 2.5969 2.5969 2.5969 3.0361 3.0361 4.2434 4.2434 4.3538 4.3538 4.3617 4.3617 4.5565 4.5565 4.5573 4.5573 4.6073 4.6073 6.8575 6.8575 7.2936 7.2936 7.2938 7.2938 8.5580 8.5580 10.3774 10.3774 11.9936 11.9936 11.9940 11.9940 12.7030 12.7030 13.7235 13.7235 k = 0.4359 0.2674 0.1936 ( 3794 PWs) bands (ev): -13.5974 -13.5974 -13.2207 -13.2207 -5.6116 -5.6116 -3.4706 -3.4706 -2.4854 -2.4854 -2.4825 -2.4825 -2.2428 -2.2428 -2.2346 -2.2346 0.5062 0.5062 0.5191 0.5191 1.4115 1.4115 2.5574 2.5574 2.5574 2.5574 3.0486 3.0486 4.2015 4.2015 4.3516 4.3516 4.3597 4.3597 4.6033 4.6033 4.6129 4.6129 4.6134 4.6134 6.8504 6.8504 7.2571 7.2571 7.2572 7.2572 8.5192 8.5192 10.4149 10.4149 12.0365 12.0365 12.0369 12.0369 12.7316 12.7316 13.7183 13.7183 k = 0.4231 0.2595 0.1879 ( 3767 PWs) bands (ev): -13.5993 -13.5993 -13.2191 -13.2191 -5.6239 -5.6239 -3.4393 -3.4393 -2.4876 -2.4876 -2.4845 -2.4845 -2.2336 -2.2336 -2.2255 -2.2255 0.5048 0.5048 0.5177 0.5177 1.4038 1.4038 2.5121 2.5121 2.5121 2.5121 3.0631 3.0631 4.1524 4.1524 4.3506 4.3506 4.3589 4.3589 4.5980 4.5980 4.6769 4.6769 4.6774 4.6774 6.8419 6.8419 7.2137 7.2137 7.2138 7.2138 8.4734 8.4734 10.4597 10.4597 12.0877 12.0877 12.0880 12.0880 12.7663 12.7663 13.7178 13.7178 k = 0.4103 0.2516 0.1822 ( 3779 PWs) bands (ev): -13.6015 -13.6015 -13.2172 -13.2172 -5.6379 -5.6379 -3.4029 -3.4029 -2.4897 -2.4897 -2.4866 -2.4866 -2.2234 -2.2234 -2.2154 -2.2154 0.5033 0.5033 0.5161 0.5161 1.3952 1.3952 2.4620 2.4620 2.4621 2.4621 3.0789 3.0789 4.0968 4.0968 4.3505 4.3505 4.3588 4.3588 4.5910 4.5910 4.7477 4.7477 4.7482 4.7482 6.8320 6.8320 7.1642 7.1642 7.1643 7.1643 8.4213 8.4213 10.5115 10.5115 12.1463 12.1463 12.1466 12.1466 12.8071 12.8071 13.7221 13.7221 k = 0.3974 0.2438 0.1765 ( 3785 PWs) bands (ev): -13.6039 -13.6039 -13.2152 -13.2152 -5.6534 -5.6534 -3.3616 -3.3616 -2.4916 -2.4916 -2.4884 -2.4884 -2.2124 -2.2124 -2.2044 -2.2044 0.5016 0.5016 0.5144 0.5144 1.3858 1.3858 2.4084 2.4084 2.4086 2.4086 3.0954 3.0954 4.0353 4.0353 4.3511 4.3511 4.3595 4.3595 4.5829 4.5829 4.8244 4.8244 4.8248 4.8248 6.8208 6.8208 7.1092 7.1092 7.1093 7.1093 8.3636 8.3636 10.5698 10.5698 12.2115 12.2115 12.2118 12.2118 12.8539 12.8539 13.7314 13.7314 k = 0.3846 0.2359 0.1708 ( 3776 PWs) bands (ev): -13.6066 -13.6066 -13.2129 -13.2129 -5.6701 -5.6701 -3.3158 -3.3158 -2.4932 -2.4932 -2.4899 -2.4899 -2.2006 -2.2006 -2.1927 -2.1927 0.4998 0.4998 0.5125 0.5125 1.3760 1.3760 2.3522 2.3522 2.3524 2.3524 3.1118 3.1118 3.9684 3.9684 4.3524 4.3524 4.3608 4.3608 4.5741 4.5741 4.9060 4.9060 4.9063 4.9063 6.8085 6.8085 7.0494 7.0494 7.0496 7.0496 8.3011 8.3011 10.6341 10.6341 12.2826 12.2826 12.2828 12.2828 12.9066 12.9066 13.7452 13.7452 k = 0.3718 0.2280 0.1652 ( 3770 PWs) bands (ev): -13.6096 -13.6096 -13.2104 -13.2104 -5.6879 -5.6879 -3.2656 -3.2656 -2.4943 -2.4943 -2.4910 -2.4910 -2.1884 -2.1884 -2.1805 -2.1805 0.4980 0.4980 0.5106 0.5106 1.3657 1.3657 2.2941 2.2941 2.2944 2.2944 3.1275 3.1275 3.8968 3.8968 4.3541 4.3541 4.3625 4.3625 4.5654 4.5654 4.9916 4.9916 4.9918 4.9918 6.7952 6.7952 6.9856 6.9856 6.9859 6.9859 8.2345 8.2345 10.7038 10.7038 12.3587 12.3587 12.3589 12.3589 12.9651 12.9651 13.7633 13.7633 k = 0.3590 0.2202 0.1595 ( 3776 PWs) bands (ev): -13.6127 -13.6127 -13.2078 -13.2078 -5.7064 -5.7064 -3.2114 -3.2114 -2.4949 -2.4949 -2.4915 -2.4915 -2.1758 -2.1758 -2.1679 -2.1679 0.4962 0.4962 0.5087 0.5087 1.3553 1.3553 2.2349 2.2349 2.2353 2.2353 3.1415 3.1415 3.8208 3.8208 4.3563 4.3563 4.3646 4.3646 4.5576 4.5576 5.0804 5.0804 5.0806 5.0806 6.7809 6.7809 6.9185 6.9185 6.9189 6.9189 8.1644 8.1644 10.7784 10.7784 12.4390 12.4390 12.4392 12.4392 13.0292 13.0292 13.7853 13.7853 k = 0.3462 0.2123 0.1538 ( 3776 PWs) bands (ev): -13.6160 -13.6160 -13.2050 -13.2050 -5.7256 -5.7256 -3.1535 -3.1535 -2.4949 -2.4949 -2.4915 -2.4915 -2.1631 -2.1631 -2.1552 -2.1552 0.4944 0.4944 0.5068 0.5068 1.3449 1.3449 2.1750 2.1750 2.1755 2.1755 3.1528 3.1528 3.7412 3.7412 4.3589 4.3589 4.3671 4.3671 4.5514 4.5514 5.1717 5.1717 5.1719 5.1719 6.7659 6.7659 6.8490 6.8490 6.8494 6.8494 8.0916 8.0916 10.8575 10.8575 12.5227 12.5227 12.5229 12.5229 13.0987 13.0987 13.8110 13.8110 k = 0.3333 0.2044 0.1481 ( 3776 PWs) bands (ev): -13.6194 -13.6194 -13.2022 -13.2022 -5.7453 -5.7453 -3.0920 -3.0920 -2.4943 -2.4943 -2.4908 -2.4908 -2.1503 -2.1503 -2.1424 -2.1424 0.4927 0.4927 0.5051 0.5051 1.3345 1.3345 2.1150 2.1150 2.1156 2.1156 3.1604 3.1604 3.6586 3.6586 4.3619 4.3619 4.3700 4.3700 4.5479 4.5479 5.2648 5.2648 5.2649 5.2649 6.7501 6.7501 6.7776 6.7776 6.7782 6.7782 8.0164 8.0164 10.9404 10.9404 12.6091 12.6091 12.6092 12.6092 13.1737 13.1737 13.8400 13.8400 k = 0.3205 0.1966 0.1424 ( 3782 PWs) bands (ev): -13.6229 -13.6229 -13.1992 -13.1992 -5.7651 -5.7651 -3.0272 -3.0272 -2.4930 -2.4930 -2.4895 -2.4895 -2.1376 -2.1376 -2.1297 -2.1297 0.4913 0.4913 0.5035 0.5035 1.3243 1.3243 2.0553 2.0553 2.0560 2.0560 3.1633 3.1633 3.5736 3.5736 4.3653 4.3653 4.3732 4.3732 4.5480 4.5480 5.3589 5.3589 5.3590 5.3590 6.7052 6.7052 6.7059 6.7059 6.7338 6.7338 7.9393 7.9393 11.0268 11.0268 12.6974 12.6974 12.6974 12.6974 13.2538 13.2538 13.8719 13.8719 k = 0.3077 0.1887 0.1367 ( 3776 PWs) bands (ev): -13.6266 -13.6266 -13.1962 -13.1962 -5.7851 -5.7851 -2.9594 -2.9594 -2.4911 -2.4911 -2.4874 -2.4874 -2.1251 -2.1251 -2.1172 -2.1172 0.4901 0.4901 0.5022 0.5022 1.3143 1.3143 1.9961 1.9961 1.9969 1.9969 3.1602 3.1602 3.4873 3.4873 4.3689 4.3689 4.3767 4.3767 4.5525 4.5525 5.4532 5.4532 5.4534 5.4534 6.6327 6.6327 6.6335 6.6335 6.7171 6.7171 7.8609 7.8609 11.1161 11.1161 12.7869 12.7869 12.7869 12.7869 13.3391 13.3391 13.9065 13.9065 k = 0.2949 0.1809 0.1310 ( 3776 PWs) bands (ev): -13.6303 -13.6303 -13.1931 -13.1931 -5.8050 -5.8050 -2.8888 -2.8888 -2.4884 -2.4884 -2.4847 -2.4847 -2.1130 -2.1130 -2.1051 -2.1051 0.4892 0.4892 0.5013 0.5013 1.3046 1.3046 1.9378 1.9378 1.9387 1.9387 3.1493 3.1493 3.4014 3.4014 4.3729 4.3729 4.3805 4.3805 4.5620 4.5620 5.5469 5.5469 5.5471 5.5471 6.5610 6.5610 6.5619 6.5619 6.7000 6.7000 7.7813 7.7813 11.2077 11.2077 12.8769 12.8769 12.8769 12.8769 13.4292 13.4292 13.9435 13.9435 k = 0.2821 0.1730 0.1253 ( 3776 PWs) bands (ev): -13.6340 -13.6340 -13.1900 -13.1900 -5.8247 -5.8247 -2.8157 -2.8157 -2.4850 -2.4850 -2.4813 -2.4813 -2.1013 -2.1013 -2.0934 -2.0934 0.4888 0.4888 0.5007 0.5007 1.2952 1.2952 1.8805 1.8805 1.8815 1.8815 3.1279 3.1279 3.3190 3.3190 4.3772 4.3772 4.3845 4.3845 4.5771 4.5771 5.6385 5.6385 5.6389 5.6389 6.4914 6.4914 6.4925 6.4925 6.6828 6.6828 7.7010 7.7010 11.3012 11.3012 12.9669 12.9669 12.9669 12.9669 13.5242 13.5242 13.9826 13.9826 k = 0.2692 0.1651 0.1196 ( 3788 PWs) bands (ev): -13.6378 -13.6378 -13.1869 -13.1869 -5.8441 -5.8441 -2.7402 -2.7402 -2.4808 -2.4808 -2.4771 -2.4771 -2.0903 -2.0903 -2.0823 -2.0823 0.4889 0.4889 0.5007 0.5007 1.2859 1.2859 1.8244 1.8244 1.8255 1.8255 3.0906 3.0906 3.2456 3.2456 4.3818 4.3818 4.3889 4.3889 4.5981 4.5981 5.7263 5.7263 5.7268 5.7268 6.4260 6.4260 6.4271 6.4271 6.6655 6.6655 7.6201 7.6201 11.3961 11.3961 13.0562 13.0562 13.0563 13.0563 13.6238 13.6238 14.0235 14.0235 k = 0.2564 0.1573 0.1139 ( 3782 PWs) bands (ev): -13.6415 -13.6415 -13.1839 -13.1839 -5.8631 -5.8631 -2.6628 -2.6628 -2.4760 -2.4760 -2.4723 -2.4723 -2.0799 -2.0799 -2.0719 -2.0719 0.4895 0.4895 0.5012 0.5012 1.2768 1.2768 1.7697 1.7697 1.7708 1.7708 3.0325 3.0325 3.1871 3.1871 4.3866 4.3866 4.3935 4.3935 4.6250 4.6250 5.8065 5.8065 5.8073 5.8073 6.3683 6.3683 6.3693 6.3693 6.6483 6.6483 7.5388 7.5388 11.4919 11.4919 13.1443 13.1443 13.1445 13.1445 13.7279 13.7279 14.0660 14.0660 k = 0.2436 0.1494 0.1082 ( 3779 PWs) bands (ev): -13.6452 -13.6452 -13.1808 -13.1808 -5.8815 -5.8815 -2.5835 -2.5835 -2.4705 -2.4705 -2.4668 -2.4668 -2.0703 -2.0703 -2.0623 -2.0623 0.4908 0.4908 0.5024 0.5024 1.2675 1.2675 1.7164 1.7164 1.7176 1.7176 2.9571 2.9571 3.1408 3.1408 4.3918 4.3918 4.3984 4.3984 4.6576 4.6576 5.8728 5.8728 5.8741 5.8741 6.3247 6.3247 6.3254 6.3254 6.6312 6.6312 7.4574 7.4574 11.5879 11.5879 13.2309 13.2309 13.2310 13.2310 13.8364 13.8364 14.1097 14.1097 k = 0.2308 0.1415 0.1025 ( 3791 PWs) bands (ev): -13.6488 -13.6488 -13.1778 -13.1778 -5.8994 -5.8994 -2.5027 -2.5027 -2.4644 -2.4644 -2.4606 -2.4606 -2.0616 -2.0616 -2.0535 -2.0535 0.4929 0.4929 0.5043 0.5043 1.2579 1.2579 1.6646 1.6646 1.6660 1.6660 2.8728 2.8728 3.0996 3.0996 4.3972 4.3972 4.4035 4.4035 4.6957 4.6957 5.9141 5.9141 5.9161 5.9161 6.3061 6.3061 6.3064 6.3064 6.6143 6.6143 7.3759 7.3759 11.6838 11.6838 13.3153 13.3153 13.3155 13.3155 13.9491 13.9491 14.1545 14.1545 k = 0.2179 0.1337 0.0968 ( 3785 PWs) bands (ev): -13.6524 -13.6524 -13.1749 -13.1749 -5.9166 -5.9166 -2.4577 -2.4577 -2.4539 -2.4539 -2.4206 -2.4206 -2.0537 -2.0537 -2.0456 -2.0456 0.4957 0.4957 0.5070 0.5070 1.2477 1.2477 1.6145 1.6145 1.6160 1.6160 2.7855 2.7855 3.0587 3.0587 4.4029 4.4029 4.4089 4.4089 4.7388 4.7388 5.9208 5.9208 5.9236 5.9236 6.3220 6.3220 6.3223 6.3223 6.5978 6.5978 7.2945 7.2945 11.7790 11.7790 13.3974 13.3974 13.3976 13.3976 14.0660 14.0660 14.2002 14.2002 k = 0.2051 0.1258 0.0911 ( 3791 PWs) bands (ev): -13.6559 -13.6559 -13.1721 -13.1721 -5.9331 -5.9331 -2.4504 -2.4504 -2.4466 -2.4466 -2.3376 -2.3376 -2.0469 -2.0469 -2.0387 -2.0387 0.4993 0.4993 0.5105 0.5105 1.2364 1.2364 1.5660 1.5660 1.5676 1.5676 2.6984 2.6984 3.0166 3.0166 4.4089 4.4089 4.4145 4.4145 4.7865 4.7865 5.8968 5.8968 5.9002 5.9002 6.3684 6.3684 6.3690 6.3690 6.5818 6.5818 7.2132 7.2132 11.8730 11.8730 13.4766 13.4766 13.4769 13.4769 14.1868 14.1868 14.2464 14.2464 k = 0.1923 0.1180 0.0854 ( 3785 PWs) bands (ev): -13.6592 -13.6592 -13.1694 -13.1694 -5.9488 -5.9488 -2.4426 -2.4426 -2.4388 -2.4388 -2.2539 -2.2539 -2.0410 -2.0410 -2.0328 -2.0328 0.5039 0.5039 0.5150 0.5150 1.2237 1.2237 1.5193 1.5193 1.5210 1.5210 2.6135 2.6135 2.9730 2.9730 4.4150 4.4150 4.4203 4.4203 4.8383 4.8383 5.8552 5.8552 5.8590 5.8590 6.4325 6.4325 6.4332 6.4332 6.5663 6.5663 7.1321 7.1321 11.9652 11.9652 13.5530 13.5530 13.5532 13.5532 14.2929 14.2929 14.3115 14.3115 k = 0.1795 0.1101 0.0797 ( 3791 PWs) bands (ev): -13.6624 -13.6624 -13.1668 -13.1668 -5.9637 -5.9637 -2.4345 -2.4345 -2.4306 -2.4306 -2.1701 -2.1701 -2.0362 -2.0362 -2.0279 -2.0279 0.5093 0.5093 0.5203 0.5203 1.2089 1.2089 1.4744 1.4744 1.4761 1.4761 2.5321 2.5321 2.9280 2.9280 4.4214 4.4214 4.4263 4.4263 4.8937 4.8937 5.8055 5.8055 5.8097 5.8097 6.5043 6.5043 6.5051 6.5051 6.5515 6.5515 7.0513 7.0513 12.0551 12.0551 13.6261 13.6261 13.6263 13.6263 14.3396 