Program PWSCF v.5.1.1 starts on 12Oct2015 at 5:27:51 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BPO4.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 22 6 881 381 59 Max 40 23 7 884 397 64 Sum 1897 1095 319 42337 18571 2943 bravais-lattice index = 14 lattice parameter (alat) = 8.5678 a.u. unit-cell volume = 426.8144 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.567798 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.536938 celldm(5)= -0.536938 celldm(6)= 0.073875 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.073875 0.997267 0.000000 ) a(3) = ( -0.536938 -0.498634 0.680487 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.074078 0.734768 ) b(2) = ( 0.000000 1.002740 0.734768 ) b(3) = ( 0.000000 0.000000 1.469536 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) B 3.00 10.81100 B( 1.00) P 5.00 30.97380 P( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 378 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0000000 0.0000000 0.0144072), wk = 0.0026455 k( 3) = ( 0.0000000 0.0000000 0.0288144), wk = 0.0026455 k( 4) = ( 0.0000000 0.0000000 0.0432216), wk = 0.0026455 k( 5) = ( 0.0000000 0.0000000 0.0576289), wk = 0.0026455 k( 6) = ( 0.0000000 0.0000000 0.0720361), wk = 0.0026455 k( 7) = ( 0.0000000 0.0000000 0.0864433), wk = 0.0026455 k( 8) = ( 0.0000000 0.0000000 0.1008505), wk = 0.0026455 k( 9) = ( 0.0000000 0.0000000 0.1152577), wk = 0.0026455 k( 10) = ( 0.0000000 0.0000000 0.1296649), wk = 0.0026455 k( 11) = ( 0.0000000 0.0000000 0.1440722), wk = 0.0026455 k( 12) = ( 0.0000000 0.0000000 0.1584794), wk = 0.0026455 k( 13) = ( 0.0000000 0.0000000 0.1728866), wk = 0.0026455 k( 14) = ( 0.0000000 0.0000000 0.1872938), wk = 0.0026455 k( 15) = ( 0.0000000 0.0000000 0.2017010), wk = 0.0026455 k( 16) = ( 0.0000000 0.0000000 0.2161082), wk = 0.0026455 k( 17) = ( 0.0000000 0.0000000 0.2305155), wk = 0.0026455 k( 18) = ( 0.0000000 0.0000000 0.2449227), wk = 0.0026455 k( 19) = ( 0.0000000 0.0000000 0.2593299), wk = 0.0026455 k( 20) = ( 0.0000000 0.0000000 0.2737371), wk = 0.0026455 k( 21) = ( 0.0000000 0.0000000 0.2881443), wk = 0.0026455 k( 22) = ( 0.0000000 0.0000000 0.3025515), wk = 0.0026455 k( 23) = ( 0.0000000 0.0000000 0.3169588), wk = 0.0026455 k( 24) = ( 0.0000000 0.0000000 0.3313660), wk = 0.0026455 k( 25) = ( 0.0000000 0.0000000 0.3457732), wk = 0.0026455 k( 26) = ( 0.0000000 0.0000000 0.3601804), wk = 0.0026455 k( 27) = ( 0.0000000 0.0000000 0.3745876), wk = 0.0026455 k( 28) = ( 0.0000000 0.0000000 0.3889948), wk = 0.0026455 k( 29) = ( 0.0000000 0.0000000 0.4034021), wk = 0.0026455 k( 30) = ( 0.0000000 0.0000000 0.4178093), wk = 0.0026455 k( 31) = ( 0.0000000 0.0000000 0.4322165), wk = 0.0026455 k( 32) = ( 0.0000000 0.0000000 0.4466237), wk = 0.0026455 k( 33) = ( 0.0000000 0.0000000 0.4610309), wk = 0.0026455 k( 34) = ( 0.0000000 0.0000000 0.4754381), wk = 0.0026455 k( 35) = ( 0.0000000 0.0000000 0.4898454), wk = 0.0026455 k( 36) = ( 0.0000000 0.0000000 0.5042526), wk = 0.0026455 k( 37) = ( 0.0000000 0.0000000 0.5186598), wk = 0.0026455 k( 38) = ( 0.0000000 0.0000000 0.5330670), wk = 0.0026455 k( 39) = ( 0.0000000 0.0000000 0.5474742), wk = 0.0026455 k( 40) = ( 0.0000000 0.0000000 0.5618815), wk = 0.0026455 k( 41) = ( 0.0000000 0.0000000 0.5762887), wk = 0.0026455 k( 42) = ( 0.0000000 0.0000000 0.5906959), wk = 0.0026455 k( 43) = ( 0.0000000 0.0000000 0.6051031), wk = 0.0026455 k( 44) = ( 0.0000000 0.0000000 0.6195103), wk = 0.0026455 k( 45) = ( 0.0000000 0.0000000 0.6339175), wk = 0.0026455 k( 46) = ( 0.0000000 0.0000000 0.6483248), wk = 0.0026455 k( 47) = ( 0.0000000 0.0000000 0.6627320), wk = 0.0026455 k( 48) = ( 0.0000000 0.0000000 0.6771392), wk = 0.0026455 k( 49) = ( 0.0000000 0.0000000 0.6915464), wk = 0.0026455 k( 50) = ( 0.0000000 0.0000000 0.7059536), wk = 0.0026455 k( 51) = ( 0.0000000 0.0000000 0.7203608), wk = 0.0026455 k( 52) = ( 0.0000000 0.0000000 0.7347681), wk = 0.0026455 k( 53) = ( 0.0000000 0.0000000 0.7347681), wk = 0.0026455 k( 54) = ( -0.0098002 0.0105530 0.7347681), wk = 0.0026455 k( 55) = ( -0.0196003 0.0211060 0.7347681), wk = 0.0026455 k( 56) = ( -0.0294005 0.0316589 0.7347681), wk = 0.0026455 k( 57) = ( -0.0392006 0.0422119 0.7347681), wk = 0.0026455 k( 58) = ( -0.0490008 0.0527649 0.7347681), wk = 0.0026455 k( 59) = ( -0.0588009 0.0633179 0.7347681), wk = 0.0026455 k( 60) = ( -0.0686011 0.0738709 0.7347681), wk = 0.0026455 k( 61) = ( -0.0784012 0.0844238 0.7347681), wk = 0.0026455 k( 62) = ( -0.0882014 0.0949768 0.7347681), wk = 0.0026455 k( 63) = ( -0.0980016 0.1055298 0.7347681), wk = 0.0026455 k( 64) = ( -0.1078017 0.1160828 0.7347681), wk = 0.0026455 k( 65) = ( -0.1176019 0.1266358 0.7347681), wk = 0.0026455 k( 66) = ( -0.1274020 0.1371888 0.7347681), wk = 0.0026455 k( 67) = ( -0.1372022 0.1477417 0.7347681), wk = 0.0026455 k( 68) = ( -0.1470023 0.1582947 0.7347681), wk = 0.0026455 k( 69) = ( -0.1568025 0.1688477 0.7347681), wk = 0.0026455 k( 70) = ( -0.1666026 0.1794007 0.7347681), wk = 0.0026455 k( 71) = ( -0.1764028 0.1899536 0.7347681), wk = 0.0026455 k( 72) = ( -0.1862030 0.2005066 0.7347681), wk = 0.0026455 k( 73) = ( -0.1960031 0.2110596 0.7347681), wk = 0.0026455 k( 74) = ( -0.2058033 0.2216126 0.7347681), wk = 0.0026455 k( 75) = ( -0.2156034 0.2321656 0.7347681), wk = 0.0026455 k( 76) = ( -0.2156034 0.2321656 0.7347681), wk = 0.0026455 k( 77) = ( -0.2223748 0.2394571 0.7248173), wk = 0.0026455 k( 78) = ( -0.2291461 0.2467486 0.7148666), wk = 0.0026455 k( 79) = ( -0.2359175 0.2540401 0.7049158), wk = 0.0026455 k( 80) = ( -0.2426888 0.2613316 0.6949651), wk = 0.0026455 k( 81) = ( -0.2494601 0.2686231 0.6850144), wk = 0.0026455 k( 82) = ( -0.2562315 0.2759146 0.6750636), wk = 0.0026455 k( 83) = ( -0.2630029 0.2832061 0.6651129), wk = 0.0026455 k( 84) = ( -0.2697742 0.2904976 0.6551621), wk = 0.0026455 k( 85) = ( -0.2765455 0.2977891 0.6452114), wk = 0.0026455 k( 86) = ( -0.2833169 0.3050806 0.6352607), wk = 0.0026455 k( 87) = ( -0.2900882 0.3123721 0.6253099), wk = 0.0026455 k( 88) = ( -0.2968596 0.3196637 0.6153592), wk = 0.0026455 k( 89) = ( -0.3036309 0.3269552 0.6054084), wk = 0.0026455 k( 90) = ( -0.3104023 0.3342467 0.5954577), wk = 0.0026455 k( 91) = ( -0.3171736 0.3415382 0.5855070), wk = 0.0026455 k( 92) = ( -0.3239450 0.3488297 0.5755562), wk = 0.0026455 k( 93) = ( -0.3307163 0.3561212 0.5656055), wk = 0.0026455 k( 94) = ( -0.3374877 0.3634127 0.5556547), wk = 0.0026455 k( 95) = ( -0.3442590 0.3707042 0.5457040), wk = 0.0026455 k( 96) = ( -0.3510304 0.3779957 0.5357533), wk = 0.0026455 k( 97) = ( -0.3578017 0.3852872 0.5258025), wk = 0.0026455 k( 98) = ( -0.3578017 0.3852872 0.5258025), wk = 0.0026455 k( 99) = ( -0.3509209 0.3778778 0.5156909), wk = 0.0026455 k( 100) = ( -0.3440401 0.3704685 0.5055793), wk = 0.0026455 k( 101) = ( -0.3371593 0.3630591 0.4954678), wk = 0.0026455 k( 102) = ( -0.3302785 0.3556497 0.4853562), wk = 0.0026455 k( 103) = ( -0.3233977 0.3482404 0.4752446), wk = 0.0026455 k( 104) = ( -0.3165169 0.3408310 0.4651330), wk = 0.0026455 k( 105) = ( -0.3096361 0.3334216 0.4550214), wk = 0.0026455 k( 106) = ( -0.3027553 0.3260123 0.4449098), wk = 0.0026455 k( 107) = ( -0.2958745 0.3186029 0.4347982), wk = 0.0026455 k( 108) = ( -0.2889937 0.3111935 0.4246867), wk = 0.0026455 k( 109) = ( -0.2821129 0.3037841 0.4145751), wk = 0.0026455 k( 110) = ( -0.2752321 0.2963748 0.4044635), wk = 0.0026455 k( 111) = ( -0.2683513 0.2889654 0.3943519), wk = 0.0026455 k( 112) = ( -0.2614705 0.2815560 0.3842403), wk = 0.0026455 k( 113) = ( -0.2545897 0.2741467 0.3741287), wk = 0.0026455 k( 114) = ( -0.2477089 0.2667373 0.3640171), wk = 0.0026455 k( 115) = ( -0.2408281 0.2593279 0.3539055), wk = 0.0026455 k( 116) = ( -0.2339473 0.2519186 0.3437940), wk = 0.0026455 k( 117) = ( -0.2270665 0.2445092 0.3336824), wk = 0.0026455 k( 118) = ( -0.2201857 0.2370998 0.3235708), wk = 0.0026455 k( 119) = ( -0.2133049 0.2296904 0.3134592), wk = 0.0026455 k( 120) = ( -0.2064241 0.2222811 0.3033476), wk = 0.0026455 k( 121) = ( -0.1995433 0.2148717 0.2932360), wk = 0.0026455 k( 122) = ( -0.1926625 0.2074623 0.2831244), wk = 0.0026455 k( 123) = ( -0.1857817 0.2000530 0.2730129), wk = 0.0026455 k( 124) = ( -0.1789009 0.1926436 0.2629013), wk = 0.0026455 k( 125) = ( -0.1720201 0.1852342 0.2527897), wk = 0.0026455 k( 126) = ( -0.1651392 0.1778249 0.2426781), wk = 0.0026455 k( 127) = ( -0.1582584 0.1704155 0.2325665), wk = 0.0026455 k( 128) = ( -0.1513777 0.1630061 0.2224549), wk = 0.0026455 k( 129) = ( -0.1444968 0.1555968 0.2123433), wk = 0.0026455 k( 130) = ( -0.1376160 0.1481874 0.2022317), wk = 0.0026455 k( 131) = ( -0.1307352 0.1407780 0.1921202), wk = 0.0026455 k( 132) = ( -0.1238544 0.1333687 0.1820086), wk = 0.0026455 k( 133) = ( -0.1169736 0.1259593 0.1718970), wk = 0.0026455 k( 134) = ( -0.1100928 0.1185499 0.1617854), wk = 0.0026455 k( 135) = ( -0.1032120 0.1111405 0.1516738), wk = 0.0026455 k( 136) = ( -0.0963312 0.1037312 0.1415622), wk = 0.0026455 k( 137) = ( -0.0894504 0.0963218 0.1314506), wk = 0.0026455 k( 138) = ( -0.0825696 0.0889124 0.1213390), wk = 0.0026455 k( 139) = ( -0.0756888 0.0815031 0.1112275), wk = 0.0026455 k( 140) = ( -0.0688080 0.0740937 0.1011159), wk = 0.0026455 k( 141) = ( -0.0619272 0.0666843 0.0910043), wk = 0.0026455 k( 142) = ( -0.0550464 0.0592750 0.0808927), wk = 0.0026455 k( 143) = ( -0.0481656 0.0518656 0.0707811), wk = 0.0026455 k( 144) = ( -0.0412848 0.0444562 0.0606695), wk = 0.0026455 k( 145) = ( -0.0344040 0.0370468 0.0505579), wk = 0.0026455 k( 146) = ( -0.0275232 0.0296375 0.0404464), wk = 0.0026455 k( 147) = ( -0.0206424 0.0222281 0.0303348), wk = 0.0026455 k( 148) = ( -0.0137616 0.0148187 0.0202232), wk = 0.0026455 k( 149) = ( -0.0068808 0.0074094 0.0101116), wk = 0.0026455 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 152) = ( 0.0104167 0.0096736 -0.0000000), wk = 0.0026455 k( 153) = ( 0.0208333 0.0193471 -0.0000000), wk = 0.0026455 k( 154) = ( 0.0312500 0.0290207 -0.0000000), wk = 0.0026455 k( 155) = ( 0.0416667 0.0386943 -0.0000000), wk = 0.0026455 k( 156) = ( 0.0520833 0.0483678 -0.0000000), wk = 0.0026455 k( 157) = ( 0.0625000 0.0580414 -0.0000000), wk = 0.0026455 k( 158) = ( 0.0729167 0.0677150 -0.0000000), wk = 0.0026455 k( 159) = ( 0.0833333 0.0773885 -0.0000000), wk = 0.0026455 k( 160) = ( 0.0937500 0.0870621 -0.0000000), wk = 0.0026455 k( 161) = ( 0.1041667 0.0967357 -0.0000000), wk = 0.0026455 k( 162) = ( 0.1145833 0.1064092 -0.0000000), wk = 0.0026455 k( 163) = ( 0.1250000 0.1160828 -0.0000000), wk = 0.0026455 k( 164) = ( 0.1354167 0.1257564 -0.0000000), wk = 0.0026455 k( 165) = ( 0.1458333 0.1354299 -0.0000000), wk = 0.0026455 k( 166) = ( 0.1562500 0.1451035 -0.0000000), wk = 0.0026455 k( 167) = ( 0.1666667 0.1547771 -0.0000000), wk = 0.0026455 k( 168) = ( 0.1770833 0.1644506 -0.0000000), wk = 0.0026455 k( 169) = ( 0.1875000 0.1741242 -0.0000000), wk = 0.0026455 k( 170) = ( 0.1979167 0.1837977 -0.0000000), wk = 0.0026455 k( 171) = ( 0.2083333 0.1934713 -0.0000000), wk = 0.0026455 k( 172) = ( 0.2187500 0.2031449 -0.0000000), wk = 0.0026455 k( 173) = ( 0.2291667 0.2128184 -0.0000000), wk = 0.0026455 k( 174) = ( 0.2395833 0.2224920 -0.0000000), wk = 0.0026455 k( 175) = ( 0.2500000 0.2321656 -0.0000000), wk = 0.0026455 k( 176) = ( 0.2604167 0.2418391 -0.0000000), wk = 0.0026455 k( 177) = ( 0.2708333 0.2515127 -0.0000000), wk = 0.0026455 k( 178) = ( 0.2812500 0.2611863 -0.0000000), wk = 0.0026455 k( 179) = ( 0.2916667 0.2708598 -0.0000000), wk = 0.0026455 k( 180) = ( 0.3020833 0.2805334 -0.0000000), wk = 0.0026455 k( 181) = ( 0.3125000 0.2902070 -0.0000000), wk = 0.0026455 k( 182) = ( 0.3229167 0.2998805 -0.0000000), wk = 0.0026455 k( 183) = ( 0.3333333 0.3095541 -0.0000000), wk = 0.0026455 k( 184) = ( 0.3437500 0.3192277 -0.0000000), wk = 0.0026455 k( 185) = ( 0.3541667 0.3289012 -0.0000000), wk = 0.0026455 k( 186) = ( 0.3645833 0.3385748 -0.0000000), wk = 0.0026455 k( 187) = ( 0.3750000 0.3482484 -0.0000000), wk = 0.0026455 k( 188) = ( 0.3854167 0.3579219 -0.0000000), wk = 0.0026455 k( 189) = ( 0.3958333 0.3675955 -0.0000000), wk = 0.0026455 k( 190) = ( 0.4062500 0.3772691 -0.0000000), wk = 0.0026455 k( 191) = ( 0.4166667 0.3869426 -0.0000000), wk = 0.0026455 k( 192) = ( 0.4270833 0.3966162 -0.0000000), wk = 0.0026455 k( 193) = ( 0.4375000 0.4062898 -0.0000000), wk = 0.0026455 k( 194) = ( 0.4479167 0.4159633 -0.0000000), wk = 0.0026455 k( 195) = ( 0.4583333 0.4256369 -0.0000000), wk = 0.0026455 k( 196) = ( 0.4687500 0.4353105 -0.0000000), wk = 0.0026455 k( 197) = ( 0.4791667 0.4449840 -0.0000000), wk = 0.0026455 k( 198) = ( 0.4895833 0.4546576 -0.0000000), wk = 0.0026455 k( 199) = ( 