Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:26:48 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: ./BeCl2.save/ file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 250 93 25 11021 2487 364 Max 252 94 26 11022 2513 367 Sum 9023 3365 931 396767 90053 13183 bravais-lattice index = 14 lattice parameter (alat) = 11.6272 a.u. unit-cell volume = 914.1136 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.627191 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.639153 celldm(5)= -0.631101 celldm(6)= 0.270254 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.270254 0.962789 0.000000 ) a(3) = ( -0.631101 -0.486707 0.604011 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.280699 0.818666 ) b(2) = ( 0.000000 1.038649 0.836935 ) b(3) = ( 0.000000 0.000000 1.655600 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 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 Cl 7.00 35.45300 Cl( 1.00) Be 4.00 9.01220 Be( 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= 341 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( -0.0082313 0.0108599 0.0137780), wk = 0.0029326 k( 3) = ( -0.0164625 0.0217198 0.0275561), wk = 0.0029326 k( 4) = ( -0.0246938 0.0325796 0.0413341), wk = 0.0029326 k( 5) = ( -0.0329250 0.0434395 0.0551121), wk = 0.0029326 k( 6) = ( -0.0411562 0.0542994 0.0688902), wk = 0.0029326 k( 7) = ( -0.0493875 0.0651593 0.0826682), wk = 0.0029326 k( 8) = ( -0.0576187 0.0760191 0.0964462), wk = 0.0029326 k( 9) = ( -0.0658500 0.0868790 0.1102243), wk = 0.0029326 k( 10) = ( -0.0740812 0.0977389 0.1240023), wk = 0.0029326 k( 11) = ( -0.0823125 0.1085988 0.1377803), wk = 0.0029326 k( 12) = ( -0.0905437 0.1194586 0.1515584), wk = 0.0029326 k( 13) = ( -0.0987750 0.1303185 0.1653364), wk = 0.0029326 k( 14) = ( -0.1070062 0.1411784 0.1791144), wk = 0.0029326 k( 15) = ( -0.1152375 0.1520383 0.1928925), wk = 0.0029326 k( 16) = ( -0.1234687 0.1628982 0.2066705), wk = 0.0029326 k( 17) = ( -0.1317000 0.1737580 0.2204485), wk = 0.0029326 k( 18) = ( -0.1399312 0.1846179 0.2342265), wk = 0.0029326 k( 19) = ( -0.1481625 0.1954778 0.2480046), wk = 0.0029326 k( 20) = ( -0.1563937 0.2063377 0.2617826), wk = 0.0029326 k( 21) = ( -0.1646250 0.2171975 0.2755607), wk = 0.0029326 k( 22) = ( -0.1728562 0.2280574 0.2893387), wk = 0.0029326 k( 23) = ( -0.1810875 0.2389173 0.3031167), wk = 0.0029326 k( 24) = ( -0.1893187 0.2497772 0.3168947), wk = 0.0029326 k( 25) = ( -0.1975500 0.2606371 0.3306728), wk = 0.0029326 k( 26) = ( -0.2057812 0.2714969 0.3444508), wk = 0.0029326 k( 27) = ( -0.2140125 0.2823568 0.3582288), wk = 0.0029326 k( 28) = ( -0.2222437 0.2932167 0.3720069), wk = 0.0029326 k( 29) = ( -0.2304750 0.3040766 0.3857849), wk = 0.0029326 k( 30) = ( -0.2387062 0.3149365 0.3995629), wk = 0.0029326 k( 31) = ( -0.2469375 0.3257963 0.4133410), wk = 0.0029326 k( 32) = ( -0.2551687 0.3366562 0.4271190), wk = 0.0029326 k( 33) = ( -0.2633999 0.3475161 0.4408970), wk = 0.0029326 k( 34) = ( -0.2716312 0.3583760 0.4546751), wk = 0.0029326 k( 35) = ( -0.2798624 0.3692358 0.4684531), wk = 0.0029326 k( 36) = ( -0.2880937 0.3800957 0.4822311), wk = 0.0029326 k( 37) = ( -0.2963249 0.3909556 0.4960092), wk = 0.0029326 k( 38) = ( -0.3045562 0.4018155 0.5097872), wk = 0.0029326 k( 39) = ( -0.3127874 0.4126753 0.5235652), wk = 0.0029326 k( 40) = ( -0.3210187 0.4235352 0.5373433), wk = 0.0029326 k( 41) = ( -0.3210187 0.4235352 0.5373433), wk = 0.0029326 k( 42) = ( -0.3129552 0.4128967 0.5505459), wk = 0.0029326 k( 43) = ( -0.3048917 0.4022582 0.5637484), wk = 0.0029326 k( 44) = ( -0.2968283 0.3916196 0.5769510), wk = 0.0029326 k( 45) = ( -0.2887648 0.3809811 0.5901536), wk = 0.0029326 k( 46) = ( -0.2807013 0.3703426 0.6033562), wk = 0.0029326 k( 47) = ( -0.2726378 0.3597040 0.6165588), wk = 0.0029326 k( 48) = ( -0.2645744 0.3490655 0.6297613), wk = 0.0029326 k( 49) = ( -0.2565109 0.3384270 0.6429639), wk = 0.0029326 k( 50) = ( -0.2484474 0.3277885 0.6561665), wk = 0.0029326 k( 51) = ( -0.2403839 0.3171499 0.6693691), wk = 0.0029326 k( 52) = ( -0.2323205 0.3065114 0.6825717), wk = 0.0029326 k( 53) = ( -0.2242570 0.2958729 0.6957742), wk = 0.0029326 k( 54) = ( -0.2161935 0.2852343 0.7089768), wk = 0.0029326 k( 55) = ( -0.2081300 0.2745958 0.7221794), wk = 0.0029326 k( 56) = ( -0.2000665 0.2639573 0.7353820), wk = 0.0029326 k( 57) = ( -0.1920031 0.2533188 0.7485846), wk = 0.0029326 k( 58) = ( -0.1839396 0.2426802 0.7617871), wk = 0.0029326 k( 59) = ( -0.1758761 0.2320417 0.7749897), wk = 0.0029326 k( 60) = ( -0.1678126 0.2214032 0.7881923), wk = 0.0029326 k( 61) = ( -0.1597492 0.2107647 0.8013949), wk = 0.0029326 k( 62) = ( -0.1516857 0.2001261 0.8145975), wk = 0.0029326 k( 63) = ( -0.1436222 0.1894876 0.8278001), wk = 0.0029326 k( 64) = ( -0.1436222 0.1894876 0.8278001), wk = 0.0029326 k( 65) = ( -0.1325743 0.1749116 0.8278001), wk = 0.0029326 k( 66) = ( -0.1215265 0.1603357 0.8278001), wk = 0.0029326 k( 67) = ( -0.1104786 0.1457597 0.8278000), wk = 0.0029326 k( 68) = ( -0.0994308 0.1311837 0.8278000), wk = 0.0029326 k( 69) = ( -0.0883829 0.1166077 0.8278000), wk = 0.0029326 k( 70) = ( -0.0773350 0.1020318 0.8278000), wk = 0.0029326 k( 71) = ( -0.0662872 0.0874558 0.8278000), wk = 0.0029326 k( 72) = ( -0.0552393 0.0728798 0.8278000), wk = 0.0029326 k( 73) = ( -0.0441915 0.0583039 0.8278000), wk = 0.0029326 k( 74) = ( -0.0331436 0.0437279 0.8278000), wk = 0.0029326 k( 75) = ( -0.0220957 0.0291519 0.8278000), wk = 0.0029326 k( 76) = ( -0.0110479 0.0145760 0.8278000), wk = 0.0029326 k( 77) = ( 0.0000000 0.0000000 0.8278000), wk = 0.0029326 k( 78) = ( 0.0000000 0.0000000 0.8278000), wk = 0.0029326 k( 79) = ( 0.0147059 0.0111463 0.8278000), wk = 0.0029326 k( 80) = ( 0.0294118 0.0222927 0.8278000), wk = 0.0029326 k( 81) = ( 0.0441177 0.0334390 0.8278000), wk = 0.0029326 k( 82) = ( 0.0588235 0.0445853 0.8278000), wk = 0.0029326 k( 83) = ( 0.0735294 0.0557316 0.8278000), wk = 0.0029326 k( 84) = ( 0.0882353 0.0668780 0.8278000), wk = 0.0029326 k( 85) = ( 0.1029412 0.0780243 0.8278000), wk = 0.0029326 k( 86) = ( 0.1176471 0.0891706 0.8278000), wk = 0.0029326 k( 87) = ( 0.1323529 0.1003170 0.8278000), wk = 0.0029326 k( 88) = ( 0.1470588 0.1114633 0.8278000), wk = 0.0029326 k( 89) = ( 0.1617647 0.1226096 0.8278000), wk = 0.0029326 k( 90) = ( 0.1764706 0.1337560 0.8278000), wk = 0.0029326 k( 91) = ( 0.1911765 0.1449023 0.8278000), wk = 0.0029326 k( 92) = ( 0.2058823 0.1560486 0.8278000), wk = 0.0029326 k( 93) = ( 0.2205882 0.1671949 0.8278000), wk = 0.0029326 k( 94) = ( 0.2352941 0.1783413 0.8278000), wk = 0.0029326 k( 95) = ( 0.2500000 0.1894876 0.8278000), wk = 0.0029326 k( 96) = ( 0.2500000 0.1894876 0.8278000), wk = 0.0029326 k( 97) = ( 0.2416667 0.2004822 0.8141556), wk = 0.0029326 k( 98) = ( 0.2333333 0.2114767 0.8005112), wk = 0.0029326 k( 99) = ( 0.2250000 0.2224713 0.7868668), wk = 0.0029326 k( 100) = ( 0.2166667 0.2334658 0.7732224), wk = 0.0029326 k( 101) = ( 0.2083333 0.2444604 0.7595779), wk = 0.0029326 k( 102) = ( 0.2000000 0.2554550 0.7459335), wk = 0.0029326 k( 103) = ( 0.1916667 0.2664495 0.7322891), wk = 0.0029326 k( 104) = ( 0.1833333 0.2774441 0.7186446), wk = 0.0029326 k( 105) = ( 0.1750000 0.2884387 0.7050002), wk = 0.0029326 k( 106) = ( 0.1666667 0.2994332 0.6913558), wk = 0.0029326 k( 107) = ( 0.1583333 0.3104278 0.6777114), wk = 0.0029326 k( 108) = ( 0.1500000 0.3214224 0.6640669), wk = 0.0029326 k( 109) = ( 0.1416667 0.3324169 0.6504225), wk = 0.0029326 k( 110) = ( 0.1333333 0.3434115 0.6367781), wk = 0.0029326 k( 111) = ( 0.1250000 0.3544060 0.6231337), wk = 0.0029326 k( 112) = ( 0.1166667 0.3654006 0.6094892), wk = 0.0029326 k( 113) = ( 0.1083333 0.3763952 0.5958448), wk = 0.0029326 k( 114) = ( 0.1000000 0.3873897 0.5822004), wk = 0.0029326 k( 115) = ( 0.0916667 0.3983843 0.5685560), wk = 0.0029326 k( 116) = ( 0.0833333 0.4093789 0.5549115), wk = 0.0029326 k( 117) = ( 0.0750000 0.4203734 0.5412671), wk = 0.0029326 k( 118) = ( 0.0666667 0.4313680 0.5276227), wk = 0.0029326 k( 119) = ( 0.0583333 0.4423626 0.5139782), wk = 0.0029326 k( 120) = ( 0.0500000 0.4533571 0.5003338), wk = 0.0029326 k( 121) = ( 0.0416667 0.4643517 0.4866894), wk = 0.0029326 k( 122) = ( 0.0333333 0.4753462 0.4730450), wk = 0.0029326 k( 123) = ( 0.0250000 0.4863408 0.4594006), wk = 0.0029326 k( 124) = ( 0.0166667 0.4973354 0.4457561), wk = 0.0029326 k( 125) = ( 0.0083333 0.5083299 0.4321117), wk = 0.0029326 k( 126) = ( 0.0000000 0.5193245 0.4184673), wk = 0.0029326 k( 127) = ( 0.0000000 0.5193245 0.4184673), wk = 0.0029326 k( 128) = ( 0.0168957 0.5243660 0.4122106), wk = 0.0029326 k( 129) = ( 0.0337914 0.5294076 0.4059540), wk = 0.0029326 k( 130) = ( 0.0506872 0.5344491 0.3996974), wk = 0.0029326 k( 131) = ( 0.0675829 0.5394907 0.3934408), wk = 0.0029326 k( 132) = ( 0.0844786 0.5445322 0.3871841), wk = 0.0029326 k( 133) = ( 0.1013743 0.5495737 0.3809275), wk = 0.0029326 k( 134) = ( 0.1182700 0.5546153 0.3746709), wk = 0.0029326 k( 135) = ( 0.1351658 0.5596568 0.3684142), wk = 0.0029326 k( 136) = ( 0.1520615 0.5646983 0.3621576), wk = 0.0029326 k( 137) = ( 0.1689572 0.5697399 0.3559010), wk = 0.0029326 k( 138) = ( 0.1858529 0.5747814 0.3496443), wk = 0.0029326 k( 139) = ( 0.2027487 0.5798230 0.3433877), wk = 0.0029326 k( 140) = ( 0.2196444 0.5848645 0.3371311), wk = 0.0029326 k( 141) = ( 0.2365401 0.5899061 0.3308744), wk = 0.0029326 k( 142) = ( 0.2534358 0.5949476 0.3246178), wk = 0.0029326 k( 143) = ( 0.2703315 0.5999891 0.3183612), wk = 0.0029326 k( 144) = ( 0.2872272 0.6050307 0.3121045), wk = 0.0029326 k( 145) = ( 0.3041230 0.6100722 0.3058479), wk = 0.0029326 k( 146) = ( 0.3210187 0.6151138 0.2995913), wk = 0.0029326 k( 147) = ( 0.3210187 0.6151138 0.2995913), wk = 0.0029326 k( 148) = ( 0.3291542 0.6043802 0.2859735), wk = 0.0029326 k( 149) = ( 0.3372897 0.5936466 0.2723557), wk = 0.0029326 k( 150) = ( 0.3454252 0.5829130 0.2587379), wk = 0.0029326 k( 151) = ( 0.3535607 0.5721795 0.2451201), wk = 0.0029326 k( 152) = ( 0.3616963 0.5614459 0.2315024), wk = 0.0029326 k( 153) = ( 0.3698318 0.5507123 0.2178846), wk = 0.0029326 k( 154) = ( 0.3779673 0.5399788 0.2042668), wk = 0.0029326 k( 155) = ( 0.3861028 0.5292452 0.1906490), wk = 0.0029326 k( 156) = ( 0.3942383 0.5185116 0.1770312), wk = 0.0029326 k( 157) = ( 0.4023738 0.5077780 0.1634134), wk = 0.0029326 k( 158) = ( 0.4105093 0.4970445 0.1497956), wk = 0.0029326 k( 159) = ( 0.4186449 0.4863109 0.1361779), wk = 0.0029326 k( 160) = ( 0.4267804 0.4755773 0.1225601), wk = 0.0029326 k( 161) = ( 0.4349159 0.4648438 0.1089423), wk = 0.0029326 k( 162) = ( 0.4430514 0.4541102 0.0953245), wk = 0.0029326 k( 163) = ( 0.4511869 0.4433766 0.0817067), wk = 0.0029326 k( 164) = ( 0.4593224 0.4326431 0.0680889), wk = 0.0029326 k( 165) = ( 0.4674579 0.4219095 0.0544711), wk = 0.0029326 k( 166) = ( 0.4755935 0.4111759 0.0408534), wk = 0.0029326 k( 167) = ( 0.4837290 0.4004423 0.0272356), wk = 0.0029326 k( 168) = ( 0.4918645 0.3897088 0.0136178), wk = 0.0029326 k( 169) = ( 0.5000000 0.3789752 -0.0000000), wk = 0.0029326 k( 170) = ( 0.5000000 0.3789752 -0.0000000), wk = 0.0029326 k( 171) = ( 0.4848485 0.3674911 -0.0000000), wk = 0.0029326 k( 172) = ( 0.4696970 0.3560070 -0.0000000), wk = 0.0029326 k( 173) = ( 0.4545455 0.3445229 -0.0000000), wk = 0.0029326 k( 174) = ( 0.4393939 0.3330388 -0.0000000), wk = 0.0029326 k( 175) = ( 0.4242424 0.3215547 -0.0000000), wk = 0.0029326 k( 176) = ( 0.4090909 0.3100706 -0.0000000), wk = 0.0029326 k( 177) = ( 0.3939394 0.2985865 -0.0000000), wk = 0.0029326 k( 178) = ( 0.3787879 0.2871024 -0.0000000), wk = 0.0029326 k( 179) = ( 0.3636364 0.2756183 -0.0000000), wk = 0.0029326 k( 180) = ( 0.3484849 0.2641342 -0.0000000), wk = 0.0029326 k( 181) = ( 0.3333333 0.2526501 -0.0000000), wk = 0.0029326 k( 182) = ( 0.3181818 0.2411660 -0.0000000), wk = 0.0029326 k( 183) = ( 0.3030303 0.2296819 -0.0000000), wk = 0.0029326 k( 184) = ( 0.2878788 0.2181978 -0.0000000), wk = 0.0029326 k( 185) = ( 0.2727273 0.2067137 -0.0000000), wk = 0.0029326 k( 186) = ( 0.2575758 0.1952297 -0.0000000), wk = 0.0029326 k( 187) = ( 0.2424242 0.1837456 -0.0000000), wk = 0.0029326 k( 188) = ( 0.2272727 0.1722615 -0.0000000), wk = 0.0029326 k( 189) = ( 0.2121212 0.1607774 -0.0000000), wk = 0.0029326 k( 190) = ( 0.1969697 0.1492933 -0.0000000), wk = 0.0029326 k( 191) = ( 0.1818182 0.1378092 -0.0000000), wk = 0.0029326 k( 192) = ( 0.1666667 0.1263251 -0.0000000), wk = 0.0029326 k( 193) = ( 0.1515151 0.1148410 -0.0000000), wk = 0.0029326 k( 194) = ( 0.1363636 0.1033569 -0.0000000), wk = 0.0029326 k( 195) = ( 0.1212121 0.0918728 -0.0000000), wk = 0.0029326 k( 196) = ( 0.1060606 0.0803887 -0.0000000), wk = 0.0029326 k( 197) = ( 0.0909091 0.0689046 -0.0000000), wk = 0.0029326 k( 198) = ( 0.0757576 0.0574205 -0.0000000), wk = 0.0029326 k( 199) = ( 0.0606061 0.0459364 -0.0000000), wk = 0.0029326 k( 200) = ( 0.0454546 0.0344523 -0.0000000), wk = 0.0029326 k( 201) = ( 0.0303030 0.0229682 -0.0000000), wk = 0.0029326 k( 202) = ( 0.0151515 0.0114841 -0.0000000), wk = 0.0029326 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 205) = ( 0.0082719 -0.0109135 0.0135438), wk = 0.0029326 k( 206) = ( 0.0165438 -0.0218270 0.0270876), wk = 0.0029326 k( 207) = ( 0.0248157 -0.0327405 0.0406314), wk = 0.0029326 k( 208) = ( 0.0330875 -0.0436540 0.0541753), wk = 0.0029326 k( 209) = ( 0.0413594 -0.0545674 0.0677191), wk = 0.0029326 k( 210) = ( 0.0496313 -0.0654809 0.0812629), wk = 0.0029326 k( 211) = ( 0.0579032 -0.0763944 0.0948067), wk = 0.0029326 k( 212) = ( 0.0661751 -0.0873079 0.1083505), wk = 0.0029326 k( 213) = ( 0.0744470 -0.0982214 0.1218943), wk = 0.0029326 k( 214) = ( 0.0827188 -0.1091349 0.1354381), wk = 0.0029326 k( 215) = ( 0.0909907 -0.1200484 0.1489820), wk = 0.0029326 k( 216) = ( 0.0992626 -0.1309619 0.1625258), wk = 0.0029326 k( 217) = ( 0.1075345 -0.1418754 0.1760696), wk = 0.0029326 k( 218) = ( 0.1158064 -0.1527889 0.1896134), wk = 0.0029326 k( 219) = ( 0.1240783 -0.1637024 0.2031572), wk = 0.0029326 k( 220) = ( 0.1323502 -0.1746159 0.2167010), wk = 0.0029326 k( 221) = ( 0.1406220 -0.1855293 0.2302448), wk = 0.0029326 k( 222) = ( 0.1488939 -0.1964428 0.2437887), wk = 0.0029326 k( 223) = ( 0.1571658 -0.2073563 0.2573325), wk = 0.0029326 k( 224) = ( 0.1654377 -0.2182698 0.2708763), wk = 0.0029326 k( 225) = ( 0.1737096 -0.2291833 0.2844201), wk = 0.0029326 k( 226) = ( 0.1819815 -0.2400968 0.2979639), wk = 0.0029326 k( 227) = ( 0.1902533 -0.2510103 0.3115077), wk = 0.0029326 k( 228) = ( 0.1985252 -0.2619238 0.3250515), wk = 0.0029326 k( 229) = ( 0.2067971 -0.2728373 0.3385954), wk = 0.0029326 k( 230) = ( 0.2150690 -0.2837508 0.3521392), wk = 0.0029326 k( 231) = ( 0.2233409 -0.2946643 0.3656830), wk = 0.0029326 k( 232) = ( 0.2316128 -0.3055778 0.3792268), wk = 0.0029326 k( 233) = ( 0.2398847 -0.3164912 0.3927706), wk = 0.0029326 k( 234) = ( 0.2481566 -0.3274047 0.4063144), wk = 0.0029326 k( 235) = ( 0.2564284 -0.3383182 0.4198582), wk = 0.0029326 k( 236) = ( 0.2647003 -0.3492317 0.4334021), wk = 0.0029326 k( 237) = ( 0.2729722 -0.3601452 0.4469459), wk = 0.0029326 k( 238) = ( 0.2812441 -0.3710587 0.4604897), wk = 0.0029326 k( 239) = ( 0.2895160 -0.3819722 0.4740335), wk = 0.0029326 k( 240) = ( 0.2977879 -0.3928857 0.4875773), wk = 0.0029326 k( 241) = ( 0.3060597 -0.4037992 0.5011211), wk = 0.0029326 k( 242) = ( 0.3143316 -0.4147127 0.5146650), wk = 0.0029326 k( 243) = ( 0.3226035 -0.4256261 0.5282088), wk = 0.0029326 k( 244) = ( 0.3226035 -0.4256261 0.5282088), wk = 0.0029326 k( 245) = ( 0.3319402 -0.4106116 0.5219521), wk = 0.0029326 k( 246) = ( 0.3412768 -0.3955970 0.5156955), wk = 0.0029326 k( 247) = ( 0.3506135 -0.3805824 0.5094389), wk = 0.0029326 k( 248) = ( 0.3599501 -0.3655679 0.5031822), wk = 0.0029326 k( 249) = ( 0.3692868 -0.3505533 0.4969256), wk = 0.0029326 k( 250) = ( 0.3786235 -0.3355387 0.4906690), wk = 0.0029326 k( 251) = ( 0.3879601 -0.3205241 0.4844123), wk = 0.0029326 k( 252) = ( 0.3972968 -0.3055096 0.4781557), wk = 0.0029326 k( 253) = ( 0.4066334 -0.2904950 0.4718991), wk = 0.0029326 k( 254) = ( 0.4159701 -0.2754804 0.4656425), wk = 0.0029326 k( 255) = ( 0.4253067 -0.2604659 0.4593858), wk = 0.0029326 k( 256) = ( 0.4346434 -0.2454513 0.4531292), wk = 0.0029326 k( 257) = ( 0.4439801 -0.2304367 0.4468726), wk = 0.0029326 k( 258) = ( 0.4533167 -0.2154221 0.4406159), wk = 0.0029326 k( 259) = ( 0.4626534 -0.2004076 0.4343593), wk = 0.0029326 k( 260) = ( 0.4719900 -0.1853930 0.4281027), wk = 0.0029326 k( 261) = ( 0.4813267 -0.1703784 0.4218460), wk = 0.0029326 k( 262) = ( 0.4906633 -0.1553639 0.4155894), wk = 0.0029326 k( 263) = ( 0.5000000 -0.1403493 0.4093328), wk = 0.0029326 k( 264) = ( 0.5000000 -0.1403493 0.4093328), wk = 0.0029326 k( 265) = ( 0.4919355 -0.1297094 0.4228317), wk = 0.0029326 k( 266) = ( 0.4838710 -0.1190695 0.4363307), wk = 0.0029326 k( 267) = ( 0.4758064 -0.1084296 0.4498296), wk = 0.0029326 k( 268) = ( 0.4677419 -0.0977897 0.4633285), wk = 0.0029326 k( 269) = ( 0.4596774 -0.0871498 0.4768275), wk = 0.0029326 k( 270) = ( 0.4516129 -0.0765099 0.4903264), wk = 0.0029326 k( 271) = ( 0.4435484 -0.0658700 0.5038254), wk = 0.0029326 k( 272) = ( 0.4354839 -0.0552301 0.5173243), wk = 0.0029326 k( 273) = ( 0.4274193 -0.0445902 0.5308233), wk = 0.0029326 k( 274) = ( 0.4193548 -0.0339503 0.5443222), wk = 0.0029326 k( 275) = ( 0.4112903 -0.0233104 0.5578212), wk = 0.0029326 k( 276) = ( 0.4032258 -0.0126705 0.5713201), wk = 0.0029326 k( 277) = ( 0.3951613 -0.0020306 0.5848191), wk = 0.0029326 k( 278) = ( 0.3870968 0.0086093 0.5983180), wk = 0.0029326 k( 279) = ( 0.3790323 0.0192492 0.6118169), wk = 0.0029326 k( 280) = ( 0.3709677 0.0298891 0.6253159), wk = 0.0029326 k( 281) = ( 0.3629032 0.0405290 0.6388148), wk = 0.0029326 k( 282) = ( 0.3548387 0.0511689 0.6523138), wk = 0.0029326 k( 283) = ( 0.3467742 0.0618088 0.6658127), wk = 0.0029326 k( 284) = ( 0.3387097 0.0724487 0.6793117), wk = 0.0029326 k( 285) = ( 0.3306452 0.0830886 0.6928106), wk = 0.0029326 k( 286) = ( 0.3225807 0.0937285 0.7063095), wk = 0.0029326 k( 287) = ( 0.3145161 0.1043684 0.7198085), wk = 0.0029326 k( 288) = ( 0.3064516 0.1150083 0.7333074), wk = 0.0029326 k( 289) = ( 0.2983871 0.1256482 0.7468064), wk = 0.0029326 k( 290) = ( 0.2903226 0.1362881 0.7603053), wk = 0.0029326 k( 291) = ( 0.2822581 0.1469280 0.7738043), wk = 0.0029326 k( 292) = ( 0.2741936 0.1575679 0.7873032), wk = 0.0029326 k( 293) = ( 0.2661290 0.1682078 0.8008022), wk = 0.0029326 k( 294) = ( 0.2580645 0.1788477 0.8143011), wk = 0.0029326 k( 295) = ( 0.2500000 0.1894876 0.8278000), wk = 0.0029326 k( 296) = ( 0.1436222 -0.1894876 0.8278000), wk = 0.0029326 k( 297) = ( 0.1517577 -0.2002212 0.8141823), wk = 0.0029326 k( 298) = ( 0.1598932 -0.2109547 0.8005645), wk = 0.0029326 k( 299) = ( 0.1680288 -0.2216883 0.7869467), wk = 0.0029326 k( 300) = ( 0.1761643 -0.2324219 0.7733289), wk = 0.0029326 k( 301) = ( 0.1842998 -0.2431554 0.7597111), wk = 0.0029326 k( 302) = ( 0.1924353 -0.2538890 0.7460933), wk = 0.0029326 k( 303) = ( 0.2005708 -0.2646226 0.7324756), wk = 0.0029326 k( 304) = ( 0.2087063 -0.2753562 0.7188578), wk = 0.0029326 k( 305) = ( 0.2168418 -0.2860897 0.7052400), wk = 0.0029326 k( 306) = ( 0.2249773 -0.2968233 0.6916222), wk = 0.0029326 k( 307) = ( 0.2331129 -0.3075569 0.6780044), wk = 0.0029326 k( 308) = ( 0.2412484 -0.3182904 0.6643866), wk = 0.0029326 k( 309) = ( 0.2493839 -0.3290240 0.6507688), wk = 0.0029326 k( 310) = ( 0.2575194 -0.3397576 0.6371511), wk = 0.0029326 k( 311) = ( 0.2656549 -0.3504912 0.6235333), wk = 0.0029326 k( 312) = ( 0.2737904 -0.3612247 0.6099155), wk = 0.0029326 k( 313) = ( 0.2819259 -0.3719583 0.5962977), wk = 0.0029326 k( 314) = ( 0.2900615 -0.3826919 0.5826799), wk = 0.0029326 k( 315) = ( 0.2981970 -0.3934254 0.5690621), wk = 0.0029326 k( 316) = ( 0.3063325 -0.4041590 0.5554443), wk = 0.0029326 k( 317) = ( 0.3144680 -0.4148926 0.5418266), wk = 0.0029326 k( 318) = ( 0.3226035 -0.4256261 0.5282088), wk = 0.0029326 k( 319) = ( 0.6773965 0.1449276 0.2904568), wk = 0.0029326 k( 320) = ( 0.6693330 0.1555661 0.2772542), wk = 0.0029326 k( 321) = ( 0.6612695 0.1662046 0.2640516), wk = 0.0029326 k( 322) = ( 0.6532061 0.1768432 0.2508490), wk = 0.0029326 k( 323) = ( 0.6451426 0.1874817 0.2376465), wk = 0.0029326 k( 324) = ( 0.6370791 0.1981202 0.2244439), wk = 0.0029326 k( 325) = ( 0.6290156 0.2087587 0.2112413), wk = 0.0029326 k( 326) = ( 0.6209522 0.2193973 0.1980387), wk = 0.0029326 k( 327) = ( 0.6128887 0.2300358 0.1848361), wk = 0.0029326 k( 328) = ( 0.6048252 0.2406743 0.1716336), wk = 0.0029326 k( 329) = ( 0.5967617 0.2513129 0.1584310), wk = 0.0029326 k( 330) = ( 0.5886982 0.2619514 0.1452284), wk = 0.0029326 k( 331) = ( 0.5806348 0.2725899 0.1320258), wk = 0.0029326 k( 332) = ( 0.5725713 0.2832285 0.1188232), wk = 0.0029326 k( 333) = ( 0.5645078 0.2938670 0.1056206), wk = 0.0029326 k( 334) = ( 0.5564443 0.3045055 0.0924181), wk = 0.0029326 k( 335) = ( 0.5483809 0.3151440 0.0792155), wk = 0.0029326 k( 336) = ( 0.5403174 0.3257826 0.0660129), wk = 0.0029326 k( 337) = ( 0.5322539 0.3364211 0.0528103), wk = 0.0029326 k( 338) = ( 0.5241904 0.3470596 0.0396077), wk = 0.0029326 k( 339) = ( 0.5161269 0.3576982 0.0264052), wk = 0.0029326 k( 340) = ( 0.5080635 0.3683367 0.0132026), wk = 0.0029326 k( 341) = ( 0.5000000 0.3789752 -0.0000000), wk = 0.0029326 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( -0.0082313 0.0082313 0.0082313), wk = 0.0029326 k( 3) = ( -0.0164625 0.0164625 0.0164625), wk = 0.0029326 k( 4) = ( -0.0246938 0.0246938 0.0246938), wk = 0.0029326 k( 5) = ( -0.0329250 0.0329250 0.0329250), wk = 0.0029326 k( 6) = ( -0.0411562 0.0411562 0.0411562), wk = 0.0029326 k( 7) = ( -0.0493875 0.0493875 0.0493875), wk = 0.0029326 k( 8) = ( -0.0576187 0.0576187 0.0576187), wk = 0.0029326 k( 9) = ( -0.0658500 0.0658500 0.0658500), wk = 0.0029326 k( 10) = ( -0.0740812 0.0740812 0.0740812), wk = 0.0029326 k( 11) = ( -0.0823125 0.0823125 0.0823125), wk = 0.0029326 k( 12) = ( -0.0905437 0.0905437 0.0905437), wk = 0.0029326 k( 13) = ( -0.0987750 0.0987750 0.0987750), wk = 0.0029326 k( 14) = ( -0.1070062 0.1070062 0.1070062), wk = 0.0029326 k( 15) = ( -0.1152375 0.1152375 0.1152375), wk = 0.0029326 k( 16) = ( -0.1234687 0.1234687 0.1234687), wk = 0.0029326 k( 17) = ( -0.1317000 0.1317000 0.1317000), wk = 0.0029326 k( 18) = ( -0.1399312 0.1399312 0.1399312), wk = 0.0029326 k( 19) = ( -0.1481625 0.1481625 0.1481625), wk = 0.0029326 k( 20) = ( -0.1563937 0.1563937 0.1563937), wk = 0.0029326 k( 21) = ( -0.1646250 0.1646250 0.1646250), wk = 0.0029326 k( 22) = ( -0.1728562 0.1728562 0.1728562), wk = 0.0029326 k( 23) = ( -0.1810875 0.1810875 0.1810875), wk = 0.0029326 k( 24) = ( -0.1893187 0.1893187 0.1893187), wk = 0.0029326 k( 25) = ( -0.1975500 0.1975500 0.1975500), wk = 0.0029326 k( 26) = ( -0.2057812 0.2057812 0.2057812), wk = 0.0029326 k( 27) = ( -0.2140125 0.2140125 0.2140125), wk = 0.0029326 k( 28) = ( -0.2222437 0.2222437 0.2222437), wk = 0.0029326 k( 29) = ( -0.2304750 0.2304750 0.2304750), wk = 0.0029326 k( 30) = ( -0.2387062 0.2387062 0.2387062), wk = 0.0029326 k( 31) = ( -0.2469375 0.2469374 0.2469375), wk = 0.0029326 k( 32) = ( -0.2551687 0.2551687 0.2551687), wk = 0.0029326 k( 33) = ( -0.2633999 0.2633999 0.2633999), wk = 0.0029326 k( 34) = ( -0.2716312 0.2716312 0.2716312), wk = 0.0029326 k( 35) = ( -0.2798624 0.2798624 0.2798625), wk = 0.0029326 k( 36) = ( -0.2880937 0.2880937 0.2880937), wk = 0.0029326 k( 37) = ( -0.2963249 0.2963249 0.2963249), wk = 0.0029326 k( 38) = ( -0.3045562 0.3045562 0.3045562), wk = 0.0029326 k( 39) = ( -0.3127874 0.3127874 0.3127874), wk = 0.0029326 k( 40) = ( -0.3210187 0.3210187 0.3210187), wk = 0.0029326 k( 41) = ( -0.3210187 0.3210187 0.3210187), wk = 0.0029326 k( 42) = ( -0.3129552 0.3129552 0.3290822), wk = 0.0029326 k( 43) = ( -0.3048917 0.3048917 0.3371456), wk = 0.0029326 k( 44) = ( -0.2968283 0.2968283 0.3452091), wk = 0.0029326 k( 45) = ( -0.2887648 0.2887648 0.3532726), wk = 0.0029326 k( 46) = ( -0.2807013 0.2807013 0.3613361), wk = 0.0029326 k( 47) = ( -0.2726378 0.2726378 0.3693996), wk = 0.0029326 k( 48) = ( -0.2645744 0.2645744 0.3774630), wk = 0.0029326 k( 49) = ( -0.2565109 0.2565109 0.3855265), wk = 0.0029326 k( 50) = ( -0.2484474 0.2484474 0.3935900), wk = 0.0029326 k( 51) = ( -0.2403839 0.2403839 0.4016535), wk = 0.0029326 k( 52) = ( -0.2323205 0.2323205 0.4097169), wk = 0.0029326 k( 53) = ( -0.2242570 0.2242570 0.4177804), wk = 0.0029326 k( 54) = ( -0.2161935 0.2161935 0.4258439), wk = 0.0029326 k( 55) = ( -0.2081300 0.2081300 0.4339074), wk = 0.0029326 k( 56) = ( -0.2000665 0.2000665 0.4419708), wk = 0.0029326 k( 57) = ( -0.1920031 0.1920031 0.4500343), wk = 0.0029326 k( 58) = ( -0.1839396 0.1839396 0.4580978), wk = 0.0029326 k( 59) = ( -0.1758761 0.1758761 0.4661613), wk = 0.0029326 k( 60) = ( -0.1678126 0.1678126 0.4742248), wk = 0.0029326 k( 61) = ( -0.1597492 0.1597492 0.4822882), wk = 0.0029326 k( 62) = ( -0.1516857 0.1516857 0.4903517), wk = 0.0029326 k( 63) = ( -0.1436222 0.1436222 0.4984152), wk = 0.0029326 k( 64) = ( -0.1436222 0.1436222 0.4984152), wk = 0.0029326 k( 65) = ( -0.1325743 0.1325743 0.4985371), wk = 0.0029326 k( 66) = ( -0.1215265 0.1215265 0.4986590), wk = 0.0029326 k( 67) = ( -0.1104786 0.1104786 0.4987809), wk = 0.0029326 k( 68) = ( -0.0994308 0.0994308 0.4989028), wk = 0.0029326 k( 69) = ( -0.0883829 0.0883829 0.4990247), wk = 0.0029326 k( 70) = ( -0.0773350 0.0773350 0.4991466), wk = 0.0029326 k( 71) = ( -0.0662872 0.0662872 0.4992685), wk = 0.0029326 k( 72) = ( -0.0552393 0.0552393 0.4993905), wk = 0.0029326 k( 73) = ( -0.0441915 0.0441915 0.4995124), wk = 0.0029326 k( 74) = ( -0.0331436 0.0331436 0.4996343), wk = 0.0029326 k( 75) = ( -0.0220957 0.0220957 0.4997562), wk = 0.0029326 k( 76) = ( -0.0110479 0.0110479 0.4998781), wk = 0.0029326 k( 77) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 78) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 79) = ( 0.0147059 0.0147059 0.4852941), wk = 0.0029326 k( 80) = ( 0.0294118 0.0294118 0.4705882), wk = 0.0029326 k( 81) = ( 0.0441177 0.0441177 0.4558824), wk = 0.0029326 k( 82) = ( 0.0588235 0.0588235 0.4411765), wk = 0.0029326 k( 83) = ( 0.0735294 0.0735294 0.4264706), wk = 0.0029326 k( 84) = ( 0.0882353 0.0882353 0.4117647), wk = 0.0029326 k( 85) = ( 0.1029412 0.1029412 0.3970588), wk = 0.0029326 k( 86) = ( 0.1176471 0.1176471 0.3823529), wk = 0.0029326 k( 87) = ( 0.1323529 0.1323529 0.3676471), wk = 0.0029326 k( 88) = ( 0.1470588 0.1470588 0.3529412), wk = 0.0029326 k( 89) = ( 0.1617647 0.1617647 0.3382353), wk = 0.0029326 k( 90) = ( 0.1764706 0.1764706 0.3235294), wk = 0.0029326 k( 91) = ( 0.1911765 0.1911765 0.3088235), wk = 0.0029326 k( 92) = ( 0.2058823 0.2058823 0.2941177), wk = 0.0029326 k( 93) = ( 0.2205882 0.2205882 0.2794118), wk = 0.0029326 k( 94) = ( 0.2352941 0.2352941 0.2647059), wk = 0.0029326 k( 95) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029326 k( 96) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029326 k( 97) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0029326 k( 98) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0029326 k( 99) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0029326 k( 100) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0029326 k( 101) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0029326 k( 102) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0029326 k( 103) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0029326 k( 104) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0029326 k( 105) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0029326 k( 106) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0029326 k( 107) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0029326 k( 108) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0029326 k( 109) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0029326 k( 110) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0029326 k( 111) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0029326 k( 112) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0029326 k( 113) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0029326 k( 114) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0029326 k( 115) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0029326 k( 116) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0029326 k( 117) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0029326 k( 118) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0029326 k( 119) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0029326 k( 120) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0029326 k( 121) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0029326 k( 122) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0029326 k( 123) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0029326 k( 124) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0029326 k( 125) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0029326 k( 126) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029326 k( 127) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029326 k( 128) = ( 0.0168957 0.5094201 -0.0168957), wk = 0.0029326 k( 129) = ( 0.0337914 0.5188401 -0.0337914), wk = 0.0029326 k( 130) = ( 0.0506872 0.5282602 -0.0506872), wk = 0.0029326 k( 131) = ( 0.0675829 0.5376803 -0.0675829), wk = 0.0029326 k( 132) = ( 0.0844786 0.5471003 -0.0844786), wk = 0.0029326 k( 133) = ( 0.1013743 0.5565204 -0.1013743), wk = 0.0029326 k( 134) = ( 0.1182700 0.5659405 -0.1182700), wk = 0.0029326 k( 135) = ( 0.1351658 0.5753605 -0.1351658), wk = 0.0029326 k( 136) = ( 0.1520615 0.5847806 -0.1520615), wk = 0.0029326 k( 137) = ( 0.1689572 0.5942007 -0.1689572), wk = 0.0029326 k( 138) = ( 0.1858529 0.6036208 -0.1858529), wk = 0.0029326 k( 139) = ( 0.2027487 0.6130408 -0.2027487), wk = 0.0029326 k( 140) = ( 0.2196444 0.6224609 -0.2196444), wk = 0.0029326 k( 141) = ( 0.2365401 0.6318810 -0.2365401), wk = 0.0029326 k( 142) = ( 0.2534358 0.6413010 -0.2534358), wk = 0.0029326 k( 143) = ( 0.2703315 0.6507211 -0.2703315), wk = 0.0029326 k( 144) = ( 0.2872272 0.6601412 -0.2872272), wk = 0.0029326 k( 145) = ( 0.3041230 0.6695612 -0.3041230), wk = 0.0029326 k( 146) = ( 0.3210187 0.6789813 -0.3210187), wk = 0.0029326 k( 147) = ( 0.3210187 0.6789813 -0.3210187), wk = 0.0029326 k( 148) = ( 0.3291542 0.6708458 -0.3291542), wk = 0.0029326 k( 149) = ( 0.3372897 0.6627103 -0.3372897), wk = 0.0029326 k( 150) = ( 0.3454252 0.6545748 -0.3454252), wk = 0.0029326 k( 151) = ( 0.3535607 0.6464393 -0.3535608), wk = 0.0029326 k( 152) = ( 0.3616963 0.6383037 -0.3616963), wk = 0.0029326 k( 153) = ( 0.3698318 0.6301682 -0.3698318), wk = 0.0029326 k( 154) = ( 0.3779673 0.6220327 -0.3779673), wk = 0.0029326 k( 155) = ( 0.3861028 0.6138972 -0.3861028), wk = 0.0029326 k( 156) = ( 0.3942383 0.6057617 -0.3942383), wk = 0.0029326 k( 157) = ( 0.4023738 0.5976262 -0.4023738), wk = 0.0029326 k( 158) = ( 0.4105093 0.5894906 -0.4105093), wk = 0.0029326 k( 159) = ( 0.4186449 0.5813551 -0.4186449), wk = 0.0029326 k( 160) = ( 0.4267804 0.5732196 -0.4267804), wk = 0.0029326 k( 161) = ( 0.4349159 0.5650841 -0.4349159), wk = 0.0029326 k( 162) = ( 0.4430514 0.5569486 -0.4430514), wk = 0.0029326 k( 163) = ( 0.4511869 0.5488131 -0.4511869), wk = 0.0029326 k( 164) = ( 0.4593224 0.5406776 -0.4593224), wk = 0.0029326 k( 165) = ( 0.4674579 0.5325421 -0.4674579), wk = 0.0029326 k( 166) = ( 0.4755935 0.5244065 -0.4755935), wk = 0.0029326 k( 167) = ( 0.4837290 0.5162710 -0.4837290), wk = 0.0029326 k( 168) = ( 0.4918645 0.5081355 -0.4918645), wk = 0.0029326 k( 169) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029326 k( 170) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029326 k( 171) = ( 0.4848485 0.4848485 -0.4848485), wk = 0.0029326 k( 172) = ( 0.4696970 0.4696970 -0.4696970), wk = 0.0029326 k( 173) = ( 0.4545455 0.4545455 -0.4545455), wk = 0.0029326 k( 174) = ( 0.4393939 0.4393939 -0.4393939), wk = 0.0029326 k( 175) = ( 0.4242424 0.4242424 -0.4242424), wk = 0.0029326 k( 176) = ( 0.4090909 0.4090909 -0.4090909), wk = 0.0029326 k( 177) = ( 0.3939394 0.3939394 -0.3939394), wk = 0.0029326 k( 178) = ( 0.3787879 0.3787879 -0.3787879), wk = 0.0029326 k( 179) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0029326 k( 180) = ( 0.3484849 0.3484849 -0.3484849), wk = 0.0029326 k( 181) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0029326 k( 182) = ( 0.3181818 0.3181818 -0.3181818), wk = 0.0029326 k( 183) = ( 0.3030303 0.3030303 -0.3030303), wk = 0.0029326 k( 184) = ( 0.2878788 0.2878788 -0.2878788), wk = 0.0029326 k( 185) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0029326 k( 186) = ( 0.2575758 0.2575758 -0.2575758), wk = 0.0029326 k( 187) = ( 0.2424242 0.2424242 -0.2424242), wk = 0.0029326 k( 188) = ( 0.2272727 0.2272727 -0.2272727), wk = 0.0029326 k( 189) = ( 0.2121212 0.2121212 -0.2121212), wk = 0.0029326 k( 190) = ( 0.1969697 0.1969697 -0.1969697), wk = 0.0029326 k( 191) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0029326 k( 192) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0029326 k( 193) = ( 0.1515151 0.1515151 -0.1515151), wk = 0.0029326 k( 194) = ( 0.1363636 0.1363636 -0.1363636), wk = 0.0029326 k( 195) = ( 0.1212121 0.1212121 -0.1212121), wk = 0.0029326 k( 196) = ( 0.1060606 0.1060606 -0.1060606), wk = 0.0029326 k( 197) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0029326 k( 198) = ( 0.0757576 0.0757576 -0.0757576), wk = 0.0029326 k( 199) = ( 0.0606061 0.0606061 -0.0606061), wk = 0.0029326 k( 200) = ( 0.0454546 0.0454545 -0.0454546), wk = 0.0029326 k( 201) = ( 0.0303030 0.0303030 -0.0303030), wk = 0.0029326 k( 202) = ( 0.0151515 0.0151515 -0.0151515), wk = 0.0029326 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 205) = ( 0.0082719 -0.0082719 0.0082719), wk = 0.0029326 k( 206) = ( 0.0165438 -0.0165438 0.0165438), wk = 0.0029326 k( 207) = ( 0.0248157 -0.0248157 0.0248157), wk = 0.0029326 k( 208) = ( 0.0330875 -0.0330875 0.0330875), wk = 0.0029326 k( 209) = ( 0.0413594 -0.0413594 0.0413594), wk = 0.0029326 k( 210) = ( 0.0496313 -0.0496313 0.0496313), wk = 0.0029326 k( 211) = ( 0.0579032 -0.0579032 0.0579032), wk = 0.0029326 k( 212) = ( 0.0661751 -0.0661751 0.0661751), wk = 0.0029326 k( 213) = ( 0.0744470 -0.0744470 0.0744470), wk = 0.0029326 k( 214) = ( 0.0827188 -0.0827188 0.0827189), wk = 0.0029326 k( 215) = ( 0.0909907 -0.0909907 0.0909907), wk = 0.0029326 k( 216) = ( 0.0992626 -0.0992626 0.0992626), wk = 0.0029326 k( 217) = ( 0.1075345 -0.1075345 0.1075345), wk = 0.0029326 k( 218) = ( 0.1158064 -0.1158064 0.1158064), wk = 0.0029326 k( 219) = ( 0.1240783 -0.1240783 0.1240783), wk = 0.0029326 k( 220) = ( 0.1323502 -0.1323502 0.1323502), wk = 0.0029326 k( 221) = ( 0.1406220 -0.1406220 0.1406220), wk = 0.0029326 k( 222) = ( 0.1488939 -0.1488939 0.1488939), wk = 0.0029326 k( 223) = ( 0.1571658 -0.1571658 0.1571658), wk = 0.0029326 k( 224) = ( 0.1654377 -0.1654377 0.1654377), wk = 0.0029326 k( 225) = ( 0.1737096 -0.1737096 0.1737096), wk = 0.0029326 k( 226) = ( 0.1819815 -0.1819815 0.1819815), wk = 0.0029326 k( 227) = ( 0.1902533 -0.1902533 0.1902533), wk = 0.0029326 k( 228) = ( 0.1985252 -0.1985252 0.1985252), wk = 0.0029326 k( 229) = ( 0.2067971 -0.2067971 0.2067971), wk = 0.0029326 k( 230) = ( 0.2150690 -0.2150690 0.2150690), wk = 0.0029326 k( 231) = ( 0.2233409 -0.2233409 0.2233409), wk = 0.0029326 k( 232) = ( 0.2316128 -0.2316128 0.2316128), wk = 0.0029326 k( 233) = ( 0.2398847 -0.2398847 0.2398847), wk = 0.0029326 k( 234) = ( 0.2481566 -0.2481566 0.2481566), wk = 0.0029326 k( 235) = ( 0.2564284 -0.2564284 0.2564284), wk = 0.0029326 k( 236) = ( 0.2647003 -0.2647003 0.2647003), wk = 0.0029326 k( 237) = ( 0.2729722 -0.2729722 0.2729722), wk = 0.0029326 k( 238) = ( 0.2812441 -0.2812441 0.2812441), wk = 0.0029326 k( 239) = ( 0.2895160 -0.2895160 0.2895160), wk = 0.0029326 k( 240) = ( 0.2977879 -0.2977879 0.2977879), wk = 0.0029326 k( 241) = ( 0.3060597 -0.3060597 0.3060597), wk = 0.0029326 k( 242) = ( 0.3143316 -0.3143316 0.3143316), wk = 0.0029326 k( 243) = ( 0.3226035 -0.3226035 0.3226035), wk = 0.0029326 k( 244) = ( 0.3226035 -0.3226035 0.3226035), wk = 0.0029326 k( 245) = ( 0.3319402 -0.3056244 0.3056244), wk = 0.0029326 k( 246) = ( 0.3412768 -0.2886453 0.2886453), wk = 0.0029326 k( 247) = ( 0.3506135 -0.2716661 0.2716661), wk = 0.0029326 k( 248) = ( 0.3599501 -0.2546870 0.2546870), wk = 0.0029326 k( 249) = ( 0.3692868 -0.2377078 0.2377078), wk = 0.0029326 k( 250) = ( 0.3786235 -0.2207287 0.2207287), wk = 0.0029326 k( 251) = ( 0.3879601 -0.2037496 0.2037496), wk = 0.0029326 k( 252) = ( 0.3972968 -0.1867705 0.1867705), wk = 0.0029326 k( 253) = ( 0.4066334 -0.1697913 0.1697913), wk = 0.0029326 k( 254) = ( 0.4159701 -0.1528122 0.1528122), wk = 0.0029326 k( 255) = ( 0.4253067 -0.1358331 0.1358331), wk = 0.0029326 k( 256) = ( 0.4346434 -0.1188539 0.1188539), wk = 0.0029326 k( 257) = ( 0.4439801 -0.1018748 0.1018748), wk = 0.0029326 k( 258) = ( 0.4533167 -0.0848957 0.0848957), wk = 0.0029326 k( 259) = ( 0.4626534 -0.0679165 0.0679165), wk = 0.0029326 k( 260) = ( 0.4719900 -0.0509374 0.0509374), wk = 0.0029326 k( 261) = ( 0.4813267 -0.0339583 0.0339583), wk = 0.0029326 k( 262) = ( 0.4906633 -0.0169791 0.0169791), wk = 0.0029326 k( 263) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029326 k( 264) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029326 k( 265) = ( 0.4919355 0.0080645 0.0080645), wk = 0.0029326 k( 266) = ( 0.4838710 0.0161290 0.0161290), wk = 0.0029326 k( 267) = ( 0.4758064 0.0241935 0.0241935), wk = 0.0029326 k( 268) = ( 0.4677419 0.0322581 0.0322581), wk = 0.0029326 k( 269) = ( 0.4596774 0.0403226 0.0403226), wk = 0.0029326 k( 270) = ( 0.4516129 0.0483871 0.0483871), wk = 0.0029326 k( 271) = ( 0.4435484 0.0564516 0.0564516), wk = 0.0029326 k( 272) = ( 0.4354839 0.0645161 0.0645161), wk = 0.0029326 k( 273) = ( 0.4274193 0.0725806 0.0725807), wk = 0.0029326 k( 274) = ( 0.4193548 0.0806452 0.0806452), wk = 0.0029326 k( 275) = ( 0.4112903 0.0887097 0.0887097), wk = 0.0029326 k( 276) = ( 0.4032258 0.0967742 0.0967742), wk = 0.0029326 k( 277) = ( 0.3951613 0.1048387 0.1048387), wk = 0.0029326 k( 278) = ( 0.3870968 0.1129032 0.1129032), wk = 0.0029326 k( 279) = ( 0.3790323 0.1209677 0.1209677), wk = 0.0029326 k( 280) = ( 0.3709677 0.1290323 0.1290323), wk = 0.0029326 k( 281) = ( 0.3629032 0.1370968 0.1370968), wk = 0.0029326 k( 282) = ( 0.3548387 0.1451613 0.1451613), wk = 0.0029326 k( 283) = ( 0.3467742 0.1532258 0.1532258), wk = 0.0029326 k( 284) = ( 0.3387097 0.1612903 0.1612903), wk = 0.0029326 k( 285) = ( 0.3306452 0.1693548 0.1693548), wk = 0.0029326 k( 286) = ( 0.3225807 0.1774194 0.1774194), wk = 0.0029326 k( 287) = ( 0.3145161 0.1854839 0.1854839), wk = 0.0029326 k( 288) = ( 0.3064516 0.1935484 0.1935484), wk = 0.0029326 k( 289) = ( 0.2983871 0.2016129 0.2016129), wk = 0.0029326 k( 290) = ( 0.2903226 0.2096774 0.2096774), wk = 0.0029326 k( 291) = ( 0.2822581 0.2177419 0.2177419), wk = 0.0029326 k( 292) = ( 0.2741936 0.2258064 0.2258064), wk = 0.0029326 k( 293) = ( 0.2661290 0.2338710 0.2338710), wk = 0.0029326 k( 294) = ( 0.2580645 0.2419355 0.2419355), wk = 0.0029326 k( 295) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029326 k( 296) = ( 0.1436222 -0.1436222 0.5015848), wk = 0.0029326 k( 297) = ( 0.1517577 -0.1517577 0.4934493), wk = 0.0029326 k( 298) = ( 0.1598932 -0.1598932 0.4853138), wk = 0.0029326 k( 299) = ( 0.1680288 -0.1680288 0.4771783), wk = 0.0029326 k( 300) = ( 0.1761643 -0.1761643 0.4690428), wk = 0.0029326 k( 301) = ( 0.1842998 -0.1842998 0.4609073), wk = 0.0029326 k( 302) = ( 0.1924353 -0.1924353 0.4527717), wk = 0.0029326 k( 303) = ( 0.2005708 -0.2005708 0.4446362), wk = 0.0029326 k( 304) = ( 0.2087063 -0.2087063 0.4365007), wk = 0.0029326 k( 305) = ( 0.2168418 -0.2168418 0.4283652), wk = 0.0029326 k( 306) = ( 0.2249773 -0.2249773 0.4202297), wk = 0.0029326 k( 307) = ( 0.2331129 -0.2331129 0.4120942), wk = 0.0029326 k( 308) = ( 0.2412484 -0.2412484 0.4039587), wk = 0.0029326 k( 309) = ( 0.2493839 -0.2493839 0.3958231), wk = 0.0029326 k( 310) = ( 0.2575194 -0.2575194 0.3876876), wk = 0.0029326 k( 311) = ( 0.2656549 -0.2656549 0.3795521), wk = 0.0029326 k( 312) = ( 0.2737904 -0.2737904 0.3714166), wk = 0.0029326 k( 313) = ( 0.2819259 -0.2819259 0.3632811), wk = 0.0029326 k( 314) = ( 0.2900615 -0.2900615 0.3551456), wk = 0.0029326 k( 315) = ( 0.2981970 -0.2981970 0.3470101), wk = 0.0029326 k( 316) = ( 0.3063325 -0.3063325 0.3388745), wk = 0.0029326 k( 317) = ( 0.3144680 -0.3144680 0.3307390), wk = 0.0029326 k( 318) = ( 0.3226035 -0.3226035 0.3226035), wk = 0.0029326 k( 319) = ( 0.6773965 0.3226035 -0.3226035), wk = 0.0029326 k( 320) = ( 0.6693330 0.3306670 -0.3306670), wk = 0.0029326 k( 321) = ( 0.6612695 0.3387305 -0.3387305), wk = 0.0029326 k( 322) = ( 0.6532061 0.3467939 -0.3467939), wk = 0.0029326 k( 323) = ( 0.6451426 0.3548574 -0.3548574), wk = 0.0029326 k( 324) = ( 0.6370791 0.3629209 -0.3629209), wk = 0.0029326 k( 325) = ( 0.6290156 0.3709844 -0.3709844), wk = 0.0029326 k( 326) = ( 0.6209522 0.3790479 -0.3790479), wk = 0.0029326 k( 327) = ( 0.6128887 0.3871113 -0.3871113), wk = 0.0029326 k( 328) = ( 0.6048252 0.3951748 -0.3951748), wk = 0.0029326 k( 329) = ( 0.5967617 0.4032383 -0.4032383), wk = 0.0029326 k( 330) = ( 0.5886982 0.4113018 -0.4113018), wk = 0.0029326 k( 331) = ( 0.5806348 0.4193652 -0.4193652), wk = 0.0029326 k( 332) = ( 0.5725713 0.4274287 -0.4274287), wk = 0.0029326 k( 333) = ( 0.5645078 0.4354922 -0.4354922), wk = 0.0029326 k( 334) = ( 0.5564443 0.4435557 -0.4435557), wk = 0.0029326 k( 335) = ( 0.5483809 0.4516191 -0.4516191), wk = 0.0029326 k( 336) = ( 0.5403174 0.4596826 -0.4596826), wk = 0.0029326 k( 337) = ( 0.5322539 0.4677461 -0.4677461), wk = 0.0029326 k( 338) = ( 0.5241904 0.4758096 -0.4758096), wk = 0.0029326 k( 339) = ( 0.5161269 0.4838731 -0.4838731), wk = 0.0029326 k( 340) = ( 0.5080635 0.4919365 -0.4919365), wk = 0.0029326 k( 341) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029326 Dense grid: 396767 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 90053 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.43 Mb ( 642, 44) NL pseudopotentials 0.80 Mb ( 321, 164) Each V/rho on FFT grid 0.88 Mb ( 57600) Each G-vector array 0.08 Mb ( 11022) G-vector shells 0.08 Mb ( 10257) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.72 Mb ( 642, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.22 Mb ( 164, 2, 44) The potential is recalculated from file : ./BeCl2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.8 secs Computing kpt #: 4 total cpu time spent up to now is 6.9 secs Computing kpt #: 5 total cpu time spent up to now is 7.9 secs Computing kpt #: 6 total cpu time spent up to now is 9.0 secs Computing kpt #: 7 total cpu time spent up to now is 10.0 secs Computing kpt #: 8 total cpu time spent up to now is 11.1 secs Computing kpt #: 9 total cpu time spent up to now is 12.1 secs Computing kpt #: 10 total cpu time spent up to now is 13.2 secs Computing kpt #: 11 total cpu time spent up to now is 14.1 secs Computing kpt #: 12 total cpu time spent up to now is 15.0 secs Computing kpt #: 13 total cpu time spent up to now is 15.9 secs Computing kpt #: 14 total cpu time spent up to now is 16.8 secs Computing kpt #: 15 total cpu time spent up to now is 17.7 secs Computing kpt #: 16 total cpu time spent up to now is 18.5 secs Computing kpt #: 17 total cpu time spent up to now is 19.4 secs Computing kpt #: 18 total cpu time spent up to now is 20.3 secs Computing kpt #: 19 total cpu time spent up to now is 21.2 secs Computing kpt #: 20 total cpu time spent up to now is 22.1 secs Computing kpt #: 21 total cpu time spent up to now is 23.2 secs Computing kpt #: 22 total cpu time spent up to now is 24.3 secs Computing kpt #: 23 total cpu time spent up to now is 25.4 secs Computing kpt #: 24 total cpu time spent up to now is 26.6 secs Computing kpt #: 25 total cpu time spent up to now is 27.7 secs Computing kpt #: 26 total cpu time spent up to now is 28.9 secs Computing kpt #: 27 total cpu time spent up to now is 30.0 secs Computing kpt #: 28 total cpu time spent up to now is 31.2 secs Computing kpt #: 29 total cpu time spent up to now is 32.4 secs Computing kpt #: 30 total cpu time spent up to now is 33.6 secs Computing kpt #: 31 total cpu time spent up to now is 34.8 secs Computing kpt #: 32 total cpu time spent up to now is 36.1 secs Computing kpt #: 33 total cpu time spent up to now is 37.2 secs Computing kpt #: 34 total cpu time spent up to now is 38.3 secs Computing kpt #: 35 total cpu time spent up to now is 39.3 secs Computing kpt #: 36 total cpu time spent up to now is 40.3 secs Computing kpt #: 37 total cpu time spent up to now is 41.3 secs Computing kpt #: 38 total cpu time spent up to now is 42.3 secs Computing kpt #: 39 total cpu time spent up to now is 43.3 secs Computing kpt #: 40 total cpu time spent up to now is 44.4 secs Computing kpt #: 41 total cpu time spent up to now is 45.4 secs Computing kpt #: 42 total cpu time spent up to now is 46.4 secs Computing kpt #: 43 total cpu time spent up to now is 47.5 secs Computing kpt #: 44 total cpu time spent up to now is 48.6 secs Computing kpt #: 45 total cpu time spent up to now is 49.7 secs Computing kpt #: 46 total cpu time spent up to now is 50.8 secs Computing kpt #: 47 total cpu time spent up to now is 51.9 secs Computing kpt #: 48 total cpu time spent up to now is 53.1 secs Computing kpt #: 49 total cpu time spent up to now is 54.3 secs Computing kpt #: 50 total cpu time spent up to now is 55.5 secs Computing kpt #: 51 total cpu time spent up to now is 56.7 secs Computing kpt #: 52 total cpu time spent up to now is 57.9 secs Computing kpt #: 53 total cpu time spent up to now is 59.0 secs Computing kpt #: 54 total cpu time spent up to now is 60.2 secs Computing kpt #: 55 total cpu time spent up to now is 61.4 secs Computing kpt #: 56 total cpu time spent up to now is 62.6 secs Computing kpt #: 57 total cpu time spent up to now is 63.7 secs Computing kpt #: 58 total cpu time spent up to now is 64.9 secs Computing kpt #: 59 total cpu time spent up to now is 66.1 secs Computing kpt #: 60 total cpu time spent up to now is 67.3 secs Computing kpt #: 61 total cpu time spent up to now is 68.5 secs Computing kpt #: 62 total cpu time spent up to now is 69.6 secs Computing kpt #: 63 total cpu time spent up to now is 70.8 secs Computing kpt #: 64 total cpu time spent up to now is 72.0 secs Computing kpt #: 65 total cpu time spent up to now is 73.2 secs Computing kpt #: 66 total cpu time spent up to now is 74.4 secs Computing kpt #: 67 total cpu time spent up to now is 75.7 secs Computing kpt #: 68 total cpu time spent up to now is 76.9 secs Computing kpt #: 69 total cpu time spent up to now is 78.1 secs Computing kpt #: 70 total cpu time spent up to now is 79.3 secs Computing kpt #: 71 total cpu time spent up to now is 80.5 secs Computing kpt #: 72 total cpu time spent up to now is 81.7 secs Computing kpt #: 73 total cpu time spent up to now is 82.8 secs Computing kpt #: 74 total cpu time spent up to now is 83.9 secs Computing kpt #: 75 total cpu time spent up to now is 84.9 secs Computing kpt #: 76 total cpu time spent up to now is 86.0 secs Computing kpt #: 77 total cpu time spent up to now is 87.1 secs Computing kpt #: 78 total cpu time spent up to now is 88.1 secs Computing kpt #: 79 total cpu time spent up to now is 89.2 secs Computing kpt #: 80 total cpu time spent up to now is 90.3 secs Computing kpt #: 81 total cpu time spent up to now is 91.3 secs Computing kpt #: 82 total cpu time spent up to now is 92.4 secs Computing kpt #: 83 total cpu time spent up to now is 93.4 secs Computing kpt #: 84 total cpu time spent up to now is 94.5 secs Computing kpt #: 85 total cpu time spent up to now is 95.5 secs Computing kpt #: 86 total cpu time spent up to now is 96.6 secs Computing kpt #: 87 total cpu time spent up to now is 97.6 secs Computing kpt #: 88 total cpu time spent up to now is 98.6 secs Computing kpt #: 89 total cpu time spent up to now is 99.5 secs Computing kpt #: 90 total cpu time spent up to now is 100.4 secs Computing kpt #: 91 total cpu time spent up to now is 101.3 secs Computing kpt #: 92 total cpu time spent up to now is 102.2 secs Computing kpt #: 93 total cpu time spent up to now is 103.1 secs Computing kpt #: 94 total cpu time spent up to now is 104.0 secs Computing kpt #: 95 total cpu time spent up to now is 104.9 secs Computing kpt #: 96 total cpu time spent up to now is 105.8 secs Computing kpt #: 97 total cpu time spent up to now is 106.7 secs Computing kpt #: 98 total cpu time spent up to now is 107.6 secs Computing kpt #: 99 total cpu time spent up to now is 108.5 secs Computing kpt #: 100 total cpu time spent up to now is 109.4 secs Computing kpt #: 101 total cpu time spent up to now is 110.3 secs Computing kpt #: 102 total cpu time spent up to now is 111.2 secs Computing kpt #: 103 total cpu time spent up to now is 112.1 secs Computing kpt #: 104 total cpu time spent up to now is 113.0 secs Computing kpt #: 105 total cpu time spent up to now is 113.9 secs Computing kpt #: 106 total cpu time spent up to now is 114.8 secs Computing kpt #: 107 total cpu time spent up to now is 115.8 secs Computing kpt #: 108 total cpu time spent up to now is 116.7 secs Computing kpt #: 109 total cpu time spent up to now is 117.8 secs Computing kpt #: 110 total cpu time spent up to now is 118.7 secs Computing kpt #: 111 total cpu time spent up to now is 119.9 secs Computing kpt #: 112 total cpu time spent up to now is 121.1 secs Computing kpt #: 113 total cpu time spent up to now is 122.3 secs Computing kpt #: 114 total cpu time spent up to now is 123.6 secs Computing kpt #: 115 total cpu time spent up to now is 124.9 secs Computing kpt #: 116 total cpu time spent up to now is 126.2 secs Computing kpt #: 117 total cpu time spent up to now is 127.5 secs Computing kpt #: 118 total cpu time spent up to now is 128.9 secs Computing kpt #: 119 total cpu time spent up to now is 130.2 secs Computing kpt #: 120 total cpu time spent up to now is 131.8 secs Computing kpt #: 121 total cpu time spent up to now is 133.2 secs Computing kpt #: 122 total cpu time spent up to now is 134.7 secs Computing kpt #: 123 total cpu time spent up to now is 136.2 secs Computing kpt #: 124 total cpu time spent up to now is 137.9 secs Computing kpt #: 125 total cpu time spent up to now is 139.6 secs Computing kpt #: 126 total cpu time spent up to now is 141.1 secs Computing kpt #: 127 total cpu time spent up to now is 142.8 secs Computing kpt #: 128 total cpu time spent up to now is 144.4 secs Computing kpt #: 129 total cpu time spent up to now is 146.0 secs Computing kpt #: 130 total cpu time spent up to now is 147.4 secs Computing kpt #: 131 total cpu time spent up to now is 148.7 secs Computing kpt #: 132 total cpu time spent up to now is 150.0 secs Computing kpt #: 133 total cpu time spent up to now is 151.2 secs Computing kpt #: 134 total cpu time spent up to now is 152.4 