14.3396 14.4400 14.4400 k = 0.1667 0.1022 0.0740 ( 3791 PWs) bands (ev): -13.6655 -13.6655 -13.1643 -13.1643 -5.9777 -5.9777 -2.4259 -2.4259 -2.4221 -2.4221 -2.0864 -2.0864 -2.0323 -2.0323 -2.0240 -2.0240 0.5156 0.5156 0.5265 0.5265 1.1917 1.1917 1.4314 1.4314 1.4332 1.4332 2.4556 2.4556 2.8819 2.8819 4.4280 4.4280 4.4325 4.4325 4.9523 4.9523 5.7530 5.7530 5.7575 5.7575 6.5373 6.5373 6.5785 6.5785 6.5793 6.5793 6.9708 6.9708 12.1420 12.1420 13.6959 13.6959 13.6961 13.6961 14.3862 14.3862 14.5720 14.5720 k = 0.1538 0.0944 0.0683 ( 3791 PWs) bands (ev): -13.6684 -13.6684 -13.1620 -13.1620 -5.9908 -5.9908 -2.4172 -2.4172 -2.4134 -2.4134 -2.0295 -2.0295 -2.0211 -2.0211 -2.0034 -2.0034 0.5227 0.5227 0.5336 0.5336 1.1713 1.1713 1.3902 1.3902 1.3921 1.3921 2.3852 2.3852 2.8352 2.8352 4.4347 4.4347 4.4388 4.4388 5.0136 5.0136 5.7004 5.7004 5.7053 5.7053 6.5239 6.5239 6.6521 6.6521 6.6529 6.6529 6.8906 6.8906 12.2256 12.2256 13.7623 13.7623 13.7625 13.7625 14.4323 14.4323 14.7076 14.7076 k = 0.1410 0.0865 0.0626 ( 3791 PWs) bands (ev): -13.6711 -13.6711 -13.1598 -13.1598 -6.0030 -6.0030 -2.4083 -2.4083 -2.4045 -2.4045 -2.0276 -2.0276 -2.0192 -2.0192 -1.9216 -1.9216 0.5307 0.5307 0.5416 0.5416 1.1474 1.1474 1.3511 1.3511 1.3530 1.3530 2.3221 2.3221 2.7884 2.7884 4.4414 4.4414 4.4451 4.4451 5.0771 5.0771 5.6492 5.6492 5.6545 5.6545 6.5114 6.5114 6.7234 6.7234 6.7242 6.7242 6.8109 6.8109 12.3051 12.3051 13.8253 13.8253 13.8255 13.8255 14.4777 14.4777 14.8466 14.8466 k = 0.1282 0.0786 0.0569 ( 3794 PWs) bands (ev): -13.6736 -13.6736 -13.1577 -13.1577 -6.0142 -6.0142 -2.3993 -2.3993 -2.3956 -2.3956 -2.0266 -2.0266 -2.0181 -2.0181 -1.8417 -1.8417 0.5394 0.5394 0.5502 0.5502 1.1199 1.1199 1.3141 1.3141 1.3159 1.3159 2.2669 2.2669 2.7421 2.7421 4.4482 4.4482 4.4515 4.4515 5.1426 5.1426 5.6003 5.6003 5.6060 5.6060 6.4998 6.4998 6.7317 6.7317 6.7914 6.7914 6.7922 6.7922 12.3800 12.3800 13.8848 13.8848 13.8850 13.8850 14.5220 14.5220 14.9889 14.9889 k = 0.1154 0.0708 0.0513 ( 3788 PWs) bands (ev): -13.6759 -13.6759 -13.1559 -13.1559 -6.0243 -6.0243 -2.3905 -2.3905 -2.3868 -2.3868 -2.0263 -2.0263 -2.0178 -2.0178 -1.7644 -1.7644 0.5486 0.5486 0.5595 0.5595 1.0888 1.0888 1.2793 1.2793 1.2811 1.2811 2.2204 2.2204 2.6967 2.6967 4.4550 4.4550 4.4578 4.4578 5.2095 5.2095 5.5544 5.5544 5.5605 5.5605 6.4891 6.4891 6.6531 6.6531 6.8550 6.8550 6.8558 6.8558 12.4498 12.4498 13.9410 13.9410 13.9412 13.9412 14.5649 14.5649 15.0103 15.0103 k = 0.1026 0.0629 0.0456 ( 3788 PWs) bands (ev): -13.6780 -13.6780 -13.1542 -13.1542 -6.0335 -6.0335 -2.3819 -2.3819 -2.3782 -2.3782 -2.0267 -2.0267 -2.0181 -2.0181 -1.6905 -1.6905 0.5582 0.5582 0.5691 0.5691 1.0547 1.0547 1.2469 1.2469 1.2487 1.2487 2.1825 2.1825 2.6527 2.6527 4.4616 4.4616 4.4639 4.4639 5.2776 5.2776 5.5120 5.5120 5.5186 5.5186 6.4794 6.4794 6.5753 6.5753 6.9138 6.9138 6.9146 6.9146 12.5140 12.5140 13.9938 13.9938 13.9939 13.9939 14.6060 14.6060 14.9530 14.9530 k = 0.0897 0.0550 0.0399 ( 3767 PWs) bands (ev): -13.6799 -13.6799 -13.1527 -13.1527 -6.0416 -6.0416 -2.3738 -2.3738 -2.3701 -2.3701 -2.0277 -2.0277 -2.0190 -2.0190 -1.6210 -1.6210 0.5680 0.5680 0.5790 0.5790 1.0186 1.0186 1.2171 1.2171 1.2189 1.2189 2.1532 2.1532 2.6109 2.6109 4.4679 4.4679 4.4698 4.4698 5.3463 5.3463 5.4736 5.4736 5.4805 5.4805 6.4707 6.4707 6.4984 6.4984 6.9670 6.9670 6.9678 6.9678 12.5719 12.5719 14.0432 14.0432 14.0433 14.0433 14.6446 14.6446 14.8977 14.8977 k = 0.0769 0.0472 0.0342 ( 3770 PWs) bands (ev): -13.6815 -13.6815 -13.1514 -13.1514 -6.0487 -6.0487 -2.3662 -2.3662 -2.3625 -2.3625 -2.0290 -2.0290 -2.0203 -2.0203 -1.5570 -1.5570 0.5777 0.5777 0.5887 0.5887 0.9819 0.9819 1.1901 1.1901 1.1919 1.1919 2.1316 2.1316 2.5718 2.5718 4.4738 4.4738 4.4753 4.4753 5.4148 5.4148 5.4399 5.4399 5.4467 5.4467 6.4228 6.4228 6.4631 6.4631 7.0141 7.0141 7.0149 7.0149 12.6232 12.6232 14.0892 14.0892 14.0893 14.0893 14.6801 14.6801 14.8452 14.8452 k = 0.0641 0.0393 0.0285 ( 3770 PWs) bands (ev): -13.6829 -13.6829 -13.1502 -13.1502 -6.0547 -6.0547 -2.3593 -2.3593 -2.3557 -2.3557 -2.0305 -2.0305 -2.0217 -2.0217 -1.4997 -1.4997 0.5870 0.5870 0.5980 0.5980 0.9463 0.9463 1.1664 1.1664 1.1680 1.1680 2.1169 2.1169 2.5362 2.5362 4.4792 4.4792 4.4803 4.4803 5.4096 5.4096 5.4175 5.4175 5.4837 5.4837 6.3492 6.3492 6.4567 6.4567 7.0548 7.0548 7.0556 7.0556 12.6674 12.6674 14.1314 14.1314 14.1316 14.1316 14.7120 14.7120 14.7963 14.7963 k = 0.0513 0.0315 0.0228 ( 3761 PWs) bands (ev): -13.6841 -13.6841 -13.1493 -13.1493 -6.0596 -6.0596 -2.3534 -2.3534 -2.3498 -2.3498 -2.0320 -2.0320 -2.0232 -2.0232 -1.4504 -1.4504 0.5953 0.5953 0.6065 0.6065 0.9136 0.9136 1.1462 1.1462 1.1477 1.1477 2.1078 2.1078 2.5050 2.5050 4.4839 4.4839 4.4846 4.4846 5.3851 5.3851 5.3932 5.3932 5.5501 5.5501 6.2784 6.2784 6.4513 6.4513 7.0887 7.0887 7.0895 7.0895 12.7041 12.7041 14.1694 14.1694 14.1696 14.1696 14.7395 14.7395 14.7520 14.7520 k = 0.0385 0.0236 0.0171 ( 3767 PWs) bands (ev): -13.6850 -13.6850 -13.1486 -13.1486 -6.0634 -6.0634 -2.3486 -2.3486 -2.3450 -2.3450 -2.0334 -2.0334 -2.0246 -2.0246 -1.4103 -1.4103 0.6025 0.6025 0.6137 0.6137 0.8857 0.8857 1.1299 1.1299 1.1313 1.1313 2.1029 2.1029 2.4790 2.4790 4.4877 4.4877 4.4882 4.4882 5.3656 5.3656 5.3740 5.3740 5.6129 5.6129 6.2125 6.2125 6.4472 6.4472 7.1153 7.1153 7.1161 7.1161 12.7331 12.7331 14.2022 14.2022 14.2024 14.2024 14.7138 14.7138 14.7180 14.7180 k = 0.0256 0.0157 0.0114 ( 3773 PWs) bands (ev): -13.6856 -13.6856 -13.1481 -13.1481 -6.0662 -6.0662 -2.3451 -2.3451 -2.3415 -2.3415 -2.0346 -2.0346 -2.0257 -2.0257 -1.3806 -1.3806 0.6079 0.6079 0.6193 0.6193 0.8644 0.8644 1.1179 1.1179 1.1193 1.1193 2.1007 2.1007 2.4594 2.4594 4.4905 4.4905 4.4908 4.4908 5.3516 5.3516 5.3601 5.3601 5.6682 5.6682 6.1549 6.1549 6.4442 6.4442 7.1346 7.1346 7.1354 7.1354 12.7539 12.7539 14.2282 14.2282 14.2284 14.2284 14.6836 14.6836 14.6878 14.6878 k = 0.0128 0.0079 0.0057 ( 3767 PWs) bands (ev): -13.6860 -13.6860 -13.1477 -13.1477 -6.0678 -6.0678 -2.3429 -2.3429 -2.3393 -2.3393 -2.0353 -2.0353 -2.0264 -2.0264 -1.3624 -1.3624 0.6114 0.6114 0.6228 0.6228 0.8510 0.8510 1.1105 1.1105 1.1119 1.1119 2.1001 2.1001 2.4471 2.4471 4.4923 4.4923 4.4924 4.4924 5.3430 5.3430 5.3517 5.3517 5.7088 5.7088 6.1129 6.1129 6.4424 6.4424 7.1462 7.1462 7.1470 7.1470 12.7665 12.7665 14.2452 14.2452 14.2455 14.2455 14.6640 14.6640 14.6682 14.6682 k = 0.0000 0.0000 0.0000 ( 3767 PWs) bands (ev): -13.6861 -13.6861 -13.1476 -13.1476 -6.0684 -6.0684 -2.3421 -2.3421 -2.3386 -2.3386 -2.0356 -2.0356 -2.0267 -2.0267 -1.3562 -1.3562 0.6125 0.6125 0.6240 0.6240 0.8464 0.8464 1.1080 1.1080 1.1094 1.1094 2.1000 2.1000 2.4429 2.4429 4.4929 4.4929 4.4930 4.4930 5.3402 5.3402 5.3489 5.3489 5.7245 5.7245 6.0969 6.0969 6.4418 6.4418 7.1501 7.1501 7.1509 7.1509 12.7707 12.7707 14.2512 14.2512 14.2515 14.2515 14.6571 14.6571 14.6613 14.6613 k = 0.0000 0.0000 0.0000 ( 3767 PWs) bands (ev): -13.6861 -13.6861 -13.1476 -13.1476 -6.0684 -6.0684 -2.3421 -2.3421 -2.3386 -2.3386 -2.0356 -2.0356 -2.0267 -2.0267 -1.3562 -1.3562 0.6125 0.6125 0.6240 0.6240 0.8464 0.8464 1.1080 1.1080 1.1094 1.1094 2.1000 2.1000 2.4429 2.4429 4.4929 4.4929 4.4930 4.4930 5.3402 5.3402 5.3489 5.3489 5.7245 5.7245 6.0969 6.0969 6.4418 6.4418 7.1501 7.1501 7.1509 7.1509 12.7707 12.7707 14.2512 14.2512 14.2515 14.2515 14.6571 14.6571 14.6613 14.6613 k = 0.0085-0.0043-0.0131 ( 3771 PWs) bands (ev): -13.6859 -13.6859 -13.1479 -13.1479 -6.0688 -6.0688 -2.3515 -2.3515 -2.3481 -2.3481 -2.0239 -2.0239 -2.0155 -2.0155 -1.3567 -1.3567 0.6090 0.6090 0.6214 0.6214 0.8483 0.8483 1.1045 1.1045 1.1093 1.1093 2.1073 2.1073 2.4435 2.4435 4.4920 4.4920 4.4944 4.4944 5.3376 5.3376 5.3463 5.3463 5.7295 5.7295 6.0948 6.0948 6.4394 6.4394 7.1503 7.1503 7.1513 7.1513 12.7696 12.7696 14.2470 14.2470 14.2512 14.2512 14.6506 14.6506 14.6644 14.6644 k = 0.0169-0.0086-0.0262 ( 3771 PWs) bands (ev): -13.6852 -13.6852 -13.1485 -13.1485 -6.0698 -6.0698 -2.3772 -2.3772 -2.3721 -2.3721 -1.9927 -1.9927 -1.9850 -1.9850 -1.3583 -1.3583 0.5950 0.5950 0.6175 0.6175 0.8538 0.8538 1.0929 1.0929 1.1107 1.1107 2.1287 2.1287 2.4450 2.4450 4.4896 4.4896 4.4988 4.4988 5.3293 5.3293 5.3388 5.3388 5.7443 5.7443 6.0886 6.0886 6.4325 6.4325 7.1507 7.1507 7.1530 7.1530 12.7664 12.7664 14.2346 14.2346 14.2504 14.2504 14.6305 14.6305 14.6782 14.6782 k = 0.0254-0.0129-0.0394 ( 3775 PWs) bands (ev): -13.6841 -13.6841 -13.1495 -13.1495 -6.0717 -6.0717 -2.4133 -2.4133 -2.4040 -2.4040 -1.9485 -1.9485 -1.9417 -1.9417 -1.3608 -1.3608 0.5701 0.5701 0.6139 0.6139 0.8621 0.8621 1.0750 1.0750 1.1128 1.1128 2.1628 2.1628 2.4471 2.4471 4.4863 4.4863 4.5060 4.5060 5.3150 5.3150 5.3270 5.3270 5.7683 5.7683 6.0783 6.0783 6.4211 6.4211 7.1509 7.1509 7.1559 7.1559 12.7610 12.7610 14.2153 14.2153 14.2479 14.2479 14.6055 14.6055 14.7001 14.7001 k = 0.0339-0.0172-0.0525 ( 3779 PWs) bands (ev): -13.6825 -13.6825 -13.1510 -13.1510 -6.0742 -6.0742 -2.4543 -2.4543 -2.4396 -2.4396 -1.8962 -1.8962 -1.8901 -1.8901 -1.3642 -1.3642 0.5365 0.5365 0.6094 0.6094 0.8728 0.8728 1.0528 1.0528 1.1153 1.1153 2.2079 2.2079 2.4494 2.4494 4.4832 4.4832 4.5161 4.5161 5.2945 5.2945 5.3110 5.3110 5.8006 5.8006 6.0643 6.0643 6.4058 6.4058 7.1510 7.1510 7.1597 7.1597 12.7535 12.7535 14.1905 14.1905 14.2422 14.2422 14.5806 14.5806 14.7286 14.7286 k = 0.0423-0.0215-0.0656 ( 3781 PWs) bands (ev): -13.6805 -13.6805 -13.1529 -13.1529 -6.0773 -6.0773 -2.4972 -2.4972 -2.4762 -2.4762 -1.8393 -1.8393 -1.8330 -1.8330 -1.3683 -1.3683 0.4957 0.4957 0.6036 0.6036 0.8854 0.8854 1.0284 1.0284 1.1177 1.1177 2.2618 2.2618 2.4513 2.4513 4.4814 4.4814 4.5289 4.5289 5.2682 5.2682 5.2907 5.2907 5.8399 5.8399 6.0467 6.0467 6.3870 6.3870 7.1509 7.1509 7.1641 7.1641 12.7439 12.7439 14.1612 14.1612 14.2312 14.2312 14.5587 14.5587 14.7620 14.7620 k = 0.0508-0.0258-0.0787 ( 3779 PWs) bands (ev): -13.6781 -13.6781 -13.1552 -13.1552 -6.0812 -6.0812 -2.5405 -2.5405 -2.5124 -2.5124 -1.7805 -1.7805 -1.7712 -1.7712 -1.3726 -1.3726 0.4488 0.4488 0.5963 0.5963 0.8998 0.8998 1.0037 1.0037 1.1196 1.1196 2.3229 2.3229 2.4523 2.4523 4.4822 4.4822 4.5442 4.5442 5.2367 5.2367 5.2659 5.2659 5.8848 5.8848 6.0259 6.0259 6.3655 6.3655 7.1503 7.1503 7.1688 7.1688 12.7323 12.7323 14.1285 14.1285 14.2133 14.2133 14.5417 14.5417 14.7994 14.7994 k = 0.0593-0.0301-0.0918 ( 3783 PWs) bands (ev): -13.6752 -13.6752 -13.1579 -13.1579 -6.0856 -6.0856 -2.5833 -2.5833 -2.5474 -2.5474 -1.7217 -1.7217 -1.7057 -1.7057 -1.3764 -1.3764 0.3967 0.3967 0.5874 