0.5000000 0.4643311 -0.0000000), wk = 0.0026455 k( 200) = ( 0.5000000 0.4643311 -0.0000000), wk = 0.0026455 k( 201) = ( 0.4932286 0.4716227 0.0099507), wk = 0.0026455 k( 202) = ( 0.4864573 0.4789142 0.0199015), wk = 0.0026455 k( 203) = ( 0.4796860 0.4862057 0.0298522), wk = 0.0026455 k( 204) = ( 0.4729146 0.4934972 0.0398030), wk = 0.0026455 k( 205) = ( 0.4661433 0.5007887 0.0497537), wk = 0.0026455 k( 206) = ( 0.4593719 0.5080802 0.0597044), wk = 0.0026455 k( 207) = ( 0.4526006 0.5153717 0.0696552), wk = 0.0026455 k( 208) = ( 0.4458292 0.5226632 0.0796059), wk = 0.0026455 k( 209) = ( 0.4390579 0.5299547 0.0895567), wk = 0.0026455 k( 210) = ( 0.4322865 0.5372462 0.0995074), wk = 0.0026455 k( 211) = ( 0.4255152 0.5445377 0.1094581), wk = 0.0026455 k( 212) = ( 0.4187438 0.5518292 0.1194089), wk = 0.0026455 k( 213) = ( 0.4119725 0.5591207 0.1293596), wk = 0.0026455 k( 214) = ( 0.4052011 0.5664122 0.1393103), wk = 0.0026455 k( 215) = ( 0.3984298 0.5737037 0.1492611), wk = 0.0026455 k( 216) = ( 0.3916584 0.5809953 0.1592118), wk = 0.0026455 k( 217) = ( 0.3848871 0.5882868 0.1691626), wk = 0.0026455 k( 218) = ( 0.3781157 0.5955783 0.1791133), wk = 0.0026455 k( 219) = ( 0.3713444 0.6028698 0.1890640), wk = 0.0026455 k( 220) = ( 0.3645731 0.6101613 0.1990148), wk = 0.0026455 k( 221) = ( 0.3578017 0.6174528 0.2089655), wk = 0.0026455 k( 222) = ( 0.3578017 0.6174528 0.2089655), wk = 0.0026455 k( 223) = ( 0.3454637 0.6134499 0.2144282), wk = 0.0026455 k( 224) = ( 0.3331257 0.6094471 0.2198909), wk = 0.0026455 k( 225) = ( 0.3207877 0.6054442 0.2253536), wk = 0.0026455 k( 226) = ( 0.3084498 0.6014414 0.2308164), wk = 0.0026455 k( 227) = ( 0.2961118 0.5974385 0.2362791), wk = 0.0026455 k( 228) = ( 0.2837738 0.5934357 0.2417418), wk = 0.0026455 k( 229) = ( 0.2714358 0.5894328 0.2472045), wk = 0.0026455 k( 230) = ( 0.2590978 0.5854300 0.2526672), wk = 0.0026455 k( 231) = ( 0.2467598 0.5814271 0.2581299), wk = 0.0026455 k( 232) = ( 0.2344218 0.5774242 0.2635926), wk = 0.0026455 k( 233) = ( 0.2220838 0.5734214 0.2690553), wk = 0.0026455 k( 234) = ( 0.2097458 0.5694185 0.2745180), wk = 0.0026455 k( 235) = ( 0.1974078 0.5654157 0.2799807), wk = 0.0026455 k( 236) = ( 0.1850699 0.5614128 0.2854434), wk = 0.0026455 k( 237) = ( 0.1727319 0.5574100 0.2909061), wk = 0.0026455 k( 238) = ( 0.1603939 0.5534071 0.2963688), wk = 0.0026455 k( 239) = ( 0.1480559 0.5494043 0.3018315), wk = 0.0026455 k( 240) = ( 0.1357179 0.5454014 0.3072942), wk = 0.0026455 k( 241) = ( 0.1233799 0.5413985 0.3127570), wk = 0.0026455 k( 242) = ( 0.1110419 0.5373957 0.3182197), wk = 0.0026455 k( 243) = ( 0.0987039 0.5333928 0.3236824), wk = 0.0026455 k( 244) = ( 0.0863659 0.5293900 0.3291451), wk = 0.0026455 k( 245) = ( 0.0740279 0.5253871 0.3346078), wk = 0.0026455 k( 246) = ( 0.0616900 0.5213843 0.3400705), wk = 0.0026455 k( 247) = ( 0.0493520 0.5173814 0.3455332), wk = 0.0026455 k( 248) = ( 0.0370140 0.5133786 0.3509959), wk = 0.0026455 k( 249) = ( 0.0246760 0.5093757 0.3564586), wk = 0.0026455 k( 250) = ( 0.0123380 0.5053729 0.3619213), wk = 0.0026455 k( 251) = ( 0.0000000 0.5013700 0.3673840), wk = 0.0026455 k( 252) = ( 0.0000000 0.5013700 0.3673840), wk = 0.0026455 k( 253) = ( 0.0067568 0.4940942 0.3773133), wk = 0.0026455 k( 254) = ( 0.0135135 0.4868184 0.3872426), wk = 0.0026455 k( 255) = ( 0.0202703 0.4795426 0.3971719), wk = 0.0026455 k( 256) = ( 0.0270270 0.4722668 0.4071012), wk = 0.0026455 k( 257) = ( 0.0337838 0.4649910 0.4170305), wk = 0.0026455 k( 258) = ( 0.0405405 0.4577152 0.4269598), wk = 0.0026455 k( 259) = ( 0.0472973 0.4504394 0.4368891), wk = 0.0026455 k( 260) = ( 0.0540540 0.4431636 0.4468184), wk = 0.0026455 k( 261) = ( 0.0608108 0.4358878 0.4567477), wk = 0.0026455 k( 262) = ( 0.0675676 0.4286120 0.4666770), wk = 0.0026455 k( 263) = ( 0.0743243 0.4213363 0.4766063), wk = 0.0026455 k( 264) = ( 0.0810811 0.4140605 0.4865356), wk = 0.0026455 k( 265) = ( 0.0878378 0.4067847 0.4964649), wk = 0.0026455 k( 266) = ( 0.0945946 0.3995089 0.5063942), wk = 0.0026455 k( 267) = ( 0.1013514 0.3922331 0.5163235), wk = 0.0026455 k( 268) = ( 0.1081081 0.3849573 0.5262528), wk = 0.0026455 k( 269) = ( 0.1148649 0.3776815 0.5361821), wk = 0.0026455 k( 270) = ( 0.1216216 0.3704057 0.5461114), wk = 0.0026455 k( 271) = ( 0.1283784 0.3631299 0.5560407), wk = 0.0026455 k( 272) = ( 0.1351351 0.3558541 0.5659700), wk = 0.0026455 k( 273) = ( 0.1418919 0.3485783 0.5758993), wk = 0.0026455 k( 274) = ( 0.1486486 0.3413025 0.5858286), wk = 0.0026455 k( 275) = ( 0.1554054 0.3340267 0.5957579), wk = 0.0026455 k( 276) = ( 0.1621622 0.3267509 0.6056872), wk = 0.0026455 k( 277) = ( 0.1689189 0.3194751 0.6156165), wk = 0.0026455 k( 278) = ( 0.1756757 0.3121993 0.6255458), wk = 0.0026455 k( 279) = ( 0.1824324 0.3049235 0.6354751), wk = 0.0026455 k( 280) = ( 0.1891892 0.2976477 0.6454044), wk = 0.0026455 k( 281) = ( 0.1959460 0.2903719 0.6553337), wk = 0.0026455 k( 282) = ( 0.2027027 0.2830961 0.6652630), wk = 0.0026455 k( 283) = ( 0.2094595 0.2758203 0.6751923), wk = 0.0026455 k( 284) = ( 0.2162162 0.2685445 0.6851216), wk = 0.0026455 k( 285) = ( 0.2229730 0.2612688 0.6950509), wk = 0.0026455 k( 286) = ( 0.2297297 0.2539930 0.7049802), wk = 0.0026455 k( 287) = ( 0.2364865 0.2467172 0.7149095), wk = 0.0026455 k( 288) = ( 0.2432432 0.2394414 0.7248388), wk = 0.0026455 k( 289) = ( 0.2500000 0.2321656 0.7347681), wk = 0.0026455 k( 290) = ( 0.2500000 0.2321656 0.7347681), wk = 0.0026455 k( 291) = ( 0.2575758 0.2392009 0.7251669), wk = 0.0026455 k( 292) = ( 0.2651515 0.2462362 0.7155658), wk = 0.0026455 k( 293) = ( 0.2727273 0.2532715 0.7059647), wk = 0.0026455 k( 294) = ( 0.2803030 0.2603069 0.6963636), wk = 0.0026455 k( 295) = ( 0.2878788 0.2673422 0.6867625), wk = 0.0026455 k( 296) = ( 0.2954545 0.2743775 0.6771613), wk = 0.0026455 k( 297) = ( 0.3030303 0.2814128 0.6675602), wk = 0.0026455 k( 298) = ( 0.3106061 0.2884481 0.6579591), wk = 0.0026455 k( 299) = ( 0.3181818 0.2954835 0.6483580), wk = 0.0026455 k( 300) = ( 0.3257576 0.3025188 0.6387569), wk = 0.0026455 k( 301) = ( 0.3333333 0.3095541 0.6291557), wk = 0.0026455 k( 302) = ( 0.3409091 0.3165894 0.6195546), wk = 0.0026455 k( 303) = ( 0.3484849 0.3236247 0.6099535), wk = 0.0026455 k( 304) = ( 0.3560606 0.3306601 0.6003524), wk = 0.0026455 k( 305) = ( 0.3636364 0.3376954 0.5907512), wk = 0.0026455 k( 306) = ( 0.3712121 0.3447307 0.5811501), wk = 0.0026455 k( 307) = ( 0.3787879 0.3517660 0.5715490), wk = 0.0026455 k( 308) = ( 0.3863636 0.3588013 0.5619479), wk = 0.0026455 k( 309) = ( 0.3939394 0.3658367 0.5523467), wk = 0.0026455 k( 310) = ( 0.4015151 0.3728720 0.5427456), wk = 0.0026455 k( 311) = ( 0.4090909 0.3799073 0.5331445), wk = 0.0026455 k( 312) = ( 0.4166667 0.3869426 0.5235434), wk = 0.0026455 k( 313) = ( 0.4242424 0.3939779 0.5139423), wk = 0.0026455 k( 314) = ( 0.4318182 0.4010133 0.5043411), wk = 0.0026455 k( 315) = ( 0.4393939 0.4080486 0.4947400), wk = 0.0026455 k( 316) = ( 0.4469697 0.4150839 0.4851389), wk = 0.0026455 k( 317) = ( 0.4545455 0.4221192 0.4755378), wk = 0.0026455 k( 318) = ( 0.4621212 0.4291545 0.4659367), wk = 0.0026455 k( 319) = ( 0.4696970 0.4361899 0.4563355), wk = 0.0026455 k( 320) = ( 0.4772727 0.4432252 0.4467344), wk = 0.0026455 k( 321) = ( 0.4848485 0.4502605 0.4371333), wk = 0.0026455 k( 322) = ( 0.4924242 0.4572958 0.4275322), wk = 0.0026455 k( 323) = ( 0.5000000 0.4643311 0.4179311), wk = 0.0026455 k( 324) = ( 0.5000000 0.4643311 0.4179311), wk = 0.0026455 k( 325) = ( 0.5000000 0.4643311 0.4035196), wk = 0.0026455 k( 326) = ( 0.5000000 0.4643311 0.3891082), wk = 0.0026455 k( 327) = ( 0.5000000 0.4643311 0.3746968), wk = 0.0026455 k( 328) = ( 0.5000000 0.4643311 0.3602854), wk = 0.0026455 k( 329) = ( 0.5000000 0.4643311 0.3458740), wk = 0.0026455 k( 330) = ( 0.5000000 0.4643311 0.3314626), wk = 0.0026455 k( 331) = ( 0.5000000 0.4643311 0.3170511), wk = 0.0026455 k( 332) = ( 0.5000000 0.4643311 0.3026397), wk = 0.0026455 k( 333) = ( 0.5000000 0.4643311 0.2882283), wk = 0.0026455 k( 334) = ( 0.5000000 0.4643311 0.2738169), wk = 0.0026455 k( 335) = ( 0.5000000 0.4643311 0.2594055), wk = 0.0026455 k( 336) = ( 0.5000000 0.4643311 0.2449941), wk = 0.0026455 k( 337) = ( 0.5000000 0.4643311 0.2305826), wk = 0.0026455 k( 338) = ( 0.5000000 0.4643311 0.2161712), wk = 0.0026455 k( 339) = ( 0.5000000 0.4643311 0.2017598), wk = 0.0026455 k( 340) = ( 0.5000000 0.4643311 0.1873484), wk = 0.0026455 k( 341) = ( 0.5000000 0.4643311 0.1729370), wk = 0.0026455 k( 342) = ( 0.5000000 0.4643311 0.1585256), wk = 0.0026455 k( 343) = ( 0.5000000 0.4643311 0.1441142), wk = 0.0026455 k( 344) = ( 0.5000000 0.4643311 0.1297027), wk = 0.0026455 k( 345) = ( 0.5000000 0.4643311 0.1152913), wk = 0.0026455 k( 346) = ( 0.5000000 0.4643311 0.1008799), wk = 0.0026455 k( 347) = ( 0.5000000 0.4643311 0.0864685), wk = 0.0026455 k( 348) = ( 0.5000000 0.4643311 0.0720571), wk = 0.0026455 k( 349) = ( 0.5000000 0.4643311 0.0576457), wk = 0.0026455 k( 350) = ( 0.5000000 0.4643311 0.0432343), wk = 0.0026455 k( 351) = ( 0.5000000 0.4643311 0.0288228), wk = 0.0026455 k( 352) = ( 0.5000000 0.4643311 0.0144114), wk = 0.0026455 k( 353) = ( 0.5000000 0.4643311 -0.0000000), wk = 0.0026455 k( 354) = ( 0.0000000 0.0000000 0.7347681), wk = 0.0026455 k( 355) = ( 0.0104167 0.0096736 0.7347681), wk = 0.0026455 k( 356) = ( 0.0208333 0.0193471 0.7347681), wk = 0.0026455 k( 357) = ( 0.0312500 0.0290207 0.7347681), wk = 0.0026455 k( 358) = ( 0.0416667 0.0386943 0.7347681), wk = 0.0026455 k( 359) = ( 0.0520833 0.0483678 0.7347681), wk = 0.0026455 k( 360) = ( 0.0625000 0.0580414 0.7347681), wk = 0.0026455 k( 361) = ( 0.0729167 0.0677150 0.7347681), wk = 0.0026455 k( 362) = ( 0.0833333 0.0773885 0.7347681), wk = 0.0026455 k( 363) = ( 0.0937500 0.0870621 0.7347681), wk = 0.0026455 k( 364) = ( 0.1041667 0.0967357 0.7347681), wk = 0.0026455 k( 365) = ( 0.1145833 0.1064092 0.7347681), wk = 0.0026455 k( 366) = ( 0.1250000 0.1160828 0.7347681), wk = 0.0026455 k( 367) = ( 0.1354167 0.1257564 0.7347681), wk = 0.0026455 k( 368) = ( 0.1458333 0.1354299 0.7347681), wk = 0.0026455 k( 369) = ( 0.1562500 0.1451035 0.7347681), wk = 0.0026455 k( 370) = ( 0.1666667 0.1547771 0.7347681), wk = 0.0026455 k( 371) = ( 0.1770833 0.1644506 0.7347681), wk = 0.0026455 k( 372) = ( 0.1875000 0.1741242 0.7347681), wk = 0.0026455 k( 373) = ( 0.1979167 0.1837977 0.7347681), wk = 0.0026455 k( 374) = ( 0.2083333 0.1934713 0.7347681), wk = 0.0026455 k( 375) = ( 0.2187500 0.2031449 0.7347681), wk = 0.0026455 k( 376) = ( 0.2291667 0.2128184 0.7347681), wk = 0.0026455 k( 377) = ( 0.2395833 0.2224920 0.7347681), wk = 0.0026455 k( 378) = ( 0.2500000 0.2321656 0.7347681), wk = 0.0026455 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0000000 0.0000000 0.0098039), wk = 0.0026455 k( 3) = ( 0.0000000 0.0000000 0.0196078), wk = 0.0026455 k( 4) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0026455 k( 5) = ( 0.0000000 0.0000000 0.0392157), wk = 0.0026455 k( 6) = ( 0.0000000 0.0000000 0.0490196), wk = 0.0026455 k( 7) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0026455 k( 8) = ( 0.0000000 0.0000000 0.0686274), wk = 0.0026455 k( 9) = ( 0.0000000 0.0000000 0.0784314), wk = 0.0026455 k( 10) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0026455 k( 11) = ( 0.0000000 0.0000000 0.0980392), wk = 0.0026455 k( 12) = ( 0.0000000 0.0000000 0.1078431), wk = 0.0026455 k( 13) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0026455 k( 14) = ( 0.0000000 0.0000000 0.1274510), wk = 0.0026455 k( 15) = ( 0.0000000 0.0000000 0.1372549), wk = 0.0026455 k( 16) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0026455 k( 17) = ( 0.0000000 0.0000000 0.1568627), wk = 0.0026455 k( 18) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026455 k( 19) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0026455 k( 20) = ( 0.0000000 0.0000000 0.1862745), wk = 0.0026455 k( 21) = ( 0.0000000 0.0000000 0.1960784), wk = 0.0026455 k( 22) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0026455 k( 23) = ( 0.0000000 0.0000000 0.2156863), wk = 0.0026455 k( 24) = ( 0.0000000 0.0000000 0.2254902), wk = 0.0026455 k( 25) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0026455 k( 26) = ( 0.0000000 0.0000000 0.2450980), wk = 0.0026455 k( 27) = ( 0.0000000 0.0000000 0.2549020), wk = 0.0026455 k( 28) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0026455 k( 29) = ( 0.0000000 0.0000000 0.2745098), wk = 0.0026455 k( 30) = ( 0.0000000 0.0000000 0.2843137), wk = 0.0026455 k( 31) = ( 0.0000000 0.0000000 0.2941176), wk = 0.0026455 k( 32) = ( 0.0000000 0.0000000 0.3039216), wk = 0.0026455 k( 33) = ( 0.0000000 0.0000000 