secs Computing kpt #: 135 total cpu time spent up to now is 153.6 secs Computing kpt #: 136 total cpu time spent up to now is 154.7 secs Computing kpt #: 137 total cpu time spent up to now is 155.9 secs Computing kpt #: 138 total cpu time spent up to now is 157.0 secs Computing kpt #: 139 total cpu time spent up to now is 158.1 secs Computing kpt #: 140 total cpu time spent up to now is 159.3 secs Computing kpt #: 141 total cpu time spent up to now is 160.4 secs Computing kpt #: 142 total cpu time spent up to now is 161.5 secs Computing kpt #: 143 total cpu time spent up to now is 162.5 secs Computing kpt #: 144 total cpu time spent up to now is 163.6 secs Computing kpt #: 145 total cpu time spent up to now is 164.7 secs Computing kpt #: 146 total cpu time spent up to now is 165.7 secs Computing kpt #: 147 total cpu time spent up to now is 166.8 secs Computing kpt #: 148 total cpu time spent up to now is 167.9 secs Computing kpt #: 149 total cpu time spent up to now is 169.0 secs Computing kpt #: 150 total cpu time spent up to now is 170.1 secs Computing kpt #: 151 total cpu time spent up to now is 171.2 secs Computing kpt #: 152 total cpu time spent up to now is 172.3 secs Computing kpt #: 153 total cpu time spent up to now is 173.4 secs Computing kpt #: 154 total cpu time spent up to now is 174.5 secs Computing kpt #: 155 total cpu time spent up to now is 175.8 secs Computing kpt #: 156 total cpu time spent up to now is 177.3 secs Computing kpt #: 157 total cpu time spent up to now is 178.5 secs Computing kpt #: 158 total cpu time spent up to now is 179.7 secs Computing kpt #: 159 total cpu time spent up to now is 180.9 secs Computing kpt #: 160 total cpu time spent up to now is 182.1 secs Computing kpt #: 161 total cpu time spent up to now is 183.3 secs Computing kpt #: 162 total cpu time spent up to now is 184.4 secs Computing kpt #: 163 total cpu time spent up to now is 185.5 secs Computing kpt #: 164 total cpu time spent up to now is 186.6 secs Computing kpt #: 165 total cpu time spent up to now is 187.7 secs Computing kpt #: 166 total cpu time spent up to now is 188.8 secs Computing kpt #: 167 total cpu time spent up to now is 189.9 secs Computing kpt #: 168 total cpu time spent up to now is 190.9 secs Computing kpt #: 169 total cpu time spent up to now is 192.1 secs Computing kpt #: 170 total cpu time spent up to now is 193.2 secs Computing kpt #: 171 total cpu time spent up to now is 194.3 secs Computing kpt #: 172 total cpu time spent up to now is 195.3 secs Computing kpt #: 173 total cpu time spent up to now is 196.4 secs Computing kpt #: 174 total cpu time spent up to now is 197.5 secs Computing kpt #: 175 total cpu time spent up to now is 198.6 secs Computing kpt #: 176 total cpu time spent up to now is 199.7 secs Computing kpt #: 177 total cpu time spent up to now is 200.8 secs Computing kpt #: 178 total cpu time spent up to now is 202.0 secs Computing kpt #: 179 total cpu time spent up to now is 203.5 secs Computing kpt #: 180 total cpu time spent up to now is 204.7 secs Computing kpt #: 181 total cpu time spent up to now is 205.6 secs Computing kpt #: 182 total cpu time spent up to now is 206.5 secs Computing kpt #: 183 total cpu time spent up to now is 207.4 secs Computing kpt #: 184 total cpu time spent up to now is 208.3 secs Computing kpt #: 185 total cpu time spent up to now is 209.2 secs Computing kpt #: 186 total cpu time spent up to now is 210.1 secs Computing kpt #: 187 total cpu time spent up to now is 211.0 secs Computing kpt #: 188 total cpu time spent up to now is 212.1 secs Computing kpt #: 189 total cpu time spent up to now is 213.3 secs Computing kpt #: 190 total cpu time spent up to now is 214.4 secs Computing kpt #: 191 total cpu time spent up to now is 215.5 secs Computing kpt #: 192 total cpu time spent up to now is 216.6 secs Computing kpt #: 193 total cpu time spent up to now is 217.7 secs Computing kpt #: 194 total cpu time spent up to now is 218.8 secs Computing kpt #: 195 total cpu time spent up to now is 219.9 secs Computing kpt #: 196 total cpu time spent up to now is 221.0 secs Computing kpt #: 197 total cpu time spent up to now is 222.1 secs Computing kpt #: 198 total cpu time spent up to now is 223.2 secs Computing kpt #: 199 total cpu time spent up to now is 224.3 secs Computing kpt #: 200 total cpu time spent up to now is 225.4 secs Computing kpt #: 201 total cpu time spent up to now is 226.5 secs Computing kpt #: 202 total cpu time spent up to now is 227.6 secs Computing kpt #: 203 total cpu time spent up to now is 228.7 secs Computing kpt #: 204 total cpu time spent up to now is 229.8 secs Computing kpt #: 205 total cpu time spent up to now is 230.9 secs Computing kpt #: 206 total cpu time spent up to now is 232.0 secs Computing kpt #: 207 total cpu time spent up to now is 233.1 secs Computing kpt #: 208 total cpu time spent up to now is 234.2 secs Computing kpt #: 209 total cpu time spent up to now is 235.3 secs Computing kpt #: 210 total cpu time spent up to now is 236.4 secs Computing kpt #: 211 total cpu time spent up to now is 237.6 secs Computing kpt #: 212 total cpu time spent up to now is 238.6 secs Computing kpt #: 213 total cpu time spent up to now is 239.8 secs Computing kpt #: 214 total cpu time spent up to now is 240.9 secs Computing kpt #: 215 total cpu time spent up to now is 242.1 secs Computing kpt #: 216 total cpu time spent up to now is 243.2 secs Computing kpt #: 217 total cpu time spent up to now is 244.3 secs Computing kpt #: 218 total cpu time spent up to now is 245.5 secs Computing kpt #: 219 total cpu time spent up to now is 246.7 secs Computing kpt #: 220 total cpu time spent up to now is 248.4 secs Computing kpt #: 221 total cpu time spent up to now is 249.5 secs Computing kpt #: 222 total cpu time spent up to now is 250.9 secs Computing kpt #: 223 total cpu time spent up to now is 252.0 secs Computing kpt #: 224 total cpu time spent up to now is 253.1 secs Computing kpt #: 225 total cpu time spent up to now is 254.2 secs Computing kpt #: 226 total cpu time spent up to now is 255.2 secs Computing kpt #: 227 total cpu time spent up to now is 256.3 secs Computing kpt #: 228 total cpu time spent up to now is 257.4 secs Computing kpt #: 229 total cpu time spent up to now is 258.7 secs Computing kpt #: 230 total cpu time spent up to now is 260.1 secs Computing kpt #: 231 total cpu time spent up to now is 261.4 secs Computing kpt #: 232 total cpu time spent up to now is 262.6 secs Computing kpt #: 233 total cpu time spent up to now is 263.8 secs Computing kpt #: 234 total cpu time spent up to now is 264.9 secs Computing kpt #: 235 total cpu time spent up to now is 266.1 secs Computing kpt #: 236 total cpu time spent up to now is 267.2 secs Computing kpt #: 237 total cpu time spent up to now is 268.3 secs Computing kpt #: 238 total cpu time spent up to now is 269.5 secs Computing kpt #: 239 total cpu time spent up to now is 270.6 secs Computing kpt #: 240 total cpu time spent up to now is 271.7 secs Computing kpt #: 241 total cpu time spent up to now is 272.9 secs Computing kpt #: 242 total cpu time spent up to now is 274.0 secs Computing kpt #: 243 total cpu time spent up to now is 275.1 secs Computing kpt #: 244 total cpu time spent up to now is 276.2 secs Computing kpt #: 245 total cpu time spent up to now is 277.4 secs Computing kpt #: 246 total cpu time spent up to now is 278.5 secs Computing kpt #: 247 total cpu time spent up to now is 279.6 secs Computing kpt #: 248 total cpu time spent up to now is 280.7 secs Computing kpt #: 249 total cpu time spent up to now is 281.9 secs Computing kpt #: 250 total cpu time spent up to now is 283.0 secs Computing kpt #: 251 total cpu time spent up to now is 284.2 secs Computing kpt #: 252 total cpu time spent up to now is 285.3 secs Computing kpt #: 253 total cpu time spent up to now is 286.5 secs Computing kpt #: 254 total cpu time spent up to now is 287.6 secs Computing kpt #: 255 total cpu time spent up to now is 288.7 secs Computing kpt #: 256 total cpu time spent up to now is 289.9 secs Computing kpt #: 257 total cpu time spent up to now is 291.0 secs Computing kpt #: 258 total cpu time spent up to now is 292.2 secs Computing kpt #: 259 total cpu time spent up to now is 293.3 secs Computing kpt #: 260 total cpu time spent up to now is 294.5 secs Computing kpt #: 261 total cpu time spent up to now is 295.7 secs Computing kpt #: 262 total cpu time spent up to now is 296.9 secs Computing kpt #: 263 total cpu time spent up to now is 298.1 secs Computing kpt #: 264 total cpu time spent up to now is 299.3 secs Computing kpt #: 265 total cpu time spent up to now is 300.4 secs Computing kpt #: 266 total cpu time spent up to now is 301.6 secs Computing kpt #: 267 total cpu time spent up to now is 302.7 secs Computing kpt #: 268 total cpu time spent up to now is 303.9 secs Computing kpt #: 269 total cpu time spent up to now is 305.0 secs Computing kpt #: 270 total cpu time spent up to now is 306.0 secs Computing kpt #: 271 total cpu time spent up to now is 307.2 secs Computing kpt #: 272 total cpu time spent up to now is 308.3 secs Computing kpt #: 273 total cpu time spent up to now is 309.4 secs Computing kpt #: 274 total cpu time spent up to now is 310.6 secs Computing kpt #: 275 total cpu time spent up to now is 311.7 secs Computing kpt #: 276 total cpu time spent up to now is 312.9 secs Computing kpt #: 277 total cpu time spent up to now is 314.0 secs Computing kpt #: 278 total cpu time spent up to now is 315.1 secs Computing kpt #: 279 total cpu time spent up to now is 316.3 secs Computing kpt #: 280 total cpu time spent up to now is 317.4 secs Computing kpt #: 281 total cpu time spent up to now is 318.5 secs Computing kpt #: 282 total cpu time spent up to now is 319.7 secs Computing kpt #: 283 total cpu time spent up to now is 320.8 secs Computing kpt #: 284 total cpu time spent up to now is 321.9 secs Computing kpt #: 285 total cpu time spent up to now is 322.8 secs Computing kpt #: 286 total cpu time spent up to now is 323.7 secs Computing kpt #: 287 total cpu time spent up to now is 324.6 secs Computing kpt #: 288 total cpu time spent up to now is 325.5 secs Computing kpt #: 289 total cpu time spent up to now is 326.4 secs Computing kpt #: 290 total cpu time spent up to now is 327.3 secs Computing kpt #: 291 total cpu time spent up to now is 328.2 secs Computing kpt #: 292 total cpu time spent up to now is 329.1 secs Computing kpt #: 293 total cpu time spent up to now is 330.0 secs Computing kpt #: 294 total cpu time spent up to now is 330.9 secs Computing kpt #: 295 total cpu time spent up to now is 331.8 secs Computing kpt #: 296 total cpu time spent up to now is 333.0 secs Computing kpt #: 297 total cpu time spent up to now is 334.1 secs Computing kpt #: 298 total cpu time spent up to now is 335.1 secs Computing kpt #: 299 total cpu time spent up to now is 336.0 secs Computing kpt #: 300 total cpu time spent up to now is 337.1 secs Computing kpt #: 301 total cpu time spent up to now is 338.0 secs Computing kpt #: 302 total cpu time spent up to now is 338.9 secs Computing kpt #: 303 total cpu time spent up to now is 339.8 secs Computing kpt #: 304 total cpu time spent up to now is 340.7 secs Computing kpt #: 305 total cpu time spent up to now is 341.6 secs Computing kpt #: 306 total cpu time spent up to now is 342.5 secs Computing kpt #: 307 total cpu time spent up to now is 343.4 secs Computing kpt #: 308 total cpu time spent up to now is 344.5 secs Computing kpt #: 309 total cpu time spent up to now is 345.6 secs Computing kpt #: 310 total cpu time spent up to now is 346.9 secs Computing kpt #: 311 total cpu time spent up to now is 348.5 secs Computing kpt #: 312 total cpu time spent up to now is 349.7 secs Computing kpt #: 313 total cpu time spent up to now is 351.0 secs Computing kpt #: 314 total cpu time spent up to now is 352.2 secs Computing kpt #: 315 total cpu time spent up to now is 353.3 secs Computing kpt #: 316 total cpu time spent up to now is 354.5 secs Computing kpt #: 317 total cpu time spent up to now is 355.6 secs Computing kpt #: 318 total cpu time spent up to now is 356.7 secs Computing kpt #: 319 total cpu time spent up to now is 357.9 secs Computing kpt #: 320 total cpu time spent up to now is 359.0 secs Computing kpt #: 321 total cpu time spent up to now is 360.1 secs Computing kpt #: 322 total cpu time spent up to now is 361.2 secs Computing kpt #: 323 total cpu time spent up to now is 362.3 secs Computing kpt #: 324 total cpu time spent up to now is 363.4 secs Computing kpt #: 325 total cpu time spent up to now is 364.5 secs Computing kpt #: 326 total cpu time spent up to now is 365.6 secs Computing kpt #: 327 total cpu time spent up to now is 366.7 secs Computing kpt #: 328 total cpu time spent up to now is 367.8 secs Computing kpt #: 329 total cpu time spent up to now is 368.9 secs Computing kpt #: 330 total cpu time spent up to now is 370.0 secs Computing kpt #: 331 total cpu time spent up to now is 371.1 secs Computing kpt #: 332 total cpu time spent up to now is 372.2 secs Computing kpt #: 333 total cpu time spent up to now is 373.3 secs Computing kpt #: 334 total cpu time spent up to now is 374.4 secs Computing kpt #: 335 total cpu time spent up to now is 375.5 secs Computing kpt #: 336 total cpu time spent up to now is 376.6 secs Computing kpt #: 337 total cpu time spent up to now is 377.7 secs Computing kpt #: 338 total cpu time spent up to now is 378.8 secs Computing kpt #: 339 total cpu time spent up to now is 379.9 secs Computing kpt #: 340 total cpu time spent up to now is 381.0 secs Computing kpt #: 341 total cpu time spent up to now is 382.1 secs ethr = 2.78E-08, avg # of iterations = 27.5 total cpu time spent up to now is 382.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11223 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.9115 -13.9115 -13.0234 -13.0234 -12.7651 -12.7651 -12.7285 -12.7285 -3.4283 -3.4283 -3.2094 -3.2094 -3.0468 -3.0468 -2.1003 -2.1003 -1.8140 -1.8140 -1.5027 -1.5027 -1.3676 -1.3676 -1.1725 -1.1725 -0.2999 -0.2999 0.0236 0.0236 0.0607 0.0607 0.1410 0.1410 6.9332 6.9332 6.9489 6.9489 8.5042 8.5042 8.7289 8.7289 k =-0.0082 0.0109 0.0138 ( 11233 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.9110 -13.9110 -13.0239 -13.0239 -12.7652 -12.7652 -12.7286 -12.7286 -3.4280 -3.4280 -3.2159 -3.2159 -3.0385 -3.0385 -2.1044 -2.1044 -1.8190 -1.8190 -1.4974 -1.4974 -1.3630 -1.3630 -1.1718 -1.1718 -0.3024 -0.3024 0.0226 0.0226 0.0604 0.0604 0.1407 0.1407 6.9367 6.9367 6.9515 6.9515 8.5041 8.5041 8.7253 8.7253 k =-0.0165 0.0217 0.0276 ( 11243 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.9095 -13.9095 -13.0256 -13.0256 -12.7655 -12.7655 -12.7286 -12.7286 -3.4272 -3.4272 -3.2325 -3.2325 -3.0167 -3.0167 -2.1165 -2.1165 -1.8331 -1.8331 -1.4825 -1.4825 -1.3495 -1.3495 -1.1697 -1.1697 -0.3101 -0.3101 0.0197 0.0197 0.0596 0.0596 0.1401 0.1401 6.9473 6.9473 6.9590 6.9590 8.5035 8.5035 8.7149 8.7149 k =-0.0247 0.0326 0.0413 ( 11243 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.9069 -13.9069 -13.0283 -13.0283 -12.7659 -12.7659 -12.7286 -12.7286 -3.4259 -3.4259 -3.2541 -3.2541 -2.9864 -2.9864 -2.1355 -2.1355 -1.8542 -1.8542 -1.4601 -1.4601 -1.3281 -1.3281 -1.1660 -1.1660 -0.3228 -0.3228 0.0148 0.0148 0.0583 0.0583 0.1390 0.1390 6.9649 6.9649 6.9717 6.9717 8.5027 8.5027 8.6988 8.6988 k =-0.0329 0.0434 0.0551 ( 11233 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.9034 -13.9034 -13.0321 -13.0321 -12.7665 -12.7665 -12.7286 -12.7286 -3.4241 -3.4241 -3.2775 -3.2775 -2.9509 -2.9509 -2.1601 -2.1601 -1.8800 -1.8800 -1.4325 -1.4325 -1.3001 -1.3001 -1.1610 -1.1610 -0.3404 -0.3404 0.0080 0.0080 0.0565 0.0565 0.1375 0.1375 6.9890 6.9890 6.9897 6.9897 8.5014 8.5014 8.6783 8.6783 k =-0.0412 0.0543 0.0689 ( 11235 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8988 -13.8988 -13.0369 -13.0369 -12.7673 -12.7673 -12.7286 -12.7286 -3.4218 -3.4218 -3.3009 -3.3009 -2.9118 -2.9118 -2.1890 -2.1890 -1.9088 -1.9088 -1.4015 -1.4015 -1.2669 -1.2669 -1.1545 -1.1545 -0.3630 -0.3630 -0.0006 -0.0006 0.0544 0.0544 0.1356 0.1356 7.0120 7.0120 7.0204 7.0204 8.4998 8.4998 8.6549 8.6549 k =-0.0494 0.0652 0.0827 ( 11239 PWs) bands (ev): -98.1746 -98.1746 -98.1736 -98.1736 -13.8933 -13.8933 -13.0428 -13.0428 -12.7682 -12.7682 -12.7287 -12.7287 -3.4190 -3.4190 -3.3237 -3.3237 -2.8702 -2.8702 -2.2209 -2.2209 -1.9393 -1.9393 -1.3683 -1.3683 -1.2301 -1.2301 -1.1464 -1.1464 -0.3903 -0.3903 -0.0110 -0.0110 0.0519 0.0519 0.1334 0.1334 7.0397 7.0397 7.0578 7.0578 8.4978 8.4978 8.6298 8.6298 k =-0.0576 0.0760 0.0964 ( 11241 PWs) bands (ev): -98.1746 -98.1746 -98.1736 -98.1736 -13.8867 -13.8867 -13.0497 -13.0497 -12.7693 -12.7693 -12.7288 -12.7288 -3.4157 -3.4157 -3.3453 -3.3453 -2.8264 -2.8264 -2.2548 -2.2548 -1.9707 -1.9707 -1.3339 -1.3339 -1.1908 -1.1908 -1.1367 -1.1367 -0.4222 -0.4222 -0.0231 -0.0231 0.0492 0.0492 0.1308 0.1308 7.0724 7.0724 7.1011 7.1011 8.4954 8.4954 8.6038 8.6038 k =-0.0658 0.0869 0.1102 ( 11229 PWs) bands (ev): -98.1746 -98.1746 -98.1736 -98.1736 -13.8792 -13.8792 -13.0576 -13.0576 -12.7706 -12.7706 -12.7289 -12.7289 -3.4120 -3.4120 -3.3655 -3.3655 -2.7808 -2.7808 -2.2897 -2.2897 -2.0024 -2.0024 -1.2988 -1.2988 -1.1513 -1.1513 -1.1242 -1.1242 -0.4584 -0.4584 -0.0369 -0.0369 0.0464 0.0464 0.1280 0.1280 7.1101 7.1101 7.1501 7.1501 8.4924 8.4924 8.5777 8.5777 k =-0.0741 0.0977 0.1240 ( 11243 PWs) bands (ev): -98.1746 -98.1746 -98.1736 -98.1736 -13.8707 -13.8707 -13.0665 -13.0665 -12.7720 -12.7720 -12.7290 -12.7290 -3.4078 -3.4078 -3.3841 -3.3841 -2.7338 -2.7338 -2.3250 -2.3250 -2.0340 -2.0340 -1.2636 -1.2636 -1.1211 -1.1211 -1.1001 -1.1001 -0.4987 -0.4987 -0.0522 -0.0522 0.0436 0.0436 0.1249 0.1249 7.1528 7.1528 7.2042 7.2042 8.4890 8.4890 8.5521 8.5521 k =-0.0823 0.1086 0.1378 ( 11242 PWs) bands (ev): -98.1746 -98.1746 -98.1736 -98.1736 -13.8613 -13.8613 -13.0762 -13.0762 -12.7737 -12.7737 -12.7291 -12.7291 -3.4033 -3.4033 -3.4010 -3.4010 -2.6854 -2.6854 -2.3600 -2.3600 -2.0651 -2.0651 -1.2285 -1.2285 -1.1047 -1.1047 -1.0611 -1.0611 -0.5428 -0.5428 -0.0690 -0.0690 0.0408 0.0408 0.1217 0.1217 7.2003 7.2003 7.2628 7.2628 8.4850 8.4850 8.5276 8.5276 k =-0.0905 0.1195 0.1516 ( 11254 PWs) bands (ev): -98.1746 -98.1746 -98.1737 -98.1737 -13.8510 -13.8510 -13.0869 -13.0869 -12.7755 -12.7755 -12.7292 -12.7292 -3.4166 -3.4166 -3.3980 -3.3980 -2.6361 -2.6361 -2.3943 -2.3943 -2.0954 -2.0954 -1.1938 -1.1938 -1.0894 -1.0894 -1.0202 -1.0202 -0.5904 -0.5904 -0.0871 -0.0871 0.0383 0.0383 0.1184 0.1184 7.2526 7.2526 7.3254 7.3254 8.4797 8.4797 8.5051 8.5051 k =-0.0988 0.1303 0.1653 ( 11266 PWs) bands (ev): -98.1746 -98.1746 -98.1737 -98.1737 -13.8397 -13.8397 -13.0985 -13.0985 -12.7774 -12.7774 -12.7294 -12.7294 -3.4304 -3.4304 -3.3926 -3.3926 -2.5863 -2.5863 -2.4269 -2.4269 -2.1248 -2.1248 -1.1597 -1.1597 -1.0733 -1.0733 -0.9802 -0.9802 -0.6412 -0.6412 -0.1065 -0.1065 0.0360 0.0360 0.1151 0.1151 7.3097 7.3097 7.3912 7.3912 8.4708 8.4708 8.4872 8.4872 k =-0.1070 0.1412 0.1791 ( 11262 PWs) bands (ev): -98.1746 -98.1746 -98.1737 -98.1737 -13.8275 -13.8275 -13.1109 -13.1109 -12.7795 -12.7795 -12.7296 -12.7296 -3.4424 -3.4424 -3.3868 -3.3868 -2.5381 -2.5381 -2.4559 -2.4559 -2.1530 -2.1530 -1.1266 -1.1266 -1.0563 -1.0563 -0.9420 -0.9420 -0.6946 -0.6946 -0.1271 -0.1271 0.0340 0.0340 0.1121 0.1121 7.3716 7.3716 7.4594 7.4594 8.4551 8.4551 8.4775 8.4775 k =-0.1152 0.1520 0.1929 ( 11264 PWs) bands (ev): -98.1745 -98.1745 -98.1737 -98.1737 -13.8145 -13.8145 -13.1240 -13.1240 -12.7818 -12.7818 -12.7299 -12.7299 -3.4528 -3.4528 -3.3807 -3.3807 -2.5108 -2.5108 -2.4618 -2.4618 -2.1799 -2.1799 -1.0946 -1.0946 -1.0383 -1.0383 -0.9065 -0.9065 -0.7498 -0.7498 -0.1487 -0.1487 0.0323 0.0323 0.1095 0.1095 7.4380 7.4380 7.5291 7.5291 8.4375 8.4375 8.4714 8.4714 k =-0.1235 0.1629 0.2067 ( 11254 PWs) bands (ev): -98.1745 -98.1745 -98.1737 -98.1737 -13.8006 -13.8006 -13.1379 -13.1379 -12.7843 -12.7843 -12.7302 -12.7302 -3.4616 -3.4616 -3.3742 -3.3742 -2.5289 -2.5289 -2.4202 -2.4202 -2.2050 -2.2050 -1.0644 -1.0644 -1.0198 -1.0198 -0.8759 -0.8759 -0.8042 -0.8042 -0.1711 -0.1711 0.0309 0.0309 0.1076 0.1076 7.5089 7.5089 7.5990 7.5990 8.4210 8.4210 8.4661 8.4661 k =-0.1317 0.1738 0.2204 ( 11260 PWs) bands (ev): -98.1745 -98.1745 -98.1737 -98.1737 -13.7860 -13.7860 -13.1525 -13.1525 -12.7869 -12.7869 -12.7305 -12.7305 -3.4687 -3.4687 -3.3675 -3.3675 -2.5543 -2.5543 -2.3697 -2.3697 -2.2279 -2.2279 -1.0371 -1.0371 -1.0015 -1.0015 -0.8756 -0.8756 -0.8303 -0.8303 -0.1944 -0.1944 0.0296 0.0296 0.1066 0.1066 7.5842 7.5842 7.6678 7.6678 8.4063 8.4063 8.4610 8.4610 k =-0.1399 0.1846 0.2342 ( 11262 PWs) bands (ev): -98.1745 -98.1745 -98.1738 -98.1738 -13.7705 -13.7705 -13.1677 -13.1677 -12.7897 -12.7897 -12.7309 -12.7309 -3.4743 -3.4743 -3.3605 -3.3605 -2.5791 -2.5791 -2.3208 -2.3208 -2.2458 -2.2458 -1.0203 -1.0203 -0.9854 -0.9854 -0.9147 -0.9147 -0.8099 -0.8099 -0.2183 -0.2183 0.0281 0.0281 0.1069 0.1069 7.6636 7.6636 7.7339 7.7339 8.3938 8.3938 8.4561 8.4561 k =-0.1482 0.1955 0.2480 ( 11270 PWs) bands (ev): -98.1745 -98.1745 -98.1738 -98.1738 -13.7542 -13.7542 -13.1835 -13.1835 -12.7927 -12.7927 -12.7313 -12.7313 -3.4784 -3.4784 -3.3533 -3.3533 -2.6022 -2.6022 -2.2936 -2.2936 -2.2395 -2.2395 -1.0418 -1.0418 -0.9668 -0.9668 -0.9253 -0.9253 -0.7879 -0.7879 -0.2427 -0.2427 0.0263 0.0263 0.1087 0.1087 7.7470 7.7470 7.7956 7.7956 8.3837 8.3837 8.4515 8.4515 k =-0.1564 0.2063 0.2618 ( 11262 PWs) bands (ev): -98.1744 -98.1744 -98.1738 -98.1738 -13.7373 -13.7373 -13.1999 -13.1999 -12.7958 -12.7958 -12.7318 -12.7318 -3.4809 -3.4809 -3.3459 -3.3459 -2.6233 -2.6233 -2.3024 -2.3024 -2.1952 -2.1952 -1.0961 -1.0961 -0.9436 -0.9436 -0.9104 -0.9104 -0.7689 -0.7689 -0.2675 -0.2675 0.0240 0.0240 0.1122 0.1122 7.8341 7.8341 7.8507 7.8507 8.3761 8.3761 8.4473 8.4473 k =-0.1646 0.2172 0.2756 ( 11278 PWs) bands (ev): -98.1744 -98.1744 -98.1738 -98.1738 -13.7196 -13.7196 -13.2167 -13.2167 -12.7990 -12.7990 -12.7323 -12.7323 -3.4821 -3.4821 -3.3384 -3.3384 -2.6422 -2.6422 -2.3176 -2.3176 -2.1425 -2.1425 -1.1601 -1.1601 -0.9197 -0.9197 -0.8886 -0.8886 -0.7535 -0.7535 -0.2925 -0.2925 0.0211 0.0211 0.1173 0.1173 7.8970 7.8970 7.9246 7.9246 8.3711 8.3711 8.4437 8.4437 k =-0.1729 0.2281 0.2893 ( 11280 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.7013 -13.7013 -13.2340 -13.2340 -12.8024 -12.8024 -12.7329 -12.7329 -3.4819 -3.4819 -3.3308 -3.3308 -2.6588 -2.6588 -2.3324 -2.3324 -2.0885 -2.0885 -1.2276 -1.2276 -0.8964 -0.8964 -0.8643 -0.8643 -0.7418 -0.7418 -0.3176 -0.3176 0.0177 0.0177 0.1238 0.1238 7.9325 7.9325 8.0182 8.0182 8.3690 8.3690 8.4406 8.4406 k =-0.1811 0.2389 0.3031 ( 11284 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.6824 -13.6824 -13.2516 -13.2516 -12.8060 -12.8060 -12.7335 -12.7335 -3.4804 -3.4804 -3.3232 -3.3232 -2.6729 -2.6729 -2.3458 -2.3458 -2.0341 -2.0341 -1.2969 -1.2969 -0.8743 -0.8743 -0.8388 -0.8388 -0.7336 -0.7336 -0.3427 -0.3427 0.0138 0.0138 0.1314 0.1314 7.9556 7.9556 8.1145 8.1145 8.3697 8.3697 8.4384 8.4384 k =-0.1893 0.2498 0.3169 ( 11276 PWs) bands (ev): -98.1743 -98.1743 -98.1739 -98.1739 -13.6629 -13.6629 -13.2696 -13.2696 -12.8096 -12.8096 -12.7342 -12.7342 -3.4777 -3.4777 -3.3155 -3.3155 -2.6846 -2.6846 -2.3575 -2.3575 -1.9799 -1.9799 -1.3673 -1.3673 -0.8539 -0.8539 -0.8121 -0.8121 -0.7287 -0.7287 -0.3676 -0.3676 0.0096 0.0096 0.1395 0.1395 7.9656 7.9656 8.2127 8.2127 8.3735 8.3735 8.4370 8.4370 k =-0.1975 0.2606 0.3307 ( 11284 PWs) bands (ev): -98.1743 -98.1743 -98.1739 -98.1739 -13.6428 -13.6428 -13.2879 -13.2879 -12.8135 -12.8135 -12.7350 -12.7350 -3.4738 -3.4738 -3.3079 -3.3079 -2.6938 -2.6938 -2.3672 -2.3672 -1.9262 -1.9262 -1.4382 -1.4382 -0.8354 -0.8354 -0.7847 -0.7847 -0.7267 -0.7267 -0.3922 -0.3922 0.0052 0.0052 0.1476 0.1476 7.9626 7.9626 8.3121 8.3121 8.3804 8.3804 8.4365 8.4365 k =-0.2058 0.2715 0.3445 ( 11282 PWs) bands (ev): -98.1743 -98.1743 -98.1740 -98.1740 -13.6223 -13.6223 -13.3064 -13.3064 -12.8174 -12.8174 -12.7358 -12.7358 -3.4688 -3.4688 -3.3004 -3.3004 -2.7003 -2.7003 -2.3749 -2.3749 -1.8731 -1.8731 -1.5095 -1.5095 -0.8189 -0.8189 -0.7575 -0.7575 -0.7262 -0.7262 -0.4163 -0.4163 0.0007 0.0007 0.1553 0.1553 7.9479 7.9479 8.3900 8.3900 8.4121 8.4121 8.4371 8.4371 k =-0.2140 0.2824 0.3582 ( 11280 PWs) bands (ev): -98.1742 -98.1742 -98.1740 -98.1740 -13.6013 -13.6013 -13.3250 -13.3250 -12.8214 -12.8214 -12.7367 -12.7367 -3.4628 -3.4628 -3.2931 -3.2931 -2.7043 -2.7043 -2.3806 -2.3806 -1.8208 -1.8208 -1.5807 -1.5807 -0.8046 -0.8046 -0.7402 -0.7402 -0.7175 -0.7175 -0.4397 -0.4397 -0.0038 -0.0038 0.1621 0.1621 7.9232 7.9232 8.4036 8.4036 8.4384 8.4384 8.5103 8.5103 k =-0.2222 0.2932 0.3720 ( 11284 PWs) bands (ev): -98.1742 -98.1742 -98.1740 -98.1740 -13.5799 -13.5799 -13.3438 -13.3438 -12.8256 -12.8256 -12.7377 -12.7377 -3.4559 -3.4559 -3.2859 -3.2859 -2.7057 -2.7057 -2.3843 -2.3843 -1.7695 -1.7695 -1.6517 -1.6517 -0.7924 -0.7924 -0.7422 -0.7422 -0.6909 -0.6909 -0.4624 -0.4624 -0.0083 -0.0083 0.1675 0.1675 7.8909 7.8909 8.4201 8.4201 8.4408 8.4408 8.6047 8.6047 k =-0.2305 0.3041 0.3858 ( 11280 PWs) bands (ev): -98.1742 -98.1742 -98.1741 -98.1741 -13.5581 -13.5581 -13.3626 -13.3626 -12.8298 -12.8298 -12.7387 -12.7387 -3.4481 -3.4481 -3.2791 -3.2791 -2.7043 -2.7043 -2.3858 -2.3858 -1.7242 -1.7242 -1.7174 -1.7174 -0.7824 -0.7824 -0.7493 -0.7493 -0.6604 -0.6604 -0.4842 -0.4842 -0.0126 -0.0126 0.1711 0.1711 7.8529 