0.5874 0.9160 0.9160 0.9803 0.9803 1.1205 1.1205 2.3894 2.3894 2.4519 2.4519 4.4866 4.4866 4.5617 4.5617 5.2009 5.2009 5.2366 5.2366 5.9336 5.9336 6.0023 6.0023 6.3422 6.3422 7.1492 7.1492 7.1735 7.1735 12.7190 12.7190 14.0928 14.0928 14.1876 14.1876 14.5301 14.5301 14.8396 14.8396 k = 0.0678-0.0345-0.1050 ( 3781 PWs) bands (ev): -13.6719 -13.6719 -13.1610 -13.1610 -6.0906 -6.0906 -2.6250 -2.6250 -2.5807 -2.5807 -1.6651 -1.6651 -1.6373 -1.6373 -1.3779 -1.3779 0.3404 0.3404 0.5769 0.5769 0.9338 0.9338 0.9594 0.9594 1.1201 1.1201 2.4496 2.4496 2.4602 2.4602 4.4954 4.4954 4.5809 4.5809 5.1617 5.1617 5.2029 5.2029 5.9759 5.9759 5.9845 5.9845 6.3186 6.3186 7.1472 7.1472 7.1779 7.1779 12.7040 12.7040 14.0546 14.0546 14.1547 14.1547 14.5228 14.5228 14.8819 14.8819 k = 0.0762-0.0388-0.1181 ( 3781 PWs) bands (ev): -13.6681 -13.6681 -13.1644 -13.1644 -6.0962 -6.0962 -2.6653 -2.6653 -2.6119 -2.6119 -1.6143 -1.6143 -1.5666 -1.5666 -1.3738 -1.3738 0.2804 0.2804 0.5651 0.5651 0.9418 0.9418 0.9535 0.9535 1.1181 1.1181 2.4459 2.4459 2.5335 2.5335 4.5091 4.5091 4.6007 4.6007 5.1207 5.1207 5.1649 5.1649 5.9479 5.9479 6.0334 6.0334 6.2973 6.2973 7.1444 7.1444 7.1815 7.1815 12.6876 12.6876 14.0141 14.0141 14.1156 14.1156 14.5182 14.5182 14.9252 14.9252 k = 0.0847-0.0431-0.1312 ( 3783 PWs) bands (ev): -13.6640 -13.6640 -13.1683 -13.1683 -6.1022 -6.1022 -2.7041 -2.7041 -2.6409 -2.6409 -1.5753 -1.5753 -1.4939 -1.4939 -1.3586 -1.3586 0.2173 0.2173 0.5524 0.5524 0.9280 0.9280 0.9747 0.9747 1.1141 1.1141 2.4405 2.4405 2.6089 2.6089 4.5278 4.5278 4.6193 4.6193 5.0801 5.0801 5.1229 5.1229 5.9179 5.9179 6.0751 6.0751 6.2838 6.2838 7.1405 7.1405 7.1841 7.1841 12.6703 12.6703 13.9713 13.9713 14.0719 14.0719 14.5145 14.5145 14.9687 14.9687 k = 0.0932-0.0474-0.1443 ( 3783 PWs) bands (ev): -13.6595 -13.6595 -13.1725 -13.1725 -6.1086 -6.1086 -2.7412 -2.7412 -2.6676 -2.6676 -1.5538 -1.5538 -1.4197 -1.4197 -1.3267 -1.3267 0.1519 0.1519 0.5394 0.5394 0.9180 0.9180 0.9973 0.9973 1.1081 1.1081 2.4338 2.4338 2.6853 2.6853 4.5514 4.5514 4.6334 4.6334 5.0437 5.0437 5.0774 5.0774 5.8865 5.8865 6.0991 6.0991 6.2876 6.2876 7.1355 7.1355 7.1854 7.1854 12.6523 12.6523 13.9262 13.9262 14.0248 14.0248 14.5101 14.5101 15.0110 15.0110 k = 0.1016-0.0517-0.1574 ( 3781 PWs) bands (ev): -13.6547 -13.6547 -13.1771 -13.1771 -6.1154 -6.1154 -2.7764 -2.7764 -2.6920 -2.6920 -1.5495 -1.5495 -1.3442 -1.3442 -1.2789 -1.2789 0.0845 0.0845 0.5267 0.5267 0.9117 0.9117 1.0202 1.0202 1.1005 1.1005 2.4265 2.4265 2.7619 2.7619 4.5789 4.5789 4.6381 4.6381 5.0168 5.0168 5.0294 5.0294 5.8540 5.8540 6.0989 6.0989 6.3151 6.3151 7.1294 7.1294 7.1851 7.1851 12.6341 12.6341 13.8789 13.8789 13.9755 13.9755 14.5041 14.5041 15.0501 15.0501 k = 0.1101-0.0560-0.1706 ( 3793 PWs) bands (ev): -13.6494 -13.6494 -13.1820 -13.1820 -6.1225 -6.1225 -2.8097 -2.8097 -2.7140 -2.7140 -1.5570 -1.5570 -1.2675 -1.2675 -1.2206 -1.2206 0.0157 0.0157 0.5152 0.5152 0.9087 0.9087 1.0399 1.0399 1.0947 1.0947 2.4194 2.4194 2.8381 2.8381 4.6086 4.6086 4.6278 4.6278 4.9792 4.9792 5.0069 5.0069 5.8208 5.8208 6.0807 6.0807 6.3593 6.3593 7.1220 7.1220 7.1829 7.1829 12.6162 12.6162 13.8292 13.8292 13.9248 13.9248 14.4958 14.4958 15.0824 15.0824 k = 0.1186-0.0603-0.1837 ( 3789 PWs) bands (ev): -13.6438 -13.6438 -13.1872 -13.1872 -6.1298 -6.1298 -2.8411 -2.8411 -2.7336 -2.7336 -1.5719 -1.5719 -1.1901 -1.1901 -1.1564 -1.1564 -0.0542 -0.0542 0.5053 0.5053 0.9087 0.9087 1.0441 1.0441 1.1025 1.1025 2.4133 2.4133 2.9132 2.9132 4.5991 4.5991 4.6375 4.6375 4.9317 4.9317 5.0158 5.0158 5.7872 5.7872 6.0535 6.0535 6.4109 6.4109 7.1135 7.1135 7.1787 7.1787 12.5990 12.5990 13.7769 13.7769 13.8733 13.8733 14.4851 14.4851 15.1001 15.1001 k = 0.1270-0.0646-0.1968 ( 3787 PWs) bands (ev): -13.6379 -13.6379 -13.1927 -13.1927 -6.1373 -6.1373 -2.8706 -2.8706 -2.7511 -2.7511 -1.5917 -1.5917 -1.1120 -1.1120 -1.0890 -1.0890 -0.1247 -0.1247 0.4977 0.4977 0.9114 0.9114 1.0298 1.0298 1.1266 1.1266 2.4091 2.4091 2.9866 2.9866 4.5544 4.5544 4.6575 4.6575 4.8932 4.8932 5.0430 5.0430 5.7535 5.7535 6.0219 6.0219 6.4649 6.4649 7.1037 7.1037 7.1723 7.1723 12.5830 12.5830 13.7220 13.7220 13.8216 13.8216 14.4718 14.4718 15.0868 15.0868 k = 0.1355-0.0689-0.2099 ( 3791 PWs) bands (ev): -13.6317 -13.6317 -13.1985 -13.1985 -6.1448 -6.1448 -2.8981 -2.8981 -2.7663 -2.7663 -1.6149 -1.6149 -1.0336 -1.0336 -1.0200 -1.0200 -0.1954 -0.1954 0.4928 0.4928 0.9165 0.9165 1.0060 1.0060 1.1576 1.1576 2.4077 2.4077 3.0578 3.0578 4.4979 4.4979 4.6553 4.6553 4.8768 4.8768 5.0845 5.0845 5.7199 5.7199 5.9880 5.9880 6.5188 6.5188 7.0928 7.0928 7.1635 7.1635 12.5686 12.5686 13.6643 13.6643 13.7701 13.7701 14.4562 14.4562 15.0287 15.0287 k = 0.1440-0.0732-0.2230 ( 3789 PWs) bands (ev): -13.6252 -13.6252 -13.2046 -13.2046 -6.1524 -6.1524 -2.9237 -2.9237 -2.7795 -2.7795 -1.6407 -1.6407 -0.9553 -0.9553 -0.9500 -0.9500 -0.2661 -0.2661 0.4908 0.4908 0.9236 0.9236 0.9763 0.9763 1.1921 1.1921 2.4097 2.4097 3.1263 3.1263 4.4338 4.4338 4.6231 4.6231 4.8900 4.8900 5.1368 5.1368 5.6868 5.6868 5.9528 5.9528 6.5712 6.5712 7.0807 7.0807 7.1523 7.1523 12.5563 12.5563 13.6036 13.6036 13.7193 13.7193 14.4384 14.4384 14.9390 14.9390 k = 0.1525-0.0775-0.2362 ( 3785 PWs) bands (ev): -13.6184 -13.6184 -13.2110 -13.2110 -6.1598 -6.1598 -2.9474 -2.9474 -2.7908 -2.7908 -1.6685 -1.6685 -0.8811 -0.8811 -0.8761 -0.8761 -0.3364 -0.3364 0.4920 0.4920 0.9326 0.9326 0.9417 0.9417 1.2291 1.2291 2.4157 2.4157 3.1914 3.1914 4.3651 4.3651 4.5696 4.5696 4.9235 4.9235 5.1973 5.1973 5.6544 5.6544 5.9168 5.9168 6.6211 6.6211 7.0676 7.0676 7.1386 7.1386 12.5462 12.5462 13.5397 13.5397 13.6695 13.6695 14.4187 14.4187 14.8367 14.8367 k = 0.1609-0.0818-0.2493 ( 3795 PWs) bands (ev): -13.6114 -13.6114 -13.2176 -13.2176 -6.1671 -6.1671 -2.9692 -2.9692 -2.8003 -2.8003 -1.6979 -1.6979 -0.8115 -0.8115 -0.7985 -0.7985 -0.4058 -0.4058 0.4965 0.4965 0.9022 0.9022 0.9435 0.9435 1.2683 1.2683 2.4261 2.4261 3.2527 3.2527 4.2939 4.2939 4.5050 4.5050 4.9669 4.9669 5.2644 5.2644 5.6230 5.6230 5.8803 5.8803 6.6680 6.6680 7.0536 7.0536 7.1224 7.1224 12.5387 12.5387 13.4726 13.4726 13.6211 13.6211 14.3975 14.3975 14.7310 14.7310 k = 0.1694-0.0861-0.2624 ( 3797 PWs) bands (ev): -13.6041 -13.6041 -13.2244 -13.2244 -6.1742 -6.1742 -2.9891 -2.9891 -2.8083 -2.8083 -1.7285 -1.7285 -0.7431 -0.7431 -0.7219 -0.7219 -0.4736 -0.4736 0.5043 0.5043 0.8589 0.8589 0.9557 0.9557 1.3094 1.3094 2.4413 2.4413 3.3095 3.3095 4.2221 4.2221 4.4343 4.4343 5.0145 5.0145 5.3368 5.3368 5.5931 5.5931 5.8436 5.8436 6.7112 6.7112 7.0388 7.0388 7.1039 7.1039 12.5339 12.5339 13.4022 13.4022 13.5744 13.5744 14.3750 14.3750 14.6257 14.6257 k = 0.1779-0.0904-0.2755 ( 3803 PWs) bands (ev): -13.5967 -13.5967 -13.2314 -13.2314 -6.1809 -6.1809 -3.0073 -3.0073 -2.8149 -2.8149 -1.7598 -1.7598 -0.6760 -0.6760 -0.6493 -0.6493 -0.5372 -0.5372 0.5155 0.5155 0.8121 0.8121 0.9692 0.9692 1.3524 1.3524 2.4612 2.4612 3.3609 3.3609 4.1514 4.1514 4.3599 4.3599 5.0636 5.0636 5.4135 5.4135 5.5649 5.5649 5.8068 5.8068 6.7504 6.7504 7.0236 7.0236 7.0831 7.0831 12.5318 12.5318 13.3283 13.3283 13.5300 13.5300 14.3519 14.3519 14.5230 14.5230 k = 0.1863-0.0948-0.2886 ( 3807 PWs) bands (ev): -13.5890 -13.5890 -13.2386 -13.2386 -6.1873 -6.1873 -3.0238 -3.0238 -2.8204 -2.8204 -1.7917 -1.7917 -0.6250 -0.6250 -0.6098 -0.6098 -0.5527 -0.5527 0.5299 0.5299 0.7625 0.7625 0.9838 0.9838 1.3971 1.3971 2.4859 2.4859 3.4059 3.4059 4.0835 4.0835 4.2830 4.2830 5.1124 5.1124 5.4915 5.4915 5.5408 5.5408 5.7700 5.7700 6.7852 6.7852 7.0081 7.0081 7.0604 7.0604 12.5320 12.5320 13.2511 13.2511 13.4883 13.4883 14.3286 14.3286 14.4237 14.4237 k = 0.1948-0.0991-0.3018 ( 3805 PWs) bands (ev): -13.5812 -13.5812 -13.2460 -13.2460 -6.1931 -6.1931 -3.0387 -3.0387 -2.8250 -2.8250 -1.8236 -1.8236 -0.6800 -0.6800 -0.5467 -0.5467 -0.4879 -0.4879 0.5477 0.5477 0.7107 0.7107 0.9992 0.9992 1.4435 1.4435 2.5153 2.5153 3.4429 3.4429 4.0208 4.0208 4.2045 4.2045 5.1598 5.1598 5.5096 5.5096 5.5814 5.5814 5.7334 5.7334 6.8149 6.8149 6.9929 6.9929 7.0362 7.0362 12.5343 12.5343 13.1706 13.1706 13.4499 13.4499 14.3056 14.3056 14.3288 14.3288 k = 0.2033-0.1034-0.3149 ( 3809 PWs) bands (ev): -13.5732 -13.5732 -13.2535 -13.2535 -6.1984 -6.1984 -3.0521 -3.0521 -2.8290 -2.8290 -1.8554 -1.8554 -0.7408 -0.7408 -0.4855 -0.4855 -0.4175 -0.4175 0.5685 0.5685 0.6576 0.6576 1.0152 1.0152 1.4914 1.4914 2.5492 2.5492 3.4698 3.4698 3.9659 3.9659 4.1247 4.1247 5.2048 5.2048 5.4886 5.4886 5.6650 5.6650 5.6971 5.6971 6.8392 6.8392 6.9785 6.9785 7.0110 7.0110 12.5380 12.5380 13.0869 13.0869 13.4156 13.4156 14.2385 14.2385 14.2836 14.2836 k = 0.2117-0.1077-0.3280 ( 3809 PWs) bands (ev): -13.5652 -13.5652 -13.2611 -13.2611 -6.2031 -6.2031 -3.0641 -3.0641 -2.8327 -2.8327 -1.8867 -1.8867 -0.8004 -0.8004 -0.4269 -0.4269 -0.3488 -0.3488 0.5922 0.5922 0.6044 0.6044 1.0315 1.0315 1.5407 1.5407 2.5874 2.5874 3.4840 3.4840 3.9222 3.9222 4.0443 4.0443 5.2464 5.2464 5.4689 5.4689 5.6615 5.6615 5.7503 5.7503 6.8571 6.8571 6.9659 6.9659 6.9858 6.9858 12.5421 12.5421 13.0004 13.0004 13.3863 13.3863 14.1534 14.1534 14.2632 14.2632 k = 0.2202-0.1120-0.3411 ( 3811 PWs) bands (ev): -13.5570 -13.5570 -13.2688 -13.2688 -6.2070 -6.2070 -3.0748 -3.0748 -2.8364 -2.8364 -1.9171 -1.9171 -0.8576 -0.8576 -0.3712 -0.3712 -0.2832 -0.2832 0.5517 0.5517 0.6192 0.6192 1.0477 1.0477 1.5913 1.5913 2.6296 2.6296 3.4835 3.4835 3.8921 3.8921 3.9635 3.9635 5.2838 5.2838 5.4516 5.4516 5.6268 5.6268 5.8348 5.8348 6.8677 6.8677 6.9561 6.9561 6.9619 6.9619 12.5457 12.5457 12.9114 12.9114 13.3630 13.3630 14.0736 14.0736 14.2450 14.2450 k = 0.2287-0.1163-0.3542 ( 3811 PWs) bands (ev): -13.5488 -13.5488 -13.2766 -13.2766 -6.2103 -6.2103 -3.0843 -3.0843 -2.8406 -2.8406 -1.9463 -1.9463 -0.9121 -0.9121 -0.3188 -0.3188 -0.2222 -0.2222 0.5017 0.5017 0.6486 0.6486 1.0635 1.0635 1.6431 1.6431 2.6755 2.6755 3.4689 3.4689 3.8760 3.8760 3.8828 3.8828 5.3161 5.3161 5.4370 5.4370 5.5935 5.5935 5.9163 5.9163 6.8706 6.8706 6.9402 6.9402 6.9507 6.9507 12.5473 12.5473 12.8203 12.8203 13.3469 13.3469 13.9992 13.9992 14.2297 14.2297 k = 0.2371-0.1206-0.3674 ( 3799 PWs) bands (ev): -13.5405 -13.5405 -13.2845 -13.2845 -6.2127 -6.2127 -3.0929 -3.0929 -2.8455 -2.8455 -1.9741 -1.9741 -0.9634 -0.9634 -0.2697 -0.2697 -0.1675 -0.1675 0.4561 0.4561 0.6804 0.6804 1.0785 1.0785 1.6959 1.6959 2.7249 2.7249 3.4434 3.4434 3.8019 3.8019 3.8717 3.8717 5.3422 5.3422 5.4251 5.4251 5.5623 5.5623 5.9924 5.9924 6.8669 6.8669 6.9242 6.9242 6.9476 