0.3137255), wk = 0.0026455 k( 34) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0026455 k( 35) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026455 k( 36) = ( 0.0000000 0.0000000 0.3431372), wk = 0.0026455 k( 37) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0026455 k( 38) = ( 0.0000000 0.0000000 0.3627451), wk = 0.0026455 k( 39) = ( 0.0000000 0.0000000 0.3725490), wk = 0.0026455 k( 40) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0026455 k( 41) = ( 0.0000000 0.0000000 0.3921569), wk = 0.0026455 k( 42) = ( 0.0000000 0.0000000 0.4019608), wk = 0.0026455 k( 43) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0026455 k( 44) = ( 0.0000000 0.0000000 0.4215686), wk = 0.0026455 k( 45) = ( 0.0000000 0.0000000 0.4313725), wk = 0.0026455 k( 46) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0026455 k( 47) = ( 0.0000000 0.0000000 0.4509804), wk = 0.0026455 k( 48) = ( 0.0000000 0.0000000 0.4607843), wk = 0.0026455 k( 49) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0026455 k( 50) = ( 0.0000000 0.0000000 0.4803922), wk = 0.0026455 k( 51) = ( 0.0000000 0.0000000 0.4901961), wk = 0.0026455 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 54) = ( -0.0098002 0.0098002 0.5000000), wk = 0.0026455 k( 55) = ( -0.0196003 0.0196003 0.5000000), wk = 0.0026455 k( 56) = ( -0.0294005 0.0294005 0.5000000), wk = 0.0026455 k( 57) = ( -0.0392006 0.0392006 0.5000000), wk = 0.0026455 k( 58) = ( -0.0490008 0.0490008 0.5000000), wk = 0.0026455 k( 59) = ( -0.0588009 0.0588009 0.5000000), wk = 0.0026455 k( 60) = ( -0.0686011 0.0686011 0.5000000), wk = 0.0026455 k( 61) = ( -0.0784012 0.0784012 0.5000000), wk = 0.0026455 k( 62) = ( -0.0882014 0.0882014 0.5000000), wk = 0.0026455 k( 63) = ( -0.0980016 0.0980015 0.5000000), wk = 0.0026455 k( 64) = ( -0.1078017 0.1078017 0.5000000), wk = 0.0026455 k( 65) = ( -0.1176019 0.1176019 0.5000000), wk = 0.0026455 k( 66) = ( -0.1274020 0.1274020 0.5000000), wk = 0.0026455 k( 67) = ( -0.1372022 0.1372022 0.5000000), wk = 0.0026455 k( 68) = ( -0.1470023 0.1470023 0.5000000), wk = 0.0026455 k( 69) = ( -0.1568025 0.1568025 0.5000000), wk = 0.0026455 k( 70) = ( -0.1666026 0.1666026 0.5000000), wk = 0.0026455 k( 71) = ( -0.1764028 0.1764028 0.5000000), wk = 0.0026455 k( 72) = ( -0.1862030 0.1862029 0.5000000), wk = 0.0026455 k( 73) = ( -0.1960031 0.1960031 0.5000000), wk = 0.0026455 k( 74) = ( -0.2058033 0.2058033 0.5000000), wk = 0.0026455 k( 75) = ( -0.2156034 0.2156034 0.5000000), wk = 0.0026455 k( 76) = ( -0.2156034 0.2156034 0.5000000), wk = 0.0026455 k( 77) = ( -0.2223748 0.2223748 0.4932286), wk = 0.0026455 k( 78) = ( -0.2291461 0.2291461 0.4864573), wk = 0.0026455 k( 79) = ( -0.2359175 0.2359175 0.4796860), wk = 0.0026455 k( 80) = ( -0.2426888 0.2426888 0.4729146), wk = 0.0026455 k( 81) = ( -0.2494601 0.2494601 0.4661433), wk = 0.0026455 k( 82) = ( -0.2562315 0.2562315 0.4593719), wk = 0.0026455 k( 83) = ( -0.2630029 0.2630028 0.4526006), wk = 0.0026455 k( 84) = ( -0.2697742 0.2697742 0.4458292), wk = 0.0026455 k( 85) = ( -0.2765455 0.2765455 0.4390579), wk = 0.0026455 k( 86) = ( -0.2833169 0.2833169 0.4322865), wk = 0.0026455 k( 87) = ( -0.2900882 0.2900882 0.4255152), wk = 0.0026455 k( 88) = ( -0.2968596 0.2968596 0.4187438), wk = 0.0026455 k( 89) = ( -0.3036309 0.3036309 0.4119725), wk = 0.0026455 k( 90) = ( -0.3104023 0.3104023 0.4052011), wk = 0.0026455 k( 91) = ( -0.3171736 0.3171736 0.3984298), wk = 0.0026455 k( 92) = ( -0.3239450 0.3239450 0.3916584), wk = 0.0026455 k( 93) = ( -0.3307163 0.3307163 0.3848871), wk = 0.0026455 k( 94) = ( -0.3374877 0.3374877 0.3781157), wk = 0.0026455 k( 95) = ( -0.3442590 0.3442590 0.3713444), wk = 0.0026455 k( 96) = ( -0.3510304 0.3510304 0.3645731), wk = 0.0026455 k( 97) = ( -0.3578017 0.3578017 0.3578017), wk = 0.0026455 k( 98) = ( -0.3578017 0.3578017 0.3578017), wk = 0.0026455 k( 99) = ( -0.3509209 0.3509209 0.3509209), wk = 0.0026455 k( 100) = ( -0.3440401 0.3440401 0.3440401), wk = 0.0026455 k( 101) = ( -0.3371593 0.3371593 0.3371593), wk = 0.0026455 k( 102) = ( -0.3302785 0.3302785 0.3302785), wk = 0.0026455 k( 103) = ( -0.3233977 0.3233977 0.3233977), wk = 0.0026455 k( 104) = ( -0.3165169 0.3165169 0.3165169), wk = 0.0026455 k( 105) = ( -0.3096361 0.3096361 0.3096361), wk = 0.0026455 k( 106) = ( -0.3027553 0.3027553 0.3027553), wk = 0.0026455 k( 107) = ( -0.2958745 0.2958745 0.2958745), wk = 0.0026455 k( 108) = ( -0.2889937 0.2889937 0.2889937), wk = 0.0026455 k( 109) = ( -0.2821129 0.2821129 0.2821129), wk = 0.0026455 k( 110) = ( -0.2752321 0.2752321 0.2752321), wk = 0.0026455 k( 111) = ( -0.2683513 0.2683513 0.2683513), wk = 0.0026455 k( 112) = ( -0.2614705 0.2614705 0.2614705), wk = 0.0026455 k( 113) = ( -0.2545897 0.2545897 0.2545897), wk = 0.0026455 k( 114) = ( -0.2477089 0.2477089 0.2477089), wk = 0.0026455 k( 115) = ( -0.2408281 0.2408281 0.2408281), wk = 0.0026455 k( 116) = ( -0.2339473 0.2339473 0.2339473), wk = 0.0026455 k( 117) = ( -0.2270665 0.2270665 0.2270665), wk = 0.0026455 k( 118) = ( -0.2201857 0.2201857 0.2201857), wk = 0.0026455 k( 119) = ( -0.2133049 0.2133049 0.2133049), wk = 0.0026455 k( 120) = ( -0.2064241 0.2064241 0.2064241), wk = 0.0026455 k( 121) = ( -0.1995433 0.1995433 0.1995433), wk = 0.0026455 k( 122) = ( -0.1926625 0.1926625 0.1926625), wk = 0.0026455 k( 123) = ( -0.1857817 0.1857817 0.1857817), wk = 0.0026455 k( 124) = ( -0.1789009 0.1789009 0.1789008), wk = 0.0026455 k( 125) = ( -0.1720201 0.1720200 0.1720201), wk = 0.0026455 k( 126) = ( -0.1651392 0.1651392 0.1651392), wk = 0.0026455 k( 127) = ( -0.1582584 0.1582584 0.1582584), wk = 0.0026455 k( 128) = ( -0.1513777 0.1513776 0.1513776), wk = 0.0026455 k( 129) = ( -0.1444968 0.1444968 0.1444968), wk = 0.0026455 k( 130) = ( -0.1376160 0.1376160 0.1376160), wk = 0.0026455 k( 131) = ( -0.1307352 0.1307352 0.1307352), wk = 0.0026455 k( 132) = ( -0.1238544 0.1238544 0.1238544), wk = 0.0026455 k( 133) = ( -0.1169736 0.1169736 0.1169736), wk = 0.0026455 k( 134) = ( -0.1100928 0.1100928 0.1100928), wk = 0.0026455 k( 135) = ( -0.1032120 0.1032120 0.1032120), wk = 0.0026455 k( 136) = ( -0.0963312 0.0963312 0.0963312), wk = 0.0026455 k( 137) = ( -0.0894504 0.0894504 0.0894504), wk = 0.0026455 k( 138) = ( -0.0825696 0.0825696 0.0825696), wk = 0.0026455 k( 139) = ( -0.0756888 0.0756888 0.0756888), wk = 0.0026455 k( 140) = ( -0.0688080 0.0688080 0.0688080), wk = 0.0026455 k( 141) = ( -0.0619272 0.0619272 0.0619272), wk = 0.0026455 k( 142) = ( -0.0550464 0.0550464 0.0550464), wk = 0.0026455 k( 143) = ( -0.0481656 0.0481656 0.0481656), wk = 0.0026455 k( 144) = ( -0.0412848 0.0412848 0.0412848), wk = 0.0026455 k( 145) = ( -0.0344040 0.0344040 0.0344040), wk = 0.0026455 k( 146) = ( -0.0275232 0.0275232 0.0275232), wk = 0.0026455 k( 147) = ( -0.0206424 0.0206424 0.0206424), wk = 0.0026455 k( 148) = ( -0.0137616 0.0137616 0.0137616), wk = 0.0026455 k( 149) = ( -0.0068808 0.0068808 0.0068808), wk = 0.0026455 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 152) = ( 0.0104167 0.0104167 -0.0104167), wk = 0.0026455 k( 153) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0026455 k( 154) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0026455 k( 155) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0026455 k( 156) = ( 0.0520833 0.0520833 -0.0520833), wk = 0.0026455 k( 157) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0026455 k( 158) = ( 0.0729167 0.0729167 -0.0729167), wk = 0.0026455 k( 159) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0026455 k( 160) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0026455 k( 161) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0026455 k( 162) = ( 0.1145833 0.1145833 -0.1145833), wk = 0.0026455 k( 163) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0026455 k( 164) = ( 0.1354167 0.1354167 -0.1354167), wk = 0.0026455 k( 165) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0026455 k( 166) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0026455 k( 167) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0026455 k( 168) = ( 0.1770833 0.1770833 -0.1770833), wk = 0.0026455 k( 169) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0026455 k( 170) = ( 0.1979167 0.1979167 -0.1979167), wk = 0.0026455 k( 171) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0026455 k( 172) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0026455 k( 173) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0026455 k( 174) = ( 0.2395833 0.2395833 -0.2395833), wk = 0.0026455 k( 175) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0026455 k( 176) = ( 0.2604167 0.2604167 -0.2604167), wk = 0.0026455 k( 177) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0026455 k( 178) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0026455 k( 179) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0026455 k( 180) = ( 0.3020833 0.3020833 -0.3020833), wk = 0.0026455 k( 181) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0026455 k( 182) = ( 0.3229167 0.3229167 -0.3229167), wk = 0.0026455 k( 183) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0026455 k( 184) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0026455 k( 185) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0026455 k( 186) = ( 0.3645833 0.3645833 -0.3645833), wk = 0.0026455 k( 187) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0026455 k( 188) = ( 0.3854167 0.3854167 -0.3854167), wk = 0.0026455 k( 189) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0026455 k( 190) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0026455 k( 191) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0026455 k( 192) = ( 0.4270833 0.4270833 -0.4270833), wk = 0.0026455 k( 193) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0026455 k( 194) = ( 0.4479167 0.4479167 -0.4479167), wk = 0.0026455 k( 195) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0026455 k( 196) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0026455 k( 197) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0026455 k( 198) = ( 0.4895833 0.4895833 -0.4895833), wk = 0.0026455 k( 199) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026455 k( 200) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026455 k( 201) = ( 0.4932286 0.5067713 -0.4932286), wk = 0.0026455 k( 202) = ( 0.4864573 0.5135427 -0.4864573), wk = 0.0026455 k( 203) = ( 0.4796860 0.5203140 -0.4796860), wk = 0.0026455 k( 204) = ( 0.4729146 0.5270854 -0.4729146), wk = 0.0026455 k( 205) = ( 0.4661433 0.5338567 -0.4661433), wk = 0.0026455 k( 206) = ( 0.4593719 0.5406281 -0.4593719), wk = 0.0026455 k( 207) = ( 0.4526006 0.5473994 -0.4526006), wk = 0.0026455 k( 208) = ( 0.4458292 0.5541708 -0.4458292), wk = 0.0026455 k( 209) = ( 0.4390579 0.5609421 -0.4390579), wk = 0.0026455 k( 210) = ( 0.4322865 0.5677135 -0.4322865), wk = 0.0026455 k( 211) = ( 0.4255152 0.5744848 -0.4255152), wk = 0.0026455 k( 212) = ( 0.4187438 0.5812562 -0.4187438), wk = 0.0026455 k( 213) = ( 0.4119725 0.5880275 -0.4119725), wk = 0.0026455 k( 214) = ( 0.4052011 0.5947989 -0.4052011), wk = 0.0026455 k( 215) = ( 0.3984298 0.6015702 -0.3984298), wk = 0.0026455 k( 216) = ( 0.3916584 0.6083416 -0.3916584), wk = 0.0026455 k( 217) = ( 0.3848871 0.6151129 -0.3848871), wk = 0.0026455 k( 218) = ( 0.3781157 0.6218842 -0.3781157), wk = 0.0026455 k( 219) = ( 0.3713444 0.6286556 -0.3713444), wk = 0.0026455 k( 220) = ( 0.3645731 0.6354269 -0.3645730), wk = 0.0026455 k( 221) = ( 0.3578017 0.6421983 -0.3578017), wk = 0.0026455 k( 222) = ( 0.3578017 0.6421983 -0.3578017), wk = 0.0026455 k( 223) = ( 0.3454637 0.6372949 -0.3454637), wk = 0.0026455 k( 224) = ( 0.3331257 0.6323915 -0.3331257), wk = 0.0026455 k( 225) = ( 0.3207877 0.6274881 -0.3207877), wk = 0.0026455 k( 226) = ( 0.3084498 0.6225847 -0.3084497), wk = 0.0026455 k( 227) = ( 0.2961118 0.6176813 -0.2961118), wk = 0.0026455 k( 228) = ( 0.2837738 0.6127780 -0.2837738), wk = 0.0026455 k( 229) = ( 0.2714358 0.6078746 -0.2714358), wk = 0.0026455 k( 230) = ( 0.2590978 0.6029712 -0.2590978), wk = 0.0026455 k( 231) = ( 0.2467598 0.5980678 -0.2467598), wk = 0.0026455 k( 232) = ( 0.2344218 0.5931644 -0.2344218), wk = 0.0026455 k( 233) = ( 0.2220838 0.5882610 -0.2220838), wk = 0.0026455 k( 234) = ( 0.2097458 0.5833576 -0.2097458), wk = 0.0026455 k( 235) = ( 0.1974078 0.5784542 -0.1974078), wk = 0.0026455 k( 236) = ( 0.1850699 0.5735508 -0.1850699), wk = 0.0026455 k( 237) = ( 0.1727319 0.5686475 -0.1727319), wk = 0.0026455 k( 238) = ( 0.1603939 0.5637441 -0.1603939), wk = 0.0026455 k( 239) = ( 0.1480559 0.5588407 -0.1480559), wk = 0.0026455 k( 240) = ( 0.1357179 0.5539373 -0.1357179), wk = 0.0026455 k( 241) = ( 