7.8529 8.4388 8.4388 8.4451 8.4451 8.6913 8.6913 k =-0.2387 0.3149 0.3996 ( 11276 PWs) bands (ev): -98.1742 -98.1742 -98.1741 -98.1741 -13.5361 -13.5361 -13.3815 -13.3815 -12.8341 -12.8341 -12.7398 -12.7398 -3.4395 -3.4395 -3.2725 -3.2725 -2.7004 -2.7004 -2.3853 -2.3853 -1.7923 -1.7923 -1.6705 -1.6705 -0.7747 -0.7747 -0.7586 -0.7586 -0.6287 -0.6287 -0.5049 -0.5049 -0.0168 -0.0168 0.1725 0.1725 7.8112 7.8112 8.4464 8.4464 8.4645 8.4645 8.7626 8.7626 k =-0.2469 0.3258 0.4133 ( 11272 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.5138 -13.5138 -13.4003 -13.4003 -12.8385 -12.8385 -12.7409 -12.7409 -3.4303 -3.4303 -3.2664 -3.2664 -2.6938 -2.6938 -2.3826 -2.3826 -1.8612 -1.8612 -1.6232 -1.6232 -0.7715 -0.7715 -0.7670 -0.7670 -0.5967 -0.5967 -0.5241 -0.5241 -0.0209 -0.0209 0.1714 0.1714 7.7675 7.7675 8.4503 8.4503 8.4910 8.4910 8.8065 8.8065 k =-0.2552 0.3367 0.4271 ( 11258 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4914 -13.4914 -13.4190 -13.4190 -12.8429 -12.8429 -12.7421 -12.7421 -3.4205 -3.4205 -3.2608 -3.2608 -2.6845 -2.6845 -2.3779 -2.3779 -1.9291 -1.9291 -1.5777 -1.5777 -0.7824 -0.7824 -0.7646 -0.7646 -0.5658 -0.5658 -0.5403 -0.5403 -0.0249 -0.0249 0.1675 0.1675 7.7231 7.7231 8.4536 8.4536 8.5211 8.5211 8.8090 8.8090 k =-0.2634 0.3475 0.4409 ( 11258 PWs) bands (ev): -98.1742 -98.1742 -98.1741 -98.1741 -13.4687 -13.4687 -13.4376 -13.4376 -12.8474 -12.8474 -12.7433 -12.7433 -3.4102 -3.4102 -3.2557 -3.2557 -2.6726 -2.6726 -2.3711 -2.3711 -1.9956 -1.9956 -1.5340 -1.5340 -0.7955 -0.7955 -0.7631 -0.7631 -0.5623 -0.5623 -0.5272 -0.5272 -0.0289 -0.0289 0.1607 0.1607 7.6789 7.6789 8.4559 8.4559 8.5546 8.5546 8.7688 8.7688 k =-0.2716 0.3584 0.4547 ( 11246 PWs) bands (ev): -98.1742 -98.1742 -98.1740 -98.1740 -13.4560 -13.4560 -13.4461 -13.4461 -12.8520 -12.8520 -12.7446 -12.7446 -3.3995 -3.3995 -3.2513 -3.2513 -2.6580 -2.6580 -2.3623 -2.3623 -2.0605 -2.0605 -1.4923 -1.4923 -0.8095 -0.8095 -0.7634 -0.7634 -0.5763 -0.5763 -0.4948 -0.4948 -0.0330 -0.0330 0.1508 0.1508 7.6360 7.6360 8.4564 8.4564 8.5912 8.5912 8.6992 8.6992 k =-0.2799 0.3692 0.4685 ( 11250 PWs) bands (ev): -98.1742 -98.1742 -98.1740 -98.1740 -13.4742 -13.4742 -13.4234 -13.4234 -12.8565 -12.8565 -12.7459 -12.7459 -3.3884 -3.3884 -3.2477 -3.2477 -2.6409 -2.6409 -2.3516 -2.3516 -2.1236 -2.1236 -1.4528 -1.4528 -0.8242 -0.8242 -0.7655 -0.7655 -0.5894 -0.5894 -0.4613 -0.4613 -0.0372 -0.0372 0.1376 0.1376 7.5949 7.5949 8.4544 8.4544 8.6139 8.6139 8.6310 8.6310 k =-0.2881 0.3801 0.4822 ( 11246 PWs) bands (ev): -98.1743 -98.1743 -98.1740 -98.1740 -13.4921 -13.4921 -13.4007 -13.4007 -12.8611 -12.8611 -12.7473 -12.7473 -3.3771 -3.3771 -3.2449 -3.2449 -2.6212 -2.6212 -2.3392 -2.3392 -2.1843 -2.1843 -1.4156 -1.4156 -0.8393 -0.8393 -0.7694 -0.7694 -0.6009 -0.6009 -0.4276 -0.4276 -0.0416 -0.0416 0.1211 0.1211 7.5562 7.5562 8.4490 8.4490 8.5213 8.5213 8.6734 8.6734 k =-0.2963 0.3910 0.4960 ( 11242 PWs) bands (ev): -98.1743 -98.1743 -98.1740 -98.1740 -13.5097 -13.5097 -13.3782 -13.3782 -12.8656 -12.8656 -12.7486 -12.7486 -3.3656 -3.3656 -3.2431 -3.2431 -2.5990 -2.5990 -2.3263 -2.3263 -2.2413 -2.2413 -1.3809 -1.3809 -0.8547 -0.8547 -0.7750 -0.7750 -0.6105 -0.6105 -0.3939 -0.3939 -0.0463 -0.0463 0.1012 0.1012 7.5204 7.5204 8.4258 8.4258 8.4395 8.4395 8.7184 8.7184 k =-0.3046 0.4018 0.5098 ( 11250 PWs) bands (ev): -98.1743 -98.1743 -98.1739 -98.1739 -13.5269 -13.5269 -13.3559 -13.3559 -12.8702 -12.8702 -12.7501 -12.7501 -3.3540 -3.3540 -3.2424 -3.2424 -2.5744 -2.5744 -2.3234 -2.3234 -2.2841 -2.2841 -1.3487 -1.3487 -0.8703 -0.8703 -0.7821 -0.7821 -0.6181 -0.6181 -0.3602 -0.3602 -0.0514 -0.0514 0.0780 0.0780 7.4877 7.4877 8.3302 8.3302 8.4251 8.4251 8.7653 8.7653 k =-0.3128 0.4127 0.5236 ( 11236 PWs) bands (ev): -98.1743 -98.1743 -98.1739 -98.1739 -13.5438 -13.5438 -13.3338 -13.3338 -12.8747 -12.8747 -12.7515 -12.7515 -3.3424 -3.3424 -3.2429 -3.2429 -2.5475 -2.5475 -2.3621 -2.3621 -2.2804 -2.2804 -1.3192 -1.3192 -0.8860 -0.8860 -0.7906 -0.7906 -0.6237 -0.6237 -0.3269 -0.3269 -0.0570 -0.0570 0.0515 0.0515 7.4584 7.4584 8.2357 8.2357 8.4059 8.4059 8.8138 8.8138 k =-0.3210 0.4235 0.5373 ( 11240 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5602 -13.5602 -13.3120 -13.3120 -12.8791 -12.8791 -12.7529 -12.7529 -3.3309 -3.3309 -3.2447 -3.2447 -2.5189 -2.5189 -2.4103 -2.4103 -2.2620 -2.2620 -1.2924 -1.2924 -0.9016 -0.9016 -0.8005 -0.8005 -0.6272 -0.6272 -0.2940 -0.2940 -0.0632 -0.0632 0.0219 0.0219 7.4328 7.4328 8.1434 8.1434 8.3821 8.3821 8.8628 8.8628 k =-0.3210 0.4235 0.5373 ( 11240 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5602 -13.5602 -13.3120 -13.3120 -12.8791 -12.8791 -12.7529 -12.7529 -3.3309 -3.3309 -3.2447 -3.2447 -2.5189 -2.5189 -2.4103 -2.4103 -2.2620 -2.2620 -1.2924 -1.2924 -0.9016 -0.9016 -0.8005 -0.8005 -0.6272 -0.6272 -0.2940 -0.2940 -0.0632 -0.0632 0.0219 0.0219 7.4328 7.4328 8.1434 8.1434 8.3821 8.3821 8.8628 8.8628 k =-0.3130 0.4129 0.5505 ( 11232 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5601 -13.5601 -13.3118 -13.3118 -12.8791 -12.8791 -12.7532 -12.7532 -3.3310 -3.3310 -3.2457 -3.2457 -2.5215 -2.5215 -2.4072 -2.4072 -2.2632 -2.2632 -1.2912 -1.2912 -0.9015 -0.9015 -0.8020 -0.8020 -0.6255 -0.6255 -0.2934 -0.2934 -0.0632 -0.0632 0.0220 0.0220 7.4345 7.4345 8.1436 8.1436 8.3812 8.3812 8.8625 8.8625 k =-0.3049 0.4023 0.5637 ( 11230 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5598 -13.5598 -13.3115 -13.3115 -12.8790 -12.8790 -12.7538 -12.7538 -3.3312 -3.3312 -3.2486 -3.2486 -2.5284 -2.5284 -2.3986 -2.3986 -2.2667 -2.2667 -1.2876 -1.2876 -0.9012 -0.9012 -0.8063 -0.8063 -0.6206 -0.6206 -0.2919 -0.2919 -0.0631 -0.0631 0.0223 0.0223 7.4397 7.4397 8.1439 8.1439 8.3786 8.3786 8.8614 8.8614 k =-0.2968 0.3916 0.5770 ( 11231 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5594 -13.5594 -13.3109 -13.3109 -12.8788 -12.8788 -12.7550 -12.7550 -3.3316 -3.3316 -3.2535 -3.2535 -2.5381 -2.5381 -2.3862 -2.3862 -2.2725 -2.2725 -1.2817 -1.2817 -0.9008 -0.9008 -0.8130 -0.8130 -0.6130 -0.6130 -0.2893 -0.2893 -0.0630 -0.0630 0.0228 0.0228 7.4482 7.4482 8.1446 8.1446 8.3743 8.3743 8.8598 8.8598 k =-0.2888 0.3810 0.5902 ( 11238 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5588 -13.5588 -13.3100 -13.3100 -12.8786 -12.8786 -12.7566 -12.7566 -3.3321 -3.3321 -3.2601 -3.2601 -2.5492 -2.5492 -2.3717 -2.3717 -2.2800 -2.2800 -1.2736 -1.2736 -0.9002 -0.9002 -0.8216 -0.8216 -0.6031 -0.6031 -0.2857 -0.2857 -0.0629 -0.0629 0.0236 0.0236 7.4600 7.4600 8.1454 8.1454 8.3687 8.3687 8.8575 8.8575 k =-0.2807 0.3703 0.6034 ( 11238 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5580 -13.5580 -13.3089 -13.3089 -12.8783 -12.8783 -12.7586 -12.7586 -3.3328 -3.3328 -3.2684 -3.2684 -2.5608 -2.5608 -2.3566 -2.3566 -2.2887 -2.2887 -1.2634 -1.2634 -0.8995 -0.8995 -0.8315 -0.8315 -0.5914 -0.5914 -0.2814 -0.2814 -0.0627 -0.0627 0.0247 0.0247 7.4750 7.4750 8.1464 8.1464 8.3620 8.3620 8.8547 8.8547 k =-0.2726 0.3597 0.6166 ( 11240 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5572 -13.5572 -13.3076 -13.3076 -12.8779 -12.8779 -12.7610 -12.7610 -3.3337 -3.3337 -3.2784 -3.2784 -2.5723 -2.5723 -2.3431 -2.3431 -2.2966 -2.2966 -1.2514 -1.2514 -0.8989 -0.8989 -0.8424 -0.8424 -0.5785 -0.5785 -0.2762 -0.2762 -0.0625 -0.0625 0.0261 0.0261 7.4931 7.4931 8.1476 8.1476 8.3546 8.3546 8.8514 8.8514 k =-0.2646 0.3491 0.6298 ( 11247 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5561 -13.5561 -13.3061 -13.3061 -12.8775 -12.8775 -12.7638 -12.7638 -3.3347 -3.3347 -3.2897 -3.2897 -2.5836 -2.5836 -2.3374 -2.3374 -2.2978 -2.2978 -1.2377 -1.2377 -0.8985 -0.8985 -0.8535 -0.8535 -0.5646 -0.5646 -0.2705 -0.2705 -0.0622 -0.0622 0.0279 0.0279 7.5139 7.5139 8.1488 8.1488 8.3470 8.3470 8.8478 8.8478 k =-0.2565 0.3384 0.6430 ( 11242 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5550 -13.5550 -13.3044 -13.3044 -12.8770 -12.8770 -12.7669 -12.7669 -3.3360 -3.3360 -3.3023 -3.3023 -2.5944 -2.5944 -2.3441 -2.3441 -2.2875 -2.2875 -1.2225 -1.2225 -0.8991 -0.8991 -0.8641 -0.8641 -0.5501 -0.5501 -0.2644 -0.2644 -0.0618 -0.0618 0.0303 0.0303 7.5373 7.5373 8.1500 8.1500 8.3395 8.3395 8.8440 8.8440 k =-0.2484 0.3278 0.6562 ( 11248 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5538 -13.5538 -13.3025 -13.3025 -12.8764 -12.8764 -12.7705 -12.7705 -3.3375 -3.3375 -3.3159 -3.3159 -2.6047 -2.6047 -2.3572 -2.3572 -2.2717 -2.2717 -1.2060 -1.2060 -0.9022 -0.9022 -0.8724 -0.8724 -0.5351 -0.5351 -0.2580 -0.2580 -0.0614 -0.0614 0.0331 0.0331 7.5630 7.5630 8.1511 8.1511 8.3328 8.3328 8.8402 8.8402 k =-0.2404 0.3171 0.6694 ( 11252 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5525 -13.5525 -13.3004 -13.3004 -12.8757 -12.8757 -12.7743 -12.7743 -3.3394 -3.3394 -3.3303 -3.3303 -2.6144 -2.6144 -2.3727 -2.3727 -2.2544 -2.2544 -1.1886 -1.1886 -0.9097 -0.9097 -0.8764 -0.8764 -0.5199 -0.5199 -0.2515 -0.2515 -0.0609 -0.0609 0.0366 0.0366 7.5907 7.5907 8.1520 8.1520 8.3272 8.3272 8.8365 8.8365 k =-0.2323 0.3065 0.6826 ( 11254 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5511 -13.5511 -13.2981 -13.2981 -12.8750 -12.8750 -12.7784 -12.7784 -3.3465 -3.3465 -3.3403 -3.3403 -2.6235 -2.6235 -2.3893 -2.3893 -2.2367 -2.2367 -1.1704 -1.1704 -0.9209 -0.9209 -0.8766 -0.8766 -0.5045 -0.5045 -0.2450 -0.2450 -0.0603 -0.0603 0.0407 0.0407 7.6200 7.6200 8.1525 8.1525 8.3234 8.3234 8.8333 8.8333 k =-0.2243 0.2959 0.6958 ( 11252 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5498 -13.5498 -13.2957 -13.2957 -12.8741 -12.8741 -12.7827 -12.7827 -3.3619 -3.3619 -3.3429 -3.3429 -2.6320 -2.6320 -2.4064 -2.4064 -2.2191 -2.2191 -1.1517 -1.1517 -0.9339 -0.9339 -0.8749 -0.8749 -0.4891 -0.4891 -0.2389 -0.2389 -0.0598 -0.0598 0.0455 0.0455 7.6505 7.6505 8.1526 8.1526 8.3218 8.3218 8.8308 8.8308 k =-0.2162 0.2852 0.7090 ( 11246 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5484 -13.5484 -13.2932 -13.2932 -12.8731 -12.8731 -12.7873 -12.7873 -3.3779 -3.3779 -3.3454 -3.3454 -2.6399 -2.6399 -2.4237 -2.4237 -2.2017 -2.2017 -1.1329 -1.1329 -0.9477 -0.9477 -0.8719 -0.8719 -0.4738 -0.4738 -0.2332 -0.2332 -0.0592 -0.0592 0.0511 0.0511 7.6816 7.6816 8.1520 8.1520 8.3231 8.3231 8.8293 8.8293 k =-0.2081 0.2746 0.7222 ( 11240 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5470 -13.5470 -13.2906 -13.2906 -12.8721 -12.8721 -12.7920 -12.7920 -3.3942 -3.3942 -3.3481 -3.3481 -2.6472 -2.6472 -2.4407 -2.4407 -2.1847 -2.1847 -1.1145 -1.1145 -0.9614 -0.9614 -0.8683 -0.8683 -0.4586 -0.4586 -0.2281 -0.2281 -0.0587 -0.0587 0.0573 0.0573 7.7130 7.7130 8.1508 8.1508 8.3277 8.3277 8.8289 8.8289 k =-0.2001 0.2640 0.7354 ( 11237 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5458 -13.5458 -13.2878 -13.2878 -12.8709 -12.8709 -12.7968 -12.7968 -3.4106 -3.4106 -3.3512 -3.3512 -2.6541 -2.6541 -2.4574 -2.4574 -2.1682 -2.1682 -1.0972 -1.0972 -0.9741 -0.9741 -0.8640 -0.8640 -0.4436 -0.4436 -0.2237 -0.2237 -0.0584 -0.0584 0.0643 0.0643 7.7441 7.7441 8.1489 8.1489 8.3362 8.3362 8.8299 8.8299 k =-0.1920 0.2533 0.7486 ( 11233 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5446 -13.5446 -13.2850 -13.2850 -12.8695 -12.8695 -12.8017 -12.8017 -3.4268 -3.4268 -3.3545 -3.3545 -2.6603 -2.6603 -2.4734 -2.4734 -2.1523 -2.1523 -1.0829 -1.0829 -0.9844 -0.9844 -0.8593 -0.8593 -0.4288 -0.4288 -0.2200 -0.2200 -0.0582 -0.0582 0.0719 0.0719 7.7745 7.7745 8.1462 8.1462 8.3487 8.3487 8.8325 8.8325 k =-0.1839 0.2427 0.7618 ( 11251 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5435 -13.5435 -13.2821 -13.2821 -12.8681 -12.8681 -12.8067 -12.8067 -3.4428 -3.4428 -3.3582 -3.3582 -2.6661 -2.6661 -2.4886 -2.4886 -2.1370 -2.1370 -1.0742 -1.0742 -0.9893 -0.9893 -0.8542 -0.8542 -0.4142 -0.4142 -0.2171 -0.2171 -0.0584 -0.0584 0.0799 0.0799 7.8039 7.8039 8.1427 8.1427 8.3656 8.3656 8.8364 8.8364 k =-0.1759 0.2320 0.7750 ( 11255 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5426 -13.5426 -13.2792 -13.2792 -12.8665 -12.8665 -12.8116 -12.8116 -3.4583 -3.4583 -3.3622 -3.3622 -2.6713 -2.6713 -2.5028 -2.5028 -2.1224 -2.1224 -1.0742 -1.0742 -0.9861 -0.9861 -0.8487 -0.8487 -0.3998 -0.3998 -0.2148 -0.2148 -0.0590 -0.0590 0.0884 0.0884 7.8321 7.8321 8.1386 8.1386 8.3868 8.3868 8.8416 8.8416 k =-0.1678 0.2214 0.7882 ( 11252 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5419 -13.5419 -13.2763 -13.2763 -12.8648 -12.8648 -12.8164 -12.8164 -3.4734 -3.4734 -3.3666 -3.3666 -2.6760 -2.6760 -2.5160 -2.5160 -2.1085 -2.1085 -1.0820 -1.0820 -0.9755 -0.9755 -0.8429 -0.8429 -0.3855 -0.3855 -0.2133 -0.2133 -0.0601 -0.0601 0.0970 0.0970 7.8590 7.8590 8.1339 8.1339 8.4120 8.4120 8.8476 8.8476 k =-0.1597 0.2108 0.8014 ( 11264 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5414 -13.5414 -13.2734 -13.2734 -12.8629 -12.8629 -12.8212 -12.8212 -3.4879 -3.4879 -3.3713 -3.3713 -2.6801 -2.6801 -2.5280 -2.5280 -2.0952 -2.0952 -1.0946 -1.0946 -0.9608 -0.9608 -0.8369 -0.8369 -0.3714 -0.3714 -0.2123 -0.2123 -0.0619 -0.0619 0.1057 0.1057 7.8848 7.8848 8.1289 8.1289 8.4405 8.4405 8.8536 8.8536 k =-0.1517 0.2001 0.8146 ( 11264 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5411 -13.5411 -13.2705 -13.2705 -12.8609 -12.8609 -12.8257 -12.8257 -3.5017 -3.5017 -3.3763 -3.3763 -2.6837 -2.6837 -2.5387 -2.5387 -2.0827 -2.0827 -1.1096 -1.1096 -0.9443 -0.9443 -0.8306 -0.8306 -0.3574 -0.3574 -0.2118 -0.2118 -0.0646 -0.0646 0.1142 0.1142 7.9098 7.9098 8.1237 8.1237 8.4714 8.4714 8.8586 8.8586 k =-0.1436 0.1895 0.8278 ( 11274 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5411 -13.5411 -13.2677 -13.2677 -12.8587 -12.8587 -12.8301 -12.8301 -3.5147 -3.5147 -3.3815 -3.3815 -2.6867 -2.6867 -2.5482 -2.5482 -2.0709 -2.0709 -1.1259 -1.1259 -0.9273 -0.9273 -0.8241 -0.8241 -0.3433 -0.3433 -0.2116 -0.2116 -0.0681 -0.0681 0.1223 0.1223 7.9344 7.9344 8.1186 8.1186 8.5032 8.5032 8.8613 8.8613 k =-0.1436 0.1895 0.8278 ( 11274 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5411 -13.5411 -13.2677 -13.2677 -12.8587 -12.8587 -12.8301 -12.8301 -3.5147 -3.5147 -3.3815 -3.3815 -2.6867 -2.6867 -2.5482 -2.5482 -2.0709 -2.0709 -1.1259 -1.1259 -0.9273 -0.9273 -0.8241 -0.8241 -0.3433 -0.3433 -0.2116 -0.2116 -0.0681 -0.0681 0.1223 0.1223 7.9344 7.9344 8.1186 8.1186 8.5032 8.5032 8.8613 8.8613 k =-0.1326 0.1749 0.8278 ( 11274 PWs) bands (ev): -98.1743 -98.1743 -98.1739 -98.1739 -13.5308 -13.5308 -13.2782 -13.2782 -12.8566 -12.8566 -12.8314 -12.8314 -3.5251 -3.5251 -3.3976 -3.3976 -2.6896 -2.6896 -2.5692 -2.5692 -2.0374 -2.0374 -1.1503 -1.1503 -0.9180 -0.9180 -0.8176 -0.8176 -0.3125 -0.3125 -0.2010 -0.2010 -0.0686 -0.0686 0.1220 0.1220 7.9404 7.9404 8.1181 8.1181 8.5525 8.5525 8.8571 8.8571 k =-0.1215 0.1603 0.8278 ( 11274 PWs) bands (ev): -98.1743 -98.1743 -98.1739 -98.1739 -13.5205 -13.5205 -13.2888 -13.2888 -12.8547 -12.8547 -12.8327 -12.8327 -3.5346 -3.5346 -3.4137 -3.4137 -2.6929 -2.6929 -2.5885 -2.5885 -2.0019 -2.0019 -1.1773 -1.1773 -0.9078 -0.9078 -0.8118 -0.8118 -0.2822 -0.2822 -0.1909 -0.1909 -0.0695 -0.0695 0.1209 0.1209 7.9454 7.9454 8.1135 8.1135 8.6013 8.6013 8.8323 8.8323 k =-0.1105 0.1458 0.8278 ( 11276 PWs) bands (ev): -98.1743 -98.1743 -98.1739 -98.1739 -13.5101 -13.5101 -13.2994 -13.2994 -12.8529 -12.8529 -12.8338 -12.8338 -3.5429 -3.5429 -3.4296 -3.4296 -2.6963 -2.6963 -2.6063 -2.6063 -1.9648 -1.9648 -1.2063 -1.2063 -0.8971 -0.8971 -0.8069 -0.8069 -0.2527 -0.2527 -0.1809 -0.1809 -0.0706 -0.0706 0.1188 0.1188 7.9497 7.9497 8.1060 8.1060 8.6464 8.6464 8.7995 8.7995 k =-0.0994 0.1312 0.8278 ( 11270 PWs) bands (ev): -98.1743 -98.1743 -98.1740 -98.1740 -13.4997 -13.4997 -13.3100 -13.3100 -12.8513 -12.8513 -12.8348 -12.8348 -3.5500 -3.5500 -3.4453 -3.4453 -2.6997 -2.6997 -2.6225 -2.6225 -1.9264 -1.9264 -1.2370 -1.2370 -0.8864 -0.8864 -0.8029 -0.8029 -0.2247 -0.2247 -0.1708 -0.1708 -0.0719 -0.0719 0.1156 0.1156 7.9536 7.9536 8.0965 8.0965 8.6823 8.6823 8.7655 8.7655 k =-0.0884 0.1166 0.8278 ( 11266 PWs) bands (ev): -98.1743 -98.1743 -98.1740 -98.1740 -13.4893 -13.4893 -13.3206 -13.3206 -12.8498 -12.8498 -12.8358 -12.8358 -3.5559 -3.5559 -3.4605 -3.4605 -2.7029 -2.7029 -2.6371 -2.6371 -1.8871 -1.8871 -1.2692 -1.2692 -0.8758 -0.8758 -0.7998 -0.7998 -0.1996 -0.1996 -0.1595 -0.1595 -0.0730 -0.0730 0.1112 0.1112 7.9574 7.9574 8.0858 8.0858 8.7020 8.7020 8.7331 8.7331 k =-0.0773 0.1020 0.8278 ( 11258 PWs) bands (ev): -98.1743 -98.1743 -98.1740 -98.1740 -13.4788 -13.4788 -13.3313 -13.3313 -12.8484 -12.8484 -12.8366 -12.8366 -3.5603 -3.5603 -3.4751 -3.4751 -2.7057 -2.7057 -2.6502 -2.6502 -1.8470 -1.8470 -1.3026 -1.3026 -0.8655 -0.8655 -0.7977 -0.7977 -0.1793 -0.1793 -0.1459 -0.1459 -0.0734 -0.0734 0.1054 0.1054 7.9614 7.9614 8.0744 8.0744 8.7028 8.7028 8.7042 8.7042 k =-0.0663 0.0875 0.8278 ( 11267 PWs) bands (ev): -98.1742 -98.1742 -98.1740 -98.1740 -13.4684 -13.4684 -13.3419 -13.3419 -12.8471 -12.8471 -12.8374 -12.8374 -3.5634 -3.5634 -3.4890 -3.4890 -2.7079 -2.7079 -2.6619 -2.6619 -1.8065 -1.8065 -1.3372 -1.3372 -0.8556 -0.8556 -0.7965 -0.7965 -0.1648 -0.1648 -0.1302 -0.1302 -0.0717 -0.0717 0.0981 0.0981 7.9656 7.9656 8.0630 8.0630 8.6772 8.6772 8.6924 8.6924 k =-0.0552 0.0729 0.8278 ( 11267 PWs) bands (ev): -98.1742 -98.1742 -98.1740 -98.1740 -13.4579 -13.4579 -13.3525 -13.3525 -12.8460 -12.8460 -12.8381 -12.8381 -3.5649 -3.5649 -3.5020 -3.5020 -2.7094 -2.7094 -2.6722 -2.6722 -1.7657 -1.7657 -1.3728 -1.3728 -0.8463 -0.8463 -0.7964 -0.7964 -0.1543 -0.1543 -0.1172 -0.1172 -0.0653 -0.0653 0.0893 0.0893 7.9703 7.9703 8.0517 8.0517 8.6550 8.6550 8.6756 8.6756 k =-0.0442 0.0583 0.8278 ( 11262 PWs) bands (ev): -98.1742 -98.1742 -98.1740 -98.1740 -13.4474 -13.4474 -13.3630 -13.3630 -12.8449 -12.8449 -12.8388 -12.8388 -3.5650 -3.5650 -3.5141 -3.5141 -2.7102 -2.7102 -2.6812 -2.6812 -1.7249 -1.7249 -1.4093 -1.4093 -0.8376 -0.8376 -0.7972 -0.7972 -0.1460 -0.1460 -0.1109 -0.1109 -0.0521 -0.0521 0.0790 0.0790 7.9756 7.9756 8.0408 8.0408 8.6371 8.6371 8.6577 8.6577 k =-0.0331 0.0437 0.8278 ( 11258 PWs) bands (ev): -98.1742 -98.1742 -98.1741 -98.1741 -13.4369 -13.4369 -13.3736 -13.3736 -12.8440 -12.8440 -12.8395 -12.8395 -3.5636 -3.5636 -3.5251 -3.5251 -2.7102 -2.7102 -2.6888 -2.6888 -1.6840 -1.6840 -1.4467 -1.4467 -0.8296 -0.8296 -0.7990 -0.7990 -0.1387 -0.1387 -0.1102 -0.1102 -0.0344 -0.0344 0.0670 0.0670 7.9814 7.9814 8.0304 8.0304 8.6237 8.6237 8.6412 8.6412 k =-0.0221 0.0292 0.8278 ( 11262 PWs) bands (ev): -98.1742 -98.1742 -98.1741 -98.1741 -13.4263 -13.4263 -13.3842 -13.3842 -12.8431 -12.8431 -12.8402 -12.8402 -3.5608 -3.5608 -3.5349 -3.5349 -2.7092 -2.7092 -2.6952 -2.6952 -1.6434 -1.6434 -1.4848 -1.4848 -0.8223 -0.8223 -0.8018 -0.8018 -0.1321 -0.1321 -0.1124 -0.1124 -0.0153 -0.0153 0.0534 0.0534 7.9879 7.9879 8.0206 8.0206 8.6151 8.6151 8.6276 8.6276 k =-0.0110 0.0146 0.8278 ( 11272 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4158 -13.4158 -13.3947 -13.3947 -12.8423 -12.8423 -12.8409 -12.8409 -3.5564 -3.5564 -3.5434 -3.5434 -2.7073 -2.7073 -2.7003 -2.7003 -1.6030 -1.6030 -1.5237 -1.5237 -0.8159 -0.8159 -0.8056 -0.8056 -0.1261 -0.1261 -0.1161 -0.1161 0.0037 0.0037 0.0383 0.0383 7.9951 7.9951 8.0114 8.0114 8.6112 8.6112 8.6177 8.6177 k = 0.0000 0.0000 0.8278 ( 11282 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4053 -13.4053 -13.4053 -13.4053 -12.8416 -12.8416 -12.8416 -12.8416 -3.5506 -3.5506 -3.5506 -3.5506 -2.7044 -2.7044 -2.7044 -2.7044 -1.5631 -1.5631 -1.5631 -1.5631 -0.8103 -0.8103 -0.8103 -0.8103 -0.1208 -0.1208 -0.1208 -0.1208 0.0216 0.0216 0.0216 0.0216 8.0029 8.0029 8.0029 8.0029 8.6122 8.6122 8.6122 8.6122 k = 0.0000 0.0000 0.8278 ( 11282 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4053 -13.4053 -13.4053 -13.4053 -12.8416 -12.8416 -12.8416 -12.8416 -3.5506 -3.5506 -3.5506 -3.5506 -2.7044 -2.7044 -2.7044 -2.7044 -1.5631 -1.5631 -1.5631 -1.5631 -0.8103 -0.8103 -0.8103 -0.8103 -0.1208 -0.1208 -0.1208 -0.1208 0.0216 0.0216 0.0216 0.0216 8.0029 8.0029 8.0029 8.0029 8.6122 8.6122 8.6122 8.6122 k = 0.0147 0.0111 0.8278 ( 11268 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4053 -13.4053 -13.4053 -13.4053 -12.8416 -12.8416 -12.8416 -12.8416 -3.5502 -3.5502 -3.5502 -3.5502 -2.7053 -2.7053 -2.7053 -2.7053 -1.5627 -1.5627 -1.5624 -1.5624 -0.8101 -0.8101 -0.8094 -0.8094 -0.1216 -0.1216 -0.1199 -0.1199 0.0204 0.0204 0.0217 0.0217 8.0041 8.0041 8.0041 8.0041 8.6111 8.6111 8.6114 8.6114 k = 0.0294 0.0223 0.8278 ( 11264 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4053 -13.4053 -13.4053 -13.4053 -12.8416 -12.8416 -12.8416 -12.8416 -3.5491 -3.5491 -3.5491 -3.5491 -2.7081 -2.7081 -2.7080 -2.7080 -1.5612 -1.5612 -1.5606 -1.5606 -0.8089 -0.8089 -0.8075 -0.8075 -0.1225 -0.1225 -0.1190 -0.1190 0.0182 0.0182 0.0207 0.0207 8.0077 8.0077 8.0078 8.0078 8.6081 8.6081 8.6088 8.6088 k = 0.0441 0.0334 0.8278 ( 11256 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4053 -13.4053 -13.4053 -13.4053 -12.8416 -12.8416 -12.8416 -12.8416 -3.5473 -3.5473 -3.5473 -3.5473 -2.7126 -2.7126 -2.7124 -2.7124 -1.5587 -1.5587 -1.5578 -1.5578 -0.8067 -0.8067 -0.8047 -0.8047 -0.1233 -0.1233 -0.1181 -0.1181 0.0148 0.0148 0.0187 0.0187 8.0136 8.0136 8.0138 8.0138 8.6031 8.6031 8.6041 8.6041 k = 0.0588 0.0446 0.8278 ( 11250 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4053 -13.4053 -13.4053 -13.4053 -12.8416 -12.8416 -12.8416 -12.8416 -3.5449 -3.5449 -3.5448 -3.5448 -2.7187 -2.7187 -2.7184 -2.7184 -1.5552 -1.5552 -1.5541 -1.5541 -0.8036 -0.8036 -0.8009 -0.8009 -0.1240 -0.1240 -0.1172 -0.1172 0.0105 0.0105 0.0156 0.0156 8.0219 8.0219 8.0221 8.0221 8.5961 8.5961 8.5973 8.5973 k = 0.0735 0.0557 0.8278 ( 11246 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4053 -13.4053 -13.4053 -13.4053 -12.8416 -12.8416 -12.8416 -12.8416 -3.5418 -3.5418 -3.5417 -3.5417 -2.7261 -2.7261 -2.7258 -2.7258 -1.5510 -1.5510 -1.5497 -1.5497 -0.7995 -0.7995 -0.7964 -0.7964 -0.1247 -0.1247 -0.1163 -0.1163 0.0054 0.0054 0.0117 0.0117 8.0326 8.0326 8.0328 8.0328 8.5868 8.5868 8.5883 8.5883 k = 0.0882 0.0669 0.8278 ( 11246 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4053 -13.4053 -13.4053 -13.4053 -12.8416 -12.8416 -12.8416 -12.8416 -3.5382 -3.5382 -3.5382 -3.5382 -2.7346 -2.7346 -2.7343 -2.7343 -1.5462 -1.5462 -1.5447 -1.5447 -0.7947 -0.7947 -0.7911 -0.7911 -0.1253 -0.1253 -0.1154 -0.1154 -0.0006 -0.0006 0.0070 0.0070 8.0455 8.0455 8.0457 8.0457 8.5752 8.5752 8.5768 8.5768 k = 0.1029 0.0780 0.8278 ( 11242 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4053 -13.4053 -13.4053 -13.4053 -12.8416 -12.8416 -12.8416 -12.8416 -3.5343 -3.5343 -3.5342 -3.5342 -2.7439 -2.7439 -2.7435 -2.7435 -1.5411 -1.5411 -1.5394 -1.5394 -0.7892 -0.7892 -0.7853 -0.7853 -0.1259 -0.1259 -0.1145 -0.1145 -0.0071 -0.0071 0.0017 0.0017 8.0606 8.0606 8.0608 8.0608 8.5611 8.5611 8.5628 8.5628 k = 0.1176 0.0892 0.8278 ( 11240 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4052 -13.4052 -13.4052 -13.4052 -12.8416 -12.8416 -12.8416 -12.8416 -3.5300 -3.5300 -3.5299 -3.5299 -2.7537 -2.7537 -2.7533 -2.7533 -1.5357 -1.5357 -1.5340 -1.5340 -0.7833 -0.7833 -0.7791 -0.7791 -0.1263 -0.1263 -0.1137 -0.1137 -0.0140 -0.0140 -0.0042 -0.0042 8.0778 8.0778 8.0781 8.0781 8.5445 8.5445 8.5462 8.5462 k = 0.1324 0.1003 0.8278 ( 11250 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4052 -13.4052 -13.4052 -13.4052 -12.8417 -12.8417 -12.8417 -12.8417 -3.5256 -3.5256 -3.5255 -3.5255 -2.7637 -2.7637 -2.7633 -2.7633 -1.5303 -1.5303 -1.5286 -1.5286 -0.7770 -0.7770 -0.7728 -0.7728 -0.1265 -0.1265 -0.1130 -0.1130 -0.0211 -0.0211 -0.0104 -0.0104 8.0971 8.0971 8.0974 8.0974 8.5253 8.5253 8.5270 8.5270 k = 0.1471 0.1115 0.8278 ( 11260 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4052 -13.4052 -13.4052 -13.4052 -12.8417 -12.8417 -12.8417 -12.8417 -3.5211 -3.5211 -3.5210 -3.5210 -2.7735 -2.7735 -2.7732 -2.7732 -1.5250 -1.5250 -1.5234 -1.5234 -0.7706 -0.7706 -0.7664 -0.7664 -0.1266 -0.1266 -0.1125 -0.1125 -0.0281 -0.0281 -0.0167 -0.0167 8.1184 8.1184 8.1186 8.1186 8.5037 8.5037 8.5053 8.5053 k = 0.1618 0.1226 0.8278 ( 11256 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4052 -13.4052 -13.4052 -13.4052 -12.8417 -12.8417 -12.8417 -12.8417 -3.5168 -3.5168 -3.5167 -3.5167 -2.7828 -2.7828 -2.7825 -2.7825 -1.5201 -1.5201 -1.5186 -1.5186 -0.7643 -0.7643 -0.7603 -0.7603 -0.1264 -0.1264 -0.1121 -0.1121 -0.0347 -0.0347 -0.0231 -0.0231 8.1414 8.1414 8.1416 8.1416 8.4799 8.4799 8.4813 8.4813 k = 0.1765 0.1338 0.8278 ( 11252 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4052 -13.4052 -13.4052 -13.4052 -12.8417 -12.8417 -12.8417 -12.8417 -3.5128 -3.5128 -3.5127 -3.5127 -2.7914 -2.7914 -2.7911 -2.7911 -1.5157 -1.5157 -1.5144 -1.5144 -0.7583 -0.7583 -0.7547 -0.7547 -0.1259 -0.1259 -0.1121 -0.1121 -0.0405 -0.0405 -0.0292 -0.0292 8.1661 8.1661 8.1663 8.1663 8.4541 8.4541 8.4553 8.4553 k = 0.1912 0.1449 0.8278 ( 11256 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4052 -13.4052 -13.4052 -13.4052 -12.8417 -12.8417 -12.8417 -12.8417 -3.5093 -3.5093 -3.5092 -3.5092 -2.7988 -2.7988 -2.7985 -2.7985 -1.5119 -1.5119 -1.5108 -1.5108 -0.7529 -0.7529 -0.7499 -0.7499 -0.1251 -0.1251 -0.1126 -0.1126 -0.0453 -0.0453 -0.0349 -0.0349 8.1923 8.1923 8.1925 8.1925 8.4267 8.4267 8.4277 8.4277 k = 0.2059 0.1560 0.8278 ( 11258 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4052 -13.4052 -13.4052 -13.4052 -12.8417 -12.8417 -12.8417 -12.8417 -3.5064 -3.5064 -3.5063 -3.5063 -2.8048 -2.8048 -2.8046 -2.8046 -1.5088 -1.5088 -1.5079 -1.5079 -0.7484 -0.7484 -0.7459 -0.7459 -0.1240 -0.1240 -0.1135 -0.1135 -0.0488 -0.0488 -0.0400 -0.0400 8.2199 8.2199 8.2199 8.2199 8.3980 8.3980 8.3989 8.3989 k = 0.2206 0.1672 0.8278 ( 11264 