6.9476 12.5456 12.5456 12.7275 12.7275 13.3391 13.3391 13.9302 13.9302 14.2179 14.2179 k = 0.2456-0.1249-0.3805 ( 3799 PWs) bands (ev): -13.5322 -13.5322 -13.2923 -13.2923 -6.2143 -6.2143 -3.1007 -3.1007 -2.8515 -2.8515 -2.0002 -2.0002 -1.0113 -1.0113 -0.2243 -0.2243 -0.1217 -0.1217 0.4180 0.4180 0.7139 0.7139 1.0927 1.0927 1.7495 1.7495 2.7773 2.7773 3.4120 3.4120 3.7217 3.7217 3.8744 3.8744 5.3607 5.3607 5.4159 5.4159 5.5342 5.5342 6.0597 6.0597 6.8592 6.8592 6.9164 6.9164 6.9451 6.9451 12.5394 12.5394 12.6335 12.6335 13.3407 13.3407 13.8668 13.8668 14.2100 14.2100 k = 0.2541-0.1292-0.3936 ( 3799 PWs) bands (ev): -13.5239 -13.5239 -13.3002 -13.3002 -6.2150 -6.2150 -3.1079 -3.1079 -2.8589 -2.8589 -2.0241 -2.0241 -1.0554 -1.0554 -0.1825 -0.1825 -0.0885 -0.0885 0.3911 0.3911 0.7485 0.7485 1.1060 1.1060 1.8039 1.8039 2.8325 2.8325 3.3792 3.3792 3.6423 3.6423 3.8806 3.8806 5.3699 5.3699 5.4091 5.4091 5.5110 5.5110 6.1148 6.1148 6.8496 6.8496 6.9203 6.9203 6.9412 6.9412 12.5277 12.5277 12.5390 12.5390 13.3521 13.3521 13.8088 13.8088 14.2064 14.2064 k = 0.2626-0.1335-0.4067 ( 3797 PWs) bands (ev): -13.5156 -13.5156 -13.3081 -13.3081 -6.2148 -6.2148 -3.1145 -3.1145 -2.8682 -2.8682 -2.0457 -2.0457 -1.0954 -1.0954 -0.1446 -0.1446 -0.0713 -0.0713 0.3792 0.3792 0.7829 0.7829 1.1188 1.1188 1.8589 1.8589 2.8899 2.8899 3.3485 3.3485 3.5640 3.5640 3.8876 3.8876 5.3684 5.3684 5.4045 5.4045 5.4940 5.4940 6.1544 6.1544 6.8396 6.8396 6.9347 6.9347 6.9398 6.9398 12.4444 12.4444 12.5103 12.5103 13.3736 13.3736 13.7562 13.7562 14.2074 14.2074 k = 0.2710-0.1378-0.4198 ( 3797 PWs) bands (ev): -13.5074 -13.5074 -13.3159 -13.3159 -6.2136 -6.2136 -3.1209 -3.1209 -2.8796 -2.8796 -2.0647 -2.0647 -1.1313 -1.1313 -0.1105 -0.1105 -0.0716 -0.0716 0.3841 0.3841 0.8152 0.8152 1.1323 1.1323 1.9142 1.9142 2.9493 2.9493 3.3222 3.3222 3.4870 3.4870 3.8938 3.8938 5.3567 5.3567 5.4015 5.4015 5.4828 5.4828 6.1771 6.1771 6.8293 6.8293 6.9263 6.9263 6.9754 6.9754 12.3502 12.3502 12.4872 12.4872 13.4046 13.4046 13.7089 13.7089 14.2129 14.2129 k = 0.2795-0.1421-0.4330 ( 3795 PWs) bands (ev): -13.4992 -13.4992 -13.3237 -13.3237 -6.2115 -6.2115 -3.1272 -3.1272 -2.8934 -2.8934 -2.0808 -2.0808 -1.1628 -1.1628 -0.0878 -0.0878 -0.0798 -0.0798 0.4037 0.4037 0.8430 0.8430 1.1486 1.1486 1.9697 1.9697 3.0099 3.0099 3.3021 3.3021 3.4119 3.4119 3.8981 3.8981 5.3378 5.3378 5.3992 5.3992 5.4746 5.4746 6.1839 6.1839 6.8189 6.8189 6.9155 6.9155 7.0274 7.0274 12.2570 12.2570 12.4590 12.4590 13.4443 13.4443 13.6669 13.6669 14.2230 14.2230 k = 0.2880-0.1464-0.4461 ( 3801 PWs) bands (ev): -13.4912 -13.4912 -13.3313 -13.3313 -6.2084 -6.2084 -3.1335 -3.1335 -2.9099 -2.9099 -2.0938 -2.0938 -1.1899 -1.1899 -0.1139 -0.1139 -0.0535 -0.0535 0.4337 0.4337 0.8629 0.8629 1.1703 1.1703 2.0250 2.0250 3.0709 3.0709 3.2890 3.2890 3.3396 3.3396 3.9000 3.9000 5.3150 5.3150 5.3967 5.3967 5.4667 5.4667 6.1779 6.1779 6.8075 6.8075 6.9032 6.9032 7.0929 7.0929 12.1653 12.1653 12.4263 12.4263 13.4915 13.4915 13.6302 13.6302 14.2373 14.2373 k = 0.2964-0.1507-0.4592 ( 3795 PWs) bands (ev): -13.4833 -13.4833 -13.3389 -13.3389 -6.2043 -6.2043 -3.1401 -3.1401 -2.9290 -2.9290 -2.1035 -2.1035 -1.2127 -1.2127 -0.1465 -0.1465 -0.0306 -0.0306 0.4698 0.4698 0.8721 0.8721 1.2000 1.2000 2.0800 2.0800 3.1297 3.1297 3.2725 3.2725 3.2835 3.2835 3.8993 3.8993 5.2902 5.2902 5.3928 5.3928 5.4577 5.4577 6.1635 6.1635 6.7940 6.7940 6.8908 6.8908 7.1684 7.1684 12.0756 12.0756 12.3900 12.3900 13.5448 13.5448 13.5985 13.5985 14.2553 14.2553 k = 0.3049-0.1551-0.4723 ( 3795 PWs) bands (ev): -13.4755 -13.4755 -13.3464 -13.3464 -6.1993 -6.1993 -3.1469 -3.1469 -2.9509 -2.9509 -2.1098 -2.1098 -1.2313 -1.2313 -0.1819 -0.1819 -0.0112 -0.0112 0.5085 0.5085 0.8696 0.8696 1.2387 1.2387 2.1342 2.1342 3.1627 3.1627 3.2342 3.2342 3.2859 3.2859 3.8957 3.8957 5.2643 5.2643 5.3860 5.3860 5.4474 5.4474 6.1447 6.1447 6.7770 6.7770 6.8796 6.8796 7.2508 7.2508 11.9883 11.9883 12.3509 12.3509 13.5718 13.5718 13.6030 13.6030 14.2764 14.2764 k = 0.3134-0.1594-0.4854 ( 3791 PWs) bands (ev): -13.4679 -13.4679 -13.3537 -13.3537 -6.1933 -6.1933 -3.1542 -3.1542 -2.9756 -2.9756 -2.1125 -2.1125 -1.2459 -1.2459 -0.2176 -0.2176 0.0046 0.0046 0.5478 0.5478 0.8560 0.8560 1.2859 1.2859 2.1872 2.1872 3.1200 3.1200 3.2750 3.2750 3.2960 3.2960 3.8894 3.8894 5.2374 5.2374 5.3747 5.3747 5.4363 5.4363 6.1252 6.1252 6.7553 6.7553 6.8709 6.8709 7.3374 7.3374 11.9040 11.9040 12.3097 12.3097 13.5499 13.5499 13.6644 13.6644 14.2995 14.2995 k = 0.3218-0.1637-0.4986 ( 3781 PWs) bands (ev): -13.4605 -13.4605 -13.3608 -13.3608 -6.1864 -6.1864 -3.1620 -3.1620 -3.0028 -3.0028 -2.1117 -2.1117 -1.2570 -1.2570 -0.2520 -0.2520 0.0169 0.0169 0.5861 0.5861 0.8332 0.8332 1.3401 1.3401 2.2382 2.2382 3.0626 3.0626 3.3135 3.3135 3.3341 3.3341 3.8803 3.8803 5.2090 5.2090 5.3575 5.3575 5.4255 5.4255 6.1079 6.1079 6.7288 6.7288 6.8647 6.8647 7.4262 7.4262 11.8231 11.8231 12.2672 12.2672 13.5327 13.5327 13.7271 13.7271 14.3236 14.3236 k = 0.3303-0.1680-0.5117 ( 3783 PWs) bands (ev): -13.4533 -13.4533 -13.3678 -13.3678 -6.1786 -6.1786 -3.1702 -3.1702 -3.0325 -3.0325 -2.1072 -2.1072 -1.2650 -1.2650 -0.2838 -0.2838 0.0257 0.0257 0.6223 0.6223 0.8032 0.8032 1.4000 1.4000 2.2863 2.2863 3.0080 3.0080 3.3377 3.3377 3.3945 3.3945 3.8686 3.8686 5.1788 5.1788 5.3332 5.3332 5.4165 5.4165 6.0948 6.0948 6.6978 6.6978 6.8608 6.8608 7.5155 7.5155 11.7460 11.7460 12.2239 12.2239 13.5196 13.5196 13.7889 13.7889 14.3476 14.3476 k = 0.3388-0.1723-0.5248 ( 3789 PWs) bands (ev): -13.4463 -13.4463 -13.3745 -13.3745 -6.1700 -6.1700 -3.1790 -3.1790 -3.0642 -3.0642 -2.0991 -2.0991 -1.2705 -1.2705 -0.3123 -0.3123 0.0307 0.0307 0.6556 0.6556 0.7680 0.7680 1.4643 1.4643 2.3302 2.3302 2.9597 2.9597 3.3680 3.3680 3.4542 3.4542 3.8544 3.8544 5.1460 5.1460 5.3013 5.3013 5.4103 5.4103 6.0872 6.0872 6.6631 6.6631 6.8583 6.8583 7.6043 7.6043 11.6732 11.6732 12.1803 12.1803 13.5103 13.5103 13.8473 13.8473 14.3709 14.3709 k = 0.3472-0.1766-0.5379 ( 3791 PWs) bands (ev): -13.4395 -13.4395 -13.3811 -13.3811 -6.1607 -6.1607 -3.1881 -3.1881 -3.0977 -3.0977 -2.0877 -2.0877 -1.2740 -1.2740 -0.3365 -0.3365 0.0319 0.0319 0.6850 0.6850 0.7296 0.7296 1.5323 1.5323 2.3679 2.3679 2.9201 2.9201 3.4036 3.4036 3.5123 3.5123 3.8377 3.8377 5.1103 5.1103 5.2620 5.2620 5.4081 5.4081 6.0854 6.0854 6.6253 6.6253 6.8569 6.8569 7.6916 7.6916 11.6051 11.6051 12.1368 12.1368 13.5040 13.5040 13.8990 13.8990 14.3939 14.3939 k = 0.3557-0.1809-0.5510 ( 3797 PWs) bands (ev): -13.4330 -13.4330 -13.3873 -13.3873 -6.1507 -6.1507 -3.1977 -3.1977 -3.1327 -3.1327 -2.0729 -2.0729 -1.2763 -1.2763 -0.3560 -0.3560 0.0289 0.0289 0.6869 0.6869 0.7129 0.7129 1.6033 1.6033 2.3971 2.3971 2.8919 2.8919 3.4437 3.4437 3.5683 3.5683 3.8185 3.8185 5.0716 5.0716 5.2160 5.2160 5.4105 5.4105 6.0890 6.0890 6.5851 6.5851 6.8558 6.8558 7.7766 7.7766 11.5420 11.5420 12.0938 12.0938 13.4998 13.4998 13.9407 13.9407 14.3350 14.3350 k = 0.3642-0.1852-0.5642 ( 3795 PWs) bands (ev): -13.4268 -13.4268 -13.3934 -13.3934 -6.1402 -6.1402 -3.2075 -3.2075 -3.1686 -3.1686 -2.0550 -2.0550 -1.2779 -1.2779 -0.3702 -0.3702 0.0214 0.0214 0.6468 0.6468 0.7333 0.7333 1.6768 1.6768 2.4155 2.4155 2.8776 2.8776 3.4873 3.4873 3.6220 3.6220 3.7970 3.7970 5.0299 5.0299 5.1643 5.1643 5.4178 5.4178 6.0970 6.0970 6.5430 6.5430 6.8549 6.8549 7.8588 7.8588 11.4843 11.4843 12.0516 12.0516 13.4960 13.4960 13.9696 13.9696 14.2563 14.2563 k = 0.3727-0.1895-0.5773 ( 3783 PWs) bands (ev): -13.4209 -13.4209 -13.3991 -13.3991 -6.1291 -6.1291 -3.2176 -3.2176 -3.2050 -3.2050 -2.0342 -2.0342 -1.2793 -1.2793 -0.3788 -0.3788 0.0090 0.0090 0.6071 0.6071 0.7497 0.7497 1.7526 1.7526 2.4219 2.4219 2.8785 2.8785 3.5336 3.5336 3.6730 3.6730 3.7729 3.7729 4.9857 4.9857 5.1083 5.1083 5.4300 5.4300 6.1085 6.1085 6.4995 6.4995 6.8538 6.8538 7.9375 7.9375 11.4322 11.4322 12.0106 12.0106 13.4906 13.4906 13.9849 13.9849 14.1820 14.1820 k = 0.3811-0.1938-0.5904 ( 3789 PWs) bands (ev): -13.4153 -13.4153 -13.4046 -13.4046 -6.1177 -6.1177 -3.2420 -3.2420 -3.2274 -3.2274 -2.0109 -2.0109 -1.2811 -1.2811 -0.3818 -0.3818 -0.0085 -0.0085 0.5696 0.5696 0.7611 0.7611 1.8302 1.8302 2.4176 2.4176 2.8937 2.8937 3.5818 3.5818 3.7212 3.7212 3.7465 3.7465 4.9393 4.9393 5.0493 5.0493 5.4468 5.4468 6.1224 6.1224 6.4551 6.4551 6.8522 6.8522 8.0125 8.0125 11.3859 11.3859 11.9710 11.9710 13.4808 13.4808 13.9876 13.9876 14.1155 14.1155 k = 0.6189 0.1129-0.3683 ( 3789 PWs) bands (ev): -13.4153 -13.4153 -13.4046 -13.4046 -6.1177 -6.1177 -3.2420 -3.2420 -3.2274 -3.2274 -2.0109 -2.0109 -1.2811 -1.2811 -0.3818 -0.3818 -0.0085 -0.0085 0.5696 0.5696 0.7611 0.7611 1.8302 1.8302 2.4176 2.4176 2.8937 2.8937 3.5818 3.5818 3.7212 3.7212 3.7465 3.7465 4.9393 4.9393 5.0493 5.0493 5.4468 5.4468 6.1224 6.1224 6.4551 6.4551 6.8522 6.8522 8.0125 8.0125 11.3859 11.3859 11.9710 11.9710 13.4808 13.4808 13.9876 13.9876 14.1155 14.1155 k = 0.6104 0.1267-0.3683 ( 3791 PWs) bands (ev): -13.4100 -13.4100 -13.4097 -13.4097 -6.1061 -6.1061 -3.2784 -3.2784 -3.2375 -3.2375 -1.9852 -1.9852 -1.2835 -1.2835 -0.3790 -0.3790 -0.0313 -0.0313 0.5354 0.5354 0.7673 0.7673 1.9097 1.9097 2.4054 2.4054 2.9201 2.9201 3.6308 3.6308 3.7175 3.7175 3.7668 3.7668 4.8911 4.8911 4.9885 4.9885 5.4678 5.4678 6.1376 6.1376 6.4103 6.4103 6.8502 6.8502 8.0835 8.0835 11.3456 11.3456 11.9329 11.9329 13.4630 13.4630 13.9802 13.9802 14.0604 14.0604 k = 0.6019 0.1405-0.3683 ( 3789 PWs) bands (ev): -13.4145 -13.4145 -13.4051 -13.4051 -6.0944 -6.0944 -3.3143 -3.3143 -3.2473 -3.2473 -1.9576 -1.9576 -1.2866 -1.2866 -0.3708 -0.3708 -0.0593 -0.0593 0.5052 0.5052 0.7682 0.7682 1.9906 1.9906 2.3888 2.3888 2.9543 2.9543 3.6708 3.6708 3.6952 3.6952 3.8093 3.8093 4.8419 4.8419 4.9272 4.9272 5.4922 5.4922 6.1533 6.1533 6.3655 6.3655 6.8476 6.8476 8.1500 8.1500 11.3114 11.3114 11.8967 11.8967 13.4341 13.4341 13.9655 13.9655 14.0201 14.0201 k = 0.5934 0.1544-0.3683 ( 3799 PWs) bands (ev): -13.4191 -13.4191 -13.4005 -13.4005 -6.0827 -6.0827 -3.3490 -3.3490 -3.2568 -3.2568 -1.9285 -1.9285 -1.2906 -1.2906 -0.3574 -0.3574 -0.0919 -0.0919 0.4794 0.4794 0.7639 0.7639 2.0727 2.0727 2.3705 2.3705 2.9934 2.9934 3.6455 3.6455 3.7347 3.7347 3.8490 3.8490 4.7922 4.7922 4.8665 4.8665 5.5194 5.5194 6.1688 6.1688 6.3214 6.3214 6.8443 6.8443 8.2118 8.2118 11.2832 11.2832 11.8626 11.8626 13.3929 13.3929 13.9459 13.9459 13.9965 13.9965 k = 0.5849 0.1682-0.3683 ( 3793 PWs) bands (ev): -13.4232 -13.4232 -13.3963 -13.3963 -6.0713 -6.0713 -3.3823 -3.3823 -3.2658 -3.2658 -1.8983 -1.8983 -1.2953 -1.2953 -0.3396 -0.3396 -0.1281 -0.1281 0.4580 0.4580 0.7547 0.7547 2.1559 2.1559 2.3523 2.3523 3.0352 3.0352 3.6069 3.6069 3.7831 3.7831 3.8857 3.8857 4.7426 4.7426 4.8075 4.8075 5.5485 5.5485 6.1835 6.1835 6.2785 6.2785 6.8404 6.8404 8.2687 8.2687 11.2610 11.2610 11.8307 11.8307 13.3405 13.3405 13.9234 13.9234 13.9885 13.9885 k = 0.5764 0.1821-0.3683 ( 3793 PWs) bands (ev): -13.4270 -13.4270 -13.3924 -13.3924 -6.0602 -6.0602 -3.4138 -3.4138 -3.2743 -3.2743 -1.8676 -1.8676 -1.3006 -1.3006 -0.3179 -0.3179 -0.1669 -0.1669 0.4404 0.4404 0.7412 0.7412 2.2398 2.2398 2.3354 2.3354 3.0780 3.0780 3.5639 3.5639 3.8305 3.8305 3.9195 3.9195 4.6936 4.6936 4.7511 4.7511 5.5786 5.5786 6.1970 6.1970 6.2373 6.2373 6.8360 6.8360 8.3205 8.3205 11.2443 11.2443 11.8013 11.8013 13.2802 13.2802 13.8994 13.8994 13.9931 13.9931 k = 0.5679 0.1959-0.3683 ( 3795 PWs) bands (ev): -13.4304 -13.4304 -13.3889 -13.3889 -6.0498 -6.0498 -3.4430 -3.4430 -3.2821 -3.2821 -1.8369 -1.8369 -1.3062 -1.3062 -0.2934 -0.2934 -0.2069 -0.2069 0.4263 0.4263 0.7239 0.7239 2.3203 2.3203 2.3244 2.3244 3.1205 3.1205 3.5168 3.5168 3.8758 3.8758 3.9504 3.9504 4.6461 4.6461 4.6981 4.6981 5.6089 5.6089 6.1984 6.1984 6.2091 6.2091 6.8312 6.8312 8.3671 8.3671 11.2328 11.2328 11.7744 11.7744 13.2158 13.2158 13.8754 13.8754 14.0066 14.0066 k = 0.5594 0.2098-0.3683 ( 3791 PWs) bands (ev): -13.4334 -13.4334 -13.3858 -13.3858 -6.0400 -6.0400 -3.4696 -3.4696 -3.2893 -3.2893 -1.8070 -1.8070 -1.3118 -1.3118 -0.2676 -0.2676 -0.2461 -0.2461 0.4151 0.4151 0.7038 0.7038 2.3075 2.3075 2.4093 2.4093 3.1616 3.1616 3.4655 3.4655 3.9185 3.9185 3.9783 3.9783 4.6006 4.6006 4.6492 4.6492 5.6383 5.6383 6.1624 6.1624 6.2195 6.2195 6.8262 6.8262 8.4084 8.4084 11.2259 11.2259 11.7503 11.7503 13.1508 13.1508 13.8522 13.8522 14.0258 14.0258 k = 0.5509 0.2236-0.3683 ( 3792 PWs) bands (ev): -13.4361 -13.4361 -13.3831 -13.3831 -6.0312 -6.0312 -3.4934 -3.4934 -3.2956 -3.2956 -1.7785 -1.7785 -1.3173 -1.3173 -0.2857 -0.2857 -0.2389 -0.2389 0.4063 0.4063 0.6819 0.6819 2.2968 2.2968 2.4942 2.4942 3.2005 3.2005 3.4099 3.4099 3.9578 3.9578 4.0030 4.0030 4.5581 4.5581 4.6050 4.6050 5.6660 5.6660 6.1298 6.1298 6.2283 6.2283 6.8211 6.8211 8.4443 8.4443 11.2228 11.2228 11.7291 11.7291 13.0883 13.0883 13.8306 13.8306 14.0478 14.0478 k = 0.5425 0.2375-0.3683 ( 3782 PWs) bands (ev): -13.4383 -13.4383 -13.3808 -13.3808 -6.0234 -6.0234 -3.5141 -3.5141 -3.3010 -3.3010 -1.7522 -1.7522 -1.3223 -1.3223 -0.3209 -0.3209 -0.2122 -0.2122 0.3996 0.3996 0.6594 0.6594 2.2881 2.2881 2.5790 2.5790 3.2359 3.2359 3.3501 3.3501 3.9931 3.9931 4.0246 4.0246 4.5195 4.5195 4.5661 4.5661 5.6912 5.6912 6.1012 6.1012 6.2356 6.2356 6.8161 6.8161 8.4748 8.4748 11.2226 11.2226 11.7109 11.7109 13.0309 13.0309 13.8113 13.8113 14.0703 14.0703 k = 0.5340 0.2513-0.3683 ( 3788 PWs) bands (ev): -13.4402 -13.4402 -13.3790 -13.3790 -6.0168 -6.0168 -3.5313 -3.5313 -3.3056 -3.3056 -1.7291 -1.7291 -1.3268 -1.3268 -0.3521 -0.3521 -0.1871 -0.1871 0.3944 0.3944 0.6379 0.6379 2.2814 2.2814 2.6632 2.6632 3.2670 3.2670 3.2864 3.2864 4.0237 4.0237 4.0427 4.0427 4.4857 4.4857 4.5329 4.5329 5.7129 5.7129 6.0770 6.0770 6.2412 6.2412 6.8116 6.8116 8.4998 8.4998 11.2245 11.2245 11.6959 11.6959 12.9806 12.9806 13.7949 13.7949 14.0913 14.0913 k = 0.5255 0.2651-0.3683 ( 3788 PWs) bands (ev): -13.4416 -13.4416 -13.3775 -13.3775 -6.0115 -6.0115 -3.5449 -3.5449 -3.3092 -3.3092 -1.7099 -1.7099 -1.3304 -1.3304 -0.3779 -0.3779 -0.1652 -0.1652 0.3906 0.3906 0.6187 0.6187 2.2764 2.2764 2.7464 2.7464 3.2192 3.2192 3.2926 3.2926 4.0486 4.0486 4.0574 4.0574 4.4579 4.4579 4.5060 4.5060 5.7305 5.7305 6.0578 6.0578 6.2455 6.2455 6.8077 6.8077 8.5192 8.5192 11.2272 11.2272 11.6841 11.6841 12.9394 12.9394 13.7816 13.7816 14.1094 14.1094 k = 0.5170 0.2790-0.3683 ( 3790 PWs) bands (ev): -13.4427 -13.4427 -13.3764 -13.3764 -6.0077 -6.0077 -3.5548 -3.5548 -3.3117 -3.3117 -1.6955 -1.6955 -1.3330 -1.3330 -0.3971 -0.3971 -0.1482 -0.1482 0.3881 0.3881 0.6035 0.6035 2.2730 2.2730 2.8278 2.8278 3.1491 3.1491 3.3118 3.3118 4.0654 4.0654 4.0701 4.0701 4.4371 4.4371 4.4860 4.4860 5.7435 5.7435 6.0439 6.0439 6.2484 6.2484 6.8048 6.8048 8.5331 8.5331 11.2300 11.2300 11.6756 11.6756 12.9088 12.9088 13.7719 13.7719 14.1232 14.1232 k = 0.5085 0.2928-0.3683 ( 3788 PWs) bands (ev): -13.4433 -13.4433 -13.3758 -13.3758 -6.0053 -6.0053 -3.5608 -3.5608 -3.3133 -3.3133 -1.6865 -1.6865 -1.3347 -1.3347 -0.4091 -0.4091 -0.1373 -0.1373 0.3866 0.3866 0.5937 0.5937 2.2709 2.2709 2.9052 2.9052 3.0785 3.0785 3.3238 3.3238 4.0729 4.0729 4.0809 4.0809 4.4242 4.4242 4.4737 4.4737 5.7514 5.7514 6.0355 6.0355 6.2501 6.2501 6.8029 6.8029 8.5415 8.5415 11.2321 11.2321 11.6705 11.6705 12.8899 12.8899 13.7660 13.7660 14.1319 14.1319 k = 0.5000 0.3067-0.3683 ( 3788 PWs) bands (ev): -13.4435 -13.4435 -13.3756 -13.3756 -6.0045 -6.0045 -3.5628 -3.5628 -3.3138 -3.3138 -1.6835 -1.6835 -1.3352 -1.3352 -0.4131 -0.4131 -0.1336 -0.1336 0.3861 0.3861 0.5904 0.5904 2.2703 2.2703 2.9562 2.9562 3.0298 3.0298 3.3278 3.3278 4.0751 4.0751 4.0848 4.0848 4.4198 4.4198 4.4695 4.4695 5.7541 5.7541 6.0326 6.0326 6.2507 6.2507 6.8023 6.8023 8.5443 8.5443 11.2328 11.2328 11.6688 11.6688 12.8835 12.8835 13.7640 13.7640 14.1348 14.1348 k = 0.5000 0.3067-0.3683 ( 3788 PWs) bands (ev): -13.4435 -13.4435 -13.3756 -13.3756 -6.0045 -6.0045 -3.5628 -3.5628 -3.3138 -3.3138 -1.6835 -1.6835 -1.3352 -1.3352 -0.4131 -0.4131 -0.1336 -0.1336 0.3861 0.3861 0.5904 0.5904 2.2703 2.2703 2.9562 2.9562 3.0298 3.0298 3.3278 3.3278 4.0751 4.0751 4.0848 4.0848 4.4198 4.4198 4.4695 4.4695 5.7541 5.7541 6.0326 6.0326 6.2507 6.2507 6.8023 6.8023 8.5443 8.5443 11.2328 11.2328 11.6688 11.6688 12.8835 12.8835 13.7640 13.7640 14.1348 14.1348 k = 0.5074 0.3112-0.3544 ( 3791 PWs) bands (ev): -13.4438 -13.4438 -13.3753 -13.3753 -6.0042 -6.0042 -3.5620 -3.5620 -3.3140 -3.3140 -1.6914 -1.6914 -1.3302 -1.3302 -0.4146 -0.4146 -0.1276 -0.1276 0.3835 0.3835 0.5899 0.5899 2.2723 2.2723 2.9538 2.9538 3.0252 3.0252 3.3299 3.3299 4.0733 4.0733 4.0799 4.0799 4.4272 4.4272 4.4723 4.4723 5.7566 5.7566 6.0340 6.0340 6.2539 6.2539 6.7998 6.7998 8.5411 8.5411 11.2351 11.2351 11.6720 11.6720 12.8757 12.8757 13.7677 13.7677 14.1265 14.1265 k = 0.5149 0.3158-0.3405 ( 3795 PWs) bands (ev): -13.4445 -13.4445 -13.3746 -13.3746 -6.0033 -6.0033 -3.5598 -3.5598 -3.3147 -3.3147 -1.7139 -1.7139 -1.3160 -1.3160 -0.4189 -0.4189 -0.1099 -0.1099 0.3760 0.3760 0.5884 0.5884 2.2784 2.2784 2.9467 2.9467 3.0120 3.0120 3.3358 3.3358 4.0638 4.0638 4.0710 4.0710 4.4479 4.4479 4.4805 4.4805 5.7642 5.7642 6.0382 6.0382 6.2633 6.2633 6.7922 6.7922 8.5315 8.5315 11.2419 11.2419 11.6815 11.6815 12.8525 12.8525 13.7783 13.7783 14.1020 14.1020 k = 0.5223 0.3203-0.3266 ( 3789 PWs) bands (ev): -13.4456 -13.4456 -13.3734 -13.3734 -6.0016 -6.0016 -3.5560 -3.5560 -3.3157 -3.3157 -1.7477 -1.7477 -1.2955 -1.2955 -0.4260 -0.4260 -0.0811 -0.0811 0.3637 0.3637 0.5860 0.5860 2.2880 2.2880 2.9349 2.9349 2.9916 2.9916 3.3442 3.3442 4.0443 4.0443 4.0642 4.0642 4.4786 4.4786 4.4935 4.4935 5.7764 5.7764 6.0456 6.0456 6.2786 6.2786 6.7800 6.7800 8.5156 8.5156 11.2532 11.2532 11.6973 11.6973 12.8152 12.8152 13.7950 13.7950 14.0624 14.0624 k = 0.5297 0.3249-0.3128 ( 3791 PWs) bands (ev): -13.4472 -13.4472 -13.3718 -13.3718 -5.9994 -5.9994 -3.5508 -3.5508 -3.3170 -3.3170 -1.7899 -1.7899 -1.2709 -1.2709 -0.4360 -0.4360 -0.0424 -0.0424 0.3470 0.3470 0.5827 0.5827 2.3005 2.3005 2.9185 2.9185 2.9662 2.9662 3.3540 3.3540 4.0220 4.0220 4.0564 4.0564 4.5105 4.5105 4.5161 4.5161 5.7924 5.7924 6.0567 6.0567 6.2990 6.2990 6.7637 6.7637 8.4937 8.4937 11.2690 11.2690 11.7191 11.7191 12.7654 12.7654 13.8164 13.8164 14.0094 14.0094 k = 0.5371 0.3295-0.2989 ( 3793 PWs) bands (ev): -13.4491 -13.4491 -13.3698 -13.3698 -5.9966 -5.9966 -3.5441 -3.5441 -3.3187 -3.3187 -1.8378 -1.8378 -1.2438 -1.2438 -0.4487 -0.4487 0.0050 0.0050 0.3269 0.3269 0.5785 0.5785 2.3148 2.3148 2.8975 2.8975 2.9378 2.9378 3.3641 3.3641 3.9996 3.9996 4.0479 4.0479 4.5307 4.5307 4.5579 4.5579 5.8113 5.8113 6.0721 6.0721 6.3231 6.3231 6.7444 6.7444 8.4660 8.4660 11.2893 11.2893 11.7465 11.7465 12.7048 12.7048 13.8413 13.8413 13.9451 13.9451 k = 0.5446 0.3340-0.2850 ( 3793 PWs) bands (ev): -13.4514 -13.4514 -13.3675 -13.3675 -5.9931 -5.9931 -3.5359 -3.5359 -3.3204 -3.3204 -1.8897 -1.8897 -1.2151 -1.2151 -0.4642 -0.4642 0.0585 0.0585 0.3048 0.3048 0.5735 0.5735 2.3297 2.3297 2.8722 2.8722 2.9086 2.9086 3.3737 3.3737 3.9788 3.9788 4.0394 4.0394 4.5531 4.5531 4.6024 4.6024 5.8318 5.8318 6.0929 6.0929 6.3486 6.3486 6.7240 6.7240 8.4328 8.4328 11.3141 11.3141 11.7793 11.7793 12.6354 12.6354 13.8683 13.8683 13.8713 13.8713 k = 0.5520 0.3386-0.2711 ( 3794 PWs) bands (ev): -13.4541 -13.4541 -13.3648 -13.3648 -5.9892 -5.9892 -3.5263 -3.5263 -3.3223 -3.3223 -1.9443 -1.9443 -1.1853 -1.1853 -0.4823 -0.4823 0.1132 0.1132 0.2852 0.2852 0.5677 0.5677 2.3433 2.3433 2.8427 2.8427 2.8809 2.8809 3.3825 3.3825 3.9606 3.9606 4.0313 4.0313 4.5770 4.5770 4.6485 4.6485 5.8525 5.8525 6.1198 6.1198 6.3716 6.3716 6.7062 6.7062 8.3946 8.3946 11.3432 11.3432 11.8168 11.8168 12.5587 12.5587 13.7897 13.7897 13.8959 13.8959 k = 0.5594 0.3431-0.2572 ( 3796 PWs) bands (ev): -13.4570 -13.4570 -13.3618 -13.3618 -5.9847 -5.9847 -3.5152 -3.5152 -3.3241 -3.3241 -2.0005 -2.0005 -1.1543 -1.1543 -0.5030 -0.5030 0.1533 0.1533 0.2830 0.2830 0.5612 0.5612 2.3534 2.3534 2.8094 2.8094 2.8571 2.8571 3.3904 3.3904 3.9456 3.9456 4.0241 4.0241 4.6018 4.6018 4.6956 4.6956 5.8724 5.8724 6.1536 6.1536 6.3859 6.3859 6.6969 6.6969 8.3515 8.3515 11.3767 11.3767 11.8586 11.8586 12.4765 12.4765 13.7021 13.7021 13.9225 13.9225 k = 0.5669 0.3477-0.2434 ( 3795 PWs) bands (ev): -13.4602 -13.4602 -13.3585 -13.3585 -5.9797 -5.9797 -3.5027 -3.5027 -3.3257 -3.3257 -2.0576 -2.0576 -1.1224 -1.1224 -0.5262 -0.5262 0.1543 0.1543 0.3221 0.3221 0.5541 0.5541 2.3575 2.3575 2.7727 2.7727 2.8399 2.8399 3.3973 3.3973 3.9339 3.9339 4.0181 4.0181 4.6270 4.6270 4.7433 4.7433 5.8906 5.8906 6.1943 6.1943 6.3841 6.3841 6.7028 6.7028 8.3041 8.3041 11.4145 11.4145 11.9041 11.9041 12.3902 12.3902 13.6099 13.6099 13.9459 13.9459 k = 0.5743 0.3522-0.2295 ( 3797 PWs) bands (ev): -13.4636 -13.4636 -13.3550 -13.3550 -5.9744 -5.9744 -3.4888 -3.4888 -3.3270 -3.3270 -2.1150 -2.1150 -1.0894 -1.0894 -0.5518 -0.5518 0.1282 0.1282 0.3901 0.3901 0.5464 0.5464 2.3537 2.3537 2.7329 2.7329 2.8313 2.8313 3.4035 3.4035 3.9257 3.9257 4.0134 4.0134 4.6521 