0.1233799 0.5490339 -0.1233799), wk = 0.0026455 k( 242) = ( 0.1110419 0.5441305 -0.1110419), wk = 0.0026455 k( 243) = ( 0.0987039 0.5392271 -0.0987039), wk = 0.0026455 k( 244) = ( 0.0863659 0.5343237 -0.0863659), wk = 0.0026455 k( 245) = ( 0.0740279 0.5294203 -0.0740279), wk = 0.0026455 k( 246) = ( 0.0616900 0.5245169 -0.0616900), wk = 0.0026455 k( 247) = ( 0.0493520 0.5196136 -0.0493520), wk = 0.0026455 k( 248) = ( 0.0370140 0.5147102 -0.0370140), wk = 0.0026455 k( 249) = ( 0.0246760 0.5098068 -0.0246760), wk = 0.0026455 k( 250) = ( 0.0123380 0.5049034 -0.0123380), wk = 0.0026455 k( 251) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026455 k( 252) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026455 k( 253) = ( 0.0067568 0.4932432 0.0067568), wk = 0.0026455 k( 254) = ( 0.0135135 0.4864865 0.0135135), wk = 0.0026455 k( 255) = ( 0.0202703 0.4797297 0.0202703), wk = 0.0026455 k( 256) = ( 0.0270270 0.4729730 0.0270270), wk = 0.0026455 k( 257) = ( 0.0337838 0.4662162 0.0337838), wk = 0.0026455 k( 258) = ( 0.0405405 0.4594595 0.0405405), wk = 0.0026455 k( 259) = ( 0.0472973 0.4527027 0.0472973), wk = 0.0026455 k( 260) = ( 0.0540540 0.4459459 0.0540541), wk = 0.0026455 k( 261) = ( 0.0608108 0.4391892 0.0608108), wk = 0.0026455 k( 262) = ( 0.0675676 0.4324324 0.0675676), wk = 0.0026455 k( 263) = ( 0.0743243 0.4256757 0.0743243), wk = 0.0026455 k( 264) = ( 0.0810811 0.4189189 0.0810811), wk = 0.0026455 k( 265) = ( 0.0878378 0.4121622 0.0878378), wk = 0.0026455 k( 266) = ( 0.0945946 0.4054054 0.0945946), wk = 0.0026455 k( 267) = ( 0.1013514 0.3986486 0.1013514), wk = 0.0026455 k( 268) = ( 0.1081081 0.3918919 0.1081081), wk = 0.0026455 k( 269) = ( 0.1148649 0.3851351 0.1148649), wk = 0.0026455 k( 270) = ( 0.1216216 0.3783784 0.1216216), wk = 0.0026455 k( 271) = ( 0.1283784 0.3716216 0.1283784), wk = 0.0026455 k( 272) = ( 0.1351351 0.3648649 0.1351351), wk = 0.0026455 k( 273) = ( 0.1418919 0.3581081 0.1418919), wk = 0.0026455 k( 274) = ( 0.1486486 0.3513513 0.1486487), wk = 0.0026455 k( 275) = ( 0.1554054 0.3445946 0.1554054), wk = 0.0026455 k( 276) = ( 0.1621622 0.3378378 0.1621622), wk = 0.0026455 k( 277) = ( 0.1689189 0.3310811 0.1689189), wk = 0.0026455 k( 278) = ( 0.1756757 0.3243243 0.1756757), wk = 0.0026455 k( 279) = ( 0.1824324 0.3175676 0.1824324), wk = 0.0026455 k( 280) = ( 0.1891892 0.3108108 0.1891892), wk = 0.0026455 k( 281) = ( 0.1959460 0.3040540 0.1959460), wk = 0.0026455 k( 282) = ( 0.2027027 0.2972973 0.2027027), wk = 0.0026455 k( 283) = ( 0.2094595 0.2905405 0.2094595), wk = 0.0026455 k( 284) = ( 0.2162162 0.2837838 0.2162162), wk = 0.0026455 k( 285) = ( 0.2229730 0.2770270 0.2229730), wk = 0.0026455 k( 286) = ( 0.2297297 0.2702703 0.2297297), wk = 0.0026455 k( 287) = ( 0.2364865 0.2635135 0.2364865), wk = 0.0026455 k( 288) = ( 0.2432432 0.2567568 0.2432432), wk = 0.0026455 k( 289) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026455 k( 290) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026455 k( 291) = ( 0.2575758 0.2575758 0.2358908), wk = 0.0026455 k( 292) = ( 0.2651515 0.2651515 0.2217816), wk = 0.0026455 k( 293) = ( 0.2727273 0.2727273 0.2076724), wk = 0.0026455 k( 294) = ( 0.2803030 0.2803030 0.1935632), wk = 0.0026455 k( 295) = ( 0.2878788 0.2878788 0.1794540), wk = 0.0026455 k( 296) = ( 0.2954545 0.2954545 0.1653448), wk = 0.0026455 k( 297) = ( 0.3030303 0.3030303 0.1512356), wk = 0.0026455 k( 298) = ( 0.3106061 0.3106061 0.1371264), wk = 0.0026455 k( 299) = ( 0.3181818 0.3181818 0.1230172), wk = 0.0026455 k( 300) = ( 0.3257576 0.3257576 0.1089081), wk = 0.0026455 k( 301) = ( 0.3333333 0.3333333 0.0947989), wk = 0.0026455 k( 302) = ( 0.3409091 0.3409091 0.0806897), wk = 0.0026455 k( 303) = ( 0.3484849 0.3484849 0.0665805), wk = 0.0026455 k( 304) = ( 0.3560606 0.3560606 0.0524713), wk = 0.0026455 k( 305) = ( 0.3636364 0.3636364 0.0383621), wk = 0.0026455 k( 306) = ( 0.3712121 0.3712121 0.0242529), wk = 0.0026455 k( 307) = ( 0.3787879 0.3787879 0.0101437), wk = 0.0026455 k( 308) = ( 0.3863636 0.3863636 -0.0039655), wk = 0.0026455 k( 309) = ( 0.3939394 0.3939394 -0.0180747), wk = 0.0026455 k( 310) = ( 0.4015151 0.4015151 -0.0321839), wk = 0.0026455 k( 311) = ( 0.4090909 0.4090909 -0.0462931), wk = 0.0026455 k( 312) = ( 0.4166667 0.4166667 -0.0604023), wk = 0.0026455 k( 313) = ( 0.4242424 0.4242424 -0.0745115), wk = 0.0026455 k( 314) = ( 0.4318182 0.4318182 -0.0886207), wk = 0.0026455 k( 315) = ( 0.4393939 0.4393939 -0.1027299), wk = 0.0026455 k( 316) = ( 0.4469697 0.4469697 -0.1168390), wk = 0.0026455 k( 317) = ( 0.4545455 0.4545454 -0.1309482), wk = 0.0026455 k( 318) = ( 0.4621212 0.4621212 -0.1450574), wk = 0.0026455 k( 319) = ( 0.4696970 0.4696970 -0.1591666), wk = 0.0026455 k( 320) = ( 0.4772727 0.4772727 -0.1732758), wk = 0.0026455 k( 321) = ( 0.4848485 0.4848485 -0.1873850), wk = 0.0026455 k( 322) = ( 0.4924242 0.4924242 -0.2014942), wk = 0.0026455 k( 323) = ( 0.5000000 0.5000000 -0.2156034), wk = 0.0026455 k( 324) = ( 0.5000000 0.5000000 -0.2156034), wk = 0.0026455 k( 325) = ( 0.5000000 0.5000000 -0.2254102), wk = 0.0026455 k( 326) = ( 0.5000000 0.5000000 -0.2352170), wk = 0.0026455 k( 327) = ( 0.5000000 0.5000000 -0.2450237), wk = 0.0026455 k( 328) = ( 0.5000000 0.5000000 -0.2548305), wk = 0.0026455 k( 329) = ( 0.5000000 0.5000000 -0.2646373), wk = 0.0026455 k( 330) = ( 0.5000000 0.5000000 -0.2744441), wk = 0.0026455 k( 331) = ( 0.5000000 0.5000000 -0.2842509), wk = 0.0026455 k( 332) = ( 0.5000000 0.5000000 -0.2940576), wk = 0.0026455 k( 333) = ( 0.5000000 0.5000000 -0.3038644), wk = 0.0026455 k( 334) = ( 0.5000000 0.5000000 -0.3136712), wk = 0.0026455 k( 335) = ( 0.5000000 0.5000000 -0.3234780), wk = 0.0026455 k( 336) = ( 0.5000000 0.5000000 -0.3332848), wk = 0.0026455 k( 337) = ( 0.5000000 0.5000000 -0.3430915), wk = 0.0026455 k( 338) = ( 0.5000000 0.5000000 -0.3528983), wk = 0.0026455 k( 339) = ( 0.5000000 0.5000000 -0.3627051), wk = 0.0026455 k( 340) = ( 0.5000000 0.5000000 -0.3725119), wk = 0.0026455 k( 341) = ( 0.5000000 0.5000000 -0.3823186), wk = 0.0026455 k( 342) = ( 0.5000000 0.5000000 -0.3921254), wk = 0.0026455 k( 343) = ( 0.5000000 0.5000000 -0.4019322), wk = 0.0026455 k( 344) = ( 0.5000000 0.5000000 -0.4117390), wk = 0.0026455 k( 345) = ( 0.5000000 0.5000000 -0.4215458), wk = 0.0026455 k( 346) = ( 0.5000000 0.5000000 -0.4313525), wk = 0.0026455 k( 347) = ( 0.5000000 0.5000000 -0.4411593), wk = 0.0026455 k( 348) = ( 0.5000000 0.5000000 -0.4509661), wk = 0.0026455 k( 349) = ( 0.5000000 0.5000000 -0.4607729), wk = 0.0026455 k( 350) = ( 0.5000000 0.5000000 -0.4705797), wk = 0.0026455 k( 351) = ( 0.5000000 0.5000000 -0.4803864), wk = 0.0026455 k( 352) = ( 0.5000000 0.5000000 -0.4901932), wk = 0.0026455 k( 353) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026455 k( 354) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 355) = ( 0.0104167 0.0104167 0.4895833), wk = 0.0026455 k( 356) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0026455 k( 357) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0026455 k( 358) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0026455 k( 359) = ( 0.0520833 0.0520833 0.4479167), wk = 0.0026455 k( 360) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0026455 k( 361) = ( 0.0729167 0.0729167 0.4270833), wk = 0.0026455 k( 362) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0026455 k( 363) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0026455 k( 364) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0026455 k( 365) = ( 0.1145833 0.1145833 0.3854167), wk = 0.0026455 k( 366) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0026455 k( 367) = ( 0.1354167 0.1354167 0.3645833), wk = 0.0026455 k( 368) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0026455 k( 369) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0026455 k( 370) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0026455 k( 371) = ( 0.1770833 0.1770833 0.3229167), wk = 0.0026455 k( 372) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0026455 k( 373) = ( 0.1979167 0.1979167 0.3020833), wk = 0.0026455 k( 374) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0026455 k( 375) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0026455 k( 376) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0026455 k( 377) = ( 0.2395833 0.2395833 0.2604167), wk = 0.0026455 k( 378) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026455 Dense grid: 42337 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 18571 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 108, 40) NL pseudopotentials 0.09 Mb ( 54, 104) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 882) G-vector shells 0.00 Mb ( 408) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.26 Mb ( 108, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.13 Mb ( 104, 2, 40) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./BPO4.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.0 secs Computing kpt #: 2 total cpu time spent up to now is 45.1 secs Computing kpt #: 3 total cpu time spent up to now is 46.2 secs Computing kpt #: 4 total cpu time spent up to now is 47.3 secs Computing kpt #: 5 total cpu time spent up to now is 48.4 secs Computing kpt #: 6 total cpu time spent up to now is 49.5 secs Computing kpt #: 7 total cpu time spent up to now is 50.7 secs Computing kpt #: 8 total cpu time spent up to now is 51.9 secs Computing kpt #: 9 total cpu time spent up to now is 53.1 secs Computing kpt #: 10 total cpu time spent up to now is 54.3 secs Computing kpt #: 11 total cpu time spent up to now is 55.5 secs Computing kpt #: 12 total cpu time spent up to now is 56.7 secs Computing kpt #: 13 total cpu time spent up to now is 57.8 secs Computing kpt #: 14 total cpu time spent up to now is 59.0 secs Computing kpt #: 15 total cpu time spent up to now is 60.2 secs Computing kpt #: 16 total cpu time spent up to now is 61.3 secs Computing kpt #: 17 total cpu time spent up to now is 62.5 secs Computing kpt #: 18 total cpu time spent up to now is 63.6 secs Computing kpt #: 19 total cpu time spent up to now is 64.8 secs Computing kpt #: 20 total cpu time spent up to now is 66.0 secs Computing kpt #: 21 total cpu time spent up to now is 67.2 secs Computing kpt #: 22 total cpu time spent up to now is 68.3 secs Computing kpt #: 23 total cpu time spent up to now is 69.5 secs Computing kpt #: 24 total cpu time spent up to now is 70.7 secs Computing kpt #: 25 total cpu time spent up to now is 71.9 secs Computing kpt #: 26 total cpu time spent up to now is 73.0 secs Computing kpt #: 27 total cpu time spent up to now is 74.2 secs Computing kpt #: 28 total cpu time spent up to now is 75.4 secs Computing kpt #: 29 total cpu time spent up to now is 76.6 secs Computing kpt #: 30 total cpu time spent up to now is 77.8 secs Computing kpt #: 31 total cpu time spent up to now is 79.0 secs Computing kpt #: 32 total cpu time spent up to now is 80.3 secs Computing kpt #: 33 total cpu time spent up to now is 81.5 secs Computing kpt #: 34 total cpu time spent up to now is 82.7 secs Computing kpt #: 35 total cpu time spent up to now is 83.9 secs Computing kpt #: 36 total cpu time spent up to now is 85.1 secs Computing kpt #: 37 total cpu time spent up to now is 86.3 secs Computing kpt #: 38 total cpu time spent up to now is 87.6 secs Computing kpt #: 39 total cpu time spent up to now is 88.9 secs Computing kpt #: 40 total cpu time spent up to now is 90.1 secs Computing kpt #: 41 total cpu time spent up to now is 91.4 secs Computing kpt #: 42 total cpu time spent up to now is 92.6 secs Computing kpt #: 43 total cpu time spent up to now is 93.9 secs Computing kpt #: 44 total cpu time spent up to now is 95.1 secs Computing kpt #: 45 total cpu time spent up to now is 96.4 secs Computing kpt #: 46 total cpu time spent up to now is 97.6 secs Computing kpt #: 47 total cpu time spent up to now is 98.9 secs Computing kpt #: 48 total cpu time spent up to now is 100.1 secs Computing kpt #: 49 total cpu time spent up to now is 101.3 secs Computing kpt #: 50 total cpu time spent up to now is 102.6 secs Computing kpt #: 51 total cpu time spent up to now is 103.8 secs Computing kpt #: 52 total cpu time spent up to now is 105.0 secs Computing kpt #: 53 total cpu time spent up to now is 106.2 secs Computing kpt #: 54 total cpu time spent up to now is 107.4 secs Computing kpt #: 55 total cpu time spent up to now is 108.7 secs Computing kpt #: 56 total cpu time spent up to now is 110.1 secs Computing kpt #: 57 total cpu time spent up to now is 111.3 secs Computing kpt #: 58 total cpu time spent up to now is 112.6 secs Computing kpt #: 59 total cpu time spent up to now is 113.8 secs Computing kpt #: 60 total cpu time spent up to now is 115.2 secs Computing kpt #: 61 total cpu time spent up to now is 116.5 secs Computing kpt #: 62 total cpu time spent up to now is 117.9 secs Computing kpt #: 63 total cpu time spent up to now is 119.2 secs Computing kpt #: 64 total cpu time spent up to now is 120.4 secs Computing kpt #: 65 total cpu time spent up to now is 121.7 secs Computing kpt #: 66 total cpu time spent up to now is 122.9 secs Computing kpt #: 67 total cpu time spent up to now is 124.2 secs Computing kpt #: 68 total cpu time spent up to now is 125.5 secs Computing kpt #: 69 total cpu time spent up to now is 126.6 secs Computing kpt #: 70 total cpu time spent up to now is 127.8 secs Computing kpt #: 71 total cpu time spent up to now is 129.0 secs Computing kpt #: 72 total cpu time spent up to now is 130.2 secs Computing kpt #: 73 total cpu time spent up to now is 131.3 secs Computing kpt #: 74 total cpu time spent up to now is 132.5 secs Computing kpt #: 75 total cpu time spent up to now is 133.6 secs Computing kpt #: 76 total cpu time spent up to now is 134.7 secs Computing kpt #: 77 total cpu time spent up to now is 135.8 secs Computing kpt #: 78 total cpu time spent up to now is 137.0 secs Computing kpt #: 79 total cpu time spent up to now is 138.2 secs Computing kpt #: 80 total cpu time spent up to now is 139.3 secs Computing kpt #: 81 total cpu time spent up to now is 140.4 secs Computing kpt #: 82 total cpu time spent up to now is 141.5 secs Computing kpt #: 83 total cpu time spent up to now is 142.6 secs Computing kpt #: 84 total cpu time spent up to now is 143.8 secs Computing kpt #: 85 total cpu time spent up to now is 144.9 secs Computing kpt #: 86 total cpu time spent up to now is 146.0 secs Computing kpt #: 87 total cpu time spent up to now is 147.1 secs Computing kpt #: 88 total cpu time spent up to now is 148.3 secs Computing kpt #: 89 total cpu time spent up to now is 149.4 secs Computing kpt #: 90 total cpu time spent up to now is 150.5 secs Computing kpt #: 91 total cpu time spent up to now is 151.6 secs Computing kpt #: 92 total cpu time spent up to now is 152.7 secs Computing kpt #: 93 total cpu time spent up to now is 153.9 secs Computing kpt #: 94 total cpu time spent up to now is 155.0 secs Computing kpt #: 95 total cpu time spent up to now is 156.1 secs Computing kpt #: 96 total cpu time spent up to now is 157.2 secs Computing kpt #: 97 total cpu time spent up to now is 158.3 secs Computing kpt #: 98 total cpu time spent up to now is 159.4 secs Computing kpt #: 99 total cpu time spent up to now is 160.5 secs Computing kpt #: 100 total cpu time spent up to now is 161.6 secs Computing kpt #: 101 total cpu time spent up to now is 162.7 secs Computing kpt #: 102 total cpu time spent up to now is 163.8 secs Computing kpt #: 103 total cpu time spent up to now is 165.0 secs Computing kpt #: 104 total cpu time spent up to now is 166.2 secs Computing kpt #: 105 total cpu time spent up to now is 167.3 secs Computing kpt #: 106 total cpu time spent up to now is 168.4 secs Computing kpt #: 107 total cpu time spent up to now is 169.6 secs Computing kpt #: 108 total cpu time spent up to now is 170.7 secs Computing kpt #: 109 total cpu time spent up to now is 171.9 secs Computing kpt #: 110 total cpu time spent up to now is 173.1 secs Computing kpt #: 111 total cpu time spent up to now is 174.3 secs Computing kpt #: 112 total cpu time spent up to now is 175.4 secs Computing kpt #: 113 total cpu time spent up to now is 176.6 secs Computing kpt #: 114 total cpu time spent up to now is 177.8 secs Computing kpt #: 115 total cpu time spent up to now is 179.0 secs Computing kpt #: 116 total cpu time spent up to now is 180.2 secs Computing kpt #: 117 total cpu time spent up to now is 181.3 secs Computing kpt #: 118 total cpu time spent up to now is 182.5 secs Computing kpt #: 119 total cpu time spent up to now is 183.6 secs Computing kpt #: 120 total cpu time spent up to now is 184.9 secs Computing kpt #: 121 total cpu time spent up to now is 186.1 secs Computing kpt #: 122 total cpu time spent up to now is 187.2 secs Computing kpt #: 123 total cpu time spent up to now is 188.4 secs Computing kpt #: 124 total cpu time spent up to now is 189.6 secs Computing kpt #: 125 total cpu time spent up to now is 190.8 secs Computing kpt #: 126 total cpu time spent up to now is 192.0 secs Computing kpt #: 127 total cpu time spent up to now is 193.1 secs Computing kpt #: 128 total cpu time spent up to now is 194.3 secs Computing kpt #: 129 total cpu time spent up to now is 195.5 secs Computing kpt #: 130 total cpu time spent up to now is 196.7 secs Computing kpt #: 131 total cpu time spent up to now is 197.9 secs Computing kpt #: 132 total cpu time spent up to now is 199.1 secs Computing kpt #: 133 total cpu time spent up to now is 200.2 secs Computing kpt #: 134 total cpu time spent up to now is 201.4 secs Computing kpt #: 135 total cpu time spent up to now is 202.6 secs Computing kpt #: 136 total cpu time spent up to now is 203.8 secs Computing kpt #: 137 total cpu time spent up to now is 205.0 secs Computing kpt #: 138 total cpu time spent up to now is 206.1 secs Computing kpt #: 139 total cpu time spent up to now is 207.3 secs Computing kpt #: 140 total cpu time spent up to now is 208.5 secs Computing kpt #: 141 total cpu time spent up to now is 209.6 secs Computing kpt #: 142 total cpu time spent up to now is 210.8 secs Computing kpt #: 143 total cpu time spent up to now is 211.9 secs Computing kpt #: 144 total cpu time spent up to now is 213.0 secs Computing kpt #: 145 total cpu time spent up to now is 214.2 secs Computing kpt #: 146 total cpu time spent up to now is 215.3 secs Computing kpt #: 147 total cpu time spent up to now is 216.4 secs Computing kpt #: 148 total cpu time spent up to now is 217.6 secs Computing kpt #: 149 total cpu time spent up to now is 218.7 secs Computing kpt #: 150 total cpu time spent up to now is 219.8 secs Computing kpt #: 151 total cpu time spent up to now is 220.9 secs Computing kpt #: 152 total cpu time spent up to now is 222.0 secs Computing kpt #: 153 total cpu time spent up to now is 223.0 secs Computing kpt #: 154 total cpu time spent up to now is 224.1 secs Computing kpt #: 155 total cpu time spent up to now is 225.2 secs Computing kpt #: 156 total cpu time spent up to now is 226.3 secs Computing kpt #: 157 total cpu time spent up to now is 227.4 secs Computing kpt #: 158 total cpu time spent up to now is 228.4 secs Computing kpt #: 159 total cpu time spent up to now is 229.5 secs Computing kpt #: 160 total cpu time spent up to now is 230.5 secs Computing kpt #: 161 total cpu time spent up to now is 231.6 secs Computing kpt #: 162 total cpu time spent up to now is 232.7 secs Computing kpt #: 163 total cpu time spent up to now is 233.8 secs Computing kpt #: 164 total cpu time spent up to now is 234.9 secs Computing kpt #: 165 total cpu time spent up to now is 235.9 secs Computing kpt #: 166 total cpu time spent up to now is 236.9 secs Computing kpt #: 167 total cpu time spent up to now is 238.0 secs Computing kpt #: 168 total cpu time spent up to now is 239.0 secs Computing kpt #: 169 total cpu time spent up to now is 239.9 secs Computing kpt #: 170 total cpu time spent up to now is 240.8 secs Computing kpt #: 171 total cpu time spent up to now is 241.7 secs Computing kpt #: 172 total cpu time spent up to now is 242.6 secs Computing kpt #: 173 total cpu time spent up to now is 243.6 secs Computing kpt #: 174 total cpu time spent up to now is 244.6 secs Computing kpt #: 175 total cpu time spent up to now is 245.7 secs Computing kpt #: 176 total cpu time spent up to now is 246.7 secs Computing kpt #: 177 total cpu time spent up to now is 247.7 secs Computing kpt #: 178 total cpu time spent up to now is 248.7 secs Computing kpt #: 179 total cpu time spent up to now is 249.6 secs Computing kpt #: 180 total cpu time spent up to now is 250.6 secs Computing kpt #: 181 total cpu time spent up to now is 251.6 secs Computing kpt #: 182 total cpu time spent up to now is 252.6 secs Computing kpt #: 183 total cpu time spent up to now is 253.6 secs Computing kpt #: 184 total cpu time spent up to now is 254.6 secs Computing kpt #: 185 total cpu time spent up to now is 255.6 secs Computing kpt #: 186 total cpu time spent up to now is 256.6 secs Computing kpt #: 187 total cpu time spent up to now is 257.6 secs Computing kpt #: 188 total cpu time spent up to now is 258.7 secs Computing kpt #: 189 total cpu time spent up to now is 259.6 secs Computing kpt #: 190 total cpu time spent up to now is 260.6 secs Computing kpt #: 191 total cpu time spent up to now is 261.6 secs Computing kpt #: 192 total cpu time spent up to now is 262.6 secs Computing kpt #: 193 total cpu time spent up to now is 263.7 secs Computing kpt #: 194 total cpu time spent up to now is 264.7 secs Computing kpt #: 195 total cpu time spent up to now is 265.7 secs Computing kpt #: 196 total cpu time spent up to now is 266.6 secs Computing kpt #: 197 total cpu time spent up to now is 267.6 secs Computing kpt #: 198 total cpu time spent up to now is 268.6 secs Computing kpt #: 199 total cpu time spent up to now is 269.6 secs Computing kpt #: 200 total cpu time spent up to now is 270.5 secs Computing kpt #: 201 total cpu time spent up to now is 271.5 secs Computing kpt #: 202 total cpu time spent up to now is 272.5 secs Computing kpt #: 203 total cpu time spent up to now is 273.4 secs Computing kpt #: 204 total cpu time spent up to now is 274.4 secs Computing kpt #: 205 total cpu time spent up to now is 275.5 secs Computing kpt #: 206 total cpu time spent up to now is 276.5 secs Computing kpt #: 207 total cpu time spent up to now is 277.5 secs Computing kpt #: 208 total cpu time spent up to now is 278.5 secs Computing kpt #: 209 total cpu time spent up to now is 279.6 secs Computing kpt #: 210 total cpu time spent up to now is 280.6 secs Computing kpt #: 211 total cpu time spent up to now is 281.7 secs Computing kpt #: 212 total cpu time spent up to now is 282.7 secs Computing kpt #: 213 total cpu time spent up to now is 283.8 secs Computing kpt #: 214 total cpu time spent up to now is 284.8 secs Computing kpt #: 215 total cpu time spent up to now is 285.9 secs Computing kpt #: 216 total cpu time spent up to now is 287.0 secs Computing kpt #: 217 total cpu time spent up to now is 288.1 secs Computing kpt #: 218 total cpu time spent up to now is 289.2 secs Computing kpt #: 219 total cpu time spent up to now is 290.3 secs Computing kpt #: 220 total cpu time spent up to now is 291.4 secs Computing kpt #: 221 total cpu time spent up to now is 292.6 secs Computing kpt #: 222 total cpu time spent up to now is 293.7 secs Computing kpt #: 223 total cpu time spent up to now is 294.8 secs Computing kpt #: 224 total cpu time spent up to now is 295.9 secs Computing kpt #: 225 total cpu time spent up to now is 296.9 secs Computing kpt #: 226 total cpu time spent up to now is 298.1 secs Computing kpt #: 227 total cpu time spent up to now is 299.2 secs Computing kpt #: 228 total cpu time spent up to now is 300.4 secs Computing kpt #: 229 total cpu time spent up to now is 301.5 secs Computing kpt #: 230 total cpu time spent up to now is 302.7 secs Computing kpt #: 231 total cpu time spent up to now is 303.8 secs Computing kpt #: 232 total cpu time spent up to now is 305.0 secs Computing kpt #: 233 total cpu time spent up to now is 306.7 secs Computing kpt #: 234 total cpu time spent up to now is 308.5 secs Computing kpt #: 235 total cpu time spent up to now is 310.2 secs Computing kpt #: 236 total cpu time spent up to now is 311.7 secs Computing kpt #: 237 total cpu time spent up to now is 313.1 secs Computing kpt #: 238 total cpu time spent up to now is 314.2 secs Computing kpt #: 239 total cpu time spent up to now is 315.3 secs Computing kpt #: 240 total cpu time spent up to now is 316.5 secs Computing kpt #: 241 total cpu time spent up to now is 317.7 secs Computing kpt #: 242 total cpu time spent up to now is 318.8 secs Computing kpt #: 243 total cpu time spent up to now is 320.0 secs Computing kpt #: 244 total cpu time spent up to now is 321.2 secs Computing kpt #: 245 total cpu time spent up to now is 322.4 secs Computing kpt #: 246 total cpu time spent up to now is 323.5 secs Computing kpt #: 247 total cpu time spent up to now is 324.6 secs Computing kpt #: 248 total cpu time spent up to now is 325.8 secs Computing kpt #: 249 total cpu time spent up to now is 326.9 secs Computing