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4052 -13.4052 -13.4052 -13.4052 -12.8417 -12.8417 -12.8417 -12.8417 -3.5042 -3.5042 -3.5041 -3.5041 -2.8093 -2.8093 -2.8092 -2.8092 -1.5064 -1.5064 -1.5058 -1.5058 -0.7448 -0.7448 -0.7431 -0.7431 -0.1225 -0.1225 -0.1149 -0.1149 -0.0508 -0.0508 -0.0444 -0.0444 8.2484 8.2484 8.2484 8.2484 8.3685 8.3685 8.3692 8.3692 k = 0.2353 0.1783 0.8278 ( 11266 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4052 -13.4052 -13.4052 -13.4052 -12.8417 -12.8417 -12.8417 -12.8417 -3.5028 -3.5028 -3.5028 -3.5028 -2.8120 -2.8120 -2.8120 -2.8120 -1.5050 -1.5050 -1.5047 -1.5047 -0.7424 -0.7424 -0.7416 -0.7416 -0.1207 -0.1207 -0.1167 -0.1167 -0.0513 -0.0513 -0.0479 -0.0479 8.2774 8.2774 8.2776 8.2776 8.3388 8.3388 8.3393 8.3393 k = 0.2500 0.1895 0.8278 ( 11264 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4052 -13.4052 -13.4052 -13.4052 -12.8417 -12.8417 -12.8417 -12.8417 -3.5023 -3.5023 -3.5023 -3.5023 -2.8129 -2.8129 -2.8129 -2.8129 -1.5044 -1.5044 -1.5044 -1.5044 -0.7413 -0.7413 -0.7413 -0.7413 -0.1187 -0.1187 -0.1187 -0.1187 -0.0502 -0.0502 -0.0502 -0.0502 8.3020 8.3020 8.3020 8.3020 8.3143 8.3143 8.3143 8.3143 k = 0.2500 0.1895 0.8278 ( 11264 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4052 -13.4052 -13.4052 -13.4052 -12.8417 -12.8417 -12.8417 -12.8417 -3.5023 -3.5023 -3.5023 -3.5023 -2.8129 -2.8129 -2.8129 -2.8129 -1.5044 -1.5044 -1.5044 -1.5044 -0.7413 -0.7413 -0.7413 -0.7413 -0.1187 -0.1187 -0.1187 -0.1187 -0.0502 -0.0502 -0.0502 -0.0502 8.3020 8.3020 8.3020 8.3020 8.3143 8.3143 8.3143 8.3143 k = 0.2417 0.2005 0.8142 ( 11264 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4054 -13.4054 -13.4054 -13.4054 -12.8416 -12.8416 -12.8415 -12.8415 -3.5022 -3.5022 -3.5019 -3.5019 -2.8122 -2.8122 -2.8121 -2.8121 -1.5056 -1.5056 -1.5041 -1.5041 -0.7421 -0.7421 -0.7413 -0.7413 -0.1300 -0.1300 -0.1138 -0.1138 -0.0555 -0.0555 -0.0399 -0.0399 8.2789 8.2789 8.2809 8.2809 8.3371 8.3371 8.3395 8.3395 k = 0.2333 0.2115 0.8005 ( 11268 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4059 -13.4059 -13.4059 -13.4059 -12.8411 -12.8411 -12.8411 -12.8411 -3.5016 -3.5016 -3.5010 -3.5010 -2.8100 -2.8100 -2.8096 -2.8096 -1.5078 -1.5078 -1.5048 -1.5048 -0.7435 -0.7435 -0.7419 -0.7419 -0.1445 -0.1445 -0.1182 -0.1182 -0.0528 -0.0528 -0.0276 -0.0276 8.2536 8.2536 8.2554 8.2554 8.3680 8.3680 8.3706 8.3706 k = 0.2250 0.2225 0.7869 ( 11264 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4067 -13.4067 -13.4067 -13.4067 -12.8402 -12.8402 -12.8402 -12.8402 -3.5004 -3.5004 -3.4995 -3.4995 -2.8061 -2.8061 -2.8056 -2.8056 -1.5109 -1.5109 -1.5064 -1.5064 -0.7456 -0.7456 -0.7432 -0.7432 -0.1606 -0.1606 -0.1296 -0.1296 -0.0444 -0.0444 -0.0150 -0.0150 8.2299 8.2299 8.2315 8.2315 8.4009 8.4009 8.4037 8.4037 k = 0.2167 0.2335 0.7732 ( 11254 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4078 -13.4078 -13.4078 -13.4078 -12.8391 -12.8391 -12.8391 -12.8391 -3.4987 -3.4987 -3.4975 -3.4975 -2.8008 -2.8008 -2.8000 -2.8000 -1.5150 -1.5150 -1.5090 -1.5090 -0.7484 -0.7484 -0.7451 -0.7451 -0.1777 -0.1777 -0.1444 -0.1444 -0.0337 -0.0337 -0.0027 -0.0027 8.2079 8.2079 8.2093 8.2093 8.4356 8.4356 8.4387 8.4387 k = 0.2083 0.2445 0.7596 ( 11256 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4092 -13.4092 -13.4092 -13.4092 -12.8377 -12.8377 -12.8377 -12.8377 -3.4964 -3.4964 -3.4950 -3.4950 -2.7940 -2.7940 -2.7930 -2.7930 -1.5199 -1.5199 -1.5126 -1.5126 -0.7519 -0.7519 -0.7478 -0.7478 -0.1952 -0.1952 -0.1610 -0.1610 -0.0225 -0.0225 0.0090 0.0090 8.1877 8.1877 8.1889 8.1889 8.4720 8.4720 8.4753 8.4753 k = 0.2000 0.2555 0.7459 ( 11252 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4109 -13.4109 -13.4109 -13.4109 -12.8360 -12.8360 -12.8360 -12.8360 -3.4937 -3.4937 -3.4920 -3.4920 -2.7857 -2.7857 -2.7847 -2.7847 -1.5257 -1.5257 -1.5170 -1.5170 -0.7561 -0.7561 -0.7512 -0.7512 -0.2130 -0.2130 -0.1783 -0.1783 -0.0115 -0.0115 0.0200 0.0200 8.1691 8.1691 8.1701 8.1701 8.5100 8.5100 8.5136 8.5136 k = 0.1917 0.2664 0.7323 ( 11238 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4129 -13.4129 -13.4128 -13.4128 -12.8341 -12.8341 -12.8341 -12.8341 -3.4904 -3.4904 -3.4884 -3.4884 -2.7762 -2.7762 -2.7750 -2.7750 -1.5323 -1.5323 -1.5223 -1.5223 -0.7609 -0.7609 -0.7553 -0.7553 -0.2308 -0.2308 -0.1961 -0.1961 -0.0012 -0.0012 0.0300 0.0300 8.1522 8.1522 8.1530 8.1530 8.5495 8.5495 8.5533 8.5533 k = 0.1833 0.2774 0.7186 ( 11234 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4150 -13.4150 -13.4150 -13.4150 -12.8319 -12.8319 -12.8319 -12.8319 -3.4865 -3.4865 -3.4844 -3.4844 -2.7655 -2.7655 -2.7642 -2.7642 -1.5396 -1.5396 -1.5285 -1.5285 -0.7665 -0.7665 -0.7601 -0.7601 -0.2486 -0.2486 -0.2140 -0.2140 0.0085 0.0085 0.0392 0.0392 8.1367 8.1367 8.1373 8.1373 8.5903 8.5903 8.5944 8.5944 k = 0.1750 0.2884 0.7050 ( 11230 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4174 -13.4174 -13.4174 -13.4174 -12.8296 -12.8296 -12.8296 -12.8296 -3.4822 -3.4822 -3.4799 -3.4799 -2.7537 -2.7537 -2.7523 -2.7523 -1.5477 -1.5477 -1.5355 -1.5355 -0.7727 -0.7727 -0.7657 -0.7657 -0.2660 -0.2660 -0.2318 -0.2318 0.0173 0.0173 0.0474 0.0474 8.1226 8.1226 8.1230 8.1230 8.6323 8.6323 8.6366 8.6366 k = 0.1667 0.2994 0.6914 ( 11232 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4199 -13.4199 -13.4199 -13.4199 -12.8270 -12.8270 -12.8270 -12.8270 -3.4774 -3.4774 -3.4749 -3.4749 -2.7409 -2.7409 -2.7394 -2.7394 -1.5564 -1.5564 -1.5433 -1.5433 -0.7796 -0.7796 -0.7719 -0.7719 -0.2830 -0.2830 -0.2494 -0.2494 0.0253 0.0253 0.0546 0.0546 8.1097 8.1097 8.1100 8.1100 8.6752 8.6752 8.6797 8.6797 k = 0.1583 0.3104 0.6777 ( 11236 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4226 -13.4226 -13.4226 -13.4226 -12.8244 -12.8244 -12.8244 -12.8244 -3.4721 -3.4721 -3.4694 -3.4694 -2.7272 -2.7272 -2.7257 -2.7257 -1.5657 -1.5657 -1.5517 -1.5517 -0.7871 -0.7871 -0.7787 -0.7787 -0.2995 -0.2995 -0.2666 -0.2666 0.0324 0.0324 0.0610 0.0610 8.0979 8.0979 8.0981 8.0981 8.7187 8.7187 8.7236 8.7236 k = 0.1500 0.3214 0.6641 ( 11232 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4253 -13.4253 -13.4253 -13.4253 -12.8216 -12.8216 -12.8216 -12.8216 -3.4664 -3.4664 -3.4636 -3.4636 -2.7128 -2.7128 -2.7113 -2.7113 -1.5755 -1.5755 -1.5608 -1.5608 -0.7952 -0.7952 -0.7862 -0.7862 -0.3154 -0.3154 -0.2833 -0.2833 0.0388 0.0388 0.0664 0.0664 8.0871 8.0871 8.0871 8.0871 8.7626 8.7626 8.7677 8.7677 k = 0.1417 0.3324 0.6504 ( 11224 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4282 -13.4282 -13.4282 -13.4282 -12.8188 -12.8188 -12.8188 -12.8188 -3.4603 -3.4603 -3.4574 -3.4574 -2.6979 -2.6979 -2.6964 -2.6964 -1.5857 -1.5857 -1.5704 -1.5704 -0.8038 -0.8038 -0.7943 -0.7943 -0.3305 -0.3305 -0.2994 -0.2994 0.0443 0.0443 0.0709 0.0709 8.0771 8.0771 8.0772 8.0772 8.8064 8.8064 8.8119 8.8119 k = 0.1333 0.3434 0.6368 ( 11230 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4310 -13.4310 -13.4310 -13.4310 -12.8159 -12.8159 -12.8159 -12.8159 -3.4538 -3.4538 -3.4509 -3.4509 -2.6826 -2.6826 -2.6811 -2.6811 -1.5962 -1.5962 -1.5804 -1.5804 -0.8128 -0.8128 -0.8029 -0.8029 -0.3448 -0.3448 -0.3149 -0.3149 0.0490 0.0490 0.0746 0.0746 8.0678 8.0678 8.0680 8.0680 8.8497 8.8497 8.8554 8.8554 k = 0.1250 0.3544 0.6231 ( 11230 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4339 -13.4339 -13.4339 -13.4339 -12.8131 -12.8131 -12.8131 -12.8131 -3.4471 -3.4471 -3.4441 -3.4441 -2.6671 -2.6671 -2.6656 -2.6656 -1.6069 -1.6069 -1.5908 -1.5908 -0.8221 -0.8221 -0.8119 -0.8119 -0.3582 -0.3582 -0.3296 -0.3296 0.0531 0.0531 0.0775 0.0775 8.0591 8.0591 8.0594 8.0594 8.8917 8.8917 8.8978 8.8978 k = 0.1167 0.3654 0.6095 ( 11236 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4368 -13.4368 -13.4367 -13.4367 -12.8102 -12.8102 -12.8102 -12.8102 -3.4401 -3.4401 -3.4371 -3.4371 -2.6515 -2.6515 -2.6501 -2.6501 -1.6176 -1.6176 -1.6015 -1.6015 -0.8317 -0.8317 -0.8212 -0.8212 -0.3707 -0.3707 -0.3435 -0.3435 0.0565 0.0565 0.0797 0.0797 8.0510 8.0510 8.0514 8.0514 8.9317 8.9317 8.9381 8.9381 k = 0.1083 0.3764 0.5958 ( 11246 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4395 -13.4395 -13.4395 -13.4395 -12.8075 -12.8075 -12.8075 -12.8075 -3.4330 -3.4330 -3.4301 -3.4301 -2.6360 -2.6360 -2.6347 -2.6347 -1.6284 -1.6284 -1.6123 -1.6123 -0.8414 -0.8414 -0.8307 -0.8307 -0.3822 -0.3822 -0.3566 -0.3566 0.0594 0.0594 0.0813 0.0813 8.0433 8.0433 8.0437 8.0437 8.9688 8.9688 8.9756 8.9756 k = 0.1000 0.3874 0.5822 ( 11242 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4422 -13.4422 -13.4422 -13.4422 -12.8048 -12.8048 -12.8048 -12.8048 -3.4259 -3.4259 -3.4230 -3.4230 -2.6207 -2.6207 -2.6195 -2.6195 -1.6390 -1.6390 -1.6231 -1.6231 -0.8510 -0.8510 -0.8404 -0.8404 -0.3928 -0.3928 -0.3688 -0.3688 0.0618 0.0618 0.0823 0.0823 8.0361 8.0361 8.0365 8.0365 9.0021 9.0021 9.0091 9.0091 k = 0.0917 0.3984 0.5686 ( 11246 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4448 -13.4448 -13.4448 -13.4448 -12.8022 -12.8022 -12.8022 -12.8022 -3.4188 -3.4188 -3.4160 -3.4160 -2.6059 -2.6059 -2.6048 -2.6048 -1.6492 -1.6492 -1.6338 -1.6338 -0.8605 -0.8605 -0.8500 -0.8500 -0.4025 -0.4025 -0.3802 -0.3802 0.0637 0.0637 0.0828 0.0828 8.0292 8.0292 8.0297 8.0297 9.0310 9.0310 9.0382 9.0382 k = 0.0833 0.4094 0.5549 ( 11252 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4473 -13.4473 -13.4473 -13.4473 -12.7997 -12.7997 -12.7997 -12.7997 -3.4118 -3.4118 -3.4091 -3.4091 -2.5918 -2.5918 -2.5908 -2.5908 -1.6591 -1.6591 -1.6443 -1.6443 -0.8696 -0.8696 -0.8595 -0.8595 -0.4112 -0.4112 -0.3907 -0.3907 0.0652 0.0652 0.0828 0.0828 8.0227 8.0227 8.0232 8.0232 9.0556 9.0556 9.0629 9.0629 k = 0.0750 0.4204 0.5413 ( 11256 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4496 -13.4496 -13.4496 -13.4496 -12.7975 -12.7975 -12.7975 -12.7975 -3.4050 -3.4050 -3.4025 -3.4025 -2.5784 -2.5784 -2.5775 -2.5775 -1.6684 -1.6684 -1.6544 -1.6544 -0.8784 -0.8784 -0.8687 -0.8687 -0.4189 -0.4189 -0.4003 -0.4003 0.0665 0.0665 0.0825 0.0825 8.0167 8.0167 8.0171 8.0171 9.0765 9.0765 9.0838 9.0838 k = 0.0667 0.4314 0.5276 ( 11254 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4517 -13.4517 -13.4517 -13.4517 -12.7954 -12.7954 -12.7954 -12.7954 -3.3986 -3.3986 -3.3962 -3.3962 -2.5659 -2.5659 -2.5652 -2.5652 -1.6769 -1.6769 -1.6640 -1.6640 -0.8865 -0.8865 -0.8774 -0.8774 -0.4256 -0.4256 -0.4090 -0.4090 0.0676 0.0676 0.0820 0.0820 8.0110 8.0110 8.0115 8.0115 9.0948 9.0948 9.1021 9.1021 k = 0.0583 0.4424 0.5140 ( 11258 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4536 -13.4536 -13.4536 -13.4536 -12.7935 -12.7935 -12.7935 -12.7935 -3.3925 -3.3925 -3.3904 -3.3904 -2.5545 -2.5545 -2.5539 -2.5539 -1.6847 -1.6847 -1.6729 -1.6729 -0.8939 -0.8939 -0.8856 -0.8856 -0.4315 -0.4315 -0.4168 -0.4168 0.0684 0.0684 0.0812 0.0812 8.0058 8.0058 8.0063 8.0063 9.1113 9.1113 9.1185 9.1185 k = 0.0500 0.4534 0.5003 ( 11256 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4553 -13.4553 -13.4553 -13.4553 -12.7918 -12.7918 -12.7918 -12.7918 -3.3871 -3.3871 -3.3852 -3.3852 -2.5444 -2.5444 -2.5439 -2.5439 -1.6916 -1.6916 -1.6811 -1.6811 -0.9005 -0.9005 -0.8931 -0.8931 -0.4364 -0.4364 -0.4237 -0.4237 0.0692 0.0692 0.0802 0.0802 8.0012 8.0012 8.0016 8.0016 9.1266 9.1266 9.1338 9.1338 k = 0.0417 0.4644 0.4867 ( 11260 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4567 -13.4567 -13.4567 -13.4567 -12.7903 -12.7903 -12.7903 -12.7903 -3.3822 -3.3822 -3.3806 -3.3806 -2.5356 -2.5356 -2.5352 -2.5352 -1.6974 -1.6974 -1.6884 -1.6884 -0.9062 -0.9062 -0.8998 -0.8998 -0.4403 -0.4403 -0.4297 -0.4297 0.0699 0.0699 0.0791 0.0791 7.9972 7.9972 7.9975 7.9975 9.1411 9.1411 9.1481 9.1481 k = 0.0333 0.4753 0.4730 ( 11268 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4579 -13.4579 -13.4579 -13.4579 -12.7891 -12.7891 -12.7891 -12.7891 -3.3781 -3.3781 -3.3768 -3.3768 -2.5282 -2.5282 -2.5279 -2.5279 -1.7020 -1.7020 -1.6947 -1.6947 -0.9108 -0.9108 -0.9055 -0.9055 -0.4434 -0.4434 -0.4348 -0.4348 0.0706 0.0706 0.0780 0.0780 7.9938 7.9938 7.9940 7.9940 9.1547 9.1547 9.1614 9.1614 k = 0.0250 0.4863 0.4594 ( 11280 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4589 -13.4589 -13.4589 -13.4589 -12.7882 -12.7882 -12.7882 -12.7882 -3.3748 -3.3748 -3.3738 -3.3738 -2.5224 -2.5224 -2.5222 -2.5222 -1.7055 -1.7055 -1.6999 -1.6999 -0.9143 -0.9143 -0.9103 -0.9103 -0.4455 -0.4455 -0.4391 -0.4391 0.0713 0.0713 0.0769 0.0769 7.9911 7.9911 7.9913 7.9913 9.1672 9.1672 9.1734 9.1734 k = 0.0167 0.4973 0.4458 ( 11276 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4596 -13.4596 -13.4596 -13.4596 -12.7875 -12.7875 -12.7875 -12.7875 -3.3723 -3.3723 -3.3716 -3.3716 -2.5182 -2.5182 -2.5181 -2.5181 -1.7078 -1.7078 -1.7040 -1.7040 -0.9166 -0.9166 -0.9139 -0.9139 -0.4467 -0.4467 -0.4424 -0.4424 0.0721 0.0721 0.0758 0.0758 7.9891 7.9891 7.9893 7.9893 9.1781 9.1781 9.1833 9.1833 k = 0.0083 0.5083 0.4321 ( 11274 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4600 -13.4600 -13.4600 -13.4600 -12.7871 -12.7871 -12.7871 -12.7871 -3.3707 -3.3707 -3.3704 -3.3704 -2.5156 -2.5156 -2.5156 -2.5156 -1.7087 -1.7087 -1.7068 -1.7068 -0.9178 -0.9178 -0.9164 -0.9164 -0.4470 -0.4470 -0.4448 -0.4448 0.0729 0.0729 0.0748 0.0748 7.9879 7.9879 7.9880 7.9880 9.1865 9.1865 9.1896 9.1896 k = 0.0000 0.5193 0.4185 ( 11278 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4601 -13.4601 -13.4601 -13.4601 -12.7870 -12.7870 -12.7870 -12.7870 -3.3701 -3.3701 -3.3701 -3.3701 -2.5148 -2.5148 -2.5148 -2.5148 -1.7084 -1.7084 -1.7084 -1.7084 -0.9177 -0.9177 -0.9177 -0.9177 -0.4463 -0.4463 -0.4463 -0.4463 0.0738 0.0738 0.0738 0.0738 7.9876 7.9876 7.9876 7.9876 9.1908 9.1908 9.1908 9.1908 k = 0.0000 0.5193 0.4185 ( 11278 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4601 -13.4601 -13.4601 -13.4601 -12.7870 -12.7870 -12.7870 -12.7870 -3.3701 -3.3701 -3.3701 -3.3701 -2.5148 -2.5148 -2.5148 -2.5148 -1.7084 -1.7084 -1.7084 -1.7084 -0.9177 -0.9177 -0.9177 -0.9177 -0.4463 -0.4463 -0.4463 -0.4463 0.0738 0.0738 0.0738 0.0738 7.9876 7.9876 7.9876 7.9876 9.1908 9.1908 9.1908 9.1908 k = 0.0169 0.5244 0.4122 ( 11273 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4654 -13.4654 -13.4546 -13.4546 -12.7918 -12.7918 -12.7824 -12.7824 -3.3756 -3.3756 -3.3636 -3.3636 -2.5224 -2.5224 -2.5069 -2.5069 -1.7437 -1.7437 -1.6740 -1.6740 -0.9269 -0.9269 -0.9075 -0.9075 -0.4506 -0.4506 -0.4427 -0.4427 0.0667 0.0667 0.0804 0.0804 7.9441 7.9441 8.0317 8.0317 9.1634 9.1634 9.1700 9.1700 k = 0.0338 0.5294 0.4060 ( 11271 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4706 -13.4706 -13.4488 -13.4488 -12.7968 -12.7968 -12.7782 -12.7782 -3.3802 -3.3802 -3.3563 -3.3563 -2.5297 -2.5297 -2.4988 -2.4988 -1.7796 -1.7796 -1.6405 -1.6405 -0.9350 -0.9350 -0.8965 -0.8965 -0.4555 -0.4555 -0.4395 -0.4395 0.0591 0.0591 0.0864 0.0864 7.9016 7.9016 8.0763 8.0763 9.1167 9.1167 9.1241 9.1241 k = 0.0507 0.5344 0.3997 ( 11272 PWs) bands (ev): -98.1742 -98.1742 -98.1741 -98.1741 -13.4756 -13.4756 -13.4427 -13.4427 -12.8021 -12.8021 -12.7742 -12.7742 -3.3837 -3.3837 -3.3483 -3.3483 -2.5366 -2.5366 -2.4904 -2.4904 -1.8161 -1.8161 -1.6080 -1.6080 -0.9417 -0.9417 -0.8850 -0.8850 -0.4613 -0.4613 -0.4366 -0.4366 0.0512 0.0512 0.0917 0.0917 7.8601 7.8601 8.1209 8.1209 9.0638 9.0638 9.0721 9.0721 k = 0.0676 0.5395 0.3934 ( 11277 PWs) bands (ev): -98.1742 -98.1742 -98.1741 -98.1741 -13.4804 -13.4804 -13.4365 -13.4365 -12.8075 -12.8075 -12.7706 -12.7706 -3.3862 -3.3862 -3.3396 -3.3396 -2.5432 -2.5432 -2.4819 -2.4819 -1.8529 -1.8529 -1.5769 -1.5769 -0.9469 -0.9469 -0.8731 -0.8731 -0.4680 -0.4680 -0.4339 -0.4339 0.0430 0.0430 0.0962 0.0962 7.8199 7.8199 8.1652 8.1652 9.0100 9.0100 9.0157 9.0157 k = 0.0845 0.5445 0.3872 ( 11273 PWs) bands (ev): -98.1742 -98.1742 -98.1741 -98.1741 -13.4851 -13.4851 -13.4299 -13.4299 -12.8131 -12.8131 -12.7673 -12.7673 -3.3876 -3.3876 -3.3306 -3.3306 -2.5492 -2.5492 -2.4731 -2.4731 -1.8900 -1.8900 -1.5471 -1.5471 -0.9505 -0.9505 -0.8611 -0.8611 -0.4757 -0.4757 -0.4309 -0.4309 0.0346 0.0346 0.0998 0.0998 7.7812 7.7812 8.2086 8.2086 8.9519 8.9519 8.9620 8.9620 k = 0.1014 0.5496 0.3809 ( 11264 PWs) bands (ev): -98.1742 -98.1742 -98.1740 -98.1740 -13.4897 -13.4897 -13.4231 -13.4231 -12.8188 -12.8188 -12.7643 -12.7643 -3.3880 -3.3880 -3.3212 -3.3212 -2.5547 -2.5547 -2.4640 -2.4640 -1.9272 -1.9272 -1.5189 -1.5189 -0.9524 -0.9524 -0.8493 -0.8493 -0.4844 -0.4844 -0.4277 -0.4277 0.0262 0.0262 0.1024 0.1024 7.7440 7.7440 8.2506 8.2506 8.8892 8.8892 8.9143 8.9143 k = 0.1183 0.5546 0.3747 ( 11269 PWs) bands (ev): -98.1742 -98.1742 -98.1740 -98.1740 -13.4943 -13.4943 -13.4160 -13.4160 -12.8246 -12.8246 -12.7617 -12.7617 -3.3873 -3.3873 -3.3116 -3.3116 -2.5595 -2.5595 -2.4546 -2.4546 -1.9644 -1.9644 -1.4923 -1.4923 -0.9525 -0.9525 -0.8379 -0.8379 -0.4941 -0.4941 -0.4239 -0.4239 0.0176 0.0176 0.1039 0.1039 7.7084 7.7084 8.2903 8.2903 8.8250 8.8250 8.8714 8.8714 k = 0.1352 0.5597 0.3684 ( 11271 PWs) bands (ev): -98.1742 -98.1742 -98.1740 -98.1740 -13.4989 -13.4989 -13.4087 -13.4087 -12.8304 -12.8304 -12.7594 -12.7594 -3.3856 -3.3856 -3.3021 -3.3021 -2.5634 -2.5634 -2.4450 -2.4450 -2.0014 -2.0014 -1.4675 -1.4675 -0.9508 -0.9508 -0.8272 -0.8272 -0.5049 -0.5049 -0.4193 -0.4193 0.0091 0.0091 0.1043 0.1043 7.6746 7.6746 8.3268 8.3268 8.7602 8.7602 8.8343 8.8343 k = 0.1521 0.5647 0.3622 ( 11269 PWs) bands (ev): -98.1742 -98.1742 -98.1740 -98.1740 -13.5035 -13.5035 -13.4010 -13.4010 -12.8361 -12.8361 -12.7574 -12.7574 -3.3830 -3.3830 -3.2928 -3.2928 -2.5665 -2.5665 -2.4349 -2.4349 -2.0381 -2.0381 -1.4445 -1.4445 -0.9473 -0.9473 -0.8175 -0.8175 -0.5166 -0.5166 -0.4137 -0.4137 0.0007 0.0007 0.1034 0.1034 7.6426 7.6426 8.3590 8.3590 8.6957 8.6957 8.8038 8.8038 k = 0.1690 0.5697 0.3559 ( 11258 PWs) bands (ev): -98.1743 -98.1743 -98.1740 -98.1740 -13.5081 -13.5081 -13.3932 -13.3932 -12.8418 -12.8418 -12.7557 -12.7557 -3.3795 -3.3795 -3.2838 -3.2838 -2.5684 -2.5684 -2.4246 -2.4246 -2.0743 -2.0743 -1.4233 -1.4233 -0.9422 -0.9422 -0.8090 -0.8090 -0.5292 -0.5292 -0.4069 -0.4069 -0.0075 -0.0075 0.1013 0.1013 7.6125 7.6125 8.3855 8.3855 8.6318 8.6318 8.7811 8.7811 k = 0.1859 0.5748 0.3496 ( 11251 PWs) bands (ev): -98.1743 -98.1743 -98.1740 -98.1740 -13.5129 -13.5129 -13.3850 -13.3850 -12.8473 -12.8473 -12.7544 -12.7544 -3.3754 -3.3754 -3.2754 -3.2754 -2.5692 -2.5692 -2.4140 -2.4140 -2.1097 -2.1097 -1.4039 -1.4039 -0.9357 -0.9357 -0.8020 -0.8020 -0.5425 -0.5425 -0.3988 -0.3988 -0.0156 -0.0156 0.0978 0.0978 7.5844 7.5844 8.4052 8.4052 8.5690 8.5690 8.7669 8.7669 k = 0.2027 0.5798 0.3434 ( 11247 PWs) bands (ev): -98.1743 -98.1743 -98.1740 -98.1740 -13.5179 -13.5179 -13.3766 -13.3766 -12.8526 -12.8526 -12.7533 -12.7533 -3.3706 -3.3706 -3.2678 -3.2678 -2.5687 -2.5687 -2.4033 -2.4033 -2.1441 -2.1441 -1.3861 -1.3861 -0.9281 -0.9281 -0.7965 -0.7965 -0.5563 -0.5563 -0.3893 -0.3893 -0.0234 -0.0234 0.0929 0.0929 7.5583 7.5583 8.4176 8.4176 8.5077 8.5077 8.7614 8.7614 k = 0.2196 0.5849 0.3371 ( 11246 PWs) bands (ev): -98.1743 -98.1743 -98.1740 -98.1740 -13.5230 -13.5230 -13.3680 -13.3680 -12.8576 -12.8576 -12.7525 -12.7525 -3.3653 -3.3653 -3.2610 -3.2610 -2.5667 -2.5667 -2.3927 -2.3927 -2.1771 -2.1771 -1.3699 -1.3699 -0.9200 -0.9200 -0.7926 -0.7926 -0.5703 -0.5703 -0.3784 -0.3784 -0.0308 -0.0308 0.0867 0.0867 7.5342 7.5342 8.4230 8.4230 8.4482 8.4482 8.7639 8.7639 k = 0.2365 0.5899 0.3309 ( 11248 PWs) bands (ev): -98.1743 -98.1743 -98.1739 -98.1739 -13.5284 -13.5284 -13.3591 -13.3591 -12.8623 -12.8623 -12.7520 -12.7520 -3.3597 -3.3597 -3.2552 -3.2552 -2.5632 -2.5632 -2.3829 -2.3829 -2.2079 -2.2079 -1.3549 -1.3549 -0.9118 -0.9118 -0.7904 -0.7904 -0.5841 -0.5841 -0.3663 -0.3663 -0.0378 -0.0378 0.0791 0.0791 7.5121 7.5121 8.3905 8.3905 8.4230 8.4230 8.7728 8.7728 k = 0.2534 0.5949 0.3246 ( 11252 PWs) bands (ev): -98.1743 -98.1743 -98.1739 -98.1739 -13.5340 -13.5340 -13.3500 -13.3500 -12.8666 -12.8666 -12.7518 -12.7518 -3.3538 -3.3538 -3.2506 -3.2506 -2.5579 -2.5579 -2.3752 -2.3752 -2.2351 -2.2351 -1.3411 -1.3411 -0.9045 -0.9045 -0.7898 -0.7898 -0.5971 -0.5971 -0.3530 -0.3530 -0.0442 -0.0442 0.0701 0.0701 7.4921 7.4921 8.3354 8.3354 8.4188 8.4188 8.7862 8.7862 k = 0.2703 0.6000 0.3184 ( 11251 PWs) bands (ev): -98.1743 -98.1743 -98.1739 -98.1739 -13.5400 -13.5400 -13.3408 -13.3408 -12.8705 -12.8705 -12.7518 -12.7518 -3.3479 -3.3479 -3.2472 -3.2472 -2.5509 -2.5509 -2.3720 -2.3720 -2.2562 -2.2562 -1.3282 -1.3282 -0.8989 -0.8989 -0.7907 -0.7907 -0.6086 -0.6086 -0.3388 -0.3388 -0.0501 -0.0501 0.0598 0.0598 7.4742 7.4742 8.2828 8.2828 8.4119 8.4119 8.8027 8.8027 k = 0.2872 0.6050 0.3121 ( 11247 PWs) bands (ev): -98.1743 -98.1743 -98.1739 -98.1739 -13.5463 -13.5463 -13.3313 -13.3313 -12.8739 -12.8739 -12.7520 -12.7520 -3.3420 -3.3420 -3.2450 -3.2450 -2.5420 -2.5420 -2.3768 -2.3768 -2.2678 -2.2678 -1.3159 -1.3159 -0.8960 -0.8960 -0.7928 -0.7928 -0.6179 -0.6179 -0.3240 -0.3240 -0.0553 -0.0553 0.0482 0.0482 7.4584 7.4584 8.2331 8.2331 8.4032 8.4032 8.8212 8.8212 k = 0.3041 0.6101 0.3058 ( 11236 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5530 -13.5530 -13.3217 -13.3217 -12.8768 -12.8768 -12.7524 -12.7524 -3.3363 -3.3363 -3.2442 -3.2442 -2.5313 -2.5313 -2.3906 -2.3906 -2.2687 -2.2687 -1.3040 -1.3040 -0.8967 -0.8967 -0.7962 -0.7962 -0.6243 -0.6243 -0.3090 -0.3090 -0.0597 -0.0597 0.0355 0.0355 7.4446 7.4446 8.1865 8.1865 8.3933 8.3933 8.8413 8.8413 k = 0.3210 0.6151 0.2996 ( 11240 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5602 -13.5602 -13.3120 -13.3120 -12.8791 -12.8791 -12.7529 -12.7529 -3.3309 -3.3309 -3.2447 -3.2447 -2.5189 -2.5189 -2.4103 -2.4103 -2.2620 -2.2620 -1.2924 -1.2924 -0.9016 -0.9016 -0.8005 -0.8005 -0.6272 -0.6272 -0.2940 -0.2940 -0.0632 -0.0632 0.0219 0.0219 7.4328 7.4328 8.1434 8.1434 8.3821 8.3821 8.8628 8.8628 k = 0.3210 0.6151 0.2996 ( 11240 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5602 -13.5602 -13.3120 -13.3120 -12.8791 -12.8791 -12.7529 -12.7529 -3.3309 -3.3309 -3.2447 -3.2447 -2.5189 -2.5189 -2.4103 -2.4103 -2.2620 -2.2620 -1.2924 -1.2924 -0.9016 -0.9016 -0.8005 -0.8005 -0.6272 -0.6272 -0.2940 -0.2940 -0.0632 -0.0632 0.0219 0.0219 7.4328 7.4328 8.1434 8.1434 8.3821 8.3821 8.8628 8.8628 k = 0.3292 0.6044 0.2860 ( 11238 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5759 -13.5759 -13.2908 -13.2908 -12.8834 -12.8834 -12.7544 -12.7544 -3.3197 -3.3197 -3.2480 -3.2480 -2.4928 -2.4928 -2.4520 -2.4520 -2.2406 -2.2406 -1.2685 -1.2685 -0.9169 -0.9169 -0.8115 -0.8115 -0.6287 -0.6287 -0.2620 -0.2620 -0.0702 -0.0702 -0.0101 -0.0101 7.4112 7.4112 8.0550 8.0550 8.3545 8.3545 8.9107 8.9107 k = 0.3373 0.5936 0.2724 ( 11232 PWs) bands (ev): -98.1744 -98.1744 -98.1738 -98.1738 -13.5911 -13.5911 -13.2700 -13.2700 -12.8877 -12.8877 -12.7558 -12.7558 -3.3087 -3.3087 -3.2527 -3.2527 -2.5092 -2.5092 -2.4463 -2.4463 -2.2171 -2.2171 -1.2472 -1.2472 -0.9320 -0.9320 -0.8237 -0.8237 -0.6282 -0.6282 -0.2309 -0.2309 -0.0788 -0.0788 -0.0438 -0.0438 7.3935 7.3935 7.9699 7.9699 8.3237 8.3237 8.9565 8.9565 k = 0.3454 0.5829 0.2587 ( 11224 PWs) bands (ev): -98.1744 -98.1744 -98.1738 -98.1738 -13.6058 -13.6058 -13.2498 -13.2498 -12.8918 -12.8918 -12.7572 -12.7572 -3.2979 -3.2979 -3.2591 -3.2591 -2.5480 -2.5480 -2.4128 -2.4128 -2.1920 -2.1920 -1.2284 -1.2284 -0.9469 -0.9469 -0.8369 -0.8369 -0.6261 -0.6261 -0.2013 -0.2013 -0.0944 -0.0944 -0.0731 -0.0731 7.3797 7.3797 7.8884 7.8884 8.2906 8.2906 8.9981 8.9981 k = 0.3536 0.5722 0.2451 ( 11230 PWs) bands (ev): -98.1745 -98.1745 -98.1738 -98.1738 -13.6200 -13.6200 -13.2301 -13.2301 -12.8958 -12.8958 -12.7586 -12.7586 -3.2876 -3.2876 -3.2670 -3.2670 -2.5853 -2.5853 -2.3754 -2.3754 -2.1653 -2.1653 -1.2119 -1.2119 -0.9613 -0.9613 -0.8511 -0.8511 -0.6223 -0.6223 -0.1767 -0.1767 -0.1242 -0.1242 -0.0873 -0.0873 7.3699 7.3699 7.8107 7.8107 8.2559 8.2559 9.0331 9.0331 k = 0.3617 0.5614 0.2315 ( 11236 PWs) bands (ev): -98.1745 -98.1745 -98.1738 -98.1738 -13.6335 -13.6335 -13.2110 -13.2110 -12.8998 -12.8998 -12.7600 -12.7600 -3.2793 -3.2793 -3.2749 -3.2749 -2.6195 -2.6195 -2.3357 -2.3357 -2.1373 -2.1373 -1.1975 -1.1975 -0.9754 -0.9754 -0.8662 -0.8662 -0.6173 -0.6173 -0.1847 -0.1847 -0.1307 -0.1307 -0.0960 -0.0960 7.3642 7.3642 7.7371 7.7371 8.2204 8.2204 9.0585 9.0585 k = 0.3698 0.5507 0.2179 ( 11248 PWs) bands (ev): -98.1745 -98.1745 -98.1737 -98.1737 -13.6464 -13.6464 -13.1926 -13.1926 -12.9035 -12.9035 -12.7614 -12.7614 -3.2884 -3.2884 -3.2673 -3.2673 -2.6503 -2.6503 -2.2940 -2.2940 -2.1081 -2.1081 -1.1850 -1.1850 -0.9891 -0.9891 -0.8822 -0.8822 -0.6111 -0.6111 -0.2254 -0.2254 -0.1170 -0.1170 -0.0960 -0.0960 7.3626 7.3626 7.6677 7.6677 8.1848 8.1848 9.0720 9.0720 k = 0.3780 0.5400 0.2043 ( 11248 PWs) bands (ev): -98.1745 -98.1745 -98.1737 -98.1737 -13.6587 -13.6587 -13.1750 -13.1750 -12.9072 -12.9072 -12.7627 -12.7627 -3.3010 -3.3010 -3.2582 -3.2582 -2.6776 -2.6776 -2.2505 -2.2505 -2.0779 -2.0779 -1.1743 -1.1743 -1.0022 -1.0022 -0.8989 -0.8989 -0.6042 -0.6042 -0.2722 -0.2722 -0.1213 -0.1213 -0.0755 -0.0755 7.3651 7.3651 7.6025 7.6025 8.1496 8.1496 9.0728 9.0728 k = 0.3861 0.5292 0.1906 ( 11244 PWs) bands (ev): -98.1745 -98.1745 -98.1737 -98.1737 -13.6703 -13.6703 -13.1581 -13.1581 -12.9106 -12.9106 -12.7640 -12.7640 -3.3148 -3.3148 -3.2495 -3.2495 -2.7017 -2.7017 -2.2055 -2.2055 -2.0468 -2.0468 -1.1650 -1.1650 -1.0149 -1.0149 -0.9163 -0.9163 -0.5967 -0.5967 -0.3217 -0.3217 -0.1304 -0.1304 -0.0507 -0.0507 7.3717 7.3717 7.5417 7.5417 8.1154 8.1154 9.0616 9.0616 k = 0.3942 0.5185 0.1770 ( 11252 PWs) bands (ev): -98.1746 -98.1746 -98.1737 -98.1737 -13.6812 -13.6812 -13.1422 -13.1422 -12.9139 -12.9139 -12.7652 -12.7652 -3.3296 -3.3296 -3.2414 -3.2414 -2.7226 -2.7226 -2.1590 -2.1590 -2.0150 -2.0150 -1.1570 -1.1570 -1.0271 -1.0271 -0.9343 -0.9343 -0.5890 -0.5890 -0.3729 -0.3729 -0.1404 -0.1404 -0.0263 -0.0263 7.3823 7.3823 7.4852 7.4852 8.0825 8.0825 8.9970 8.9970 k = 0.4024 0.5078 0.1634 ( 11252 PWs) bands (ev): -98.1746 -98.1746 -98.1737 -98.1737 -13.6914 -13.6914 -13.1272 -13.1272 -12.9170 -12.9170 -12.7664 -12.7664 -3.3451 -3.3451 -3.2337 -3.2337 -2.7407 -2.7407 -2.1113 -2.1113 -1.9828 -1.9828 -1.1502 -1.1502 -1.0388 -1.0388 -0.9527 -0.9527 -0.5815 -0.5815 -0.4253 -0.4253 -0.1506 -0.1506 -0.0029 -0.0029 7.3969 7.3969 7.4333 7.4333 8.0512 8.0512 8.9068 8.9068 k = 0.4105 0.4970 0.1498 ( 11256 PWs) bands (ev): -98.1746 -98.1746 -98.1737 -98.1737 -13.7008 -13.7008 -13.1131 -13.1131 -12.9199 -12.9199 -12.7675 -12.7675 -3.3608 -3.3608 -3.2266 -3.2266 -2.7560 -2.7560 -2.0626 -2.0626 -1.9503 -1.9503 -1.1443 -1.1443 -1.0500 -1.0500 -0.9714 -0.9714 -0.5751 -0.5751 -0.4777 -0.4777 -0.1608 -0.1608 0.0191 0.0191 7.3852 7.3852 7.4159 7.4159 8.0218 8.0218 8.8175 8.8175 k = 0.4186 0.4863 0.1362 ( 11250 PWs) bands (ev): -98.1746 -98.1746 -98.1736 -98.1736 -13.7095 -13.7095 -13.1001 -13.1001 -12.9226 -12.9226 -12.7685 -12.7685 -3.3764 -3.3764 -3.2201 -3.2201 -2.7690 -2.7690 -2.0133 -2.0133 -1.9180 -1.9180 -1.1391 -1.1391 -1.0609 -1.0609 -0.9900 -0.9900 -0.5738 -0.5738 -0.5258 -0.5258 -0.1708 -0.1708 0.0397 0.0397 7.3420 7.3420 7.4382 7.4382 7.9945 7.9945 8.7294 8.7294 k = 0.4268 0.4756 0.1226 ( 11256 PWs) bands (ev): -98.1746 -98.1746 -98.1736 -98.1736 -13.7174 -13.7174 -13.0881 -13.0881 -12.9250 -12.9250 -12.7694 -12.7694 -3.3917 -3.3917 -3.2142 -3.2142 -2.7799 -2.7799 -1.9636 -1.9636 -1.8860 -1.8860 -1.1347 -1.1347 -1.0717 -1.0717 -1.0082 -1.0082 -0.6005 -0.6005 -0.5464 -0.5464 -0.1804 -0.1804 0.0586 0.0586 7.3030 7.3030 7.4643 7.4643 7.9694 7.9694 8.6432 8.6432 k = 0.4349 0.4648 0.1089 ( 11256 PWs) bands (ev): -98.1746 -98.1746 -98.1736 -98.1736 -13.7245 -13.7245 -13.0773 -13.0773 -12.9273 -12.9273 -12.7703 -12.7703 -3.4062 -3.4062 -3.2090 -3.2090 -2.7889 -2.7889 -1.9142 -1.9142 -1.8548 -1.8548 -1.1308 -1.1308 -1.0826 -1.0826 -1.0254 -1.0254 -0.6500 -0.6500 -0.5445 -0.5445 -0.1896 -0.1896 0.0758 0.0758 7.2683 7.2683 7.4940 7.4940 7.9466 7.9466 8.5591 8.5591 k = 0.4431 0.4541 0.0953 ( 11256 PWs) bands (ev): -98.1746 -98.1746 -98.1736 -98.1736 -13.7308 -13.7308 -13.0677 -13.0677 -12.9292 -12.9292 -12.7711 -12.7711 -3.4197 -3.4197 -3.2043 -3.2043 -2.7964 -2.7964 -1.8654 -1.8654 -1.8248 -1.8248 -1.1274 -1.1274 -1.0940 -1.0940 -1.0410 -1.0410 -0.7018 -0.7018 -0.5396 -0.5396 -0.1980 -0.1980 0.0912 0.0912 7.2378 7.2378 7.5269 7.5269 7.9263 7.9263 8.4777 8.4777 k = 0.4512 0.4434 0.0817 ( 11248 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7363 -13.7363 -13.0593 -13.0593 -12.9310 -12.9310 -12.7718 -12.7718 -3.4318 -3.4318 -3.2002 -3.2002 -2.8024 -2.8024 -1.8182 -1.8182 -1.7966 -1.7966 -1.1246 -1.1246 -1.1061 -1.1061 -1.0544 -1.0544 -0.7524 -0.7524 -0.5347 -0.5347 -0.2056 -0.2056 0.1047 0.1047 7.2115 7.2115 7.5627 7.5627 7.9086 7.9086 8.3996 8.3996 k = 0.4593 0.4326 0.0681 ( 11232 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7410 -13.7410 -13.0521 -13.0521 -12.9324 -12.9324 -12.7723 -12.7723 -3.4425 -3.4425 -3.1968 -3.1968 -2.8073 -2.8073 -1.7736 -1.7736 -1.7708 -1.7708 -1.1229 -1.1229 -1.1179 -1.1179 -1.0651 -1.0651 -0.8003 -0.8003 -0.5303 -0.5303 -0.2123 -0.2123 0.1162 0.1162 7.1894 7.1894 7.6007 7.6007 7.8935 7.8935 8.3255 8.3255 k = 0.4675 0.4219 0.0545 ( 11236 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7448 -13.7448 -13.0461 -13.0461 -12.9337 -12.9337 -12.7728 -12.7728 -3.4515 -3.4515 -3.1940 -3.1940 -2.8111 -2.8111 -1.7480 -1.7480 -1.7328 -1.7328 -1.1321 -1.1321 -1.1191 -1.1191 -1.0734 -1.0734 -0.8439 -0.8439 -0.5265 -0.5265 -0.2180 -0.2180 0.1258 0.1258 7.1713 7.1713 7.6400 7.6400 7.8811 7.8811 8.2566 8.2566 k = 0.4756 0.4112 0.0409 ( 11250 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7478 -13.7478 -13.0415 -13.0415 -12.9346 -12.9346 -12.7732 -12.7732 -3.4586 -3.4586 -3.1918 -3.1918 -2.8139 -2.8139 -1.7291 -1.7291 -1.6977 -1.6977 -1.1433 -1.1433 -1.1173 -1.1173 -1.0796 -1.0796 -0.8813 -0.8813 -0.5236 -0.5236 -0.2224 -0.2224 0.1332 0.1332 7.1573 7.1573 7.6788 7.6788 7.8714 7.8714 8.1947 8.1947 k = 0.4837 0.4004 0.0272 ( 11238 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7499 -13.7499 -13.0382 -13.0382 -12.9353 -12.9353 -12.7735 -12.7735 -3.4638 -3.4638 -3.1902 -3.1902 -2.8158 -2.8158 -1.7149 -1.7149 -1.6702 -1.6702 -1.1523 -1.1523 -1.1157 -1.1157 -1.0840 -1.0840 -0.9104 -0.9104 -0.5214 -0.5214 -0.2257 -0.2257 0.1386 0.1386 7.1473 7.1473 7.7139 7.7139 7.8644 7.8644 8.1430 8.1430 k = 0.4919 0.3897 0.0136 ( 11234 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7512 -13.7512 -13.0362 -13.0362 -12.9357 -12.9357 -12.7736 -12.7736 -3.4669 -3.4669 -3.1893 -3.1893 -2.8170 -2.8170 -1.7060 -1.7060 -1.6526 -1.6526 -1.1582 -1.1582 -1.1146 -1.1146 -1.0867 -1.0867 -0.9291 -0.9291 -0.5201 -0.5201 -0.2276 -0.2276 0.1418 0.1418 7.1414 7.1414 7.7400 7.7400 7.8602 7.8602 8.1069 8.1069 k = 0.5000 0.3790-0.0000 ( 11218 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7516 -13.7516 -13.0355 -13.0355 -12.9358 -12.9358 -12.7737 -12.7737 -3.4680 -3.4680 -3.1890 -3.1890 -2.8173 -2.8173 -1.7029 -1.7029 -1.6464 -1.6464 -1.1602 -1.1602 -1.1142 -1.1142 -1.0876 -1.0876 -0.9355 -0.9355 -0.5197 -0.5197 -0.2283 -0.2283 0.1429 0.1429 7.1394 7.1394 7.7500 7.7500 7.8588 7.8588 8.0936 8.0936 k = 0.5000 0.3790-0.0000 ( 11218 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7516 -13.7516 -13.0355 -13.0355 -12.9358 -12.9358 -12.7737 -12.7737 -3.4680 -3.4680 -3.1890 -3.1890 -2.8173 -2.8173 -1.7029 -1.7029 -1.6464 -1.6464 -1.1602 -1.1602 -1.1142 -1.1142 -1.0876 -1.0876 -0.9355 -0.9355 -0.5197 -0.5197 -0.2283 -0.2283 0.1429 0.1429 7.1394 7.1394 7.7500 7.7500 7.8588 7.8588 8.0936 8.0936 k = 0.4848 0.3675-0.0000 ( 11220 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7521 -13.7521 -13.0355 -13.0355 -12.9353 -12.9353 -12.7737 -12.7737 -3.4675 -3.4675 -3.1896 -3.1896 -2.8179 -2.8179 -1.7037 -1.7037 -1.6469 -1.6469 -1.1638 -1.1638 -1.1303 -1.1303 -1.0692 -1.0692 -0.9336 -0.9336 -0.5191 -0.5191 -0.2276 -0.2276 0.1427 0.1427 7.1416 7.1416 7.7527 7.7527 7.8564 7.8564 8.0953 8.0953 k = 0.4697 0.3560-0.0000 ( 11228 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7534 -13.7534 -13.0354 -13.0354 -12.9336 -12.9336 -12.7736 -12.7736 -3.4661 -3.4661 -3.1913 -3.1913 -2.8196 -2.8196 -1.7061 -1.7061 -1.6483 -1.6483 -1.1789 -1.1789 -1.1454 -1.1454 -1.0436 -1.0436 -0.9270 -0.9270 -0.5172 -0.5172 -0.2256 -0.2256 0.1421 0.1421 7.1484 7.1484 7.7607 7.7607 7.8490 7.8490 8.1004 8.1004 k = 0.4545 0.3445-0.0000 ( 11236 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7556 -13.7556 -13.0353 -13.0353 -12.9309 -12.9309 -12.7735 -12.7735 -3.4638 -3.4638 -3.1942 -3.1942 -2.8225 -2.8225 -1.7101 -1.7101 -1.6505 -1.6505 -1.2036 -1.2036 -1.1522 -1.1522 -1.0226 -1.0226 -0.9133 -0.9133 -0.5141 -0.5141 -0.2222 -0.2222 0.1412 0.1412 7.1596 7.1596 7.7739 7.7739 7.8369 7.8369 8.1088 8.1088 k = 0.4394 0.3330-0.0000 ( 11248 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7587 -13.7587 -13.0351 -13.0351 -12.9271 -12.9271 -12.7734 -12.7734 -3.4606 -3.4606 -3.1981 -3.1981 -2.8264 -2.8264 -1.7155 -1.7155 -1.6536 -1.6536 -1.2302 -1.2302 -1.1571 -1.1571 -1.0094 -1.0094 -0.8904 -0.8904 -0.5098 -0.5098 -0.2176 -0.2176 0.1399 0.1399 7.1752 7.1752 7.7924 7.7924 7.8201 7.8201 8.1204 8.1204 k = 0.4242 0.3216-0.0000 ( 11248 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7625 -13.7625 -13.0348 -13.0348 -12.9223 -12.9223 -12.7732 -12.7732 -3.4565 -3.4565 -3.2031 -3.2031 -2.8314 -2.8314 -1.7225 -1.7225 -1.6576 -1.6576 -1.2564 -1.2564 -1.1621 -1.1621 -1.0034 -1.0034 -0.8594 -0.8594 -0.5043 -0.5043 -0.2117 -0.2117 0.1383 0.1383 7.1951 7.1951 7.7989 7.7989 7.8162 7.8162 8.1353 8.1353 k = 0.4091 0.3101-0.0000 ( 11244 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7671 -13.7671 -13.0346 -13.0346 -12.9167 -12.9167 -12.7730 -12.7730 -3.4515 -3.4515 -3.2092 -3.2092 -2.8374 -2.8374 -1.7309 -1.7309 -1.6622 -1.6622 -1.2815 -1.2815 -1.1678 -1.1678 -1.0023 -1.0023 -0.8229 -0.8229 -0.4978 -0.4978 -0.2046 -0.2046 0.1363 0.1363 7.2193 7.2193 7.7737 7.7737 7.8449 7.8449 8.1532 8.1532 k = 0.3939 0.2986-0.0000 ( 11240 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7723 -13.7723 -13.0342 -13.0342 -12.9102 -12.9102 -12.7728 -12.7728 -3.4456 -3.4456 -3.2161 -3.2161 -2.8443 -2.8443 -1.7408 -1.7408 -1.6676 -1.6676 -1.3050 -1.3050 -1.1742 -1.1742 -1.0042 -1.0042 -0.7831 -0.7831 -0.4901 -0.4901 -0.1963 -0.1963 0.1340 0.1340 7.2476 7.2476 7.7448 7.7448 7.8785 7.8785 8.1740 8.1740 k = 0.3788 0.2871-0.0000 ( 11234 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7781 -13.7781 -13.0339 -13.0339 -12.9029 -12.9029 -12.7725 -12.7725 -3.4390 -3.4390 -3.2240 -3.2240 -2.8520 -2.8520 -1.7519 -1.7519 -1.6735 -1.6735 -1.3270 -1.3270 -1.1814 -1.1814 -1.0080 -1.0080 -0.7413 -0.7413 -0.4814 -0.4814 -0.1870 -0.1870 0.1314 0.1314 7.2800 7.2800 7.7125 7.7125 7.9171 7.9171 8.1975 8.1975 k = 0.3636 0.2756-0.0000 ( 11234 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7844 -13.7844 -13.0334 -13.0334 -12.8950 -12.8950 -12.7722 -12.7722 -3.4315 -3.4315 -3.2326 -3.2326 -2.8605 -2.8605 -1.7643 -1.7643 -1.6800 -1.6800 -1.3474 -1.3474 -1.1892 -1.1892 -1.0131 -1.0131 -0.6982 -0.6982 -0.4716 -0.4716 -0.1768 -0.1768 0.1286 0.1286 7.3163 7.3163 7.6773 7.6773 7.9602 7.9602 8.2236 8.2236 k = 0.3485 0.2641-0.0000 ( 11234 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7911 -13.7911 -13.0330 -13.0330 -12.8865 -12.8865 -12.7719 -12.7719 -3.4233 -3.4233 -3.2419 -3.2419 -2.8696 -2.8696 -1.7779 -1.7779 -1.6870 -1.6870 -1.3662 -1.3662 -1.1977 -1.1977 -1.0193 -1.0193 -0.6546 -0.6546 -0.4607 -0.4607 -0.1657 -0.1657 0.1255 0.1255 7.3563 7.3563 7.6396 7.6396 8.0079 8.0079 8.2519 8.2519 k = 0.3333 0.2527-0.0000 ( 11234 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7982 -13.7982 -13.0325 -13.0325 -12.8776 -12.8776 -12.7716 -12.7716 -3.4144 -3.4144 -3.2518 -3.2518 -2.8793 -2.8793 -1.7925 -1.7925 -1.6943 -1.6943 -1.3834 -1.3834 -1.2068 -1.2068 -1.0263 -1.0263 -0.6109 -0.6109 -0.4485 -0.4485 -0.1538 -0.1538 0.1222 0.1222 7.3998 7.3998 7.5998 7.5998 8.0598 8.0598 8.1965 8.1965 k = 0.3182 0.2412-0.0000 ( 11238 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8055 -13.8055 -13.0320 -13.0320 -12.8682 -12.8682 -12.7712 -12.7712 -3.4048 -3.4048 -3.2623 -3.2623 -2.8894 -2.8894 -1.8081 -1.8081 -1.7019 -1.7019 -1.3991 -1.3991 -1.2163 -1.2163 -1.0340 -1.0340 -0.5682 -0.5682 -0.4346 -0.4346 -0.1413 -0.1413 0.1188 0.1188 7.4467 7.4467 7.5584 7.5584 8.1097 8.1097 8.1178 8.1178 k = 0.3030 0.2297-0.0000 ( 11246 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8130 -13.8130 -13.0315 -13.0315 -12.8587 -12.8587 -12.7708 -12.7708 -3.3946 -3.3946 -3.2731 -3.2731 -2.8999 -2.8999 -1.8245 -1.8245 -1.7097 -1.7097 -1.4133 -1.4133 -1.2263 -1.2263 -1.0421 -1.0421 -0.5275 -0.5275 -0.4182 -0.4182 -0.1283 -0.1283 0.1152 0.1152 7.4964 7.4964 7.5162 7.5162 8.0257 8.0257 8.1757 8.1757 k = 0.2879 0.2182-0.0000 ( 11258 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8206 -13.8206 -13.0309 -13.0309 -12.8489 -12.8489 -12.7704 -12.7704 -3.3838 -3.3838 -3.2842 -3.2842 -2.9107 -2.9107 -1.8416 -1.8416 -1.7176 -1.7176 -1.4260 -1.4260 -1.2365 -1.2365 -1.0506 -1.0506 -0.4908 -0.4908 -0.3976 -0.3976 -0.1150 -0.1150 0.1116 0.1116 7.4723 7.4723 7.5498 7.5498 7.9396 7.9396 8.2389 8.2389 k = 0.2727 0.2067-0.0000 ( 11255 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8282 -13.8282 -13.0303 -13.0303 -12.8391 -12.8391 -12.7700 -12.7700 -3.3726 -3.3726 -3.2955 -3.2955 -2.9215 -2.9215 -1.8594 -1.8594 -1.7256 -1.7256 -1.4374 -1.4374 -1.2469 -1.2469 -1.0594 -1.0594 -0.4604 -0.4604 -0.3711 -0.3711 -0.1013 -0.1013 0.1079 0.1079 7.4287 7.4287 7.6053 7.6053 7.8540 7.8540 8.3052 8.3052 k = 0.2576 0.1952-0.0000 ( 11243 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8358 -13.8358 -13.0298 -13.0298 -12.8293 -12.8293 -12.7696 -12.7696 -3.3609 -3.3609 -3.3069 -3.3069 -2.9325 -2.9325 -1.8776 -1.8776 -1.7335 -1.7335 -1.4476 -1.4476 -1.2574 -1.2574 -1.0685 -1.0685 -0.4367 -0.4367 -0.3384 -0.3384 -0.0876 -0.0876 0.1043 0.1043 7.3851 7.3851 7.6632 7.6632 7.7697 7.7697 8.3743 8.3743 k = 0.2424 0.1837-0.0000 ( 11237 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8432 -13.8432 -13.0292 -13.0292 -12.8195 -12.8195 -12.7692 -12.7692 -3.3490 -3.3490 -3.3183 -3.3183 -2.9433 -2.9433 -1.8962 -1.8962 -1.7414 -1.7414 -1.4565 -1.4565 -1.2679 -1.2679 -1.0776 -1.0776 -0.4183 -0.4183 -0.3016 -0.3016 -0.0738 -0.0738 0.1007 0.1007 7.3420 7.3420 7.6866 7.6866 7.7236 7.7236 8.4458 8.4458 k = 0.2273 0.1723-0.0000 ( 11237 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8506 -13.8506 -13.0286 -13.0286 -12.8100 -12.8100 -12.7688 -12.7688 -3.3370 -3.3370 -3.3294 -3.3294 -2.9540 -2.9540 -1.9149 -1.9149 -1.7491 -1.7491 -1.4643 -1.4643 -1.2783 -1.2783 -1.0867 -1.0867 -0.4029 -0.4029 -0.2629 -0.2629 -0.0602 -0.0602 0.0974 0.0974 7.2997 7.2997 7.6064 7.6064 7.7850 7.7850 8.5174 8.5175 k = 0.2121 0.1608-0.0000 ( 11227 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8576 -13.8576 -13.0280 -13.0280 -12.8007 -12.8007 -12.7684 -12.7684 -3.3407 -3.3407 -3.3243 -3.3243 -2.9645 -2.9645 -1.9337 -1.9337 -1.7566 -1.7566 -1.4711 -1.4711 -1.2885 -1.2885 -1.0958 -1.0958 -0.3895 -0.3895 -0.2240 -0.2240 -0.0469 -0.0469 0.0944 0.0944 7.2585 7.2585 7.5289 7.5289 7.8480 7.8480 8.5486 8.5486 k = 0.1970 0.1493-0.0000 ( 11239 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8644 -13.8644 -13.0275 -13.0275 -12.7917 -12.7917 -12.7680 -12.7680 -3.3514 -3.3514 -3.3121 -3.3121 -2.9746 -2.9746 -1.9522 -1.9522 -1.7638 -1.7638 -1.4769 -1.4769 -1.2983 -1.2983 -1.1047 -1.1047 -0.3774 -0.3774 -0.1859 -0.1859 -0.0340 -0.0340 0.0917 0.0917 7.2188 7.2188 7.4546 7.4546 7.9119 7.9119 8.5776 8.5776 k = 0.1818 0.1378-0.0000 ( 11249 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8709 -13.8709 -13.0270 -13.0270 -12.7831 -12.7831 -12.7676 -12.7676 -3.3617 -3.3617 -3.2998 -3.2998 -2.9844 -2.9844 -1.9705 -1.9705 -1.7706 -1.7706 -1.4819 -1.4819 -1.3078 -1.3078 -1.1134 -1.1134 -0.3663 -0.3663 -0.1494 -0.1494 -0.0217 -0.0217 0.0896 0.0896 7.1809 7.1809 7.3840 7.3840 7.9763 7.9763 8.6041 8.6041 k = 0.1667 0.1263-0.0000 ( 11261 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8770 -13.8770 -13.0264 -13.0264 -12.7750 -12.7750 -12.7673 -12.7673 -3.3715 -3.3715 -3.2878 -3.2878 -2.9936 -2.9936 -1.9883 -1.9883 -1.7771 -1.7771 -1.4862 -1.4862 -1.3168 -1.3168 -1.1218 -1.1218 -0.3560 -0.3560 -0.1150 -0.1150 -0.0101 -0.0101 0.0883 0.0883 7.1450 7.1450 7.3174 7.3174 8.0405 8.0405 8.6278 8.6278 k = 0.1515 0.1148-0.0000 ( 11255 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8827 -13.8827 -13.0260 -13.0260 -12.7674 -12.7674 -12.7669 -12.7669 -3.3807 -3.3807 -3.2761 -3.2761 -3.0023 -3.0023 -2.0054 -2.0054 -1.7832 -1.7832 -1.4897 -1.4897 -1.3252 -1.3252 -1.1297 -1.1297 -0.3466 -0.3466 -0.0833 -0.0833 0.0007 0.0007 0.0881 0.0881 7.1114 7.1114 7.2554 7.2554 8.1041 8.1041 8.6487 8.6487 k = 0.1364 0.1034-0.0000 ( 11255 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8880 -13.8880 -13.0255 -13.0255 -12.7666 -12.7666 -12.7603 -12.7603 -3.3893 -3.3893 -3.2650 -3.2650 -3.0103 -3.0103 -2.0216 -2.0216 -1.7888 -1.7888 -1.4927 -1.4927 -1.3330 -1.3330 -1.1372 -1.1372 -0.3380 -0.3380 -0.0549 -0.0549 0.0105 0.0105 0.0893 0.0893 7.0803 7.0803 7.1981 7.1981 8.1662 8.1662 8.6667 8.6667 k = 0.1212 0.0919-0.0000 ( 11251 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8928 -13.8928 -13.0251 -13.0251 -12.7663 -12.7663 -12.7539 -12.7539 -3.3971 -3.3971 -3.2544 -3.2544 -3.0177 -3.0177 -2.0368 -2.0368 -1.7939 -1.7939 -1.4952 -1.4952 -1.3401 -1.3401 -1.1442 -1.1442 -0.3302 -0.3302 -0.0305 -0.0305 0.0192 0.0192 0.0922 0.0922 7.0519 7.0519 7.1460 7.1460 8.2261 8.2261 8.6818 8.6818 k = 0.1061 0.0804-0.0000 ( 11259 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8971 -13.8971 -13.0247 -13.0247 -12.7661 -12.7661 -12.7481 -12.7481 -3.4042 -3.4042 -3.2447 -3.2447 -3.0243 -3.0243 -2.0507 -2.0507 -1.7985 -1.7985 -1.4972 -1.4972 -1.3464 -1.3464 -1.1505 -1.1505 -0.3232 -0.3232 -0.0109 -0.0109 0.0272 0.0272 0.0973 0.0973 7.0263 7.0263 7.0993 7.0993 8.2830 8.2830 8.6943 8.6943 k = 0.0909 0.0689-0.0000 ( 11263 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.9009 -13.9009 -13.0244 -13.0244 -12.7658 -12.7658 -12.7430 -12.7430 -3.4104 -3.4104 -3.2358 -3.2358 -3.0302 -3.0302 -2.0633 -2.0633 -1.8026 -1.8026 -1.4988 -1.4988 -1.3520 -1.3520 -1.1561 -1.1561 -0.3171 -0.3171 0.0034 0.0034 0.0348 0.0348 0.1043 0.1043 7.0037 7.0037 7.0585 7.0585 8.3358 8.3358 8.7045 8.7045 k = 0.0758 0.0574-0.0000 ( 11251 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.9041 -13.9041 -13.0241 -13.0241 -12.7656 -12.7656 -12.7386 -12.7386 -3.4158 -3.4158 -3.2281 -3.2281 -3.0352 -3.0352 -2.0742 -2.0742 -1.8060 -1.8060 -1.5001 -1.5001 -1.3568 -1.3568 -1.1610 -1.1610 -0.3119 -0.3119 0.0126 0.0126 0.0420 0.0420 0.1127 0.1127 6.9842 6.9842 7.0237 7.0237 8.3835 8.3835 8.7125 8.7125 k = 0.0606 0.0459-0.0000 ( 11243 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.9067 -13.9067 -13.0238 -13.0238 -12.7654 -12.7654 -12.7350 -12.7350 -3.4203 -3.4203 -3.2215 -3.2215 -3.0394 -3.0394 -2.0834 -2.0834 -1.8089 -1.8089 -1.5011 -1.5011 -1.3607 -1.3607 -1.1651 -1.1651 -0.3076 -0.3076 0.0179 0.0179 0.0486 0.0486 0.1214 0.1214 6.9676 6.9676 6.9954 6.9954 8.4248 8.4248 8.7188 8.7188 k = 0.0455 0.0345-0.0000 ( 11231 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.9088 -13.9088 -13.0236 -13.0236 -12.7653 -12.7653 -12.7322 -12.7322 -3.4237 -3.4237 -3.2163 -3.2163 -3.0426 -3.0426 -2.0907 -2.0907 -1.8111 -1.8111 -1.5018 -1.5018 -1.3637 -1.3637 -1.1683 -1.1683 -0.3042 -0.3042 0.0209 0.0209 0.0539 0.0539 0.1294 0.1294 6.9538 6.9538 6.9739 6.9739 8.4585 8.4585 8.7233 8.7233 k = 0.0303 0.0230-0.0000 ( 11233 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.9103 -13.9103 -13.0235 -13.0235 -12.7652 -12.7652 -12.7302 -12.7302 -3.4263 -3.4263 -3.2125 -3.2125 -3.0450 -3.0450 -2.0960 -2.0960 -1.8127 -1.8127 -1.5023 -1.5023 -1.3659 -1.3659 -1.1707 -1.1707 -0.3018 -0.3018 0.0226 0.0226 0.0577 0.0577 0.1356 0.1356 6.9430 6.9430 6.9595 6.9595 8.4835 8.4835 8.7265 8.7265 k = 0.0152 0.0115-0.0000 ( 11219 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.9112 -13.9112 -13.0234 -13.0234 -12.7652 -12.7652 -12.7290 -12.7290 -3.4278 -3.4278 -3.2102 -3.2102 -3.0464 -3.0464 -2.0992 -2.0992 -1.8137 -1.8137 -1.5026 -1.5026 -1.3672 -1.3672 -1.1721 -1.1721 -0.3004 -0.3004 0.0234 0.0234 0.0600 0.0600 0.1396 0.1396 6.9357 6.9357 6.9515 6.9515 8.4990 8.4990 8.7283 8.7283 k = 0.0000 0.0000 0.0000 ( 11223 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.9115 -13.9115 -13.0234 -13.0234 -12.7651 -12.7651 -12.7285 -12.7285 -3.4283 -3.4283 -3.2094 -3.2094 -3.0468 -3.0468 -2.1003 -2.1003 -1.8140 -1.8140 -1.5027 -1.5027 -1.3676 -1.3676 -1.1725 -1.1725 -0.2999 -0.2999 0.0236 0.0236 0.0607 0.0607 0.1410 0.1410 6.9332 6.9332 6.9489 6.9489 8.5042 8.5042 8.7289 8.7289 k = 0.0000 0.0000 0.0000 ( 11223 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.9115 -13.9115 -13.0234 -13.0234 -12.7651 -12.7651 -12.7285 -12.7285 -3.4283 -3.4283 -3.2094 -3.2094 -3.0468 -3.0468 -2.1003 -2.1003 -1.8140 -1.8140 -1.5027 -1.5027 -1.3676 -1.3676 -1.1725 -1.1725 -0.2999 -0.2999 0.0236 0.0236 0.0607 0.0607 0.1410 0.1410 6.9332 6.9332 6.9489 6.9489 8.5042 8.5042 8.7289 8.7289 k = 0.0083-0.0109 0.0135 ( 11237 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.9112 -13.9112 -13.0234 -13.0234 -12.7654 -12.7654 -12.7287 -12.7287 -3.4279 -3.4279 -3.2092 -3.2092 -3.0474 -3.0474 -2.0999 -2.0999 -1.8145 -1.8145 -1.5028 -1.5028 -1.3708 -1.3708 -1.1680 -1.1680 -0.3003 -0.3003 0.0229 0.0229 0.0603 0.0603 0.1403 0.1403 6.9364 6.9364 6.9511 6.9511 8.5045 8.5045 8.7311 8.7311 k = 0.0165-0.0218 0.0271 ( 11239 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.9104 -13.9104 -13.0235 -13.0235 -12.7661 -12.7661 -12.7290 -12.7290 -3.4268 -3.4268 -3.2086 -3.2086 -3.0491 -3.0491 -2.0987 -2.0987 -1.8161 -1.8161 -1.5029 -1.5029 -1.3793 -1.3793 -1.1551 -1.1551 -0.3016 -0.3016 0.0209 0.0209 0.0588 0.0588 0.1386 0.1386 6.9460 6.9460 6.9575 6.9575 8.5051 8.5051 8.7375 8.7375 k = 0.0248-0.0327 0.0406 ( 11249 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.9089 -13.9089 -13.0235 -13.0235 -12.7674 -12.7674 -12.7295 -12.7295 -3.4250 -3.4250 -3.2075 -3.2075 -3.0519 -3.0519 -2.0967 -2.0967 -1.8187 -1.8187 -1.5031 -1.5031 -1.3914 -1.3914 -1.1358 -1.1358 -0.3037 -0.3037 0.0172 0.0172 0.0559 0.0559 0.1365 0.1365 6.9620 6.9620 6.9681 6.9681 8.5063 8.5063 8.7483 8.7483 k = 0.0331-0.0437 0.0542 ( 11247 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.9070 -13.9070 -13.0236 -13.0236 -12.7691 -12.7691 -12.7302 -12.7302 -3.4225 -3.4225 -3.2061 -3.2061 -3.0558 -3.0558 -2.0939 -2.0939 -1.8222 -1.8222 -1.5036 -1.5036 -1.4051 -1.4051 -1.1119 -1.1119 -0.3067 -0.3067 0.0117 0.0117 0.0508 0.0508 0.1350 0.1350 6.9829 6.9829 6.9842 6.9842 8.5080 8.5080 8.7632 8.7632 k = 0.0414-0.0546 0.0677 ( 11249 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.9044 -13.9044 -13.0238 -13.0238 -12.7713 -12.7713 -12.7312 -12.7312 -3.4193 -3.4193 -3.2043 -3.2043 -3.0606 -3.0606 -2.0904 -2.0904 -1.8267 -1.8267 -1.5045 -1.5045 -1.4190 -1.4190 -1.0846 -1.0846 -0.3105 -0.3105 0.0036 0.0036 0.0433 0.0433 0.1351 0.1351 7.0020 7.0020 7.0124 7.0124 8.5102 8.5102 8.7823 8.7823 k = 0.0496-0.0655 0.0813 ( 11249 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.9013 -13.9013 -13.0239 -13.0239 -12.7740 -12.7740 -12.7323 -12.7323 -3.4154 -3.4154 -3.2021 -3.2021 -3.0664 -3.0664 -2.0861 -2.0861 -1.8321 -1.8321 -1.5062 -1.5062 -1.4321 -1.4321 -1.0549 -1.0549 -0.3151 -0.3151 -0.0082 -0.0082 0.0343 0.0343 0.1372 0.1372 7.0252 7.0252 7.0463 7.0463 8.5130 8.5130 8.8053 8.8053 k = 0.0579-0.0764 0.0948 ( 11267 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8978 -13.8978 -13.0241 -13.0241 -12.7771 -12.7771 -12.7337 -12.7337 -3.4108 -3.4108 -3.1996 -3.1996 -3.0729 -3.0729 -2.0810 -2.0810 -1.8384 -1.8384 -1.5090 -1.5090 -1.4434 -1.4434 -1.0233 -1.0233 -0.3205 -0.3205 -0.0246 -0.0246 0.0248 0.0248 0.1414 0.1414 7.0525 7.0525 7.0857 7.0857 8.5165 8.5165 8.8322 8.8322 k = 0.0662-0.0873 0.1084 ( 11265 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8937 -13.8937 -13.0243 -13.0243 -12.7806 -12.7806 -12.7352 -12.7352 -3.4055 -3.4055 -3.1969 -3.1969 -3.0802 -3.0802 -2.0752 -2.0752 -1.8453 -1.8453 -1.5132 -1.5132 -1.4523 -1.4523 -0.9903 -0.9903 -0.3267 -0.3267 -0.0461 -0.0461 0.0155 0.0155 0.1475 0.1475 7.0837 7.0837 7.1302 7.1302 8.5207 8.5207 8.8627 8.8627 k = 0.0744-0.0982 0.1219 ( 11261 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8891 -13.8891 -13.0246 -13.0246 -12.7845 -12.7845 -12.7370 -12.7370 -3.3995 -3.3995 -3.1939 -3.1939 -3.0880 -3.0880 -2.0687 -2.0687 -1.8529 -1.8529 -1.5188 -1.5188 -1.4585 -1.4585 -0.9561 -0.9561 -0.3337 -0.3337 -0.0720 -0.0720 0.0063 0.0063 0.1551 0.1551 7.1190 7.1190 7.1794 7.1794 8.5259 8.5259 8.8965 8.8965 k = 0.0827-0.1091 0.1354 ( 11261 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8840 -13.8840 -13.0248 -13.0248 -12.7888 -12.7888 -12.7389 -12.7389 -3.3929 -3.3929 -3.1908 -3.1908 -3.0963 -3.0963 -2.0615 -2.0615 -1.8611 -1.8611 -1.5256 -1.5256 -1.4623 -1.4623 -0.9211 -0.9211 -0.3416 -0.3416 -0.1017 -0.1017 -0.0031 -0.0031 0.1641 0.1641 7.1580 7.1580 7.2327 7.2327 8.5322 8.5322 8.9335 8.9335 k = 0.0910-0.1200 0.1490 ( 11253 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8786 -13.8786 -13.0251 -13.0251 -12.7934 -12.7934 -12.7411 -12.7411 -3.3856 -3.3856 -3.1875 -3.1875 -3.1050 -3.1050 -2.0537 -2.0537 -1.8697 -1.8697 -1.5327 -1.5327 -1.4643 -1.4643 -0.8855 -0.8855 -0.3503 -0.3503 -0.1345 -0.1345 -0.0129 -0.0129 0.1741 0.1741 7.2008 7.2008 7.2896 7.2896 8.5399 8.5399 8.9730 8.9730 k = 0.0993-0.1310 0.1625 ( 11251 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8727 -13.8727 -13.0255 -13.0255 -12.7983 -12.7983 -12.7435 -12.7435 -3.3777 -3.3777 -3.1842 -3.1842 -3.1139 -3.1139 -2.0452 -2.0452 -1.8787 -1.8787 -1.5397 -1.5397 -1.4649 -1.4649 -0.8494 -0.8494 -0.3600 -0.3600 -0.1696 -0.1696 -0.0234 -0.0234 0.1850 0.1850 7.2471 7.2471 7.3493 7.3493 8.5492 8.5492 9.0147 9.0147 k = 0.1075-0.1419 0.1761 ( 11237 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8665 -13.8665 -13.0258 -13.0258 -12.8034 -12.8034 -12.7460 -12.7460 -3.3692 -3.3692 -3.1810 -3.1810 -3.1228 -3.1228 -2.0361 -2.0361 -1.8878 -1.8878 -1.5461 -1.5461 -1.4646 -1.4646 -0.8131 -0.8131 -0.3709 -0.3709 -0.2064 -0.2064 -0.0347 -0.0347 0.1967 0.1967 7.2969 7.2969 7.4112 7.4112 8.5607 8.5607 9.0579 9.0579 k = 0.1158-0.1528 0.1896 ( 11237 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8600 -13.8600 -13.0262 -13.0262 -12.8087 -12.8087 -12.7488 -12.7488 -3.3601 -3.3601 -3.1778 -3.1778 -3.1317 -3.1317 -2.0265 -2.0265 -1.8971 -1.8971 -1.5516 -1.5516 -1.4636 -1.4636 -0.7767 -0.7767 -0.3833 -0.3833 -0.2440 -0.2440 -0.0469 -0.0469 0.2089 0.2089 7.3500 7.3500 7.4741 7.4741 8.5749 8.5749 9.1016 9.1016 k = 0.1241-0.1637 0.2032 ( 11253 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8531 -13.8531 -13.0266 -13.0266 -12.8141 -12.8141 -12.7517 -12.7517 -3.3504 -3.3504 -3.1749 -3.1749 -3.1404 -3.1404 -2.0163 -2.0163 -1.9063 -1.9063 -1.5560 -1.5560 -1.4620 -1.4620 -0.7405 -0.7405 -0.3981 -0.3981 -0.2813 -0.2813 -0.0599 -0.0599 0.2216 0.2216 7.4062 7.4062 7.5369 7.5369 8.5925 8.5925 9.1445 9.1445 k = 0.1324-0.1746 0.2167 ( 11259 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8461 -13.8461 -13.0270 -13.0270 -12.8197 -12.8197 -12.7548 -12.7548 -3.3403 -3.3403 -3.1722 -3.1722 -3.1488 -3.1488 -2.0057 -2.0057 -1.9153 -1.9153 -1.5592 -1.5592 -1.4599 -1.4599 -0.7046 -0.7046 -0.4165 -0.4165 -0.3164 -0.3164 -0.0739 -0.0739 0.2346 0.2346 7.4653 7.4653 7.5984 7.5984 8.6144 8.6144 9.1816 9.1816 k = 0.1406-0.1855 0.2302 ( 11267 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8388 -13.8388 -13.0275 -13.0275 -12.8253 -12.8253 -12.7581 -12.7581 -3.3297 -3.3297 -3.1701 -3.1701 -3.1566 -3.1566 -1.9946 -1.9946 -1.9239 -1.9239 -1.5612 -1.5612 -1.4574 -1.4574 -0.6695 -0.6695 -0.4404 -0.4404 -0.3470 -0.3470 -0.0889 -0.0889 0.2477 0.2477 7.5271 7.5271 7.6572 7.6572 8.6415 8.6415 9.1650 9.1650 k = 0.1489-0.1964 0.2438 ( 11275 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8314 -13.8314 -13.0280 -13.0280 -12.8309 -12.8309 -12.7616 -12.7616 -3.3186 -3.3186 -3.1692 -3.1692 -3.1631 -3.1631 -1.9831 -1.9831 -1.9321 -1.9321 -1.5619 -1.5619 -1.4545 -1.4545 -0.6358 -0.6358 -0.4704 -0.4704 -0.3715 -0.3715 -0.1048 -0.1048 0.2609 0.2609 7.5912 7.5912 7.7117 7.7117 8.6749 8.6749 9.1419 9.1419 k = 0.1572-0.2074 0.2573 ( 11258 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8239 -13.8239 -13.0285 -13.0285 -12.8365 -12.8365 -12.7653 -12.7653 -3.3072 -3.3072 -3.1728 -3.1728 -3.1650 -3.1650 -1.9713 -1.9713 -1.9397 -1.9397 -1.5613 -1.5613 -1.4511 -1.4511 -0.6060 -0.6060 -0.5032 -0.5032 -0.3906 -0.3906 -0.1218 -0.1218 0.2739 0.2739 7.6574 7.6574 7.7605 7.7605 8.7157 8.7157 9.1175 9.1175 k = 0.1654-0.2183 0.2709 ( 11262 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8163 -13.8163 -13.0290 -13.0290 -12.8419 -12.8419 -12.7691 -12.7691 -3.2954 -3.2954 -3.1786 -3.1786 -3.1647 -3.1647 -1.9592 -1.9592 -1.9466 -1.9466 -1.5594 -1.5594 -1.4472 -1.4472 -0.5914 -0.5914 -0.5254 -0.5254 -0.4060 -0.4060 -0.1396 -0.1396 0.2867 0.2867 7.7253 7.7253 7.8022 7.8022 8.7646 8.7646 9.0918 9.0918 k = 0.1737-0.2292 0.2844 ( 11258 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8087 -13.8087 -13.0296 -13.0296 -12.8472 -12.8472 -12.7731 -12.7731 -3.2834 -3.2834 -3.1839 -3.1839 -3.1647 -3.1647 -1.9526 -1.9526 -1.9469 -1.9469 -1.5563 -1.5563 -1.4429 -1.4429 -0.6134 -0.6134 -0.5147 -0.5147 -0.4188 -0.4188 -0.1584 -0.1584 0.2990 0.2990 7.7944 7.7944 7.8361 7.8361 8.8220 8.8220 9.0654 9.0654 k = 0.1820-0.2401 0.2980 ( 11260 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.8013 -13.8013 -13.0301 -13.0301 -12.8522 -12.8522 -12.7772 -12.7772 -3.2711 -3.2711 -3.1884 -3.1884 -3.1653 -3.1653 -1.9576 -1.9576 -1.9344 -1.9344 -1.5520 -1.5520 -1.4380 -1.4380 -0.6526 -0.6526 -0.4904 -0.4904 -0.4287 -0.4287 -0.1781 -0.1781 0.3108 0.3108 7.8593 7.8593 7.8667 7.8667 8.8878 8.8878 9.0385 9.0385 k = 0.1903-0.2510 0.3115 ( 11260 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7939 -13.7939 -13.0307 -13.0307 -12.8570 -12.8570 -12.7815 -12.7815 -3.2587 -3.2587 -3.1920 -3.1920 -3.1668 -3.1668 -1.9615 -1.9615 -1.9218 -1.9218 -1.5466 -1.5466 -1.4325 -1.4325 -0.6956 -0.6956 -0.4710 -0.4710 -0.4304 -0.4304 -0.1987 -0.1987 0.3219 0.3219 7.8783 7.8783 7.9351 7.9351 8.9612 8.9612 9.0117 9.0117 k = 0.1985-0.2619 0.3251 ( 11262 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7867 -13.7867 -13.0313 -13.0313 -12.8614 -12.8614 -12.7859 -12.7859 -3.2463 -3.2463 -3.1946 -3.1946 -3.1691 -3.1691 -1.9643 -1.9643 -1.9091 -1.9091 -1.5400 -1.5400 -1.4264 -1.4264 -0.7395 -0.7395 -0.4689 -0.4689 -0.4143 -0.4143 -0.2200 -0.2200 0.3323 0.3323 7.8877 7.8877 8.0047 8.0047 8.9846 8.9846 9.0423 9.0423 k = 0.2068-0.2728 0.3386 ( 11262 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7797 -13.7797 -13.0319 -13.0319 -12.8654 -12.8654 -12.7905 -12.7905 -3.2339 -3.2339 -3.1962 -3.1962 -3.1722 -3.1722 -1.9658 -1.9658 -1.8964 -1.8964 -1.5324 -1.5324 -1.4196 -1.4196 -0.7832 -0.7832 -0.4761 -0.4761 -0.3894 -0.3894 -0.2421 -0.2421 0.3417 0.3417 7.8898 7.8898 8.0726 8.0726 8.9597 8.9597 9.1276 9.1276 k = 0.2151-0.2838 0.3521 ( 11272 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7730 -13.7730 -13.0325 -13.0325 -12.8690 -12.8690 -12.7952 -12.7952 -3.2217 -3.2217 -3.1967 -3.1967 -3.1763 -3.1763 -1.9660 -1.9660 -1.8838 -1.8838 -1.5237 -1.5237 -1.4122 -1.4122 -0.8262 -0.8262 -0.4852 -0.4852 -0.3633 -0.3633 -0.2647 -0.2647 0.3502 0.3502 7.8855 7.8855 8.1377 8.1377 8.9368 8.9368 9.1318 9.1318 k = 0.2233-0.2947 0.3657 ( 11264 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7666 -13.7666 -13.0331 -13.0331 -12.8721 -12.8721 -12.8000 -12.8000 -3.2097 -3.2097 -3.1960 -3.1960 -3.1813 -3.1813 -1.9649 -1.9649 -1.8713 -1.8713 -1.5141 -1.5141 -1.4041 -1.4041 -0.8681 -0.8681 -0.4947 -0.4947 -0.3384 -0.3384 -0.2873 -0.2873 0.3576 0.3576 7.8754 7.8754 8.1982 8.1982 8.9176 8.9176 9.0949 9.0949 k = 0.2316-0.3056 0.3792 ( 11262 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7606 -13.7606 -13.0337 -13.0337 -12.8746 -12.8746 -12.8049 -12.8049 -3.1983 -3.1983 -3.1939 -3.1939 -3.1871 -3.1871 -1.9624 -1.9624 -1.8590 -1.8590 -1.5037 -1.5037 -1.3953 -1.3953 -0.9088 -0.9088 -0.5040 -0.5040 -0.3225 -0.3225 -0.3025 -0.3025 0.3639 0.3639 7.8603 7.8603 8.2518 8.2518 8.9037 8.9037 9.0563 9.0563 k = 0.2399-0.3165 0.3928 ( 11254 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7550 -13.7550 -13.0343 -13.0343 -12.8766 -12.8766 -12.8099 -12.8099 -3.1946 -3.1946 -3.1916 -3.1916 -3.1857 -3.1857 -1.9586 -1.9586 -1.8469 -1.8469 -1.4924 -1.4924 -1.3858 -1.3858 -0.9478 -0.9478 -0.5132 -0.5132 -0.3401 -0.3401 -0.2861 -0.2861 0.3689 0.3689 7.8408 7.8408 8.2961 8.2961 8.8971 8.8971 9.0164 9.0164 k = 0.2482-0.3274 0.4063 ( 11254 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7499 -13.7499 -13.0348 -13.0348 -12.8779 -12.8779 -12.8150 -12.8150 -3.2021 -3.2021 -3.1872 -3.1872 -3.1753 -3.1753 -1.9535 -1.9535 -1.8351 -1.8351 -1.4804 -1.4804 -1.3756 -1.3756 -0.9849 -0.9849 -0.5221 -0.5221 -0.3642 -0.3642 -0.2650 -0.2650 0.3727 0.3727 7.8177 7.8177 8.3286 8.3286 8.8994 8.8994 8.9756 8.9756 k = 0.2564-0.3383 0.4199 ( 11258 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7453 -13.7453 -13.0354 -13.0354 -12.8786 -12.8786 -12.8201 -12.8201 -3.2107 -3.2107 -3.1817 -3.1817 -3.1652 -3.1652 -1.9471 -1.9471 -1.8237 -1.8237 -1.4677 -1.4677 -1.3646 -1.3646 -1.0200 -1.0200 -0.5308 -0.5308 -0.3890 -0.3890 -0.2450 -0.2450 0.3752 0.3752 7.7913 7.7913 8.3477 8.3477 8.9111 8.9111 8.9342 8.9342 k = 0.2647-0.3492 0.4334 ( 11254 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7412 -13.7412 -13.0360 -13.0360 -12.8787 -12.8787 -12.8254 -12.8254 -3.2200 -3.2200 -3.1751 -3.1751 -3.1558 -3.1558 -1.9394 -1.9394 -1.8127 -1.8127 -1.4544 -1.4544 -1.3530 -1.3530 -1.0528 -1.0528 -0.5394 -0.5394 -0.4140 -0.4140 -0.2264 -0.2264 0.3764 0.3764 7.7624 7.7624 8.3534 8.3534 8.8922 8.8922 8.9304 8.9304 k = 0.2730-0.3601 0.4469 ( 11250 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7376 -13.7376 -13.0365 -13.0365 -12.8782 -12.8782 -12.8306 -12.8306 -3.2300 -3.2300 -3.1673 -3.1673 -3.1472 -3.1472 -1.9306 -1.9306 -1.8022 -1.8022 -1.4406 -1.4406 -1.3406 -1.3406 -1.0833 -1.0833 -0.5482 -0.5482 -0.4385 -0.4385 -0.2096 -0.2096 0.3762 0.3762 7.7314 7.7314 8.3474 8.3474 8.8500 8.8500 8.9536 8.9536 k = 0.2812-0.3711 0.4605 ( 11250 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7345 -13.7345 -13.0370 -13.0370 -12.8769 -12.8769 -12.8360 -12.8360 -3.2406 -3.2406 -3.1584 -3.1584 -3.1395 -3.1395 -1.9208 -1.9208 -1.7921 -1.7921 -1.4263 -1.4263 -1.3277 -1.3277 -1.1111 -1.1111 -0.5576 -0.5576 -0.4622 -0.4622 -0.1944 -0.1944 0.3746 0.3746 7.6986 7.6986 8.3321 8.3321 8.8077 8.8077 8.9751 8.9751 k = 0.2895-0.3820 0.4740 ( 11248 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7320 -13.7320 -13.0374 -13.0374 -12.8751 -12.8751 -12.8413 -12.8413 -3.2517 -3.2517 -3.1483 -3.1483 -3.1328 -3.1328 -1.9100 -1.9100 -1.7826 -1.7826 -1.4116 -1.4116 -1.3141 -1.3141 -1.1362 -1.1362 -0.5686 -0.5686 -0.4839 -0.4839 -0.1811 -0.1811 0.3718 0.3718 7.6647 7.6647 8.3099 8.3099 8.7655 8.7655 8.9890 8.9890 k = 0.2978-0.3929 0.4876 ( 11252 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7300 -13.7300 -13.0379 -13.0379 -12.8727 -12.8727 -12.8467 -12.8467 -3.2633 -3.2633 -3.1372 -3.1372 -3.1272 -3.1272 -1.8983 -1.8983 -1.7737 -1.7737 -1.3967 -1.3967 -1.3001 -1.3001 -1.1585 -1.1585 -0.5821 -0.5821 -0.5025 -0.5025 -0.1695 -0.1695 0.3677 0.3677 7.6300 7.6300 8.2829 8.2829 8.7234 8.7234 8.9899 8.9899 k = 0.3061-0.4038 0.5011 ( 11256 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7285 -13.7285 -13.0382 -13.0382 -12.8696 -12.8696 -12.8520 -12.8520 -3.2752 -3.2752 -3.1250 -3.1250 -3.1227 -3.1227 -1.8859 -1.8859 -1.7654 -1.7654 -1.3814 -1.3814 -1.2856 -1.2856 -1.1778 -1.1778 -0.5991 -0.5991 -0.5171 -0.5171 -0.1598 -0.1598 0.3623 0.3623 7.5948 7.5948 8.2526 8.2526 8.6817 8.6817 8.9745 8.9745 k = 0.3143-0.4147 0.5147 ( 11256 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7275 -13.7275 -13.0386 -13.0386 -12.8661 -12.8661 -12.8574 -12.8574 -3.2873 -3.2873 -3.1193 -3.1193 -3.1119 -3.1119 -1.8728 -1.8728 -1.7576 -1.7576 -1.3660 -1.3660 -1.2710 -1.2710 -1.1940 -1.1940 -0.6197 -0.6197 -0.5275 -0.5275 -0.1518 -0.1518 0.3558 0.3558 7.5597 7.5597 8.2200 8.2200 8.6405 8.6405 8.9426 8.9426 k = 0.3226-0.4256 0.5282 ( 11256 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7270 -13.7270 -13.0389 -13.0389 -12.8627 -12.8627 -12.8620 -12.8620 -3.2996 -3.2996 -3.1172 -3.1172 -3.0979 -3.0979 -1.8593 -1.8593 -1.7505 -1.7505 -1.3506 -1.3506 -1.2567 -1.2567 -1.2065 -1.2065 -0.6428 -0.6428 -0.5346 -0.5346 -0.1456 -0.1456 0.3481 0.3481 7.5248 7.5248 8.1861 8.1861 8.5999 8.5999 8.8967 8.8967 k = 0.3226-0.4256 0.5282 ( 11256 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7270 -13.7270 -13.0389 -13.0389 -12.8627 -12.8627 -12.8620 -12.8620 -3.2996 -3.2996 -3.1172 -3.1172 -3.0979 -3.0979 -1.8593 -1.8593 -1.7505 -1.7505 -1.3506 -1.3506 -1.2567 -1.2567 -1.2065 -1.2065 -0.6428 -0.6428 -0.5346 -0.5346 -0.1456 -0.1456 0.3481 0.3481 7.5248 7.5248 8.1861 8.1861 8.5999 8.5999 8.8967 8.8967 k = 0.3319-0.4106 0.5220 ( 11250 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7273 -13.7273 -13.0386 -13.0386 -12.8664 -12.8664 -12.8577 -12.8577 -3.2937 -3.2937 -3.1243 -3.1243 -3.0985 -3.0985 -1.8667 -1.8667 -1.7530 -1.7530 -1.3610 -1.3610 -1.2632 -1.2632 -1.1975 -1.1975 -0.6322 -0.6322 -0.5318 -0.5318 -0.1478 -0.1478 0.3517 0.3517 7.5421 7.5421 8.2018 8.2018 8.6195 8.6195 8.9175 8.9175 k = 0.3413-0.3956 0.5157 ( 11248 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7280 -13.7280 -13.0382 -13.0382 -12.8706 -12.8706 -12.8527 -12.8527 -3.2875 -3.2875 -3.1379 -3.1379 -3.0931 -3.0931 -1.8762 -1.8762 -1.7541 -1.7541 -1.3774 -1.3774 -1.2678 -1.2678 -1.1830 -1.1830 -0.6224 -0.6224 -0.5286 -0.5286 -0.1497 -0.1497 0.3551 0.3551 7.5619 7.5619 8.2170 8.2170 8.6411 8.6411 8.9312 8.9312 k = 0.3506-0.3806 0.5094 ( 11245 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7290 -13.7290 -13.0376 -13.0376 -12.8747 -12.8747 -12.8475 -12.8475 -3.2809 -3.2809 -3.1529 -3.1529 -3.0867 -3.0867 -1.8874 -1.8874 -1.7540 -1.7540 -1.3979 -1.3979 -1.2701 -1.2701 -1.1653 -1.1653 -0.6135 -0.6135 -0.5253 -0.5253 -0.1513 -0.1513 0.3580 0.3580 7.5843 7.5843 8.2319 8.2319 8.6645 8.6645 8.9370 8.9370 k = 0.3600-0.3656 0.5032 ( 11249 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7302 -13.7302 -13.0369 -13.0369 -12.8786 -12.8786 -12.8423 -12.8423 -3.2741 -3.2741 -3.1682 -3.1682 -3.0802 -3.0802 -1.9000 -1.9000 -1.7530 -1.7530 -1.4207 -1.4207 -1.2708 -1.2708 -1.1457 -1.1457 -0.6054 -0.6054 -0.5220 -0.5220 -0.1525 -0.1525 0.3606 0.3606 7.6090 7.6090 8.2462 8.2462 8.6894 8.6894 8.9340 8.9340 k = 0.3693-0.3506 0.4969 ( 11243 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7316 -13.7316 -13.0359 -13.0359 -12.8825 -12.8825 -12.8370 -12.8370 -3.2671 -3.2671 -3.1834 -3.1834 -3.0739 -3.0739 -1.9134 -1.9134 -1.7514 -1.7514 -1.4445 -1.4445 -1.2703 -1.2703 -1.1248 -1.1248 -0.5980 -0.5980 -0.5188 -0.5188 -0.1534 -0.1534 0.3628 0.3628 7.6359 7.6359 8.2601 8.2601 8.7157 8.7157 8.9221 8.9221 k = 0.3786-0.3355 0.4907 ( 11243 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7331 -13.7331 -13.0349 -13.0349 -12.8863 -12.8863 -12.8318 -12.8318 -3.2600 -3.2600 -3.1983 -3.1983 -3.0678 -3.0678 -1.9273 -1.9273 -1.7493 -1.7493 -1.4685 -1.4685 -1.2693 -1.2693 -1.1033 -1.1033 -0.5912 -0.5912 -0.5158 -0.5158 -0.1541 -0.1541 0.3644 0.3644 7.6650 7.6650 8.2733 8.2733 8.7430 8.7430 8.9018 8.9018 k = 0.3880-0.3205 0.4844 ( 11242 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7348 -13.7348 -13.0338 -13.0338 -12.8899 -12.8899 -12.8268 -12.8268 -3.2530 -3.2530 -3.2126 -3.2126 -3.0619 -3.0619 -1.9415 -1.9415 -1.7469 -1.7469 -1.4921 -1.4921 -1.2680 -1.2680 -1.0816 -1.0816 -0.5849 -0.5849 -0.5133 -0.5133 -0.1546 -0.1546 0.3656 0.3656 7.6960 7.6960 8.2859 8.2859 8.7711 8.7711 8.8742 8.8742 k = 0.3973-0.3055 0.4782 ( 11241 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7365 -13.7365 -13.0325 -13.0325 -12.8933 -12.8933 -12.8219 -12.8219 -3.2461 -3.2461 -3.2262 -3.2262 -3.0564 -3.0564 -1.9555 -1.9555 -1.7443 -1.7443 -1.5148 -1.5148 -1.2665 -1.2665 -1.0600 -1.0600 -0.5790 -0.5790 -0.5112 -0.5112 -0.1549 -0.1549 0.3664 0.3664 7.7288 7.7288 8.2978 8.2978 8.7995 8.7995 8.8407 8.8407 k = 0.4066-0.2905 0.4719 ( 11252 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7383 -13.7383 -13.0313 -13.0313 -12.8966 -12.8966 -12.8172 -12.8172 -3.2411 -3.2411 -3.2373 -3.2373 -3.0513 -3.0513 -1.9693 -1.9693 -1.7418 -1.7418 -1.5364 -1.5364 -1.2649 -1.2649 -1.0389 -1.0389 -0.5734 -0.5734 -0.5096 -0.5096 -0.1550 -0.1550 0.3666 0.3666 7.7632 7.7632 8.3090 8.3090 8.8013 8.8013 8.8293 8.8293 k = 0.4160-0.2755 0.4656 ( 11253 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7399 -13.7399 -13.0300 -13.0300 -12.8996 -12.8996 -12.8129 -12.8129 -3.2515 -3.2515 -3.2323 -3.2323 -3.0465 -3.0465 -1.9824 -1.9824 -1.7392 -1.7392 -1.5566 -1.5566 -1.2634 -1.2634 -1.0187 -1.0187 -0.5681 -0.5681 -0.5085 -0.5085 -0.1549 -0.1549 0.3665 0.3665 7.7990 7.7990 8.3194 8.3194 8.7602 8.7602 8.8573 8.8573 k = 0.4253-0.2605 0.4594 ( 11257 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7416 -13.7416 -13.0288 -13.0288 -12.9024 -12.9024 -12.8088 -12.8088 -3.2624 -3.2624 -3.2262 -3.2262 -3.0422 -3.0422 -1.9948 -1.9948 -1.7368 -1.7368 -1.5752 -1.5752 -1.2620 -1.2620 -0.9995 -0.9995 -0.5630 -0.5630 -0.5081 -0.5081 -0.1547 -0.1547 0.3660 0.3660 7.8358 7.8358 8.3291 8.3291 8.7167 8.7167 8.8850 8.8850 k = 0.4346-0.2455 0.4531 ( 11249 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7431 -13.7431 -13.0276 -13.0276 -12.9050 -12.9050 -12.8051 -12.8051 -3.2723 -3.2723 -3.2204 -3.2204 -3.0382 -3.0382 -2.0061 -2.0061 -1.7346 -1.7346 -1.5920 -1.5920 -1.2607 -1.2607 -0.9818 -0.9818 -0.5580 -0.5580 -0.5082 -0.5082 -0.1543 -0.1543 0.3652 0.3652 7.8733 7.8733 8.3381 8.3381 8.6720 8.6720 8.9114 8.9114 k = 0.4440-0.2304 0.4469 ( 11253 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7445 -13.7445 -13.0265 -13.0265 -12.9073 -12.9073 -12.8019 -12.8019 -3.2810 -3.2810 -3.2152 -3.2152 -3.0348 -3.0348 -2.0164 -2.0164 -1.7326 -1.7326 -1.6069 -1.6069 -1.2595 -1.2595 -0.9658 -0.9658 -0.5533 -0.5533 -0.5090 -0.5090 -0.1539 -0.1539 0.3642 0.3642 7.9108 7.9108 8.3464 8.3464 8.6272 8.6272 8.9362 8.9362 k = 0.4533-0.2154 0.4406 ( 11253 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7457 -13.7457 -13.0255 -13.0255 -12.9093 -12.9093 -12.7991 -12.7991 -3.2885 -3.2885 -3.2107 -3.2107 -3.0319 -3.0319 -2.0253 -2.0253 -1.7308 -1.7308 -1.6197 -1.6197 -1.2585 -1.2585 -0.9518 -0.9518 -0.5487 -0.5487 -0.5103 -0.5103 -0.1534 -0.1534 0.3631 0.3631 7.9477 7.9477 8.3543 8.3543 8.5831 8.5831 8.9586 8.9586 k = 0.4627-0.2004 0.4344 ( 11250 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7467 -13.7467 -13.0246 -13.0246 -12.9109 -12.9109 -12.7967 -12.7967 -3.2947 -3.2947 -3.2068 -3.2068 -3.0294 -3.0294 -2.0328 -2.0328 -1.7294 -1.7294 -1.6303 -1.6303 -1.2577 -1.2577 -0.9400 -0.9400 -0.5442 -0.5442 -0.5121 -0.5121 -0.1529 -0.1529 0.3620 0.3620 7.9829 7.9829 8.3620 8.3620 8.5405 8.5405 8.9780 8.9780 k = 0.4720-0.1854 0.4281 ( 11250 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7475 -13.7475 -13.0239 -13.0239 -12.9122 -12.9122 -12.7948 -12.7948 -3.2996 -3.2996 -3.2037 -3.2037 -3.0275 -3.0275 -2.0387 -2.0387 -1.7282 -1.7282 -1.6387 -1.6387 -1.2570 -1.2570 -0.9305 -0.9305 -0.5400 -0.5400 -0.5143 -0.5143 -0.1524 -0.1524 0.3611 0.3611 8.0145 8.0145 8.3703 8.3703 8.5008 8.5008 8.9940 8.9940 k = 0.4813-0.1704 0.4218 ( 11250 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7481 -13.7481 -13.0234 -13.0234 -12.9132 -12.9132 -12.7935 -12.7935 -3.3031 -3.3031 -3.2015 -3.2015 -3.0261 -3.0261 -2.0430 -2.0430 -1.7273 -1.7273 -1.6447 -1.6447 -1.2566 -1.2566 -0.9237 -0.9237 -0.5362 -0.5362 -0.5168 -0.5168 -0.1520 -0.1520 0.3603 0.3603 8.0405 8.0405 8.3801 8.3801 8.4651 8.4651 9.0059 9.0059 k = 0.4907-0.1554 0.4156 ( 11247 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7485 -13.7485 -13.0231 -13.0231 -12.9138 -12.9138 -12.7927 -12.7927 -3.3052 -3.3052 -3.2001 -3.2001 -3.0253 -3.0253 -2.0456 -2.0456 -1.7268 -1.7268 -1.6484 -1.6484 -1.2563 -1.2563 -0.9195 -0.9195 -0.5332 -0.5332 -0.5190 -0.5190 -0.1518 -0.1518 0.3598 0.3598 8.0580 8.0580 8.3929 8.3929 8.4350 8.4350 9.0132 9.0132 k = 0.5000-0.1403 0.4093 ( 11246 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7486 -13.7486 -13.0229 -13.0229 -12.9140 -12.9140 -12.7924 -12.7924 -3.3059 -3.3059 -3.1997 -3.1997 -3.0250 -3.0250 -2.0465 -2.0465 -1.7266 -1.7266 -1.6496 -1.6496 -1.2562 -1.2562 -0.9181 -0.9181 -0.5320 -0.5320 -0.5200 -0.5200 -0.1517 -0.1517 0.3597 0.3597 8.0642 8.0642 8.4076 8.4076 8.4141 8.4141 9.0157 9.0157 k = 0.5000-0.1403 0.4093 ( 11246 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7486 -13.7486 -13.0229 -13.0229 -12.9140 -12.9140 -12.7924 -12.7924 -3.3059 -3.3059 -3.1997 -3.1997 -3.0250 -3.0250 -2.0465 -2.0465 -1.7266 -1.7266 -1.6496 -1.6496 -1.2562 -1.2562 -0.9181 -0.9181 -0.5320 -0.5320 -0.5200 -0.5200 -0.1517 -0.1517 0.3597 0.3597 8.0642 8.0642 8.4076 8.4076 8.4141 8.4141 9.0157 9.0157 k = 0.4919-0.1297 0.4228 ( 11252 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7482 -13.7482 -13.0235 -13.0235 -12.9139 -12.9139 -12.7925 -12.7925 -3.3147 -3.3147 -3.1911 -3.1911 -3.0235 -3.0235 -2.0543 -2.0543 -1.7353 -1.7353 -1.6412 -1.6412 -1.2476 -1.2476 -0.9173 -0.9173 -0.5359 -0.5359 -0.5166 -0.5166 -0.1518 -0.1518 0.3591 0.3591 8.0644 8.0644 8.4088 8.4088 8.4142 8.4142 9.0025 9.0025 k = 0.4839-0.1191 0.4363 ( 11258 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7469 -13.7469 -13.0250 -13.0250 -12.9135 -12.9135 -12.7926 -12.7926 -3.3353 -3.3353 -3.1720 -3.1720 -3.0184 -3.0184 -2.0758 -2.0758 -1.7593 -1.7593 -1.6179 -1.6179 -1.2236 -1.2236 -0.9149 -0.9149 -0.5435 -0.5435 -0.5106 -0.5106 -0.1523 -0.1523 0.3573 0.3573 8.0651 8.0651 8.4120 8.4120 8.4148 8.4148 8.9683 8.9683 k = 0.4758-0.1084 0.4498 ( 11254 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7448 -13.7448 -13.0276 -13.0276 -12.9130 -12.9130 -12.7929 -12.7929 -3.3602 -3.3602 -3.1517 -3.1517 -3.0079 -3.0079 -2.1073 -2.1073 -1.7948 -1.7948 -1.5836 -1.5836 -1.1884 -1.1884 -0.9107 -0.9107 -0.5526 -0.5526 -0.5043 -0.5043 -0.1530 -0.1530 0.3543 0.3543 8.0662 8.0662 8.4149 8.4149 8.4179 8.4179 8.9230 8.9230 k = 0.4677-0.0978 0.4633 ( 11256 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7419 -13.7419 -13.0312 -13.0312 -12.9123 -12.9123 -12.7932 -12.7932 -3.3861 -3.3861 -3.1359 -3.1359 -2.9895 -2.9895 -2.1449 -2.1449 -1.8379 -1.8379 -1.5421 -1.5421 -1.1461 -1.1461 -0.9044 -0.9044 -0.5631 -0.5631 -0.4977 -0.4977 -0.1539 -0.1539 0.3500 0.3500 8.0679 8.0679 8.4159 8.4159 8.4248 8.4248 8.8737 8.8737 k = 0.4597-0.0871 0.4768 ( 11262 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7381 -13.7381 -13.0359 -13.0359 -12.9113 -12.9113 -12.7936 -12.7936 -3.4115 -3.4115 -3.1271 -3.1271 -2.9624 -2.9624 -2.1861 -2.1861 -1.8856 -1.8856 -1.4962 -1.4962 -1.1004 -1.1004 -0.8953 -0.8953 -0.5748 -0.5748 -0.4909 -0.4909 -0.1550 -0.1550 0.3446 0.3446 8.0701 8.0701 8.4170 8.4170 8.4326 8.4326 8.8249 8.8249 k = 0.4516-0.0765 0.4903 ( 11264 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7336 -13.7336 -13.0415 -13.0415 -12.9102 -12.9102 -12.7942 -12.7942 -3.4358 -3.4358 -3.1246 -3.1246 -2.9275 -2.9275 -2.2291 -2.2291 -1.9360 -1.9360 -1.4476 -1.4476 -1.0545 -1.0545 -0.8822 -0.8822 -0.5879 -0.5879 -0.4837 -0.4837 -0.1563 -0.1563 0.3380 0.3380 8.0728 8.0728 8.4181 8.4182 8.4401 8.4401 8.7798 8.7798 k = 0.4435-0.0659 0.5038 ( 11268 PWs) bands (ev): -98.1746 -98.1746 -98.1736 -98.1736 -13.7282 -13.7282 -13.0481 -13.0481 -12.9089 -12.9089 -12.7948 -12.7948 -3.4587 -3.4587 -3.1269 -3.1269 -2.8871 -2.8871 -2.2727 -2.2727 -1.9879 -1.9879 -1.3978 -1.3978 -1.0118 -1.0118 -0.8632 -0.8632 -0.6023 -0.6023 -0.4762 -0.4762 -0.1577 -0.1577 0.3302 0.3302 8.0762 8.0762 8.4193 8.4193 8.4452 8.4452 8.7414 8.7414 k = 0.4355-0.0552 0.5173 ( 11260 PWs) bands (ev): -98.1746 -98.1746 -98.1736 -98.1736 -13.7220 -13.7220 -13.0556 -13.0556 -12.9073 -12.9073 -12.7955 -12.7955 -3.4800 -3.4800 -3.1326 -3.1326 -2.8426 -2.8426 -2.3162 -2.3162 -2.0402 -2.0402 -1.3475 -1.3475 -0.9756 -0.9756 -0.8360 -0.8360 -0.6181 -0.6181 -0.4681 -0.4681 -0.1590 -0.1590 0.3213 0.3213 8.0803 8.0803 8.4203 8.4203 8.4453 8.4453 8.7133 8.7133 k = 0.4274-0.0446 0.5308 ( 11256 PWs) bands (ev): -98.1746 -98.1746 -98.1736 -98.1736 -13.7150 -13.7150 -13.0641 -13.0641 -12.9056 -12.9056 -12.7963 -12.7963 -3.4995 -3.4995 -3.1407 -3.1407 -2.7951 -2.7951 -2.3590 -2.3590 -2.0925 -2.0925 -1.2975 -1.2975 -0.9472 -0.9472 -0.8004 -0.8004 -0.6348 -0.6348 -0.4594 -0.4594 -0.1603 -0.1603 0.3111 0.3111 8.0851 8.0851 8.4207 8.4207 8.4379 8.4379 8.6985 8.6985 k = 0.4194-0.0340 0.5443 ( 11260 PWs) bands (ev): -98.1746 -98.1746 -98.1736 -98.1736 -13.7073 -13.7073 -13.0735 -13.0735 -12.9037 -12.9037 -12.7973 -12.7973 -3.5173 -3.5173 -3.1508 -3.1508 -2.7453 -2.7453 -2.4007 -2.4007 -2.1442 -2.1442 -1.2484 -1.2484 -0.9253 -0.9253 -0.7596 -0.7596 -0.6512 -0.6512 -0.4501 -0.4501 -0.1614 -0.1614 0.2999 0.2999 8.0907 8.0907 8.4158 8.4158 8.4270 8.4270 8.6980 8.6980 k = 0.4113-0.0233 0.5578 ( 11254 PWs) bands (ev): -98.1746 -98.1746 -98.1737 -98.1737 -13.6988 -13.6988 -13.0837 -13.0837 -12.9017 -12.9017 -12.7983 -12.7983 -3.5333 -3.5333 -3.1624 -3.1624 -2.6939 -2.6939 -2.4408 -2.4408 -2.1950 -2.1950 -1.2009 -1.2009 -0.9072 -0.9072 -0.7237 -0.7237 -0.6601 -0.6601 -0.4401 -0.4401 -0.1622 -0.1622 0.2875 0.2875 8.0970 8.0970 8.3947 8.3947 8.4252 8.4252 8.7102 8.7102 k = 0.4032-0.0127 0.5713 ( 11256 PWs) bands (ev): -98.1746 -98.1746 -98.1737 -98.1737 -13.6895 -13.6895 -13.0948 -13.0948 -12.8994 -12.8994 -12.7995 -12.7995 -3.5474 -3.5474 -3.1754 -3.1754 -2.6417 -2.6417 -2.4787 -2.4787 -2.2447 -2.2447 -1.1554 -1.1554 -0.8908 -0.8908 -0.7189 -0.7189 -0.6379 -0.6379 -0.4295 -0.4295 -0.1625 -0.1625 0.2741 0.2741 8.1041 8.1041 8.3677 8.3677 8.4254 8.4254 8.7319 8.7319 k = 0.3952-0.0020 0.5848 ( 11256 PWs) bands (ev): -98.1746 -98.1746 -98.1737 -98.1737 -13.6795 -13.6795 -13.1067 -13.1067 -12.8971 -12.8971 -12.8007 -12.8007 -3.5597 -3.5597 -3.1895 -3.1895 -2.5916 -2.5916 -2.5115 -2.5115 -2.2929 -2.2929 -1.1125 -1.1125 -0.8752 -0.8752 -0.7368 -0.7368 -0.5940 -0.5940 -0.4181 -0.4181 -0.1622 -0.1622 0.2596 0.2596 8.1119 8.1119 8.3392 8.3392 8.4256 8.4256 8.7606 8.7606 k = 0.3871 0.0086 0.5983 ( 11244 PWs) bands (ev): -98.1745 -98.1745 -98.1737 -98.1737 -13.6688 -13.6688 -13.1193 -13.1193 -12.8946 -12.8946 -12.8021 -12.8021 -3.5702 -3.5702 -3.2045 -3.2045 -2.5708 -2.5708 -2.5120 -2.5120 -2.3393 -2.3393 -1.0725 -1.0725 -0.8602 -0.8602 -0.7604 -0.7604 -0.5464 -0.5464 -0.4060 -0.4060 -0.1612 -0.1612 0.2442 0.2442 8.1204 8.1204 8.3112 8.3112 8.4256 8.4256 8.7946 8.7946 k = 0.3790 0.0192 0.6118 ( 11242 PWs) bands (ev): -98.1745 -98.1745 -98.1737 -98.1737 -13.6574 -13.6574 -13.1326 -13.1326 -12.8919 -12.8919 -12.8036 -12.8036 -3.5788 -3.5788 -3.2204 -3.2204 -2.5954 -2.5954 -2.4654 -2.4654 -2.3828 -2.3828 -1.0359 -1.0359 -0.8470 -0.8470 -0.7845 -0.7845 -0.4988 -0.4988 -0.3930 -0.3930 -0.1592 -0.1592 0.2278 0.2278 8.1295 8.1295 8.2849 8.2849 8.4254 8.4254 8.8327 8.8327 k = 0.3710 0.0299 0.6253 ( 11246 PWs) bands (ev): -98.1745 -98.1745 -98.1737 -98.1737 -13.6454 -13.6454 -13.1466 -13.1466 -12.8892 -12.8892 -12.8052 -12.8052 -3.5857 -3.5857 -3.2370 -3.2370 -2.6252 -2.6252 -2.4375 -2.4375 -2.3977 -2.3977 -1.0029 -1.0029 -0.8441 -0.8441 -0.8002 -0.8002 -0.4528 -0.4528 -0.3790 -0.3790 -0.1561 -0.1561 0.2105 0.2105 8.1391 8.1391 8.2608 8.2608 8.4249 8.4249 8.8739 8.8739 k = 0.3629 0.0405 0.6388 ( 11242 PWs) bands (ev): -98.1745 -98.1745 -98.1738 -98.1738 -13.6327 -13.6327 -13.1613 -13.1613 -12.8863 -12.8863 -12.8069 -12.8069 -3.5908 -3.5908 -3.2543 -3.2543 -2.6541 -2.6541 -2.4731 -2.4731 -2.3450 -2.3450 -0.9736 -0.9736 -0.8638 -0.8638 -0.7949 -0.7949 -0.4093 -0.4093 -0.3635 -0.3635 -0.1518 -0.1518 0.1924 0.1924 8.1491 8.1491 8.2396 8.2396 8.4240 8.4240 8.9173 8.9173 k = 0.3548 0.0512 0.6523 ( 11242 PWs) bands (ev): -98.1745 -98.1745 -98.1738 -98.1738 -13.6194 -13.6194 -13.1765 -13.1765 -12.8834 -12.8834 -12.8087 -12.8087 -3.5941 -3.5941 -3.2720 -3.2720 -2.6812 -2.6812 -2.5118 -2.5118 -2.2862 -2.2862 -0.9488 -0.9488 -0.8932 -0.8932 -0.7810 -0.7810 -0.3713 -0.3713 -0.3441 -0.3441 -0.1462 -0.1462 0.1736 0.1736 8.1593 8.1593 8.2214 8.2214 8.4227 8.4227 8.9565 8.9565 k = 0.3468 0.0618 0.6658 ( 11236 