4.6521 4.7912 4.7912 5.9070 5.9070 6.2416 6.2416 6.3626 6.3626 6.7273 6.7273 8.2527 8.2527 11.4564 11.4564 11.9526 11.9526 12.3012 12.3012 13.5145 13.5145 13.9627 13.9627 k = 0.5817 0.3568-0.2156 ( 3801 PWs) bands (ev): -13.4672 -13.4672 -13.3513 -13.3513 -5.9686 -5.9686 -3.4735 -3.4735 -3.3278 -3.3278 -2.1720 -2.1720 -1.0553 -1.0553 -0.5796 -0.5796 0.0921 0.0921 0.4691 0.4691 0.5382 0.5382 2.3410 2.3410 2.6907 2.6907 2.8324 2.8324 3.4093 3.4093 3.9209 3.9209 4.0104 4.0104 4.6766 4.6766 4.8394 4.8394 5.9217 5.9217 6.2946 6.2946 6.3236 6.3236 6.7677 6.7677 8.1977 8.1977 11.5025 11.5025 12.0032 12.0032 12.2109 12.2109 13.4169 13.4169 13.9682 13.9682 k = 0.5892 0.3614-0.2017 ( 3807 PWs) bands (ev): -13.4711 -13.4711 -13.3474 -13.3474 -5.9626 -5.9626 -3.4568 -3.4568 -3.3280 -3.3280 -2.2284 -2.2284 -1.0202 -1.0202 -0.6096 -0.6096 0.0515 0.0515 0.5293 0.5293 0.5535 0.5535 2.3197 2.3197 2.6463 2.6463 2.8424 2.8424 3.4152 3.4152 3.9192 3.9192 4.0090 4.0090 4.7003 4.7003 4.8876 4.8876 5.9351 5.9351 6.2714 6.2714 6.3522 6.3522 6.8193 6.8193 8.1394 8.1394 11.5526 11.5526 12.0551 12.0551 12.1206 12.1206 13.3182 13.3182 13.9578 13.9578 k = 0.5966 0.3659-0.1878 ( 3796 PWs) bands (ev): -13.4752 -13.4752 -13.3432 -13.3432 -5.9563 -5.9563 -3.4388 -3.4388 -3.3275 -3.3275 -2.2838 -2.2838 -0.9840 -0.9840 -0.6416 -0.6416 0.0081 0.0081 0.5203 0.5203 0.6403 0.6403 2.2918 2.2918 2.6004 2.6004 2.8595 2.8595 3.4218 3.4218 3.9205 3.9205 4.0094 4.0094 4.7229 4.7229 4.9359 4.9359 5.9474 5.9474 6.2094 6.2094 6.4134 6.4134 6.8780 6.8780 8.0781 8.0781 11.6067 11.6067 12.0312 12.0312 12.1074 12.1074 13.2194 13.2194 13.9315 13.9315 k = 0.6040 0.3705-0.1740 ( 3790 PWs) bands (ev): -13.4794 -13.4794 -13.3389 -13.3389 -5.9498 -5.9498 -3.4195 -3.4195 -3.3260 -3.3260 -2.3378 -2.3378 -0.9468 -0.9468 -0.6754 -0.6754 -0.0371 -0.0371 0.5109 0.5109 0.7285 0.7285 2.2592 2.2592 2.5534 2.5534 2.8814 2.8814 3.4297 3.4297 3.9245 3.9245 4.0116 4.0116 4.7440 4.7440 4.9843 4.9843 5.9591 5.9591 6.1400 6.1400 6.4771 6.4771 6.9414 6.9414 8.0141 8.0141 11.6646 11.6646 11.9441 11.9441 12.1587 12.1587 13.1215 13.1215 13.8943 13.8943 k = 0.6114 0.3750-0.1601 ( 3786 PWs) bands (ev): -13.4839 -13.4839 -13.3344 -13.3344 -5.9432 -5.9432 -3.3989 -3.3989 -3.3235 -3.3235 -2.3903 -2.3903 -0.9087 -0.9087 -0.7110 -0.7110 -0.0836 -0.0836 0.5012 0.5012 0.8167 0.8167 2.2243 2.2243 2.5055 2.5055 2.9057 2.9057 3.4399 3.4399 3.9309 3.9309 4.0156 4.0156 4.7635 4.7635 5.0329 5.0329 5.9703 5.9703 6.0645 6.0645 6.5421 6.5421 7.0074 7.0074 7.9478 7.9478 11.7261 11.7261 11.8603 11.8603 12.2078 12.2078 13.0253 13.0253 13.8532 13.8532 k = 0.6189 0.3796-0.1462 ( 3782 PWs) bands (ev): -13.4885 -13.4885 -13.3297 -13.3297 -5.9366 -5.9366 -3.3771 -3.3771 -3.3198 -3.3198 -2.4409 -2.4409 -0.8698 -0.8698 -0.7481 -0.7481 -0.1312 -0.1312 0.4913 0.4913 0.9036 0.9036 2.1892 2.1892 2.4572 2.4572 2.9302 2.9302 3.4531 3.4531 3.9395 3.9395 4.0213 4.0213 4.7810 4.7810 5.0815 5.0815 5.9812 5.9812 5.9839 5.9839 6.6075 6.6075 7.0748 7.0748 7.8792 7.8792 11.7807 11.7807 11.7912 11.7912 12.2533 12.2533 12.9318 12.9318 13.8134 13.8134 k = 0.6189 0.3796-0.1462 ( 3782 PWs) bands (ev): -13.4885 -13.4885 -13.3297 -13.3297 -5.9366 -5.9366 -3.3771 -3.3771 -3.3198 -3.3198 -2.4409 -2.4409 -0.8698 -0.8698 -0.7481 -0.7481 -0.1312 -0.1312 0.4913 0.4913 0.9036 0.9036 2.1892 2.1892 2.4572 2.4572 2.9302 2.9302 3.4531 3.4531 3.9395 3.9395 4.0213 4.0213 4.7810 4.7810 5.0815 5.0815 5.9812 5.9812 5.9839 5.9839 6.6075 6.6075 7.0748 7.0748 7.8792 7.8792 11.7807 11.7807 11.7912 11.7912 12.2533 12.2533 12.9318 12.9318 13.8134 13.8134 k = 0.6141 0.3767-0.1315 ( 3779 PWs) bands (ev): -13.4947 -13.4947 -13.3234 -13.3234 -5.9186 -5.9186 -3.3578 -3.3578 -3.3414 -3.3414 -2.4753 -2.4753 -0.8288 -0.8288 -0.8003 -0.8003 -0.2177 -0.2177 0.4874 0.4874 0.9695 0.9695 2.1863 2.1863 2.4794 2.4794 3.0014 3.0014 3.4966 3.4966 3.9567 3.9567 4.0003 4.0003 4.7597 4.7597 5.0417 5.0417 5.9038 5.9038 6.0172 6.0172 6.6640 6.6640 7.1568 7.1568 7.8679 7.8679 11.7046 11.7046 11.7966 11.7966 12.2275 12.2275 12.8788 12.8788 13.8020 13.8020 k = 0.6094 0.3737-0.1167 ( 3775 PWs) bands (ev): -13.5010 -13.5010 -13.3170 -13.3170 -5.9001 -5.9001 -3.3619 -3.3619 -3.3364 -3.3364 -2.5093 -2.5093 -0.8572 -0.8572 -0.7846 -0.7846 -0.3051 -0.3051 0.4846 0.4846 1.0366 1.0366 2.1794 2.1794 2.4999 2.4999 3.0766 3.0766 3.5402 3.5402 3.9752 3.9752 3.9795 3.9795 4.7394 4.7394 5.0022 5.0022 5.8214 5.8214 6.0555 6.0555 6.7189 6.7189 7.2369 7.2369 7.8581 7.8581 11.6257 11.6257 11.8053 11.8053 12.2029 12.2029 12.8282 12.8282 13.7918 13.7918 k = 0.6046 0.3708-0.1020 ( 3777 PWs) bands (ev): -13.5075 -13.5075 -13.3104 -13.3104 -5.8810 -5.8810 -3.3808 -3.3808 -3.3135 -3.3135 -2.5425 -2.5425 -0.9155 -0.9155 -0.7434 -0.7434 -0.3896 -0.3896 0.4829 0.4829 1.1049 1.1049 2.1687 2.1687 2.5187 2.5187 3.1545 3.1545 3.5834 3.5834 3.9562 3.9562 3.9975 3.9975 4.7202 4.7202 4.9630 4.9630 5.7374 5.7374 6.0958 6.0958 6.7719 6.7719 7.3127 7.3127 7.8513 7.8513 11.5447 11.5447 11.8170 11.8170 12.1793 12.1793 12.7803 12.7803 13.7831 13.7831 k = 0.5999 0.3679-0.0873 ( 3777 PWs) bands (ev): -13.5140 -13.5140 -13.3039 -13.3039 -5.8616 -5.8616 -3.3984 -3.3984 -3.2887 -3.2887 -2.5744 -2.5744 -0.9763 -0.9763 -0.7128 -0.7128 -0.4622 -0.4622 0.4821 0.4821 1.1743 1.1743 2.1545 2.1545 2.5360 2.5360 3.2340 3.2340 3.6260 3.6260 3.9340 3.9340 4.0201 4.0201 4.7022 4.7022 4.9243 4.9243 5.6524 5.6524 6.1381 6.1381 6.8231 6.8231 7.3815 7.3815 7.8501 7.8501 11.4624 11.4624 11.8311 11.8311 12.1566 12.1566 12.7352 12.7352 13.7761 13.7761 k = 0.5951 0.3650-0.0725 ( 3771 PWs) bands (ev): -13.5204 -13.5204 -13.2974 -13.2974 -5.8419 -5.8419 -3.4145 -3.4145 -3.2621 -3.2621 -2.6047 -2.6047 -1.0391 -1.0391 -0.7166 -0.7166 -0.4989 -0.4989 0.4820 0.4820 1.2447 1.2447 2.1367 2.1367 2.5517 2.5517 3.3143 3.3143 3.6675 3.6675 3.9120 3.9120 4.0439 4.0439 4.6855 4.6855 4.8862 4.8862 5.5669 5.5669 6.1821 6.1821 6.8722 6.8722 7.4396 7.4396 7.8578 7.8578 11.3794 11.3794 11.8474 11.8474 12.1348 12.1348 12.6934 12.6934 13.7708 13.7708 k = 0.5903 0.3621-0.0578 ( 3775 PWs) bands (ev): -13.5267 -13.5267 -13.2910 -13.2910 -5.8222 -5.8222 -3.4291 -3.4291 -3.2338 -3.2338 -2.6329 -2.6329 -1.1036 -1.1036 -0.7705 -0.7705 -0.4839 -0.4839 0.4826 0.4826 1.3161 1.3161 2.1155 2.1155 2.5660 2.5660 3.3946 3.3946 3.7069 3.7069 3.8912 3.8912 4.0684 4.0684 4.6702 4.6702 4.8488 4.8488 5.4816 5.4816 6.2275 6.2275 6.9191 6.9191 7.4833 7.4833 7.8778 7.8778 11.2963 11.2963 11.8650 11.8650 12.1139 12.1139 12.6551 12.6551 13.7668 13.7668 k = 0.5856 0.3592-0.0431 ( 3773 PWs) bands (ev): -13.5328 -13.5328 -13.2848 -13.2848 -5.8023 -5.8023 -3.4424 -3.4424 -3.2037 -3.2037 -2.6587 -2.6587 -1.1694 -1.1694 -0.8516 -0.8516 -0.4399 -0.4399 0.4837 0.4837 1.3883 1.3883 2.0908 2.0908 2.5790 2.5790 3.4743 3.4743 3.7416 3.7416 3.8740 3.8740 4.0935 4.0935 4.6560 4.6560 4.8122 4.8122 5.3971 5.3971 6.2741 6.2741 6.9638 6.9638 7.5105 7.5105 7.9119 7.9119 11.2136 11.2136 11.8835 11.8835 12.0939 12.0939 12.6206 12.6206 13.7641 13.7641 k = 0.5808 0.3563-0.0283 ( 3771 PWs) bands (ev): -13.5388 -13.5388 -13.2788 -13.2788 -5.7826 -5.7826 -3.4544 -3.4544 -3.1719 -3.1719 -2.6817 -2.6817 -1.2362 -1.2362 -0.9423 -0.9423 -0.3846 -0.3846 0.4853 0.4853 1.4615 1.4615 2.0628 2.0628 2.5907 2.5907 3.5527 3.5527 3.7643 3.7643 3.8674 3.8674 4.1187 4.1187 4.6431 4.6431 4.7765 4.7765 5.3141 5.3141 6.3215 6.3215 7.0062 7.0062 7.5228 7.5228 7.9584 7.9584 11.1320 11.1320 11.9020 11.9020 12.0748 12.0748 12.5906 12.5906 13.7624 13.7624 k = 0.5761 0.3533-0.0136 ( 3759 PWs) bands (ev): -13.5445 -13.5445 -13.2730 -13.2730 -5.7632 -5.7632 -3.4651 -3.4651 -3.1384 -3.1384 -2.7014 -2.7014 -1.3038 -1.3038 -1.0364 -1.0364 -0.3241 -0.3241 0.4872 0.4872 1.5354 1.5354 2.0315 2.0315 2.6014 2.6014 3.6294 3.6294 3.7648 3.7648 3.8810 3.8810 4.1437 4.1437 4.6314 4.6314 4.7420 4.7420 5.2331 5.2331 6.3694 6.3694 7.0463 7.0463 7.5238 7.5238 8.0135 8.0135 11.0518 11.0518 11.9197 11.9197 12.0566 12.0566 12.5653 12.5653 13.7614 13.7614 k = 0.5713 0.3504 0.0011 ( 3763 PWs) bands (ev): -13.5500 -13.5500 -13.2674 -13.2674 -5.7442 -5.7442 -3.4747 -3.4747 -3.1032 -3.1032 -2.7176 -2.7176 -1.3719 -1.3719 -1.1316 -1.1316 -0.2606 -0.2606 0.4894 0.4894 1.6101 1.6101 1.9970 1.9970 2.6109 2.6109 3.7036 3.7036 3.7474 3.7474 3.9104 3.9104 4.1684 4.1684 4.6206 4.6206 4.7087 4.7087 5.1549 5.1549 6.4174 6.4174 7.0839 7.0839 7.5175 7.5175 8.0732 8.0732 10.9736 10.9736 11.9356 11.9356 12.0395 12.0395 12.5455 12.5455 13.7610 13.7610 k = 0.5666 0.3475 0.0159 ( 3759 PWs) bands (ev): -13.5553 -13.5553 -13.2622 -13.2622 -5.7257 -5.7257 -3.4834 -3.4834 -3.0664 -3.0664 -2.7298 -2.7298 -1.4404 -1.4404 -1.2267 -1.2267 -0.1954 -0.1954 0.4918 0.4918 1.6855 1.6855 1.9597 1.9597 2.6196 2.6196 3.7200 3.7200 3.7760 3.7760 3.9460 3.9460 4.1923 4.1923 4.6106 4.6106 4.6767 4.6767 5.0801 5.0801 6.4651 6.4651 7.1192 7.1192 7.5066 7.5066 8.1344 8.1344 10.8978 10.8978 11.9489 11.9489 12.0234 12.0234 12.5315 12.5315 13.7609 13.7609 k = 0.5618 0.3446 0.0306 ( 3755 PWs) bands (ev): -13.5603 -13.5603 -13.2572 -13.2572 -5.7078 -5.7078 -3.4912 -3.4912 -3.0279 -3.0279 -2.7378 -2.7378 -1.5090 -1.5090 -1.3212 -1.3212 -0.1291 -0.1291 0.4944 0.4944 1.7612 1.7612 1.9201 1.9201 2.6275 2.6275 3.6879 3.6879 3.8443 3.8443 3.9838 3.9838 4.2154 4.2154 4.6013 4.6013 4.6461 4.6461 5.0094 5.0094 6.5121 6.5121 7.1521 7.1521 7.4931 7.4931 8.1952 8.1952 10.8248 10.8248 11.9589 11.9589 12.0083 12.0083 12.5236 12.5236 13.7610 13.7610 k = 0.5571 0.3417 0.0453 ( 3753 PWs) bands (ev): -13.5649 -13.5649 -13.2525 -13.2525 -5.6907 -5.6907 -3.4983 -3.4983 -2.9878 -2.9878 -2.7413 -2.7413 -1.5775 -1.5775 -1.4145 -1.4145 -0.0623 -0.0623 0.4969 0.4969 1.8339 1.8339 1.8818 1.8818 2.6346 2.6346 3.6510 3.6510 3.9089 3.9089 4.0225 4.0225 4.2375 4.2375 4.5925 4.5925 4.6172 4.6172 4.9436 4.9436 6.5580 6.5580 7.1826 7.1826 7.4782 7.4782 8.2541 8.2541 10.7552 10.7552 11.9651 11.9651 11.9944 11.9944 12.5218 12.5218 13.7611 13.7611 k = 0.5523 0.3388 0.0601 ( 3753 PWs) bands (ev): -13.5693 -13.5693 -13.2482 -13.2482 -5.6745 -5.6745 -3.5048 -3.5048 -2.9462 -2.9462 -2.7400 -2.7400 -1.6457 -1.6457 -1.5063 -1.5063 0.0045 0.0045 0.4995 0.4995 1.8280 1.8280 1.9207 1.9207 2.6410 2.6410 3.6094 3.6094 3.9691 3.9691 4.0617 4.0617 4.2583 4.2583 4.5837 4.5837 4.5900 4.5900 4.8831 4.8831 6.6022 6.6022 7.2107 7.2107 7.4628 7.4628 8.3103 8.3103 10.6892 10.6892 11.9676 11.9676 11.9815 11.9815 12.5257 12.5257 13.7613 13.7613 k = 0.5475 0.3358 