kpt #: 250 total cpu time spent up to now is 328.2 secs Computing kpt #: 251 total cpu time spent up to now is 329.3 secs Computing kpt #: 252 total cpu time spent up to now is 330.4 secs Computing kpt #: 253 total cpu time spent up to now is 331.6 secs Computing kpt #: 254 total cpu time spent up to now is 332.8 secs Computing kpt #: 255 total cpu time spent up to now is 333.9 secs Computing kpt #: 256 total cpu time spent up to now is 335.1 secs Computing kpt #: 257 total cpu time spent up to now is 336.3 secs Computing kpt #: 258 total cpu time spent up to now is 337.4 secs Computing kpt #: 259 total cpu time spent up to now is 338.6 secs Computing kpt #: 260 total cpu time spent up to now is 339.7 secs Computing kpt #: 261 total cpu time spent up to now is 340.9 secs Computing kpt #: 262 total cpu time spent up to now is 342.1 secs Computing kpt #: 263 total cpu time spent up to now is 343.3 secs Computing kpt #: 264 total cpu time spent up to now is 344.5 secs Computing kpt #: 265 total cpu time spent up to now is 345.6 secs Computing kpt #: 266 total cpu time spent up to now is 346.8 secs Computing kpt #: 267 total cpu time spent up to now is 348.0 secs Computing kpt #: 268 total cpu time spent up to now is 349.2 secs Computing kpt #: 269 total cpu time spent up to now is 350.3 secs Computing kpt #: 270 total cpu time spent up to now is 351.5 secs Computing kpt #: 271 total cpu time spent up to now is 352.6 secs Computing kpt #: 272 total cpu time spent up to now is 353.8 secs Computing kpt #: 273 total cpu time spent up to now is 354.9 secs Computing kpt #: 274 total cpu time spent up to now is 356.0 secs Computing kpt #: 275 total cpu time spent up to now is 357.1 secs Computing kpt #: 276 total cpu time spent up to now is 358.2 secs Computing kpt #: 277 total cpu time spent up to now is 359.3 secs Computing kpt #: 278 total cpu time spent up to now is 360.4 secs Computing kpt #: 279 total cpu time spent up to now is 361.5 secs Computing kpt #: 280 total cpu time spent up to now is 362.5 secs Computing kpt #: 281 total cpu time spent up to now is 363.6 secs Computing kpt #: 282 total cpu time spent up to now is 364.8 secs Computing kpt #: 283 total cpu time spent up to now is 365.9 secs Computing kpt #: 284 total cpu time spent up to now is 366.9 secs Computing kpt #: 285 total cpu time spent up to now is 367.9 secs Computing kpt #: 286 total cpu time spent up to now is 369.0 secs Computing kpt #: 287 total cpu time spent up to now is 370.1 secs Computing kpt #: 288 total cpu time spent up to now is 371.2 secs Computing kpt #: 289 total cpu time spent up to now is 372.3 secs Computing kpt #: 290 total cpu time spent up to now is 373.4 secs Computing kpt #: 291 total cpu time spent up to now is 374.5 secs Computing kpt #: 292 total cpu time spent up to now is 375.6 secs Computing kpt #: 293 total cpu time spent up to now is 376.7 secs Computing kpt #: 294 total cpu time spent up to now is 377.7 secs Computing kpt #: 295 total cpu time spent up to now is 378.8 secs Computing kpt #: 296 total cpu time spent up to now is 379.9 secs Computing kpt #: 297 total cpu time spent up to now is 381.0 secs Computing kpt #: 298 total cpu time spent up to now is 382.1 secs Computing kpt #: 299 total cpu time spent up to now is 383.2 secs Computing kpt #: 300 total cpu time spent up to now is 384.2 secs Computing kpt #: 301 total cpu time spent up to now is 385.3 secs Computing kpt #: 302 total cpu time spent up to now is 386.4 secs Computing kpt #: 303 total cpu time spent up to now is 387.5 secs Computing kpt #: 304 total cpu time spent up to now is 388.7 secs Computing kpt #: 305 total cpu time spent up to now is 389.8 secs Computing kpt #: 306 total cpu time spent up to now is 391.0 secs Computing kpt #: 307 total cpu time spent up to now is 392.1 secs Computing kpt #: 308 total cpu time spent up to now is 393.2 secs Computing kpt #: 309 total cpu time spent up to now is 394.4 secs Computing kpt #: 310 total cpu time spent up to now is 395.5 secs Computing kpt #: 311 total cpu time spent up to now is 396.7 secs Computing kpt #: 312 total cpu time spent up to now is 397.8 secs Computing kpt #: 313 total cpu time spent up to now is 399.0 secs Computing kpt #: 314 total cpu time spent up to now is 400.1 secs Computing kpt #: 315 total cpu time spent up to now is 401.3 secs Computing kpt #: 316 total cpu time spent up to now is 402.5 secs Computing kpt #: 317 total cpu time spent up to now is 403.6 secs Computing kpt #: 318 total cpu time spent up to now is 404.8 secs Computing kpt #: 319 total cpu time spent up to now is 406.0 secs Computing kpt #: 320 total cpu time spent up to now is 407.2 secs Computing kpt #: 321 total cpu time spent up to now is 408.3 secs Computing kpt #: 322 total cpu time spent up to now is 409.5 secs Computing kpt #: 323 total cpu time spent up to now is 410.6 secs Computing kpt #: 324 total cpu time spent up to now is 411.7 secs Computing kpt #: 325 total cpu time spent up to now is 412.8 secs Computing kpt #: 326 total cpu time spent up to now is 414.0 secs Computing kpt #: 327 total cpu time spent up to now is 415.0 secs Computing kpt #: 328 total cpu time spent up to now is 416.1 secs Computing kpt #: 329 total cpu time spent up to now is 417.2 secs Computing kpt #: 330 total cpu time spent up to now is 418.3 secs Computing kpt #: 331 total cpu time spent up to now is 419.4 secs Computing kpt #: 332 total cpu time spent up to now is 420.5 secs Computing kpt #: 333 total cpu time spent up to now is 421.6 secs Computing kpt #: 334 total cpu time spent up to now is 422.6 secs Computing kpt #: 335 total cpu time spent up to now is 423.7 secs Computing kpt #: 336 total cpu time spent up to now is 424.7 secs Computing kpt #: 337 total cpu time spent up to now is 425.7 secs Computing kpt #: 338 total cpu time spent up to now is 426.7 secs Computing kpt #: 339 total cpu time spent up to now is 427.8 secs Computing kpt #: 340 total cpu time spent up to now is 428.7 secs Computing kpt #: 341 total cpu time spent up to now is 429.8 secs Computing kpt #: 342 total cpu time spent up to now is 430.8 secs Computing kpt #: 343 total cpu time spent up to now is 431.9 secs Computing kpt #: 344 total cpu time spent up to now is 432.8 secs Computing kpt #: 345 total cpu time spent up to now is 433.7 secs Computing kpt #: 346 total cpu time spent up to now is 434.7 secs Computing kpt #: 347 total cpu time spent up to now is 435.6 secs Computing kpt #: 348 total cpu time spent up to now is 436.7 secs Computing kpt #: 349 total cpu time spent up to now is 437.7 secs Computing kpt #: 350 total cpu time spent up to now is 438.7 secs Computing kpt #: 351 total cpu time spent up to now is 439.7 secs Computing kpt #: 352 total cpu time spent up to now is 440.7 secs Computing kpt #: 353 total cpu time spent up to now is 441.7 secs Computing kpt #: 354 total cpu time spent up to now is 442.9 secs Computing kpt #: 355 total cpu time spent up to now is 444.1 secs Computing kpt #: 356 total cpu time spent up to now is 445.3 secs Computing kpt #: 357 total cpu time spent up to now is 446.5 secs Computing kpt #: 358 total cpu time spent up to now is 447.8 secs Computing kpt #: 359 total cpu time spent up to now is 449.0 secs Computing kpt #: 360 total cpu time spent up to now is 450.2 secs Computing kpt #: 361 total cpu time spent up to now is 451.4 secs Computing kpt #: 362 total cpu time spent up to now is 452.6 secs Computing kpt #: 363 total cpu time spent up to now is 453.8 secs Computing kpt #: 364 total cpu time spent up to now is 454.9 secs Computing kpt #: 365 total cpu time spent up to now is 456.0 secs Computing kpt #: 366 total cpu time spent up to now is 457.2 secs Computing kpt #: 367 total cpu time spent up to now is 458.3 secs Computing kpt #: 368 total cpu time spent up to now is 459.4 secs Computing kpt #: 369 total cpu time spent up to now is 460.5 secs Computing kpt #: 370 total cpu time spent up to now is 461.7 secs Computing kpt #: 371 total cpu time spent up to now is 462.8 secs Computing kpt #: 372 total cpu time spent up to now is 463.9 secs Computing kpt #: 373 total cpu time spent up to now is 465.0 secs Computing kpt #: 374 total cpu time spent up to now is 466.1 secs Computing kpt #: 375 total cpu time spent up to now is 467.3 secs Computing kpt #: 376 total cpu time spent up to now is 468.4 secs Computing kpt #: 377 total cpu time spent up to now is 469.5 secs Computing kpt #: 378 total cpu time spent up to now is 470.6 secs ethr = 3.13E-11, avg # of iterations = 34.1 total cpu time spent up to now is 470.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2317 PWs) bands (ev): -18.4445 -18.4445 -15.0697 -15.0697 -15.0640 -15.0640 -14.8621 -14.8621 -8.0334 -8.0334 -4.2485 -4.2485 -4.2421 -4.2421 -3.6138 -3.6138 -0.4644 -0.4644 0.5061 0.5061 1.3101 1.3101 1.5415 1.5415 1.5653 1.5653 1.6865 1.6865 2.6342 2.6342 2.6437 2.6437 10.4788 10.4788 11.5475 11.5475 13.7571 13.7571 13.7850 13.7850 k = 0.0000 0.0000 0.0144 ( 2309 PWs) bands (ev): -18.4440 -18.4439 -15.0704 -15.0702 -15.0646 -15.0646 -14.8624 -14.8622 -8.0322 -8.0322 -4.2490 -4.2486 -4.2422 -4.2421 -3.6129 -3.6123 -0.4651 -0.4648 0.5066 0.5067 1.3096 1.3100 1.5411 1.5412 1.5647 1.5649 1.6856 1.6856 2.6341 2.6343 2.6436 2.6439 10.4815 10.4815 11.5486 11.5492 13.7560 13.7564 13.7840 13.7842 k = 0.0000 0.0000 0.0288 ( 2313 PWs) bands (ev): -18.4423 -18.4423 -15.0729 -15.0725 -15.0659 -15.0658 -14.8629 -14.8626 -8.0284 -8.0284 -4.2516 -4.2506 -4.2410 -4.2406 -3.6099 -3.6087 -0.4670 -0.4664 0.5082 0.5084 1.3082 1.3090 1.5395 1.5398 1.5634 1.5637 1.6828 1.6829 2.6342 2.6345 2.6436 2.6443 10.4894 10.4894 11.5525 11.5537 13.7528 13.7536 13.7812 13.7817 k = 0.0000 0.0000 0.0432 ( 2317 PWs) bands (ev): -18.4395 -18.4395 -15.0777 -15.0772 -15.0671 -15.0669 -14.8637 -14.8632 -8.0221 -8.0220 -4.2570 -4.2556 -4.2376 -4.2369 -3.6046 -3.6029 -0.4702 -0.4691 0.5108 0.5111 1.3058 1.3071 1.5365 1.5372 1.5617 1.5622 1.6782 1.6784 2.6342 2.6347 2.6438 2.6449 10.5026 10.5026 11.5593 11.5611 13.7472 13.7483 13.7772 13.7780 k = 0.0000 0.0000 0.0576 ( 2319 PWs) bands (ev): -18.4356 -18.4356 -15.0850 -15.0844 -15.0682 -15.0679 -14.8648 -14.8642 -8.0133 -8.0132 -4.2650 -4.2632 -4.2321 -4.2312 -3.5972 -3.5950 -0.4744 -0.4731 0.5145 0.5149 1.3021 1.3038 1.5316 1.5331 1.5603 1.5609 1.6719 1.6725 2.6341 2.6349 2.6443 2.6458 10.5210 10.5210 11.5688 11.5713 13.7386 13.7399 13.7727 13.7740 k = 0.0000 0.0000 0.0720 ( 2323 PWs) bands (ev): -18.4306 -18.4306 -15.0945 -15.0938 -15.0694 -15.0689 -14.8663 -14.8655 -8.0020 -8.0019 -4.2751 -4.2730 -4.2248 -4.2237 -3.5879 -3.5852 -0.4799 -0.4782 0.5193 0.5198 1.2965 1.2988 1.5249 1.5274 1.5595 1.5604 1.6639 1.6652 2.6339 2.6349 2.6453 2.6471 10.5445 10.5445 11.5810 11.5841 13.7268 13.7281 13.7681 13.7699 k = 0.0000 0.0000 0.0864 ( 2325 PWs) bands (ev): -18.4245 -18.4245 -15.1061 -15.1053 -15.0706 -15.0701 -14.8680 -14.8671 -7.9882 -7.9882 -4.2872 -4.2848 -4.2159 -4.2145 -3.5768 -3.5736 -0.4864 -0.4844 0.5252 0.5258 1.2887 1.2915 1.5164 1.5202 1.5591 1.5610 1.6548 1.6572 2.6334 2.6348 2.6467 2.6489 10.5730 10.5730 11.5957 11.5995 13.7116 13.7131 13.7637 13.7662 k = 0.0000 0.0000 0.1009 ( 2323 PWs) bands (ev): -18.4173 -18.4173 -15.1197 -15.1189 -15.0720 -15.0714 -14.8701 -14.8691 -7.9721 -7.9720 -4.3010 -4.2984 -4.2053 -4.2038 -3.5640 -3.5603 -0.4942 -0.4918 0.5322 0.5329 1.2780 1.2814 1.5064 1.5117 1.5587 1.5624 1.6449 1.6491 2.6328 2.6344 2.6486 2.6511 10.6063 10.6064 11.6130 11.6175 13.6935 13.6951 13.7596 13.7627 k = 0.0000 0.0000 0.1153 ( 2321 PWs) bands (ev): -18.4090 -18.4090 -15.1353 -15.1345 -15.0736 -15.0729 -14.8725 -14.8714 -7.9535 -7.9535 -4.3165 -4.3137 -4.1932 -4.1914 -3.5497 -3.5457 -0.5030 -0.5003 0.5403 0.5411 1.2640 1.2681 1.4951 1.5022 1.5573 1.5641 1.6354 1.6422 2.6319 2.6339 2.6510 2.6538 10.6443 10.6444 11.6327 11.6378 13.6726 13.6743 13.7558 13.7595 k = 0.0000 0.0000 0.1297 ( 2315 PWs) bands (ev): -18.3997 -18.3996 -15.1529 -15.1519 -15.0753 -15.0745 -14.8753 -14.8740 -7.9327 -7.9326 -4.3335 -4.3305 -4.1794 -4.1774 -3.5341 -3.5296 -0.5129 -0.5099 0.5495 0.5504 1.2466 1.2511 1.4826 1.4916 1.5537 1.5645 1.6282 1.6381 2.6310 2.6332 2.6539 2.6569 10.6869 10.6870 11.6546 11.6604 13.6494 13.6512 13.7523 13.7567 k = 0.0000 0.0000 0.1441 ( 2319 PWs) bands (ev): -18.3892 -18.3892 -15.1722 -15.1713 -15.0772 -15.0763 -14.8783 -14.8770 -7.9095 -7.9095 -4.3519 -4.3487 -4.1642 -4.1619 -3.5173 -3.5125 -0.5238 -0.5205 0.5597 0.5607 1.2254 1.2303 1.4684 1.4796 1.5470 1.5617 1.6260 1.6384 2.6299 2.6325 2.6570 2.6603 10.7338 10.7340 11.6786 