PWs) bands (ev): -98.1744 -98.1744 -98.1738 -98.1738 -13.6055 -13.6055 -13.1923 -13.1923 -12.8803 -12.8803 -12.8106 -12.8106 -3.5957 -3.5957 -3.2902 -3.2902 -2.7062 -2.7062 -2.5490 -2.5490 -2.2261 -2.2261 -0.9412 -0.9412 -0.9123 -0.9123 -0.7659 -0.7659 -0.3446 -0.3446 -0.3152 -0.3152 -0.1392 -0.1392 0.1542 0.1542 8.1696 8.1696 8.2067 8.2067 8.4209 8.4209 8.9203 8.9203 k = 0.3387 0.0724 0.6793 ( 11236 PWs) bands (ev): -98.1744 -98.1744 -98.1738 -98.1738 -13.5911 -13.5911 -13.2085 -13.2085 -12.8772 -12.8772 -12.8126 -12.8126 -3.5957 -3.5957 -3.3086 -3.3086 -2.7289 -2.7289 -2.5841 -2.5841 -2.1654 -2.1654 -0.9723 -0.9723 -0.8974 -0.8974 -0.7517 -0.7517 -0.3254 -0.3254 -0.2807 -0.2807 -0.1311 -0.1311 0.1342 0.1342 8.1797 8.1797 8.1955 8.1955 8.4182 8.4182 8.8562 8.8562 k = 0.3306 0.0831 0.6928 ( 11250 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5761 -13.5761 -13.2252 -13.2252 -12.8741 -12.8741 -12.8148 -12.8148 -3.5941 -3.5941 -3.3272 -3.3272 -2.7492 -2.7492 -2.6171 -2.6171 -2.1042 -2.1042 -1.0111 -1.0111 -0.8789 -0.8789 -0.7392 -0.7392 -0.3078 -0.3078 -0.2470 -0.2470 -0.1218 -0.1218 0.1137 0.1137 8.1856 8.1856 8.1920 8.1920 8.4144 8.4144 8.7930 8.7930 k = 0.3226 0.0937 0.7063 ( 11248 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5607 -13.5607 -13.2422 -13.2422 -12.8709 -12.8709 -12.8170 -12.8170 -3.5909 -3.5909 -3.3460 -3.3460 -2.7672 -2.7672 -2.6478 -2.6478 -2.0429 -2.0429 -1.0526 -1.0526 -0.8612 -0.8612 -0.7291 -0.7291 -0.2901 -0.2901 -0.2156 -0.2156 -0.1118 -0.1118 0.0929 0.0929 8.1826 8.1826 8.2010 8.2010 8.4092 8.4092 8.7319 8.7319 k = 0.3145 0.1044 0.7198 ( 11248 PWs) bands (ev): -98.1743 -98.1743 -98.1739 -98.1739 -13.5447 -13.5447 -13.2597 -13.2597 -12.8676 -12.8676 -12.8194 -12.8194 -3.5862 -3.5862 -3.3647 -3.3647 -2.7826 -2.7826 -2.6762 -2.6762 -1.9814 -1.9814 -1.0962 -1.0962 -0.8446 -0.8446 -0.7214 -0.7214 -0.2722 -0.2722 -0.1871 -0.1871 -0.1014 -0.1014 0.0718 0.0718 8.1823 8.1823 8.2108 8.2108 8.4024 8.4024 8.6733 8.6733 k = 0.3065 0.1150 0.7333 ( 11250 PWs) bands (ev): -98.1743 -98.1743 -98.1739 -98.1739 -13.5284 -13.5284 -13.2774 -13.2774 -12.8643 -12.8643 -12.8219 -12.8219 -3.5800 -3.5800 -3.3833 -3.3833 -2.7955 -2.7955 -2.7021 -2.7021 -1.9201 -1.9201 -1.1417 -1.1417 -0.8288 -0.8288 -0.7164 -0.7164 -0.2538 -0.2538 -0.1617 -0.1617 -0.0911 -0.0911 0.0506 0.0506 8.1856 8.1856 8.2208 8.2208 8.3939 8.3939 8.6174 8.6174 k = 0.2984 0.1256 0.7468 ( 11252 PWs) bands (ev): -98.1743 -98.1743 -98.1740 -98.1740 -13.5116 -13.5116 -13.2953 -13.2953 -12.8611 -12.8611 -12.8244 -12.8244 -3.5725 -3.5725 -3.4017 -3.4017 -2.8058 -2.8058 -2.7256 -2.7256 -1.8590 -1.8590 -1.1889 -1.1889 -0.8139 -0.8139 -0.7139 -0.7139 -0.2350 -0.2350 -0.1394 -0.1394 -0.0813 -0.0813 0.0295 0.0295 8.1927 8.1927 8.2310 8.2310 8.3836 8.3836 8.5644 8.5644 k = 0.2903 0.1363 0.7603 ( 11254 PWs) bands (ev): -98.1743 -98.1743 -98.1740 -98.1740 -13.4945 -13.4945 -13.3134 -13.3134 -12.8578 -12.8578 -12.8271 -12.8271 -3.5637 -3.5637 -3.4198 -3.4198 -2.8136 -2.8136 -2.7466 -2.7466 -1.7982 -1.7982 -1.2378 -1.2378 -0.7997 -0.7997 -0.7137 -0.7137 -0.2158 -0.2158 -0.1205 -0.1205 -0.0726 -0.0726 0.0089 0.0089 8.2036 8.2036 8.2414 8.2414 8.3717 8.3717 8.5144 8.5144 k = 0.2823 0.1469 0.7738 ( 11254 PWs) bands (ev): -98.1742 -98.1742 -98.1740 -98.1740 -13.4771 -13.4771 -13.3317 -13.3317 -12.8545 -12.8545 -12.8299 -12.8299 -3.5536 -3.5536 -3.4375 -3.4375 -2.8187 -2.8187 -2.7650 -2.7650 -1.7379 -1.7379 -1.2883 -1.2883 -0.7863 -0.7863 -0.7157 -0.7157 -0.1963 -0.1963 -0.1056 -0.1056 -0.0655 -0.0655 -0.0108 -0.0108 8.2182 8.2182 8.2523 8.2523 8.3586 8.3586 8.4676 8.4676 k = 0.2742 0.1576 0.7873 ( 11252 PWs) bands (ev): -98.1742 -98.1742 -98.1740 -98.1740 -13.4595 -13.4595 -13.3501 -13.3501 -12.8512 -12.8512 -12.8327 -12.8327 -3.5423 -3.5423 -3.4547 -3.4547 -2.8212 -2.8212 -2.7809 -2.7809 -1.6783 -1.6783 -1.3403 -1.3403 -0.7737 -0.7737 -0.7197 -0.7197 -0.1765 -0.1765 -0.0959 -0.0959 -0.0603 -0.0603 -0.0281 -0.0281 8.2366 8.2366 8.2638 8.2638 8.3447 8.3447 8.4241 8.4241 k = 0.2661 0.1682 0.8008 ( 11266 PWs) bands (ev): -98.1742 -98.1742 -98.1741 -98.1741 -13.4415 -13.4415 -13.3685 -13.3685 -12.8480 -12.8480 -12.8356 -12.8356 -3.5300 -3.5300 -3.4713 -3.4713 -2.8211 -2.8211 -2.7942 -2.7942 -1.6194 -1.6194 -1.3937 -1.3937 -0.7620 -0.7620 -0.7254 -0.7254 -0.1568 -0.1568 -0.0942 -0.0942 -0.0567 -0.0567 -0.0404 -0.0404 8.2587 8.2587 8.2760 8.2760 8.3304 8.3304 8.3840 8.3840 k = 0.2581 0.1788 0.8143 ( 11270 PWs) bands (ev): -98.1742 -98.1742 -98.1741 -98.1741 -13.4234 -13.4234 -13.3869 -13.3869 -12.8448 -12.8448 -12.8386 -12.8386 -3.5166 -3.5166 -3.4872 -3.4872 -2.8184 -2.8184 -2.8049 -2.8049 -1.5614 -1.5614 -1.4484 -1.4484 -0.7511 -0.7511 -0.7327 -0.7327 -0.1372 -0.1372 -0.1030 -0.1030 -0.0535 -0.0535 -0.0467 -0.0467 8.2843 8.2843 8.2890 8.2890 8.3161 8.3161 8.3473 8.3473 k = 0.2500 0.1895 0.8278 ( 11264 PWs) bands (ev): -98.1741 -98.1741 -98.1741 -98.1741 -13.4052 -13.4052 -13.4052 -13.4052 -12.8417 -12.8417 -12.8417 -12.8417 -3.5023 -3.5023 -3.5023 -3.5023 -2.8129 -2.8129 -2.8129 -2.8129 -1.5044 -1.5044 -1.5044 -1.5044 -0.7413 -0.7413 -0.7413 -0.7413 -0.1187 -0.1187 -0.1187 -0.1187 -0.0502 -0.0502 -0.0502 -0.0502 8.3020 8.3020 8.3020 8.3020 8.3143 8.3143 8.3143 8.3143 k = 0.1436-0.1895 0.8278 ( 11274 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5411 -13.5411 -13.2677 -13.2677 -12.8587 -12.8587 -12.8301 -12.8301 -3.5147 -3.5147 -3.3815 -3.3815 -2.6867 -2.6867 -2.5482 -2.5482 -2.0709 -2.0709 -1.1259 -1.1259 -0.9273 -0.9273 -0.8241 -0.8241 -0.3433 -0.3433 -0.2116 -0.2116 -0.0681 -0.0681 0.1223 0.1223 7.9344 7.9344 8.1186 8.1186 8.5032 8.5032 8.8613 8.8613 k = 0.1518-0.2002 0.8142 ( 11268 PWs) bands (ev): -98.1744 -98.1744 -98.1739 -98.1739 -13.5564 -13.5564 -13.2493 -13.2493 -12.8595 -12.8595 -12.8324 -12.8324 -3.5111 -3.5111 -3.3631 -3.3631 -2.6862 -2.6862 -2.5237 -2.5237 -2.1055 -2.1055 -1.1136 -1.1136 -0.9189 -0.9189 -0.8276 -0.8276 -0.3759 -0.3759 -0.2301 -0.2301 -0.0720 -0.0720 0.1314 0.1314 7.9513 7.9513 8.1087 8.1087 8.4648 8.4648 8.8395 8.8395 k = 0.1599-0.2110 0.8006 ( 11274 PWs) bands (ev): -98.1744 -98.1744 -98.1738 -98.1738 -13.5711 -13.5711 -13.2313 -13.2313 -12.8603 -12.8603 -12.8347 -12.8347 -3.5068 -3.5068 -3.3447 -3.3447 -2.6869 -2.6869 -2.4971 -2.4971 -2.1364 -2.1364 -1.1101 -1.1101 -0.9041 -0.9041 -0.8308 -0.8308 -0.4105 -0.4105 -0.2528 -0.2528 -0.0764 -0.0764 0.1424 0.1424 7.9710 7.9710 8.0945 8.0945 8.4293 8.4293 8.8119 8.8119 k = 0.1680-0.2217 0.7869 ( 11273 PWs) bands (ev): -98.1744 -98.1744 -98.1738 -98.1738 -13.5854 -13.5854 -13.2139 -13.2139 -12.8610 -12.8610 -12.8370 -12.8370 -3.5018 -3.5018 -3.3263 -3.3263 -2.6896 -2.6896 -2.4684 -2.4684 -2.1627 -2.1627 -1.1133 -1.1133 -0.8862 -0.8862 -0.8327 -0.8327 -0.4469 -0.4469 -0.2789 -0.2789 -0.0812 -0.0812 0.1549 0.1549 7.9934 7.9934 8.0750 8.0750 8.3968 8.3968 8.7903 8.7903 k = 0.1762-0.2324 0.7733 ( 11267 PWs) bands (ev): -98.1745 -98.1745 -98.1738 -98.1738 -13.5991 -13.5991 -13.1970 -13.1970 -12.8617 -12.8617 -12.8392 -12.8392 -3.4960 -3.4960 -3.3081 -3.3081 -2.6952 -2.6952 -2.4376 -2.4376 -2.1833 -2.1833 -1.1208 -1.1208 -0.8717 -0.8717 -0.8297 -0.8297 -0.4852 -0.4852 -0.3078 -0.3078 -0.0862 -0.0862 0.1685 0.1685 8.0180 8.0180 8.0497 8.0497 8.3672 8.3672 8.7787 8.7787 k = 0.1843-0.2432 0.7597 ( 11271 PWs) bands (ev): -98.1745 -98.1745 -98.1738 -98.1738 -13.6122 -13.6122 -13.1808 -13.1808 -12.8623 -12.8623 -12.8414 -12.8414 -3.4895 -3.4895 -3.2902 -3.2902 -2.7044 -2.7044 -2.4047 -2.4047 -2.1974 -2.1974 -1.1308 -1.1308 -0.8678 -0.8678 -0.8167 -0.8167 -0.5249 -0.5249 -0.3387 -0.3387 -0.0914 -0.0914 0.1830 0.1830 8.0181 8.0181 8.0454 8.0454 8.3404 8.3404 8.7783 8.7783 k = 0.1924-0.2539 0.7461 ( 11267 PWs) bands (ev): -98.1745 -98.1745 -98.1737 -98.1737 -13.6248 -13.6248 -13.1652 -13.1652 -12.8629 -12.8629 -12.8435 -12.8435 -3.4822 -3.4822 -3.2726 -3.2726 -2.7178 -2.7178 -2.3700 -2.3700 -2.2046 -2.2046 -1.1421 -1.1421 -0.8727 -0.8727 -0.7976 -0.7976 -0.5655 -0.5655 -0.3707 -0.3707 -0.0966 -0.0966 0.1978 0.1978 7.9822 7.9822 8.0741 8.0741 8.3164 8.3164 8.7888 8.7888 k = 0.2006-0.2646 0.7325 ( 11258 PWs) bands (ev): -98.1745 -98.1745 -98.1737 -98.1737 -13.6367 -13.6367 -13.1503 -13.1503 -12.8634 -12.8634 -12.8455 -12.8455 -3.4741 -3.4741 -3.2557 -3.2557 -2.7353 -2.7353 -2.3333 -2.3333 -2.2045 -2.2045 -1.1540 -1.1540 -0.8823 -0.8823 -0.7788 -0.7788 -0.6057 -0.6057 -0.4029 -0.4029 -0.1018 -0.1018 0.2128 0.2128 7.9425 7.9425 8.1046 8.1046 8.2952 8.2952 8.8093 8.8093 k = 0.2087-0.2754 0.7189 ( 11258 PWs) bands (ev): -98.1745 -98.1745 -98.1737 -98.1737 -13.6479 -13.6479 -13.1363 -13.1363 -12.8638 -12.8638 -12.8475 -12.8475 -3.4652 -3.4652 -3.2393 -3.2393 -2.7568 -2.7568 -2.2949 -2.2949 -2.1975 -2.1975 -1.1661 -1.1661 -0.8954 -0.8954 -0.7658 -0.7658 -0.6422 -0.6422 -0.4342 -0.4342 -0.1068 -0.1068 0.2277 0.2277 7.9005 7.9005 8.1364 8.1364 8.2767 8.2767 8.8388 8.8388 k = 0.2168-0.2861 0.7052 ( 11254 PWs) bands (ev): -98.1746 -98.1746 -98.1737 -98.1737 -13.6585 -13.6585 -13.1231 -13.1231 -12.8641 -12.8641 -12.8493 -12.8493 -3.4555 -3.4555 -3.2237 -3.2237 -2.7816 -2.7816 -2.2548 -2.2548 -2.1842 -2.1842 -1.1781 -1.1781 -0.9120 -0.9120 -0.7681 -0.7681 -0.6660 -0.6660 -0.4639 -0.4639 -0.1117 -0.1117 0.2423 0.2423 7.8576 7.8576 8.1692 8.1692 8.2610 8.2610 8.8759 8.8759 k = 0.2250-0.2968 0.6916 ( 11242 PWs) bands (ev): -98.1746 -98.1746 -98.1737 -98.1737 -13.6684 -13.6684 -13.1107 -13.1107 -12.8643 -12.8643 -12.8511 -12.8511 -3.4450 -3.4450 -3.2088 -3.2088 -2.8090 -2.8090 -2.2134 -2.2134 -2.1652 -2.1652 -1.1900 -1.1900 -0.9322 -0.9322 -0.7936 -0.7936 -0.6694 -0.6694 -0.4908 -0.4908 -0.1163 -0.1163 0.2563 0.2563 7.8149 7.8149 8.2015 8.2015 8.2493 8.2493 8.9196 8.9196 k = 0.2331-0.3076 0.6780 ( 11232 PWs) bands (ev): -98.1746 -98.1746 -98.1736 -98.1736 -13.6776 -13.6776 -13.0993 -13.0993 -12.8644 -12.8644 -12.8528 -12.8528 -3.4337 -3.4337 -3.1949 -3.1949 -2.8382 -2.8382 -2.1711 -2.1711 -2.1410 -2.1410 -1.2014 -1.2014 -0.9563 -0.9563 -0.8341 -0.8341 -0.6610 -0.6610 -0.5141 -0.5141 -0.1207 -0.1207 0.2698 0.2698 7.7732 7.7732 8.2220 8.2220 8.2523 8.2523 8.9690 8.9690 k = 0.2412-0.3183 0.6644 ( 11230 PWs) bands (ev): -98.1746 -98.1746 -98.1736 -98.1736 -13.6860 -13.6860 -13.0888 -13.0888 -12.8644 -12.8644 -12.8543 -12.8543 -3.4215 -3.4215 -3.1820 -3.1820 -2.8686 -2.8686 -2.1295 -2.1295 -2.1111 -2.1111 -1.2126 -1.2126 -0.9841 -0.9841 -0.8805 -0.8805 -0.6501 -0.6501 -0.5330 -0.5330 -0.1248 -0.1248 0.2825 0.2825 7.7335 7.7335 8.2187 8.2187 8.2820 8.2820 9.0234 9.0234 k = 0.2494-0.3290 0.6508 ( 11234 PWs) bands (ev): -98.1746 -98.1746 -98.1736 -98.1736 -13.6937 -13.6937 -13.0793 -13.0793 -12.8643 -12.8643 -12.8557 -12.8557 -3.4085 -3.4085 -3.1700 -3.1700 -2.8995 -2.8995 -2.0922 -2.0922 -2.0731 -2.0731 -1.2235 -1.2235 -1.0151 -1.0151 -0.9293 -0.9293 -0.6406 -0.6406 -0.5466 -0.5466 -0.1285 -0.1285 0.2943 0.2943 7.6961 7.6961 8.2116 8.2116 8.3178 8.3178 9.0819 9.0819 k = 0.2575-0.3398 0.6372 ( 11233 PWs) bands (ev): -98.1746 -98.1746 -98.1736 -98.1736 -13.7006 -13.7006 -13.0708 -13.0708 -12.8642 -12.8642 -12.8570 -12.8570 -3.3947 -3.3947 -3.1592 -3.1592 -2.9303 -2.9303 -2.0579 -2.0579 -2.0292 -2.0292 -1.2344 -1.2344 -1.0486 -1.0486 -0.9788 -0.9788 -0.6343 -0.6343 -0.5544 -0.5544 -0.1320 -0.1320 0.3051 0.3051 7.6618 7.6618 8.2052 8.2052 8.3550 8.3550 9.1440 9.1440 k = 0.2657-0.3505 0.6235 ( 11239 PWs) bands (ev): -98.1746 -98.1746 -98.1736 -98.1736 -13.7068 -13.7068 -13.0632 -13.0632 -12.8640 -12.8640 -12.8582 -12.8582 -3.3803 -3.3803 -3.1495 -3.1495 -2.9606 -2.9606 -2.0239 -2.0239 -1.9835 -1.9835 -1.2457 -1.2457 -1.0833 -1.0833 -1.0279 -1.0279 -0.6320 -0.6320 -0.5564 -0.5564 -0.1351 -0.1351 0.3149 0.3149 7.6307 7.6307 8.2000 8.2000 8.3929 8.3929 9.1566 9.1566 k = 0.2738-0.3612 0.6099 ( 11233 PWs) bands (ev): -98.1746 -98.1746 -98.1736 -98.1736 -13.7121 -13.7121 -13.0567 -13.0567 -12.8638 -12.8638 -12.8592 -12.8592 -3.3655 -3.3655 -3.1411 -3.1411 -2.9898 -2.9898 -1.9900 -1.9900 -1.9376 -1.9376 -1.2579 -1.2579 -1.1178 -1.1178 -1.0752 -1.0752 -0.6328 -0.6328 -0.5542 -0.5542 -0.1378 -0.1378 0.3235 0.3235 7.6032 7.6032 8.1957 8.1957 8.4310 8.4310 9.1081 9.1081 k = 0.2819-0.3720 0.5963 ( 11243 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7166 -13.7166 -13.0513 -13.0513 -12.8635 -12.8635 -12.8600 -12.8600 -3.3504 -3.3504 -3.1339 -3.1339 -3.0173 -3.0173 -1.9570 -1.9570 -1.8927 -1.8927 -1.2722 -1.2722 -1.1506 -1.1506 -1.1189 -1.1189 -0.6350 -0.6350 -0.5499 -0.5499 -0.1401 -0.1401 0.3309 0.3309 7.5796 7.5796 8.1924 8.1924 8.4689 8.4689 9.0590 9.0590 k = 0.2901-0.3827 0.5827 ( 11247 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7204 -13.7204 -13.0468 -13.0468 -12.8633 -12.8633 -12.8608 -12.8608 -3.3357 -3.3357 -3.1279 -3.1279 -3.0426 -3.0426 -1.9263 -1.9263 -1.8501 -1.8501 -1.2895 -1.2895 -1.1811 -1.1811 -1.1556 -1.1556 -0.6375 -0.6375 -0.5451 -0.5451 -0.1421 -0.1421 0.3370 0.3370 7.5600 7.5600 8.1900 8.1900 8.5059 8.5059 9.0117 9.0117 k = 0.2982-0.3934 0.5691 ( 11245 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7233 -13.7233 -13.0433 -13.0433 -12.8630 -12.8630 -12.8613 -12.8613 -3.3220 -3.3220 -3.1232 -3.1232 -3.0646 -3.0646 -1.8993 -1.8993 -1.8115 -1.8115 -1.3095 -1.3095 -1.2100 -1.2100 -1.1813 -1.1813 -0.6398 -0.6398 -0.5408 -0.5408 -0.1436 -0.1436 0.3418 0.3418 7.5447 7.5447 8.1882 8.1882 8.5405 8.5405 8.9682 8.9682 k = 0.3063-0.4042 0.5554 ( 11249 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7253 -13.7253 -13.0408 -13.0408 -12.8629 -12.8629 -12.8617 -12.8617 -3.3104 -3.3104 -3.1199 -3.1199 -3.0822 -3.0822 -1.8779 -1.8779 -1.7797 -1.7797 -1.3296 -1.3296 -1.2346 -1.2346 -1.1964 -1.1964 -0.6415 -0.6415 -0.5374 -0.5374 -0.1447 -0.1447 0.3453 0.3453 7.5336 7.5336 8.1870 8.1870 8.5705 8.5705 8.9316 8.9316 k = 0.3145-0.4149 0.5418 ( 11251 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7266 -13.7266 -13.0394 -13.0394 -12.8628 -12.8628 -12.8620 -12.8620 -3.3025 -3.3025 -3.1178 -3.1178 -3.0938 -3.0938 -1.8641 -1.8641 -1.7582 -1.7582 -1.3448 -1.3448 -1.2510 -1.2510 -1.2041 -1.2041 -0.6425 -0.6425 -0.5353 -0.5353 -0.1453 -0.1453 0.3474 0.3474 7.5270 7.5270 8.1863 8.1863 8.5919 8.5919 8.9061 8.9061 k = 0.3226-0.4256 0.5282 ( 11256 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7270 -13.7270 -13.0389 -13.0389 -12.8627 -12.8627 -12.8620 -12.8620 -3.2996 -3.2996 -3.1172 -3.1172 -3.0979 -3.0979 -1.8593 -1.8593 -1.7505 -1.7505 -1.3506 -1.3506 -1.2567 -1.2567 -1.2065 -1.2065 -0.6428 -0.6428 -0.5346 -0.5346 -0.1456 -0.1456 0.3481 0.3481 7.5248 7.5248 8.1861 8.1861 8.5999 8.5999 8.8967 8.8967 k = 0.6774 0.1449 0.2905 ( 11256 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7270 -13.7270 -13.0389 -13.0389 -12.8627 -12.8627 -12.8620 -12.8620 -3.2996 -3.2996 -3.1172 -3.1172 -3.0979 -3.0979 -1.8593 -1.8593 -1.7505 -1.7505 -1.3506 -1.3506 -1.2567 -1.2567 -1.2065 -1.2065 -0.6428 -0.6428 -0.5346 -0.5346 -0.1456 -0.1456 0.3481 0.3481 7.5248 7.5248 8.1861 8.1861 8.5999 8.5999 8.8967 8.8967 k = 0.6693 0.1556 0.2773 ( 11246 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7269 -13.7269 -13.0391 -13.0391 -12.8679 -12.8679 -12.8577 -12.8577 -3.3117 -3.3117 -3.1161 -3.1161 -3.0834 -3.0834 -1.8456 -1.8456 -1.7442 -1.7442 -1.3355 -1.3355 -1.2446 -1.2446 -1.2138 -1.2138 -0.6670 -0.6670 -0.5392 -0.5392 -0.1411 -0.1411 0.3396 0.3396 7.4913 7.4913 8.1523 8.1523 8.5610 8.5610 8.8417 8.8417 k = 0.6613 0.1662 0.2641 ( 11242 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7272 -13.7272 -13.0393 -13.0393 -12.8729 -12.8729 -12.8530 -12.8530 -3.3237 -3.3237 -3.1162 -3.1162 -3.0682 -3.0682 -1.8318 -1.8318 -1.7384 -1.7384 -1.3205 -1.3205 -1.2388 -1.2388 -1.2119 -1.2119 -0.6920 -0.6920 -0.5421 -0.5421 -0.1383 -0.1383 0.3302 0.3302 7.4587 7.4587 8.1184 8.1184 8.5229 8.5229 8.7799 8.7799 k = 0.6532 0.1768 0.2508 ( 11242 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7278 -13.7278 -13.0394 -13.0394 -12.8780 -12.8780 -12.8479 -12.8479 -3.3357 -3.3357 -3.1172 -3.1172 -3.0525 -3.0525 -1.8177 -1.8177 -1.7332 -1.7332 -1.3057 -1.3057 -1.2396 -1.2396 -1.2007 -1.2007 -0.7174 -0.7174 -0.5437 -0.5437 -0.1370 -0.1370 0.3200 0.3200 7.4271 7.4271 8.0847 8.0847 8.4858 8.4858 8.7138 8.7138 k = 0.6451 0.1875 0.2376 ( 11244 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7287 -13.7287 -13.0395 -13.0395 -12.8829 -12.8829 -12.8427 -12.8427 -3.3474 -3.3474 -3.1192 -3.1192 -3.0362 -3.0362 -1.8037 -1.8037 -1.7285 -1.7285 -1.2911 -1.2911 -1.2410 -1.2410 -1.1864 -1.1864 -0.7428 -0.7428 -0.5444 -0.5444 -0.1371 -0.1371 0.3091 0.3091 7.3967 7.3967 8.0515 8.0515 8.4497 8.4497 8.6456 8.6456 k = 0.6371 0.1981 0.2244 ( 11232 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7299 -13.7299 -13.0395 -13.0395 -12.8877 -12.8877 -12.8372 -12.8372 -3.3589 -3.3589 -3.1221 -3.1221 -3.0195 -3.0195 -1.7897 -1.7897 -1.7244 -1.7244 -1.2769 -1.2769 -1.2409 -1.2409 -1.1713 -1.1713 -0.7680 -0.7680 -0.5444 -0.5444 -0.1386 -0.1386 0.2975 0.2975 7.3678 7.3678 8.0192 8.0192 8.4147 8.4147 8.5766 8.5766 k = 0.6290 0.2088 0.2112 ( 11234 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7313 -13.7313 -13.0394 -13.0394 -12.8924 -12.8924 -12.8317 -12.8317 -3.3701 -3.3701 -3.1257 -3.1257 -3.0026 -3.0026 -1.7758 -1.7758 -1.7207 -1.7207 -1.2633 -1.2633 -1.2389 -1.2389 -1.1560 -1.1560 -0.7926 -0.7926 -0.5437 -0.5437 -0.1414 -0.1414 0.2855 0.2855 7.3404 7.3404 7.9879 7.9879 8.3810 8.3810 8.5080 8.5080 k = 0.6210 0.2194 0.1980 ( 11236 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7328 -13.7328 -13.0393 -13.0393 -12.8970 -12.8970 -12.8261 -12.8261 -3.3810 -3.3810 -3.1299 -3.1299 -2.9855 -2.9855 -1.7623 -1.7623 -1.7176 -1.7176 -1.2505 -1.2505 -1.2347 -1.2347 -1.1410 -1.1410 -0.8164 -0.8164 -0.5426 -0.5426 -0.1453 -0.1453 0.2732 0.2732 7.3147 7.3147 7.9579 7.9579 8.3487 8.3487 8.4408 8.4408 k = 0.6129 0.2300 0.1848 ( 11234 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7345 -13.7345 -13.0391 -13.0391 -12.9014 -12.9014 -12.8205 -12.8205 -3.3913 -3.3913 -3.1347 -3.1347 -2.9685 -2.9685 -1.7491 -1.7491 -1.7148 -1.7148 -1.2394 -1.2394 -1.2278 -1.2278 -1.1265 -1.1265 -0.8393 -0.8393 -0.5410 -0.5410 -0.1502 -0.1502 0.2606 0.2606 7.2907 7.2907 7.9294 7.9294 8.3179 8.3179 8.3755 8.3755 k = 0.6048 0.2407 0.1716 ( 11228 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7362 -13.7362 -13.0389 -13.0389 -12.9056 -12.9056 -12.8150 -12.8150 -3.4012 -3.4012 -3.1398 -3.1398 -2.9515 -2.9515 -1.7364 -1.7364 -1.7125 -1.7125 -1.2303 -1.2303 -1.2181 -1.2181 -1.1127 -1.1127 -0.8608 -0.8608 -0.5392 -0.5392 -0.1560 -0.1560 0.2479 0.2479 7.2686 7.2686 7.9026 7.9026 8.2884 8.2884 8.3129 8.3129 k = 0.5968 0.2513 0.1584 ( 11232 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7380 -13.7380 -13.0387 -13.0387 -12.9097 -12.9097 -12.8097 -12.8097 -3.4106 -3.4106 -3.1452 -3.1452 -2.9349 -2.9349 -1.7242 -1.7242 -1.7105 -1.7105 -1.2220 -1.2220 -1.2070 -1.2070 -1.1001 -1.1001 -0.8807 -0.8807 -0.5372 -0.5372 -0.1625 -0.1625 0.2353 0.2353 7.2483 7.2483 7.8776 7.8776 8.2515 8.2515 8.2623 8.2623 k = 0.5887 0.2620 0.1452 ( 11236 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7398 -13.7398 -13.0384 -13.0384 -12.9135 -12.9135 -12.8045 -12.8045 -3.4193 -3.4193 -3.1507 -3.1507 -2.9188 -2.9188 -1.7127 -1.7127 -1.7088 -1.7088 -1.2138 -1.2138 -1.1958 -1.1958 -1.0890 -1.0890 -0.8985 -0.8985 -0.5351 -0.5351 -0.1696 -0.1696 0.2229 0.2229 7.2299 7.2299 7.8546 7.8546 8.1956 8.1956 8.2359 8.2359 k = 0.5806 0.2726 0.1320 ( 11236 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7416 -13.7416 -13.0381 -13.0381 -12.9171 -12.9171 -12.7996 -12.7996 -3.4275 -3.4275 -3.1562 -3.1562 -2.9032 -2.9032 -1.7075 -1.7075 -1.7018 -1.7018 -1.2054 -1.2054 -1.1848 -1.1848 -1.0798 -1.0798 -0.9138 -0.9138 -0.5329 -0.5329 -0.1770 -0.1770 0.2109 0.2109 7.2133 7.2133 7.8338 7.8338 8.1426 8.1426 8.2119 8.2119 k = 0.5726 0.2832 0.1188 ( 11236 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7433 -13.7433 -13.0377 -13.0377 -12.9204 -12.9204 -12.7950 -12.7950 -3.4349 -3.4349 -3.1616 -3.1616 -2.8885 -2.8885 -1.7064 -1.7064 -1.6918 -1.6918 -1.1973 -1.1973 -1.1742 -1.1742 -1.0732 -1.0732 -0.9260 -0.9260 -0.5307 -0.5307 -0.1846 -0.1846 0.1994 0.1994 7.1985 7.1985 7.8152 7.8152 8.0933 8.0933 8.1900 8.1900 k = 0.5645 0.2939 0.1056 ( 11236 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7449 -13.7449 -13.0374 -13.0374 -12.9235 -12.9235 -12.7908 -12.7908 -3.4417 -3.4417 -3.1668 -3.1668 -2.8747 -2.8747 -1.7055 -1.7055 -1.6826 -1.6826 -1.1895 -1.1895 -1.1641 -1.1641 -1.0694 -1.0694 -0.9347 -0.9347 -0.5286 -0.5286 -0.1921 -0.1921 0.1886 0.1886 7.1856 7.1856 7.7990 7.7990 8.0479 8.0479 8.1702 8.1702 k = 0.5564 0.3045 0.0924 ( 11230 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7464 -13.7464 -13.0370 -13.0370 -12.9263 -12.9263 -12.7869 -12.7869 -3.4478 -3.4478 -3.1716 -3.1716 -2.8621 -2.8621 -1.7048 -1.7048 -1.6744 -1.6744 -1.1824 -1.1824 -1.1545 -1.1545 -1.0685 -1.0685 -0.9399 -0.9399 -0.5267 -0.5267 -0.1995 -0.1995 0.1787 0.1787 7.1743 7.1743 7.7852 7.7852 8.0068 8.0068 8.1526 8.1526 k = 0.5484 0.3151 0.0792 ( 11234 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7477 -13.7477 -13.0367 -13.0367 -12.9287 -12.9287 -12.7835 -12.7835 -3.4531 -3.4531 -3.1759 -3.1759 -2.8508 -2.8508 -1.7042 -1.7042 -1.6671 -1.6671 -1.1761 -1.1761 -1.1455 -1.1455 -1.0700 -1.0700 -0.9420 -0.9420 -0.5249 -0.5249 -0.2063 -0.2063 0.1697 0.1697 7.1648 7.1648 7.7739 7.7739 7.9701 7.9701 8.1371 8.1371 k = 0.5403 0.3258 0.0660 ( 11226 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7489 -13.7489 -13.0364 -13.0364 -12.9309 -12.9309 -12.7806 -12.7806 -3.4576 -3.4576 -3.1798 -3.1798 -2.8409 -2.8409 -1.7038 -1.7038 -1.6609 -1.6609 -1.1710 -1.1710 -1.1372 -1.1372 -1.0732 -1.0732 -0.9419 -0.9419 -0.5234 -0.5234 -0.2126 -0.2126 0.1618 0.1618 7.1569 7.1569 7.7651 7.7651 7.9380 7.9380 8.1239 8.1239 k = 0.5323 0.3364 0.0528 ( 11234 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7498 -13.7498 -13.0361 -13.0361 -12.9326 -12.9326 -12.7781 -12.7781 -3.4613 -3.4613 -3.1830 -3.1830 -2.8326 -2.8326 -1.7034 -1.7034 -1.6557 -1.6557 -1.1668 -1.1668 -1.1299 -1.1299 -1.0771 -1.0771 -0.9405 -0.9405 -0.5221 -0.5221 -0.2180 -0.2180 0.1551 0.1551 7.1505 7.1505 7.7586 7.7586 7.9108 7.9108 8.1131 8.1131 k = 0.5242 0.3471 0.0396 ( 11228 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7506 -13.7506 -13.0358 -13.0358 -12.9340 -12.9340 -12.7762 -12.7762 -3.4642 -3.4642 -3.1856 -3.1856 -2.8260 -2.8260 -1.7032 -1.7032 -1.6517 -1.6517 -1.1638 -1.1638 -1.1236 -1.1236 -1.0811 -1.0811 -0.9387 -0.9387 -0.5210 -0.5210 -0.2224 -0.2224 0.1498 0.1498 7.1456 7.1456 7.7542 7.7542 7.8888 7.8888 8.1046 8.1046 k = 0.5161 0.3577 0.0264 ( 11222 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7512 -13.7512 -13.0357 -13.0357 -12.9350 -12.9350 -12.7748 -12.7748 -3.4663 -3.4663 -3.1875 -3.1875 -2.8212 -2.8212 -1.7031 -1.7031 -1.6488 -1.6488 -1.1618 -1.1618 -1.1187 -1.1187 -1.0844 -1.0844 -0.9371 -0.9371 -0.5203 -0.5203 -0.2256 -0.2256 0.1460 0.1460 7.1421 7.1421 7.7516 7.7516 7.8724 7.8724 8.0985 8.0985 k = 0.5081 0.3683 0.0132 ( 11220 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7515 -13.7515 -13.0356 -13.0356 -12.9356 -12.9356 -12.7740 -12.7740 -3.4675 -3.4675 -3.1886 -3.1886 -2.8183 -2.8183 -1.7030 -1.7030 -1.6470 -1.6470 -1.1606 -1.1606 -1.1154 -1.1154 -1.0868 -1.0868 -0.9359 -0.9359 -0.5199 -0.5199 -0.2276 -0.2276 0.1437 0.1437 7.1401 7.1401 7.7504 7.7504 7.8623 7.8623 8.0948 8.0948 k = 0.5000 0.3790-0.0000 ( 11218 PWs) bands (ev): -98.1747 -98.1747 -98.1736 -98.1736 -13.7516 -13.7516 -13.0355 -13.0355 -12.9358 -12.9358 -12.7737 -12.7737 -3.4680 -3.4680 -3.1890 -3.1890 -2.8173 -2.8173 -1.7029 -1.7029 -1.6464 -1.6464 -1.1602 -1.1602 -1.1142 -1.1142 -1.0876 -1.0876 -0.9355 -0.9355 -0.5197 -0.5197 -0.2283 -0.2283 0.1429 0.1429 7.1394 7.1394 7.7500 7.7500 7.8588 7.8588 8.0936 8.0936 Writing output data file BeCl2.save init_run : 0.91s CPU 1.17s WALL ( 1 calls) electrons : 376.28s CPU 379.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.15s CPU 0.22s WALL ( 1 calls) Called by electrons: c_bands : 376.28s CPU 379.70s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.05s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.04s WALL ( 1 calls) newd : 0.20s CPU 0.32s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.15s CPU 0.18s WALL ( 341 calls) cegterg : 346.18s CPU 348.72s WALL ( 637 calls) Called by sum_band: Called by *egterg: h_psi : 263.09s CPU 264.88s WALL ( 10342 calls) s_psi : 10.02s CPU 10.05s WALL ( 10342 calls) g_psi : 0.66s CPU 0.66s WALL ( 9364 calls) cdiaghg : 54.12s CPU 55.00s WALL ( 9705 calls) cegterg:over : 13.88s CPU 13.98s WALL ( 9364 calls) cegterg:upda : 15.91s CPU 15.83s WALL ( 9364 calls) cegterg:last : 6.73s CPU 6.77s WALL ( 1640 calls) cdiaghg:chol : 2.98s CPU 3.25s WALL ( 9705 calls) cdiaghg:inve : 1.97s CPU 1.82s WALL ( 9705 calls) cdiaghg:para : 3.15s CPU 3.26s WALL ( 19410 calls) Called by h_psi: h_psi:vloc : 237.16s CPU 238.98s WALL ( 10342 calls) h_psi:vnl : 25.14s CPU 25.20s WALL ( 10342 calls) add_vuspsi : 11.78s CPU 11.67s WALL ( 10342 calls) General routines calbec : 13.30s CPU 13.49s WALL ( 10342 calls) fft : 0.05s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 197.93s CPU 199.42s WALL ( 823756 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.36s CPU 0.47s WALL ( 682 calls) Parallel routines fft_scatter : 61.72s CPU 62.34s WALL ( 823779 calls) PWSCF : 6m43.64s CPU 7m 3.91s WALL This run was terminated on: 14:33:52 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=