0.0748 ( 3749 PWs) bands (ev): -13.5733 -13.5733 -13.2441 -13.2441 -5.6594 -5.6594 -3.5108 -3.5108 -2.9031 -2.9031 -2.7338 -2.7338 -1.7135 -1.7135 -1.5963 -1.5963 0.0708 0.0708 0.5020 0.5020 1.7833 1.7833 1.9975 1.9975 2.6467 2.6467 3.5631 3.5631 4.0243 4.0243 4.1015 4.1015 4.2777 4.2777 4.5646 4.5646 4.5746 4.5746 4.8285 4.8285 6.6444 6.6444 7.2364 7.2364 7.4475 7.4475 8.3630 8.3630 10.6273 10.6273 11.9667 11.9667 11.9698 11.9698 12.5343 12.5343 13.7613 13.7613 k = 0.5428 0.3329 0.0895 ( 3753 PWs) bands (ev): -13.5770 -13.5770 -13.2405 -13.2405 -5.6453 -5.6453 -3.5164 -3.5164 -2.8586 -2.8586 -2.7225 -2.7225 -1.7807 -1.7807 -1.6841 -1.6841 0.1361 0.1361 0.5044 0.5044 1.7363 1.7363 2.0760 2.0760 2.6519 2.6519 3.5122 3.5122 4.0738 4.0738 4.1418 4.1418 4.2956 4.2956 4.5412 4.5412 4.5648 4.5648 4.7803 4.7803 6.6841 6.6841 7.2597 7.2597 7.4328 7.4328 8.4118 8.4118 10.5699 10.5699 11.9592 11.9592 11.9629 11.9629 12.5468 12.5468 13.7612 13.7612 k = 0.5380 0.3300 0.1042 ( 3746 PWs) bands (ev): -13.5803 -13.5803 -13.2371 -13.2371 -5.6325 -5.6325 -3.5215 -3.5215 -2.8127 -2.8127 -2.7062 -2.7062 -1.8470 -1.8470 -1.7694 -1.7694 0.1997 0.1997 0.5067 0.5067 1.6886 1.6886 2.1550 2.1550 2.6565 2.6565 3.4568 3.4568 4.1178 4.1178 4.1822 4.1822 4.3119 4.3119 4.5200 4.5200 4.5538 4.5538 4.7387 4.7387 6.7209 6.7209 7.2807 7.2807 7.4189 7.4189 8.4563 8.4563 10.5174 10.5174 11.9498 11.9498 11.9571 11.9571 12.5618 12.5618 13.7611 13.7611 k = 0.5333 0.3271 0.1190 ( 3751 PWs) bands (ev): -13.5832 -13.5832 -13.2342 -13.2342 -5.6209 -5.6209 -3.5263 -3.5263 -2.7656 -2.7656 -2.6849 -2.6849 -1.9124 -1.9124 -1.8519 -1.8519 0.2609 0.2609 0.5088 0.5088 1.6413 1.6413 2.2342 2.2342 2.6605 2.6605 3.3974 3.3974 4.1569 4.1569 4.2215 4.2215 4.3265 4.3265 4.5009 4.5009 4.5409 4.5409 4.7040 4.7040 6.7543 6.7543 7.2993 7.2993 7.4061 7.4061 8.4962 8.4962 10.4701 10.4701 11.9415 11.9415 11.9500 11.9500 12.5782 12.5782 13.7608 13.7608 k = 0.5285 0.3242 0.1337 ( 3757 PWs) bands (ev): -13.5858 -13.5858 -13.2316 -13.2316 -5.6108 -5.6108 -3.5306 -3.5306 -2.7175 -2.7175 -2.6589 -2.6589 -1.9765 -1.9765 -1.9313 -1.9313 0.3187 0.3187 0.5107 0.5107 1.5953 1.5953 2.3132 2.3132 2.6640 2.6640 3.3344 3.3344 4.1921 4.1921 4.2583 4.2583 4.3393 4.3393 4.4841 4.4841 4.5259 4.5259 4.6760 4.6760 6.7841 6.7841 7.3155 7.3155 7.3946 7.3946 8.5311 8.5311 10.4284 10.4284 11.9343 11.9343 11.9425 11.9425 12.5947 12.5947 13.7604 13.7604 k = 0.5238 0.3213 0.1484 ( 3765 PWs) bands (ev): -13.5880 -13.5880 -13.2295 -13.2295 -5.6021 -5.6021 -3.5344 -3.5344 -2.6687 -2.6687 -2.6284 -2.6284 -2.0389 -2.0389 -2.0069 -2.0069 0.3720 0.3720 0.5124 0.5124 1.5519 1.5519 2.3913 2.3913 2.6669 2.6669 3.2690 3.2690 4.2241 4.2241 4.2914 4.2914 4.3503 4.3503 4.4698 4.4698 4.5090 4.5090 4.6543 4.6543 6.8099 6.8099 7.3293 7.3293 7.3846 7.3846 8.5610 8.5610 10.3925 10.3925 11.9283 11.9283 11.9350 11.9350 12.6104 12.6104 13.7600 13.7600 k = 0.5190 0.3183 0.1632 ( 3765 PWs) bands (ev): -13.5898 -13.5898 -13.2277 -13.2277 -5.5949 -5.5949 -3.5376 -3.5376 -2.6198 -2.6198 -2.5943 -2.5943 -2.0992 -2.0992 -2.0780 -2.0780 0.4194 0.4194 0.5139 0.5139 1.5125 1.5125 2.4675 2.4675 2.6694 2.6694 3.2025 3.2025 4.2532 4.2532 4.3199 4.3199 4.3595 4.3595 4.4579 4.4579 4.4907 4.4907 4.6379 4.6379 6.8314 6.8314 7.3407 7.3407 7.3763 7.3763 8.5857 8.5857 10.3628 10.3628 11.9233 11.9233 11.9282 11.9282 12.6245 12.6245 13.7596 13.7596 k = 0.5143 0.3154 0.1779 ( 3767 PWs) bands (ev): -13.5912 -13.5912 -13.2263 -13.2263 -5.5893 -5.5893 -3.5402 -3.5402 -2.5719 -2.5719 -2.5576 -2.5576 -2.1562 -2.1562 -2.1432 -2.1432 0.4590 0.4590 0.5153 0.5153 1.4788 1.4788 2.5400 2.5400 2.6712 2.6712 3.1371 3.1371 4.2792 4.2792 4.3430 4.3430 4.3669 4.3669 4.4486 4.4486 4.4721 4.4721 4.6259 4.6259 6.8483 6.8483 7.3495 7.3495 7.3697 7.3697 8.6050 8.6050 10.3394 10.3394 11.9195 11.9195 11.9225 11.9225 12.6361 12.6361 13.7592 13.7592 k = 0.5095 0.3125 0.1926 ( 3776 PWs) bands (ev): -13.5922 -13.5922 -13.2253 -13.2253 -5.5852 -5.5852 -3.5421 -3.5421 -2.5273 -2.5273 -2.5210 -2.5210 -2.2079 -2.2079 -2.1996 -2.1996 0.4887 0.4887 0.5169 0.5169 1.4527 1.4527 2.6049 2.6049 2.6726 2.6726 3.0770 3.0770 4.3011 4.3011 4.3596 4.3596 4.3728 4.3728 4.4419 4.4419 4.4549 4.4549 4.6176 4.6176 6.8605 6.8605 7.3559 7.3559 7.3649 7.3649 8.6189 8.6189 10.3226 10.3226 11.9168 11.9168 11.9183 11.9183 12.6448 12.6448 13.7589 13.7589 k = 0.5048 0.3096 0.2074 ( 3774 PWs) bands (ev): -13.5928 -13.5928 -13.2246 -13.2246 -5.5828 -5.5828 -3.5432 -3.5432 -2.4924 -2.4924 -2.4899 -2.4899 -2.2488 -2.2488 -2.2410 -2.2410 0.5054 0.5054 0.5199 0.5199 1.4362 1.4362 2.6542 2.6542 2.6734 2.6734 3.0306 3.0306 4.3168 4.3168 4.3690 4.3690 4.3775 4.3775 4.4378 4.4378 4.4417 4.4417 4.6127 4.6127 6.8679 6.8679 7.3598 7.3598 7.3620 7.3620 8.6272 8.6272 10.3124 10.3124 11.9151 11.9151 11.9157 11.9157 12.6502 12.6502 13.7587 13.7587 k = 0.5000 0.3067 0.2221 ( 3772 PWs) bands (ev): -13.5930 -13.5930 -13.2244 -13.2244 -5.5820 -5.5820 -3.5436 -3.5436 -2.4786 -2.4786 -2.4760 -2.4760 -2.2656 -2.2656 -2.2572 -2.2572 0.5095 0.5095 0.5225 0.5225 1.4305 1.4305 2.6736 2.6736 2.6737 2.6737 3.0120 3.0120 4.3227 4.3227 4.3716 4.3716 4.3797 4.3797 4.4364 4.4364 4.4366 4.4366 4.6111 4.6111 6.8704 6.8704 7.3609 7.3609 7.3612 7.3612 8.6300 8.6300 10.3090 10.3090 11.9144 11.9144 11.9149 11.9149 12.6520 12.6520 13.7587 13.7587 k = 0.5000-0.2543-0.1841 ( 3796 PWs) bands (ev): -13.5260 -13.5260 -13.2983 -13.2983 -6.2323 -6.2323 -3.1293 -3.1293 -2.7463 -2.7463 -1.8820 -1.8820 -1.0169 -1.0169 -0.6867 -0.6867 0.2266 0.2266 0.5094 0.5094 0.7037 0.7037 0.8238 0.8238 1.6489 1.6489 2.5910 2.5910 3.4211 3.4211 3.9506 3.9506 4.3450 4.3450 5.1358 5.1358 5.5787 5.5787 5.7217 5.7217 5.9501 5.9501 6.5919 6.5919 6.8271 6.8271 7.1450 7.1450 12.3244 12.3244 12.4697 12.4697 12.6536 12.6536 13.7419 13.7419 14.6791 14.6791 k = 0.5085-0.2433-0.1762 ( 3795 PWs) bands (ev): -13.5259 -13.5259 -13.2984 -13.2984 -6.2318 -6.2318 -3.1299 -3.1299 -2.7459 -2.7459 -1.8883 -1.8883 -1.0142 -1.0142 -0.6863 -0.6863 0.2298 0.2298 0.5091 0.5091 0.6957 0.6957 0.8335 0.8335 1.6508 1.6508 2.5881 2.5881 3.4200 3.4200 3.9503 3.9503 4.3458 4.3458 5.1377 5.1377 5.5769 5.5769 5.7234 5.7234 5.9517 5.9517 6.5949 6.5949 6.8264 6.8264 7.1417 7.1417 12.3059 12.3059 12.4891 12.4891 12.6518 12.6518 13.7419 13.7419 14.6741 14.6741 k = 0.5170-0.2324-0.1683 ( 3793 PWs) bands (ev): -13.5256 -13.5256 -13.2986 -13.2986 -6.2302 -6.2302 -3.1319 -3.1319 -2.7447 -2.7447 -1.9068 -1.9068 -1.0066 -1.0066 -0.6852 -0.6852 0.2392 0.2392 0.5084 0.5084 0.6768 0.6768 0.8578 0.8578 1.6564 1.6564 2.5796 2.5796 3.4168 3.4168 3.9493 3.9493 4.3482 4.3482 5.1433 5.1433 5.5718 5.5718 5.7284 5.7284 5.9567 5.9567 6.6038 6.6038 6.8243 6.8243 7.1318 7.1318 12.2661 12.2661 12.5318 12.5318 12.6466 12.6466 13.7418 13.7418 14.6592 14.6592 k = 0.5255-0.2214-0.1603 ( 3793 PWs) bands (ev): -13.5251 -13.5251 -13.2991 -13.2991 -6.2275 -6.2275 -3.1351 -3.1351 -2.7427 -2.7427 -1.9365 -1.9365 -0.9949 -0.9949 -0.6835 -0.6835 0.2545 0.2545 0.5073 0.5073 0.6538 0.6538 0.8898 0.8898 1.6658 1.6658 2.5656 2.5656 3.4116 3.4116 3.9478 3.9478 4.3519 4.3519 5.1527 5.1527 5.5637 5.5637 5.7362 5.7362 5.9652 5.9652 6.6185 6.6185 6.8206 6.8206 7.1154 7.1154 12.2200 12.2200 12.5825 12.5825 12.6384 12.6384 13.7415 13.7415 14.6351 14.6351 k = 0.5340-0.2105-0.1524 ( 3790 PWs) bands (ev): -13.5243 -13.5243 -13.2998 -13.2998 -6.2238 -6.2238 -3.1395 -3.1395 -2.7398 -2.7398 -1.9756 -1.9756 -0.9805 -0.9805 -0.6811 -0.6811 0.2747 0.2747 0.5066 0.5066 0.6300 0.6300 0.9262 0.9262 1.6790 1.6790 2.5465 2.5465 3.4047 3.4047 3.9457 3.9457 4.3565 4.3565 5.1657 5.1657 5.5528 5.5528 5.7461 5.7461 5.9776 5.9776 6.6388 6.6388 6.8154 6.8154 7.0927 7.0927 12.1726 12.1726 12.6277 12.6277 12.6362 12.6362 13.7412 13.7412 14.6025 14.6025 k = 0.5425-0.1995-0.1445 ( 3786 PWs) bands (ev): -13.5233 -13.5233 -13.3006 -13.3006 -6.2191 -6.2191 -3.1451 -3.1451 -2.7362 -2.7362 -2.0226 -2.0226 -0.9647 -0.9647 -0.6783 -0.6783 0.2983 0.2983 0.5072 0.5072 0.6067 0.6067 0.9658 0.9658 1.6959 1.6959 2.5228 2.5228 3.3964 3.3964 3.9431 3.9431 4.3615 4.3615 5.1821 5.1821 5.5396 5.5396 5.7575 5.7575 5.9944 5.9944 6.6642 6.6642 6.8082 6.8082 7.0642 7.0642 12.1258 12.1258 12.6153 12.6153 12.6909 12.6909 13.7405 13.7405 14.5626 14.5626 k = 0.5509-0.1886-0.1366 ( 3790 PWs) bands (ev): -13.5222 -13.5222 -13.3016 -13.3016 -6.2133 -6.2133 -3.1519 -3.1519 -2.7317 -2.7317 -2.0759 -2.0759 -0.9487 -0.9487 -0.6751 -0.6751 0.3228 0.3228 0.5109 0.5109 0.5845 0.5845 1.0080 1.0080 1.7166 1.7166 2.4948 2.4948 3.3869 3.3869 3.9401 3.9401 4.3665 4.3665 5.2019 5.2019 5.5241 5.5241 5.7698 5.7698 6.0158 6.0158 6.6945 6.6945 6.7987 6.7987 7.0304 7.0304 12.0803 12.0803 12.6019 12.6019 12.7453 12.7453 13.7396 13.7396 14.5167 14.5167 k = 0.5594-0.1776-0.1286 ( 3794 PWs) bands (ev): -13.5208 -13.5208 -13.3028 -13.3028 -6.2066 -6.2066 -3.1596 -3.1596 -2.7265 -2.7265 -2.1339 -2.1339 -0.9334 -0.9334 -0.6716 -0.6716 0.3446 0.3446 0.5208 0.5208 0.5638 0.5638 1.0526 1.0526 1.7410 1.7410 2.4634 2.4634 3.3768 3.3768 3.9368 3.9368 4.3708 4.3708 5.2249 5.2249 5.5065 5.5065 5.7823 5.7823 6.0424 6.0424 6.7292 6.7292 6.7861 6.7861 6.9925 6.9925 12.0368 12.0368 12.5884 12.5884 12.7988 12.7988 13.7383 13.7383 14.4660 14.4660 k = 0.5679-0.1666-0.1207 ( 3789 PWs) bands (ev): -13.5192 -13.5192 -13.3042 -13.3042 -6.1989 -6.1989 -3.1683 -3.1683 -2.7205 -2.7205 -2.1954 -2.1954 -0.9192 -0.9192 -0.6682 -0.6682 0.3593 0.3593 0.5391 0.5391 0.5460 0.5460 1.0994 1.0994 1.7690 1.7690 2.4292 2.4292 3.3662 3.3662 3.9334 3.9334 4.3741 4.3741 5.2508 5.2508 5.4869 5.4869 5.7947 5.7947 6.0745 6.0745 6.7672 6.7672 6.7695 6.7695 6.9521 6.9521 11.9954 11.9954 12.5755 12.5755 12.8504 12.8504 13.7366 13.7366 14.4122 14.4122 k = 0.5764-0.1557-0.1128 ( 3789 PWs) bands (ev): -13.5175 -13.5175 -13.3056 -13.3056 -6.1903 -6.1903 -3.1778 -3.1778 -2.7139 -2.7139 -2.2595 -2.2595 -0.9066 -0.9066 -0.6648 -0.6648 0.3648 0.3648 0.5270 0.5270 0.5713 0.5713 1.1483 1.1483 1.8004 1.8004 2.3931 2.3931 3.3555 3.3555 3.9298 3.9298 4.3760 4.3760 5.2794 5.2794 5.4654 5.4654 5.8066 5.8066 6.1120 6.1120 6.7444 6.7444 6.8099 6.8099 6.9122 6.9122 11.9564 11.9564 12.5639 12.5639 12.8993 12.8993 13.7344 13.7344 14.3281 14.3281 k = 0.5849-0.1447-0.1048 ( 3782 PWs) bands (ev): -13.5157 -13.5157 -13.3073 -13.3073 -6.1808 -6.1808 -3.1880 -3.1880 -2.7065 -2.7065 -2.3251 -2.3251 -0.8957 -0.8957 -0.6617 -0.6617 0.3619 0.3619 0.5115 0.5115 0.6108 0.6108 1.1995 1.1995 1.8351 1.8351 2.3561 2.3561 3.3451 3.3451 3.9263 3.9263 4.3760 4.3760 5.3106 5.3106 5.4420 5.4420 5.8180 5.8180 6.1549 6.1549 6.7094 6.7094 6.8549 6.8549 6.8763 6.8763 11.9202 11.9202 12.5542 12.5542 12.9443 12.9443 13.7317 13.7317 14.1590 14.1590 k = 0.5934-0.1338-0.0969 ( 3791 PWs) bands (ev): -13.5136 -13.5136 -13.3090 -13.3090 -6.1704 -6.1704 -3.1989 -3.1989 -2.6986 -2.6986 -2.3916 -2.3916 -0.8865 -0.8865 -0.6591 -0.6591 0.3529 0.3529 0.4978 0.4978 0.6562 0.6562 1.2527 1.2527 1.8724 1.8724 2.3193 2.3193 3.3353 3.3353 3.9229 3.9229 4.3739 4.3739 5.3441 5.3441 5.4167 5.4167 5.8288 5.8288 6.2029 6.2029 6.6619 6.6619 6.8469 6.8469 6.9024 6.9024 11.8868 11.8868 12.5469 12.5469 12.9842 12.9842 13.7286 13.7286 13.9913 13.9913 k = 0.6019-0.1228-0.0890 ( 3788 PWs) bands (ev): -13.5115 -13.5115 -13.3109 -13.3109 -6.1592 -6.1592 -3.2103 -3.2103 -2.6904 -2.6904 -2.4581 -2.4581 -0.8790 -0.8790 -0.6570 -0.6570 0.3394 0.3394 0.4860 0.4860 0.7047 0.7047 1.3082 1.3082 1.9116 1.9116 2.2844 2.2844 3.3262 3.3262 3.9197 3.9197 4.3696 4.3696 5.3795 5.3795 5.3897 5.3897 5.8391 5.8391 6.2554 6.2554 6.6024 6.6024 6.8237 6.8237 6.9518 6.9518 11.8563 11.8563 12.5424 12.5424 13.0175 13.0175 13.7254 13.7254 13.8259 13.8259 k = 0.6104-0.1119-0.0810 ( 3790 PWs) bands (ev): -13.5093 -13.5093 -13.3128 -13.3128 -6.1473 -6.1473 -3.2220 -3.2220 -2.6825 -2.6825 -2.5234 -2.5234 -0.8729 -0.8729 -0.6557 -0.6557 0.3224 0.3224 0.4760 0.4760 0.7542 0.7542 1.3658 1.3658 1.9507 1.9507 2.2539 2.2539 3.3183 3.3183 3.9168 3.9168 4.3628 4.3628 5.3608 5.3608 5.4169 5.4169 5.8490 5.8490 6.3121 6.3121 6.5333 6.5333 6.8049 6.8049 7.0027 7.0027 11.8291 11.8291 12.5410 12.5410 13.0422 13.0422 13.6632 13.6632 13.7224 13.7224 k = 0.6189-0.1009-0.0731 ( 3781 PWs) bands (ev): -13.5070 -13.5070 -13.3148 -13.3148 -6.1347 -6.1347 -3.2341 -3.2341 -2.6776 -2.6776 -2.5843 -2.5843 -0.8682 -0.8682 -0.6553 -0.6553 0.3028 0.3028 0.4678 0.4678 0.8031 0.8031 1.4257 1.4257 1.9863 1.9863 2.2321 2.2321 3.3115 3.3115 3.9143 3.9143 4.3537 4.3537 5.3304 5.3304 5.4556 5.4556 5.8585 5.8585 6.3722 6.3722 6.4568 6.4568 6.7886 6.7886 7.0547 7.0547 11.8051 11.8051 12.5428 12.5428 13.0566 13.0566 13.5036 13.5036 13.7200 13.7200 k = 0.6274-0.0900-0.0652 ( 3782 PWs) bands (ev): -13.5046 -13.5046 -13.3169 -13.3169 -6.1214 -6.1214 -3.2463 -3.2463 -2.6908 -2.6908 -2.6257 -2.6257 -0.8647 -0.8647 -0.6558 -0.6558 0.2809 0.2809 0.4614 0.4614 0.8497 0.8497 1.4877 1.4877 2.0122 2.0122 2.2259 2.2259 3.3063 3.3063 3.9122 3.9122 4.3420 4.3420 5.2983 5.2983 5.4956 5.4956 5.8677 5.8677 6.3744 6.3744 6.4350 6.4350 6.7737 6.7737 7.1075 7.1075 11.7845 11.7845 12.5480 12.5480 13.0590 13.0590 13.3477 13.3477 13.7184 13.7184 k = 0.6359-0.0790-0.0572 ( 3782 PWs) bands (ev): -13.5023 -13.5023 -13.3189 -13.3189 -6.1077 -6.1077 -3.2586 -3.2586 -2.7388 -2.7388 -2.6303 -2.6303 -0.8622 -0.8622 -0.6573 -0.6573 0.2570 0.2570 0.4567 0.4567 0.8927 0.8927 1.5518 1.5518 2.0228 2.0228 2.2418 2.2418 3.3028 3.3028 3.9106 3.9106 4.3279 4.3279 5.2647 5.2647 5.5365 5.5365 5.8767 5.8767 6.2872 6.2872 6.4998 6.4998 6.7597 6.7597 7.1608 7.1608 11.7672 11.7672 12.5565 12.5565 13.0483 13.0483 13.1959 13.1959 13.7177 13.7177 k = 0.6443-0.0681-0.0493 ( 3782 PWs) bands (ev): -13.4999 -13.4999 -13.3209 -13.3209 -6.0934 -6.0934 -3.2708 -3.2708 -2.7977 -2.7977 -2.6217 -2.6217 -0.8606 -0.8606 -0.6598 -0.6598 0.2312 0.2312 0.4536 0.4536 0.9308 0.9308 1.6182 1.6182 2.0201 2.0201 2.2784 2.2784 3.3011 3.3011 3.9095 3.9095 4.3115 4.3115 5.2297 5.2297 5.5780 5.5780 5.8856 5.8856 6.1960 6.1960 6.5658 6.5658 6.7462 6.7462 7.2145 7.2145 11.7535 11.7535 12.5681 12.5681 13.0241 13.0241 13.0488 13.0488 13.7176 13.7176 k = 0.6528-0.0571-0.0414 ( 3780 PWs) bands (ev): -13.4976 -13.4976 -13.3229 -13.3229 -6.0788 -6.0788 -3.2829 -3.2829 -2.8575 -2.8575 -2.6097 -2.6097 -0.8596 -0.8596 -0.6634 -0.6634 0.2038 0.2038 0.4521 0.4521 0.9629 0.9629 1.6866 1.6866 2.0121 2.0121 2.3284 2.3284 3.3014 3.3014 3.9090 3.9090 4.2928 4.2928 5.1933 5.1933 5.6197 5.6197 5.8944 5.8944 6.1014 6.1014 6.6320 6.6320 6.7330 6.7330 7.2685 7.2685 11.7432 11.7432 12.5818 12.5818 12.9077 12.9077 12.9872 12.9872 13.7176 13.7176 k = 0.6613-0.0462-0.0334 ( 3784 PWs) bands (ev): -13.4955 -13.4955 -13.3248 -13.3248 -6.0639 -6.0639 -3.2947 -3.2947 -2.9160 -2.9160 -2.5963 -2.5963 -0.8594 -0.8594 -0.6681 -0.6681 0.1750 0.1750 0.4519 0.4519 0.9879 0.9879 1.7570 1.7570 2.0049 2.0049 2.3862 2.3862 3.3040 3.3040 3.9091 3.9091 4.2720 4.2720 5.1556 5.1556 5.6614 5.6614 5.9031 5.9031 6.0040 6.0040 6.6974 6.6974 6.7201 6.7201 7.3230 7.3230 11.7362 11.7362 12.5942 12.5942 12.7764 12.7764 12.9388 12.9388 13.7173 13.7173 k = 0.6698-0.0352-0.0255 ( 3784 PWs) bands (ev): -13.4934 -13.4934 -13.3265 -13.3265 -6.0488 -6.0488 -3.3063 -3.3063 -2.9726 -2.9726 -2.5817 -2.5817 -0.8596 -0.8596 -0.6738 -0.6738 0.1448 0.1448 0.4530 0.4530 1.0051 1.0051 1.8295 1.8295 2.0022 2.0022 2.4483 2.4483 3.3089 3.3089 3.9098 3.9098 4.2491 4.2491 5.1168 5.1168 5.7025 5.7025 5.9045 5.9045 5.9118 5.9118 6.7073 6.7073 6.7609 6.7609 7.3782 7.3782 11.7325 11.7325 12.5781 12.5781 12.6821 12.6821 12.8806 12.8806 13.7172 13.7172 k = 0.6783-0.0243-0.0176 ( 3780 PWs) bands (ev): -13.4916 -13.4916 -13.3281 -13.3281 -6.0337 -6.0337 -3.3173 -3.3173 -3.0269 -3.0269 -2.5663 -2.5663 -0.8602 -0.8602 -0.6804 -0.6804 0.1135 0.1135 0.4552 0.4552 1.0142 1.0142 1.9037 1.9037 2.0056 2.0056 2.5129 2.5129 3.3164 3.3164 3.9112 3.9112 4.2244 4.2244 5.0769 5.0769 5.7415 5.7415 5.8047 5.8047 5.9205 5.9205 6.6946 6.6946 6.8211 6.8211 7.4346 7.4346 11.7319 11.7319 12.4830 12.4830 12.6759 12.6759 12.8143 12.8143 13.7178 13.7178 k = 0.6868-0.0133-0.0096 ( 3782 PWs) bands (ev): -13.4900 -13.4900 -13.3294 -13.3294 -6.0186 -6.0186 -3.3280 -3.3280 -3.0785 -3.0785 -2.5502 -2.5502 -0.8611 -0.8611 -0.6879 -0.6879 0.0810 0.0810 0.4584 0.4584 1.0153 1.0153 1.9797 1.9797 2.0157 2.0157 2.5784 2.5784 3.3267 3.3267 3.9133 3.9133 4.1981 4.1981 5.0361 5.0361 5.6974 5.6974 5.7855 5.7855 5.9292 5.9292 6.6821 6.6821 6.8770 6.8770 7.4925 7.4925 11.7341 11.7341 12.3677 12.3677 12.6992 12.6992 12.7416 12.7416 13.7201 13.7201 k = 0.6953-0.0024-0.0017 ( 3771 PWs) bands (ev): -13.4887 -13.4887 -13.3304 -13.3304 -6.0037 -6.0037 -3.3380 -3.3380 -3.1272 -3.1272 -2.5334 -2.5334 -0.8623 -0.8623 -0.6963 -0.6963 0.0475 0.0475 0.4625 0.4625 1.0090 1.0090 2.0325 2.0325 2.0572 2.0572 2.6436 2.6436 3.3399 3.3399 3.9160 3.9160 4.1704 4.1704 4.9945 4.9945 5.5946 5.5946 5.8227 5.8227 5.9379 5.9379 6.6697 6.6697 6.9275 6.9275 7.5524 7.5524 11.7387 11.7387 12.2546 12.2546 12.6639 12.6639 12.7297 12.7297 13.7249 13.7249 k = 0.7038 0.0086 0.0062 ( 3773 PWs) bands (ev): -13.4878 -13.4878 -13.3311 -13.3311 -5.9891 -5.9891 -3.3473 -3.3473 -3.1728 -3.1728 -2.5160 -2.5160 -0.8637 -0.8637 -0.7054 -0.7054 0.0132 0.0132 0.4673 0.4673 0.9963 0.9963 2.0554 2.0554 2.1360 2.1360 2.7075 2.7075 3.3562 3.3562 3.9194 3.9194 4.1415 4.1415 4.9523 4.9523 5.4906 5.4906 5.8590 5.8590 5.9468 5.9468 6.6574 6.6574 6.9714 6.9714 7.6145 7.6145 11.7454 11.7454 12.1471 12.1471 12.5827 12.5827 12.7643 12.7643 13.7332 13.7332 k = 0.7123 0.0195 0.0142 ( 3782 PWs) bands (ev): -13.4873 -13.4873 -13.3314 -13.3314 -5.9750 -5.9750 -3.3560 -3.3560 -3.2151 -3.2151 -2.4980 -2.4980 -0.8652 -0.8652 -0.7152 -0.7152 -0.0219 -0.0219 0.4726 0.4726 0.9782 0.9782 2.0835 2.0835 2.2157 2.2157 2.7690 2.7690 3.3757 3.3757 3.9234 3.9234 4.1118 4.1118 4.9095 4.9095 5.3867 5.3867 5.8933 5.8933 5.9557 5.9557 6.6451 6.6451 7.0083 7.0083 7.6787 7.6787 11.7536 11.7536 12.0464 12.0464 12.4996 12.4996 12.8022 12.8022 13.7457 13.7457 k = 0.7208 0.0305 0.0221 ( 3779 PWs) bands (ev): -13.4872 -13.4872 -13.3313 -13.3313 -5.9614 -5.9614 -3.3639 -3.3639 -3.2537 -3.2537 -2.4794 -2.4794 -0.8668 -0.8668 -0.7257 -0.7257 -0.0578 -0.0578 0.4785 0.4785 0.9561 0.9561 2.1158 2.1158 2.2962 2.2962 2.8272 2.8272 3.3985 3.3985 3.9281 3.9281 4.0816 4.0816 4.8666 4.8666 5.2834 5.2834 5.9253 5.9253 5.9648 5.9648 6.6328 6.6328 7.0378 7.0378 7.7447 7.7447 11.7627 11.7627 11.9532 11.9532 12.4158 12.4158 12.8429 12.8429 13.7630 13.7630 k = 0.7293 0.0415 0.0300 ( 3783 PWs) bands (ev): -13.4876 -13.4876 -13.3308 -13.3308 -5.9486 -5.9486 -3.3710 -3.3710 -3.2887 -3.2887 -2.4604 -2.4604 -0.8683 -0.8683 -0.7367 -0.7367 -0.0942 -0.0942 0.4847 0.4847 0.9309 0.9309 2.1513 2.1513 2.3769 2.3769 2.8811 2.8811 3.4245 3.4245 3.9335 3.9335 4.0512 4.0512 4.8236 4.8236 5.1814 5.1814 5.9547 5.9547 5.9742 5.9742 6.6203 6.6203 7.0599 7.0599 7.8118 7.8118 11.7721 11.7721 11.8680 11.8680 12.3331 12.3331 12.8862 12.8862 13.7855 13.7855 k = 0.7377 0.0524 0.0380 ( 3782 PWs) bands (ev): -13.4885 -13.4885 -13.3297 -13.3297 -5.9366 -5.9366 -3.3771 -3.3771 -3.3198 -3.3198 -2.4409 -2.4409 -0.8698 -0.8698 -0.7481 -0.7481 -0.1312 -0.1312 0.4913 0.4913 0.9036 0.9036 2.1892 2.1892 2.4572 2.4572 2.9302 2.9302 3.4531 3.4531 3.9395 3.9395 4.0213 4.0213 4.7810 4.7810 5.0815 5.0815 5.9812 5.9812 5.9839 5.9839 6.6075 6.6075 7.0748 7.0748 7.8792 7.8792 11.7807 11.7807 11.7912 11.7912 12.2533 12.2533 12.9318 12.9318 13.8134 13.8134 Writing output data file B6O.save init_run : 0.12s CPU 0.22s WALL ( 1 calls) electrons : 162.97s CPU 165.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 162.96s CPU 165.35s 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 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 272 calls) cegterg : 143.94s CPU 145.80s WALL ( 414 calls) Called by sum_band: Called by *egterg: h_psi : 92.18s CPU 93.72s WALL ( 6686 calls) s_psi : 4.20s CPU 4.20s WALL ( 6686 calls) g_psi : 0.15s CPU 0.19s WALL ( 6000 calls) cdiaghg : 50.87s CPU 51.53s WALL ( 6272 calls) cegterg:over : 4.88s CPU 4.94s WALL ( 6000 calls) cegterg:upda : 4.29s CPU 4.21s WALL ( 6000 calls) cegterg:last : 2.37s CPU 2.35s WALL ( 958 calls) cdiaghg:chol : 2.85s CPU 2.85s WALL ( 6272 calls) cdiaghg:inve : 1.82s CPU 2.04s WALL ( 6272 calls) cdiaghg:para : 3.23s CPU 3.15s WALL ( 12544 calls) Called by h_psi: h_psi:vloc : 80.83s CPU 82.01s WALL ( 6686 calls) h_psi:vnl : 11.21s CPU 11.52s WALL ( 6686 calls) add_vuspsi : 4.84s CPU 5.07s WALL ( 6686 calls) General routines calbec : 6.36s CPU 6.42s WALL ( 6686 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 75.80s CPU 76.84s WALL ( 758504 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.17s WALL ( 544 calls) Parallel routines fft_scatter : 24.27s CPU 24.62s WALL ( 758527 calls) PWSCF : 2m56.15s CPU 3m11.26s WALL This run was terminated on: 13:54:51 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=