11.6850 13.6240 13.6258 13.7493 13.7543 k = 0.0000 0.0000 0.1585 ( 2323 PWs) bands (ev): -18.3777 -18.3777 -15.1933 -15.1924 -15.0793 -15.0782 -14.8817 -14.8803 -7.8842 -7.8841 -4.3716 -4.3682 -4.1474 -4.1449 -3.4994 -3.4943 -0.5357 -0.5321 0.5710 0.5721 1.2007 1.2057 1.4525 1.4656 1.5374 1.5546 1.6301 1.6435 2.6288 2.6316 2.6606 2.6641 10.7849 10.7850 11.7045 11.7116 13.5967 13.5987 13.7470 13.7526 k = 0.0000 0.0000 0.1729 ( 2321 PWs) bands (ev): -18.3651 -18.3651 -15.2161 -15.2152 -15.0815 -15.0803 -14.8855 -14.8839 -7.8566 -7.8565 -4.3924 -4.3889 -4.1291 -4.1264 -3.4806 -3.4752 -0.5485 -0.5446 0.5832 0.5845 1.1725 1.1776 1.4343 1.4490 1.5260 1.5444 1.6398 1.6531 2.6276 2.6308 2.6645 2.6683 10.8398 10.8400 11.7322 11.7400 13.5678 13.5698 13.7454 13.7518 k = 0.0000 0.0000 0.1873 ( 2321 PWs) bands (ev): -18.3515 -18.3515 -15.2406 -15.2396 -15.0838 -15.0826 -14.8895 -14.8879 -7.8270 -7.8269 -4.4143 -4.4107 -4.1095 -4.1065 -3.4610 -3.4553 -0.5623 -0.5580 0.5965 0.5978 1.1412 1.1462 1.4135 1.4292 1.5142 1.5330 1.6535 1.6663 2.6264 2.6298 2.6686 2.6727 10.8984 10.8987 11.7614 11.7699 13.5376 13.5396 13.7449 13.7520 k = 0.0000 0.0000 0.2017 ( 2329 PWs) bands (ev): -18.3369 -18.3368 -15.2666 -15.2657 -15.0862 -15.0849 -14.8938 -14.8922 -7.7953 -7.7952 -4.4372 -4.4336 -4.0884 -4.0853 -3.4407 -3.4347 -0.5768 -0.5722 0.6106 0.6121 1.1070 1.1117 1.3901 1.4059 1.5028 1.5212 1.6703 1.6824 2.6251 2.6287 2.6730 2.6773 10.9605 10.9608 11.7919 11.8012 13.5061 13.5082 13.7456 13.7534 k = 0.0000 0.0000 0.2161 ( 2337 PWs) bands (ev): -18.3212 -18.3212 -15.2942 -15.2933 -15.0888 -15.0874 -14.8985 -14.8967 -7.7617 -7.7615 -4.4610 -4.4574 -4.0660 -4.0627 -3.4199 -3.4136 -0.5920 -0.5871 0.6256 0.6271 1.0702 1.0746 1.3640 1.3795 1.4921 1.5098 1.6894 1.7010 2.6237 2.6276 2.6776 2.6822 11.0257 11.0260 11.8236 11.8336 13.4738 13.4759 13.7476 13.7562 k = 0.0000 0.0000 0.2305 ( 2333 PWs) bands (ev): -18.3046 -18.3045 -15.3232 -15.3223 -15.0914 -15.0899 -14.9033 -14.9015 -7.7261 -7.7260 -4.4857 -4.4821 -4.0424 -4.0388 -3.3986 -3.3921 -0.6078 -0.6026 0.6413 0.6429 1.0312 1.0351 1.3355 1.3501 1.4820 1.4988 1.7105 1.7217 2.6222 2.6264 2.6825 2.6873 11.0938 11.0942 11.8563 11.8670 13.4408 13.4429 13.7513 13.7606 k = 0.0000 0.0000 0.2449 ( 2331 PWs) bands (ev): -18.2869 -18.2869 -15.3535 -15.3526 -15.0942 -15.0926 -14.9085 -14.9066 -7.6887 -7.6886 -4.5113 -4.5076 -4.0175 -4.0137 -3.3769 -3.3702 -0.6241 -0.6186 0.6577 0.6594 0.9902 0.9936 1.3046 1.3183 1.4726 1.4883 1.7333 1.7441 2.6207 2.6251 2.6875 2.6926 11.1644 11.1649 11.8897 11.9011 13.4073 13.4094 13.7567 13.7668 k = 0.0000 0.0000 0.2593 ( 2335 PWs) bands (ev): -18.2683 -18.2683 -15.3851 -15.3843 -15.0969 -15.0953 -14.9138 -14.9119 -7.6496 -7.6494 -4.5376 -4.5340 -3.9914 -3.9874 -3.3550 -3.3481 -0.6408 -0.6350 0.6745 0.6763 0.9475 0.9503 1.2717 1.2844 1.4637 1.4783 1.7575 1.7681 2.6190 2.6237 2.6926 2.6979 11.2374 11.2380 11.9237 11.9358 13.3736 13.3757 13.7641 13.7750 k = 0.0000 0.0000 0.2737 ( 2335 PWs) bands (ev): -18.2488 -18.2487 -15.4180 -15.4172 -15.0998 -15.0980 -14.9194 -14.9174 -7.6087 -7.6086 -4.5648 -4.5611 -3.9643 -3.9601 -3.3329 -3.3258 -0.6578 -0.6517 0.6916 0.6935 0.9035 0.9056 1.2371 1.2488 1.4552 1.4688 1.7830 1.7934 2.6171 2.6221 2.6978 2.7034 11.3124 11.3131 11.9581 11.9709 13.3398 13.3419 13.7734 13.7851 k = 0.0000 0.0000 0.2881 ( 2335 PWs) bands (ev): -18.2283 -18.2283 -15.4520 -15.4512 -15.1027 -15.1009 -14.9252 -14.9231 -7.5663 -7.5662 -4.5927 -4.5890 -3.9361 -3.9317 -3.3107 -3.3034 -0.6749 -0.6686 0.7088 0.7108 0.8583 0.8597 1.2009 1.2116 1.4472 1.4600 1.8095 1.8198 2.6151 2.6204 2.7030 2.7089 11.3890 11.3898 11.9927 12.0062 13.3062 13.3082 13.7849 13.7973 k = 0.0000 0.0000 0.3026 ( 2331 PWs) bands (ev): -18.2070 -18.2069 -15.4870 -15.4862 -15.1056 -15.1037 -14.9311 -14.9290 -7.5224 -7.5222 -4.6213 -4.6177 -3.9070 -3.9023 -3.2886 -3.2811 -0.6920 -0.6854 0.7259 0.7280 0.8121 0.8130 1.1633 1.1732 1.4398 1.4518 1.8369 1.8471 2.6129 2.6184 2.7083 2.7143 11.4669 11.4678 12.0275 12.0417 13.2730 13.2749 13.7985 13.8117 k = 0.0000 0.0000 0.3170 ( 2331 PWs) bands (ev): -18.1848 -18.1847 -15.5230 -15.5222 -15.1085 -15.1066 -14.9372 -14.9351 -7.4770 -7.4768 -4.6507 -4.6471 -3.8770 -3.8721 -3.2667 -3.2590 -0.7091 -0.7022 0.7421 0.7448 0.7652 0.7661 1.1247 1.1338 1.4332 1.4444 1.8650 1.8753 2.6105 2.6162 2.7136 2.7198 11.5457 11.5468 12.0623 12.0771 13.2402 13.2421 13.8142 13.8282 k = 0.0000 0.0000 0.3314 ( 2343 PWs) bands (ev): -18.1617 -18.1616 -15.5599 -15.5592 -15.1114 -15.1094 -14.9435 -14.9412 -7.4303 -7.4301 -4.6808 -4.6773 -3.8462 -3.8412 -3.2449 -3.2371 -0.7258 -0.7187 0.7169 0.7176 0.7594 0.7613 1.0851 1.0936 1.4274 1.4380 1.8936 1.9040 2.6078 2.6138 2.7187 2.7252 11.6251 11.6264 12.0971 12.1124 13.2082 13.2101 13.8318 13.8466 k = 0.0000 0.0000 0.3458 ( 2335 PWs) bands (ev): -18.1378 -18.1378 -15.5976 -15.5969 -15.1143 -15.1123 -14.9498 -14.9475 -7.3822 -7.3820 -4.7116 -4.7081 -3.8147 -3.8095 -3.2235 -3.2155 -0.7421 -0.7347 0.6686 0.6702 0.7743 0.7765 1.0448 1.0529 1.4229 1.4328 1.9227 1.9332 2.6048 2.6111 2.7238 2.7305 11.7046 11.7061 12.1319 12.1478 13.1771 13.1789 13.8514 13.8669 k = 0.0000 0.0000 0.3602 ( 2343 PWs) bands (ev): -18.1132 -18.1131 -15.6360 -15.6353 -15.1172 -15.1151 -14.9562 -14.9539 -7.3330 -7.3328 -4.7431 -4.7397 -3.7827 -3.7772 -3.2026 -3.1944 -0.7579 -0.7502 0.6200 0.6225 0.7880 0.7903 1.0040 1.0119 1.4198 1.4291 1.9521 1.9627 2.6016 2.6081 2.7288 2.7356 11.7838 11.7855 12.1668 12.1830 13.1470 13.1487 13.8727 13.8888 k = 0.0000 0.0000 0.3746 ( 2347 PWs) bands (ev): -18.0878 -18.0877 -15.6750 -15.6744 -15.1200 -15.1178 -14.9627 -14.9603 -7.2826 -7.2824 -4.7753 -4.7720 -3.7501 -3.7444 -3.1822 -3.1738 -0.7729 -0.7650 0.5714 0.5747 0.7999 0.8024 0.9631 0.9709 1.4183 1.4271 1.9815 1.9923 2.5981 2.6048 2.7336 2.7405 11.8620 11.8641 12.2018 12.2184 13.1181 13.1198 13.8954 13.9120 k = 0.0000 0.0000 0.3890 ( 2343 PWs) bands (ev): -18.0618 -18.0617 -15.7146 -15.7140 -15.1228 -15.1206 -14.9692 -14.9668 -7.2312 -7.2310 -4.8083 -4.8050 -3.7171 -3.7112 -3.1624 -3.1539 -0.7871 -0.7789 0.5229 0.5271 0.8094 0.8123 0.9223 0.9305 1.4189 1.4271 2.0110 2.0220 2.5942 2.6013 2.7381 2.7452 11.9388 11.9412 12.2373 12.2541 13.0906 13.0923 13.9191 13.9363 k = 0.0000 0.0000 0.4034 ( 2335 PWs) bands (ev): -18.0350 -18.0350 -15.7546 -15.7541 -15.1255 -15.1232 -14.9757 -14.9733 -7.1788 -7.1787 -4.8420 -4.8388 -3.6838 -3.6777 -3.1433 -3.1347 -0.8002 -0.7918 0.4746 0.4797 0.8152 0.8192 0.8824 0.8917 1.4218 1.4295 2.0402 2.0515 2.5902 2.5974 2.7425 2.7497 12.0134 12.0161 12.2736 12.2904 13.0646 13.0662 13.9436 13.9613 k = 0.0000 0.0000 0.4178 ( 2331 PWs) bands (ev): -18.0077 -18.0076 -15.7950 -15.7945 -15.1281 -15.1258 -14.9822 -14.9797 -7.1256 -7.1254 -4.8764 -4.8734 -3.6503 -3.6440 -3.1251 -3.1163 -0.8122 -0.8036 0.4265 0.4326 0.8131 0.8190 0.8478 0.8584 1.4271 1.4343 2.0691 2.0807 2.5858 2.5934 2.7465 2.7538 12.0850 12.0881 12.3111 12.3277 13.0402 13.0418 13.9682 13.9864 k = 0.0000 0.0000 0.4322 ( 2321 PWs) bands (ev): -17.9799 -17.9798 -15.8356 -15.8351 -15.1306 -15.1282 -14.9887 -14.9862 -7.0715 -7.0714 -4.9116 -4.9086 -3.6167 -3.6102 -3.1078 -3.0989 -0.8228 -0.8140 0.3788 0.3858 0.7913 0.7958 0.8353 0.8415 1.4351 1.4418 2.0974 2.1093 2.5813 2.5891 2.7503 2.7577 12.1525 12.1562 12.3506 12.3666 13.0176 13.0192 13.9926 14.0111 k = 0.0000 0.0000 0.4466 ( 2333 PWs) bands (ev): -17.9516 -17.9515 -15.8764 -15.8760 -15.1330 -15.1306 -14.9951 -14.9926 -7.0168 -7.0166 -4.9476 -4.9447 -3.5832 -3.5765 -3.0915 -3.0825 -0.8320 -0.8229 0.3313 0.3392 0.7558 0.7615 0.8328 0.8359 1.4457 1.4519 2.1250 2.1372 2.5766 2.5848 2.7536 2.7610 12.2150 12.2194 12.3927 12.4077 12.9968 12.9984 14.0160 14.0348 k = 0.0000 0.0000 0.4610 ( 2337 PWs) bands (ev): -17.9228 -17.9228 -15.9173 -15.9168 -15.1352 -15.1328 -15.0015 -14.9989 -6.9614 -6.9612 -4.9844 -4.9816 -3.5498 -3.5429 -3.0763 -3.0672 -0.8396 -0.8302 0.2841 0.2929 0.7190 0.7258 0.8291 0.8310 1.4590 1.4647 2.1516 2.1642 2.5718 2.5804 2.7565 2.7640 12.2715 12.2769 12.4379 12.4513 12.9779 12.9797 14.0380 14.0571 k = 0.0000 0.0000 0.4754 ( 2337 PWs) bands (ev): -17.8938 -17.8937 -15.9580 -15.9576 -15.1374 -15.1350 -15.0077 -15.0052 -6.9054 -6.9053 -5.0219 -5.0192 -3.5166 -3.5096 -3.0623 -3.0531 -0.8453 -0.8358 0.2372 0.2468 0.6832 0.6910 0.8231 0.8243 1.4747 1.4800 2.1770 2.1899 2.5673 2.5761 2.7590 2.7666 12.3218 12.3284 12.4860 12.4975 12.9612 12.9631 14.0580 14.0771 k = 0.0000 0.0000 0.4898 ( 2329 PWs) bands (ev): -17.8645 -17.8644 -15.9985 -15.9981 -15.1394 -15.1370 -15.0138 -15.0113 -6.8490 -6.8488 -5.0603 -5.0577 -3.4839 -3.4767 -3.0495 -3.0402 -0.8492 -0.8395 0.1905 0.2009 0.6492 0.6577 0.8146 0.8155 1.4926 1.4975 2.2009 2.2142 2.5631 2.5722 2.7611 2.7686 12.3665 12.3744 12.5360 12.5456 12.9467 12.9487 14.0752 14.0944 k = 0.0000 0.0000 0.5043 ( 2337 PWs) bands (ev): -17.8351 -17.8350 -16.0388 -16.0384 -15.1412 -15.1388 -15.0198 -15.0173 -6.7922 -6.7920 -5.0995 -5.0970 -3.4517 -3.4443 -3.0380 -3.0287 -0.8511 -0.8411 0.1439 0.1551 0.6174 0.6264 0.8037 0.8046 1.5125 1.5170 2.2230 2.2366 2.5594 2.5689 2.7626 2.7701 12.4069 12.4158 12.5862 12.5941 12.9344 12.9367 14.0890 14.1081 k = 0.0000 0.0000 0.5187 ( 2331 PWs) bands (ev): -17.8057 -17.8056 -16.0785 -16.0781 -15.1429 -15.1406 -15.0256 -15.0231 -6.7351 -6.7349 -5.1395 -5.1371 -3.4200 -3.4125 -3.0279 -3.0185 -0.8508 -0.8407 0.0974 0.1093 0.5880 0.5975 0.7907 0.7918 1.5340 1.5382 2.2430 2.2568 2.5568 2.5664 2.7635 2.7711 12.4439 12.4535 12.6354 12.6418 12.9246 12.9271 14.0990 14.1179 k = 0.0000 0.0000 0.5331 ( 2326 PWs) bands (ev): -17.7764 -17.7763 -16.1176 -16.1172 -15.1445 -15.1421 -15.0312 -15.0287 -6.6778 -6.6776 -5.1803 -5.1780 -3.3891 -3.3815 -3.0191 -3.0097 -0.8483 -0.8380 0.0510 0.0634 0.5613 0.5712 0.7759 0.7773 1.5568 1.5607 2.2604 2.2742 2.5555 2.5651 2.7639 2.7714 12.4785 12.4884 12.6822 12.6875 12.9172 12.9200 14.1046 14.1232 k = 0.0000 0.0000 0.5475 ( 2326 PWs) bands (ev): -17.7473 -17.7472 -16.1558 -16.1555 -15.1458 -15.1435 -15.0365 -15.0341 -6.6204 -6.6202 -5.2219 -5.2198 -3.3590 -3.3513 -3.0118 -3.0024 -0.8435 -0.8329 0.0046 0.0175 0.5375 0.5477 0.7596 0.7613 1.5806 1.5842 2.2749 2.2886 2.5559 2.5654 2.7636 2.7711 12.5110 12.5210 12.7259 12.7304 12.9124 12.9155 14.1054 14.1236 k = 0.0000 0.0000 0.5619 ( 2326 PWs) bands (ev): -17.7187 -17.7186 -16.1931 -16.1928 -15.1470 -15.1448 -15.0416 -15.0393 -6.5629 -6.5627 -5.2643 -5.2623 -3.3299 -3.3221 -3.0059 -2.9965 -0.8363 -0.8255 -0.0417 -0.0285 0.5168 0.5271 0.7420 0.7442 1.6050 1.6084 2.2862 2.2994 2.5585 2.5675 2.7627 2.7701 12.5416 12.5515 12.7660 12.7699 12.9101 12.9136 14.1013 14.1190 k = 0.0000 0.0000 0.5763 ( 2328 PWs) bands (ev): -17.6906 -17.6906 -16.2291 -16.2288 -15.1481 -15.1460 -15.0465 -15.0442 -6.5056 -6.5054 -5.3076 -5.3056 -3.3018 -3.2939 -3.0015 -2.9921 -0.8266 -0.8157 -0.0879 -0.0744 0.4992 0.5096 0.7236 0.7261 1.6297 1.6328 2.2942 2.3066 2.5634 2.5717 2.7611 2.7684 12.5704 12.5800 12.8022 12.8056 12.9105 12.9143 14.0925 14.1095 k = 0.0000 0.0000 0.5907 ( 2328 PWs) bands (ev): -17.6635 -17.6634 -16.2637 -16.2634 -15.1490 -15.1469 -15.0510 -15.0488 -6.4485 -6.4482 -5.3515 -5.3497 -3.2749 -3.2669 -2.9985 -2.9892 -0.8144 -0.8033 -0.1340 -0.1203 0.4848 0.4951 0.7046 0.7073 1.6543 1.6572 2.2988 2.3102 2.5705 2.5779 2.7588 2.7659 12.5972 12.6062 12.8344 12.8375 12.9135 12.9175 14.0793 14.0955 k = 0.0000 0.0000 0.6051 ( 2332 PWs) bands (ev): -17.6374 -17.6373 -16.2965 -16.2962 -15.1498 -15.1478 -15.0552 -15.0531 -6.3917 -6.3914 -5.3962 -5.3945 -3.2492 -3.2411 -2.9970 -2.9877 -0.7997 -0.7884 -0.1799 -0.1661 0.4735 0.4836 0.6851 0.6882 1.6784 1.6811 2.3003 2.3106 2.5797 2.5861 2.7558 2.7627 12.6219 12.6302 12.8626 12.8654 12.9190 12.9232 14.0623 14.0776 k = 0.0000 0.0000 0.6195 ( 2336 PWs) bands (ev): -17.6127 -17.6126 -16.3273 -16.3270 -15.1504 -15.1486 -15.0590 -15.0571 -6.3354 -6.3351 -5.4414 -5.4398 -3.2248 -3.2167 -2.9968 -2.9877 -0.7825 -0.7710 -0.2254 -0.2116 0.4652 0.4750 0.6656 0.6690 1.7019 1.7043 2.2993 2.3083 2.5905 2.5959 2.7519 2.7587 12.6441 12.6516 12.8869 12.8893 12.9269 12.9310 14.0425 14.0567 k = 0.0000 0.0000 0.6339 ( 2336 PWs) bands (ev): -17.5897 -17.5896 -16.3557 -16.3555 -15.1508 -15.1492 -15.0625 -15.0607 -6.2798 -6.2795 -5.4871 -5.4856 -3.2018 -3.1938 -2.9979 -2.9890 -0.7627 -0.7511 -0.2704 -0.2566 0.4599 0.4693 0.6463 0.6500 1.7241 1.7264 2.2962 2.3039 2.6024 2.6070 2.7474 2.7539 12.6638 12.6704 12.9071 12.9091 12.9372 12.9410 14.0209 14.0338 k = 0.0000 0.0000 0.6483 ( 2336 PWs) bands (ev): -17.5687 -17.5686 -16.3814 -16.3812 -15.1512 -15.1497 -15.0655 -15.0640 -6.2252 -6.2249 -5.5329 -5.5316 -3.1804 -3.1725 -3.0003 -2.9916 -0.7405 -0.7287 -0.3148 -0.3011 0.4572 0.4661 0.6275 0.6314 1.7448 1.7468 2.2917 2.2982 2.6149 2.6189 2.7420 2.7484 12.6809 12.6866 12.9226 12.9247 12.9496 12.9534 13.9987 14.0103 k = 0.0000 0.0000 0.6627 ( 2332 PWs) bands (ev): -17.5501 -17.5500 -16.4040 -16.4038 -15.1514 -15.1501 -15.0681 -15.0668 -6.1721 -6.1717 -5.5786 -5.5773 -3.1607 -3.1531 -3.0037 -2.9954 -0.7159 -0.7039 -0.3583 -0.3447 0.4570 0.4653 0.6096 0.6136 1.7635 1.7653 2.2864 2.2918 2.6277 2.6313 2.7360 2.7420 12.6954 12.7001 12.9338 12.9363 12.9634 12.9674 13.9772 13.9872 k = 0.0000 0.0000 0.6771 ( 2332 PWs) bands (ev): -17.5342 -17.5341 -16.4231 -16.4230 -15.1515 -15.1505 -15.0702 -15.0691 -6.1211 -6.1207 -5.6234 -5.6223 -3.1429 -3.1357 -3.0079 -3.0002 -0.6889 -0.6767 -0.4009 -0.3875 0.4589 0.4663 0.5930 0.5971 1.7798 1.7812 2.2811 2.2853 2.6403 2.6437 2.7292 2.7349 12.7072 12.7110 12.9420 12.9446 12.9771 12.9810 13.9576 13.9659 k = 0.0000 0.0000 0.6915 ( 2332 PWs) bands (ev): -17.5214 -17.5213 -16.4385 -16.4384 -15.1516 -15.1508 -15.0719 -15.0710 -6.0735 -6.0731 -5.6661 -5.6651 -3.1274 -3.1210 -3.0124 -3.0056 -0.6596 -0.6473 -0.4424 -0.4291 0.4623 0.4686 0.5785 0.5823 1.7931 1.7942 2.2763 2.2794 2.6524 2.6558 2.7219 2.7272 12.7164 12.7193 12.9481 12.9502 12.9895 12.9929 13.9410 13.9475 k = 0.0000 0.0000 0.7060 ( 2336 PWs) bands (ev): -17.5120 -17.5119 -16.4497 -16.4497 -15.1516 -15.1510 -15.0730 -15.0725 -6.0319 -6.0315 -5.7041 -5.7034 -3.1146 -3.1096 -3.0164 -3.0112 -0.6283 -0.6159 -0.4825 -0.4694 0.4665 0.4714 0.5669 0.5700 1.8031 1.8038 2.2725 2.2746 2.6636 2.6670 2.7144 2.7191 12.7232 12.7251 12.9523 12.9538 12.9994 13.0019 13.9287 13.9331 k = 0.0000 0.0000 0.7204 ( 2336 PWs) bands (ev): -17.5062 -17.5062 -16.4566 -16.4565 -15.1515 -15.1512 -15.0737 -15.0734 -6.0013 -6.0010 -5.7324 -5.7320 -3.1055 -3.1026 -3.0189 -3.0159 -0.5951 -0.5828 -0.5207 -0.5080 0.4706 0.4733 0.5596 0.5614 1.8093 1.8097 2.2703 2.2713 2.6732 2.6758 2.7080 2.7113 12.7274 12.7284 12.9549 12.9557 13.0060 13.0073 13.9213 13.9236 k = 0.0000 0.0000 0.7348 ( 2336 PWs) bands (ev): -17.5043 -17.5043 -16.4589 -16.4589 -15.1514 -15.1514 -15.0738 -15.0738 -5.9894 -5.9894 -5.7433 -5.7433 -3.1012 -3.1012 -3.0188 -3.0188 -0.5629 -0.5629 -0.5422 -0.5422 0.4731 0.4731 0.5576 0.5576 1.8115 1.8115 2.2699 2.2699 2.6786 2.6786 2.7063 2.7063 12.7291 12.7291 12.9561 12.9561 13.0087 13.0087 13.9196 13.9196 k = 0.0000 0.0000 0.7348 ( 2336 PWs) bands (ev): -17.5043 -17.5043 -16.4589 -16.4589 -15.1514 -15.1514 -15.0738 -15.0738 -5.9894 -5.9894 -5.7433 -5.7433 -3.1012 -3.1012 -3.0188 -3.0188 -0.5629 -0.5629 -0.5422 -0.5422 0.4731 0.4731 0.5576 0.5576 1.8115 1.8115 2.2699 2.2699 2.6786 2.6786 2.7063 2.7063 12.7291 12.7291 12.9561 12.9561 13.0087 13.0087 13.9196 13.9196 k =-0.0098 0.0106 0.7348 ( 2336 PWs) bands (ev): -17.5043 -17.5043 -16.4589 -16.4587 -15.1515 -15.1514 -15.0741 -15.0738 -5.9888 -5.9887 -5.7429 -5.7425 -3.1019 -3.1012 -3.0196 -3.0190 -0.5670 -0.5609 -0.5447 -0.5386 0.4728 0.4736 0.5575 0.5581 1.8115 1.8117 2.2702 2.2704 2.6744 2.6767 2.7062 2.7091 12.7282 12.7293 12.9556 12.9567 13.0077 13.0088 13.9193 13.9199 k =-0.0196 0.0211 0.7348 ( 2336 PWs) bands (ev): -17.5043 -17.5043 -16.4589 -16.4584 -15.1516 -15.1516 -15.0746 -15.0740 -5.9869 -5.9867 -5.7413 -5.7404 -3.1032 -3.1018 -3.0213 -3.0201 -0.5722 -0.5624 -0.5447 -0.5349 0.4726 0.4744 0.5579 0.5589 1.8117 1.8121 2.2715 2.2719 2.6661 2.6695 2.7084 2.7129 12.7265 12.7287 12.9555 12.9576 13.0056 13.0078 13.9190 13.9202 k =-0.0294 0.0317 0.7348 ( 2336 PWs) bands (ev): -17.5043 -17.5043 -16.4587 -16.4580 -15.1519 -15.1518 -15.0754 -15.0744 -5.9837 -5.9834 -5.7384 -5.7371 -3.1052 -3.1030 -3.0239 -3.0222 -0.5782 -0.5667 -0.5428 -0.5314 0.4727 0.4753 0.5587 0.5602 1.8121 1.8127 2.2737 2.2743 2.6551 2.6588 2.7109 2.7161 12.7240 12.7272 12.9555 12.9586 13.0027 13.0060 13.9186 13.9204 k =-0.0392 0.0422 0.7348 ( 2338 PWs) bands (ev): -17.5044 -17.5044 -16.4584 -16.4575 -15.1522 -15.1521 -15.0764 -15.0751 -5.9792 -5.9789 -5.7344 -5.7326 -3.1078 -3.1049 -3.0275 -3.0251 -0.5847 -0.5725 -0.5404 -0.5283 0.4730 0.4764 0.5598 0.5618 1.8126 1.8134 2.2768 2.2775 2.6420 2.6456 2.7127 2.7184 12.7206 12.7248 12.9558 12.9595 12.9993 13.0037 13.9181 13.9204 k =-0.0490 0.0528 0.7348 ( 2338 PWs) bands (ev): -17.5045 -17.5044 -16.4580 -16.4569 -15.1526 -15.1525 -15.0776 -15.0761 -5.9735 -5.9731 -5.7291 -5.7269 -3.1111 -3.1074 -3.0319 -3.0289 -0.5916 -0.5790 -0.5381 -0.5256 0.4735 0.4777 0.5613 0.5638 1.8131 1.8142 2.2807 2.2816 2.6271 2.6305 2.7135 2.7196 12.7163 12.7212 12.9560 12.9597 12.9960 13.0014 13.9173 13.9201 k =-0.0588 0.0633 0.7348 ( 2338 PWs) bands (ev): -17.5046 -17.5045 -16.4575 -16.4562 -15.1532 -15.1530 -15.0791 -15.0773 -5.9666 -5.9661 -5.7227 -5.7200 -3.1149 -3.1105 -3.0371 -3.0336 -0.5988 -0.5859 -0.5360 -0.5233 0.4742 0.4791 0.5630 0.5659 1.8138 1.8150 2.2854 2.2862 2.6106 2.6136 2.7131 2.7195 12.7109 12.7165 12.9552 12.9584 12.9938 13.0001 13.9162 13.9195 k =-0.0686 0.0739 0.7348 ( 2338 PWs) bands (ev): -17.5047 -17.5046 -16.4569 -16.4554 -15.1537 -15.1536 -15.0807 -15.0786 -5.9585 -5.9579 -5.7152 -5.7121 -3.1194 -3.1143 -3.0431 -3.0390 -0.6061 -0.5931 -0.5342 -0.5214 0.4751 0.4807 0.5649 0.5683 1.8143 1.8158 2.2907 2.2915 2.5925 2.5951 2.7116 2.7183 12.7044 12.7106 12.9525 12.9547 12.9940 13.0011 13.9145 13.9182 k =-0.0784 0.0844 0.7348 ( 2330 PWs) bands (ev): -17.5048 -17.5047 -16.4562 -16.4544 -15.1544 -15.1542 -15.0826 -15.0803 -5.9493 -5.9486 -5.7065 -5.7030 -3.1244 -3.1186 -3.0499 -3.0453 -0.6136 -0.6004 -0.5327 -0.5198 0.4763 0.4825 0.5670 0.5708 1.8147 1.8164 2.2964 2.2971 2.5731 2.5752 2.7091 2.7161 12.6969 12.7035 12.9465 12.9488 12.9971 13.0049 13.9122 13.9163 k =-0.0882 0.0950 0.7348 ( 2326 PWs) bands (ev): -17.5049 -17.5049 -16.4554 -16.4534 -15.1551 -15.1549 -15.0847 -15.0821 -5.9390 -5.9383 -5.6969 -5.6929 -3.1299 -3.1235 -3.0574 -3.0522 -0.6210 -0.6077 -0.5314 -0.5185 0.4776 0.4844 0.5692 0.5733 1.8149 1.8167 2.3024 2.3029 2.5526 2.5540 2.7056 2.7129 12.6884 12.6952 12.9376 12.9409 13.0031 13.0114 13.9091 13.9136 k =-0.0980 0.1055 0.7348 ( 2314 PWs) bands (ev): -17.5051 -17.5051 -16.4544 -16.4523 -15.1559 -15.1557 -15.0869 -15.0841 -5.9277 -5.9269 -5.6862 -5.6819 -3.1360 -3.1289 -3.0655 -3.0598 -0.6282 -0.6149 -0.5303 -0.5173 0.4792 0.4864 0.5714 0.5758 1.8146 1.8167 2.3079 2.3086 2.5314 2.5320 2.7013 2.7088 12.6789 12.6858 12.9266 12.9310 13.0116 13.0203 13.9050 13.9099 k =-0.1078 0.1161 0.7348 ( 2318 PWs) bands (ev): -17.5053 -17.5052 -16.4535 -16.4512 -15.1567 -15.1565 -15.0894 -15.0862 -5.9154 -5.9145 -5.6746 -5.6699 -3.1426 -3.1348 -3.0742 -3.0680 -0.6353 -0.6219 -0.5293 -0.5162 0.4808 0.4885 0.5735 0.5782 1.8138 1.8161 2.3123 2.3138 2.5092 2.5104 2.6963 2.7041 12.6686 12.6754 12.9141 12.9194 13.0221 13.0310 13.8999 13.9050 k =-0.1176 0.1266 0.7348 ( 2314 PWs) bands (ev): -17.5055 -17.5055 -16.4524 -16.4500 -15.1576 -15.1574 -15.0919 -15.0886 -5.9022 -5.9013 -5.6622 -5.6571 -3.1497 -3.1412 -3.0834 -3.0766 -0.6420 -0.6285 -0.5283 -0.5152 0.4826 0.4907 0.5756 0.5806 1.8123 1.8149 2.3145 2.3174 2.4874 2.4902 2.6907 2.6988 12.6575 12.6643 12.9004 12.9065 13.0344 13.0434 13.8935 13.8990 k =-0.1274 0.1372 0.7348 ( 2318 PWs) bands (ev): -17.5058 -17.5057 -16.4513 -16.4487 -15.1585 -15.1582 -15.0947 -15.0911 -5.8883 -5.8872 -5.6489 -5.6435 -3.1572 -3.1481 -3.0929 -3.0858 -0.6483 -0.6347 -0.5272 -0.5140 0.4845 0.4928 0.5775 0.5827 1.8099 1.8127 2.3129 2.3176 2.4678 2.4727 2.6848 2.6932 12.6460 12.6526 12.8857 12.8924 13.0481 13.0571 13.8859 13.8916 k =-0.1372 0.1477 0.7348 ( 2322 PWs) bands (ev): -17.5061 -17.5060 -16.4501 -16.4473 -15.1595 -15.1591 -15.0975 -15.0937 -5.8736 -5.8725 -5.6350 -5.6291 -3.1650 -3.1555 -3.1028 -3.0953 -0.6541 -0.6404 -0.5259 -0.5127 0.4864 0.4951 0.5792 0.5846 1.8065 1.8095 2.3055 2.3122 2.4527 2.4598 2.6787 2.6874 12.6341 12.6405 12.8702 12.8774 13.0631 13.0721 13.8770 13.8828 k =-0.1470 0.1583 0.7348 ( 2314 PWs) bands (ev): -17.5064 -17.5063 -16.4489 -16.4460 -15.1604 -15.1601 -15.1004 -15.0964 -5.8582 -5.8571 -5.6204 -5.6142 -3.1731 -3.1632 -3.1129 -3.1050 -0.6592 -0.6455 -0.5243 -0.5111 0.4884 0.4973 0.5807 0.5863 1.8018 1.8050 2.2908 2.2990 2.4443 2.4532 2.6726 2.6815 12.6221 12.6283 12.8540 12.8618 13.0792 13.0880 13.8666 13.8726 k =-0.1568 0.1688 0.7348 ( 2318 PWs) bands (ev): -17.5067 -17.5066 -16.4476 -16.4446 -15.1613 -15.1610 -15.1034 -15.0992 -5.8424 -5.8411 -5.6052 -5.5986 -3.1816 -3.1712 -3.1231 -3.1150 -0.6636 -0.6499 -0.5224 -0.5092 0.4904 0.4994 0.5820 0.5876 1.7956 1.7991 2.2687 2.2776 2.4429 2.4526 2.6667 2.6759 12.6101 12.6161 12.8374 12.8455 13.0961 13.1047 13.8548 13.8610 k =-0.1666 0.1794 0.7348 ( 2314 PWs) bands (ev): -17.5071 -17.5070 -16.4463 -16.4431 -15.1623 -15.1619 -15.1065 -15.1022 -5.8260 -5.8247 -5.5895 -5.5826 -3.1902 -3.1796 -3.1334 -3.1251 -0.6672 -0.6534 -0.5200 -0.5067 0.4923 0.5015 0.5830 0.5887 1.7877 1.7914 2.2407 2.2496 2.4470 2.4569 2.6611 2.6706 12.5983 12.6041 12.8204 12.8289 13.1136 13.1221 13.8415 13.8479 k =-0.1764 0.1900 0.7348 ( 2314 PWs) bands (ev): -17.5075 -17.5074 -16.4450 -16.4416 -15.1632 -15.1628 -15.1097 -15.1052 -5.8093 -5.8079 -5.5734 -5.5662 -3.1990 -3.1881 -3.1437 -3.1353 -0.6699 -0.6561 -0.5170 -0.5037 0.4942 0.5035 0.5836 0.5895 1.7780 1.7819 2.2081 2.2167 2.4549 2.4646 2.6562 2.6659 12.5868 12.5925 12.8033 12.8122 13.1315 13.1398 13.8268 13.8333 k =-0.1862 0.2005 0.7348 ( 2312 PWs) bands (ev): -17.5079 -17.5078 -16.4436 -16.4402 -15.1641 -15.1637 -15.1128 -15.1082 -5.7923 -5.7909 -5.5570 -5.5496 -3.2078 -3.1969 -3.1538 -3.1454 -0.6716 -0.6578 -0.5133 -0.5001 0.4959 0.5053 0.5840 0.5899 1.7662 1.7704 2.1720 2.1803 2.4651 2.4746 2.6520 2.6619 12.5760 12.5815 12.7863 12.7954 13.1496 13.1576 13.8107 13.8173 k =-0.1960 0.2111 0.7348 ( 2308 PWs) bands (ev): -17.5084 -17.5083 -16.4422 -16.4387 -15.1650 -15.1646 -15.1160 -15.1113 -5.7752 -5.7737 -5.5403 -5.5326 -3.2166 -3.2057 -3.1637 -3.1555 -0.6723 -0.6584 -0.5089 -0.4957 0.4976 0.5070 0.5841 0.5899 1.7522 1.7566 2.1332 2.1412 2.4769 2.4861 2.6487 2.6588 12.5658 12.5711 12.7694 12.7787 13.1676 13.1754 13.7932 13.7999 k =-0.2058 0.2216 0.7348 ( 2310 PWs) bands (ev): -17.5089 -17.5088 -16.4408 -16.4372 -15.1659 -15.1654 -15.1192 -15.1144 -5.7580 -5.7565 -5.5236 -5.5156 -3.2253 -3.2145 -3.1734 -3.1653 -0.6718 -0.6580 -0.5037 -0.4905 0.4991 0.5086 0.5838 0.5896 1.7359 1.7405 2.0922 2.0998 2.4897 2.4987 2.6465 2.6566 12.5564 12.5616 12.7528 12.7623 13.1853 13.1929 13.7743 13.7812 k =-0.2156 0.2322 0.7348 ( 2310 PWs) bands (ev): -17.5094 -17.5093 -16.4395 -16.4358 -15.1667 -15.1662 -15.1224 -15.1175 -5.7409 -5.7393 -5.5067 -5.4986 -3.2339 -3.2232 -3.1828 -3.1750 -0.6702 -0.6563 -0.4976 -0.4844 0.5005 0.5099 0.5832 0.5890 1.7172 1.7220 2.0493 2.0567 2.5033 2.5121 2.6453 2.6555 12.5479 12.5529 12.7368 12.7464 13.2024 13.2099 13.7543 13.7612 k =-0.2156 0.2322 0.7348 ( 2310 PWs) bands (ev): -17.5094 -17.5093 -16.4395 -16.4358 -15.1667 -15.1662 -15.1224 -15.1175 -5.7409 -5.7393 -5.5067 -5.4986 -3.2339 -3.2232 -3.1828 -3.1750 -0.6702 -0.6563 -0.4976 -0.4844 0.5005 0.5099 0.5832 0.5890 1.7172 1.7220 2.0493 2.0567 2.5033 2.5121 2.6453 2.6555 12.5479 12.5529 12.7368 12.7464 13.2024 13.2099 13.7543 13.7612 k =-0.2224 0.2395 0.7248 ( 2312 PWs) bands (ev): -17.5103 -17.5102 -16.4380 -16.4343 -15.1649 -15.1644 -15.1266 -15.1217 -5.7373 -5.7357 -5.4863 -5.4782 -3.2305 -3.2224 -3.1972 -3.1920 -0.6816 -0.6682 -0.4778 -0.4647 0.5139 0.5220 0.5698 0.5756 1.6966 1.7015 2.0269 2.0342 2.5140 2.5232 2.6425 2.6530 12.5411 12.5464 12.7140 12.7232 13.2158 13.2231 13.7511 13.7586 k =-0.2291 0.2467 0.7149 ( 2312 PWs) bands (ev): -17.5121 -17.5120 -16.4355 -16.4318 -15.1631 -15.1624 -15.1307 -15.1258 -5.7424 -5.7406 -5.4577 -5.4497 -3.2356 -3.2328 -3.2035 -3.1990 -0.6928 -0.6799 -0.4562 -0.4434 0.5258 0.5313 0.5587 0.5660 1.6752 1.6803 2.0034 2.0106 2.5237 2.5334 2.6406 2.6515 12.5298 12.5355 12.6948 12.7034 13.2300 13.2370 13.7492 13.7573 k =-0.2359 0.2540 0.7049 ( 2310 PWs) bands (ev): -17.5147 -17.5146 -16.4321 -16.4283 -15.1611 -15.1603 -15.1346 -15.1298 -5.7532 -5.7512 -5.4238 -5.4159 -3.2537 -3.2488 -3.2036 -3.1952 -0.7034 -0.6910 -0.4334 -0.4209 0.5258 0.5314 0.5578 0.5690 1.6532 1.6584 1.9791 1.9862 2.5321 2.5424 2.6399 2.6511 12.5140 12.5203 12.6797 12.6878 13.2448 13.2515 13.7485 13.7570 k =-0.2427 0.2613 0.6950 ( 2315 PWs) bands (ev): -17.5180 -17.5179 -16.4279 -16.4242 -15.1591 -15.1581 -15.1383 -15.1337 -5.7674 -5.7651 -5.3869 -5.3793 -3.2747 -3.2690 -3.1995 -3.1898 -0.7132 -0.7015 -0.4096 -0.3974 0.5143 0.5202 0.5708 0.5823 1.6309 1.6362 1.9540 1.9610 2.5390 2.5499 2.6404 2.6518 12.4943 12.5012 12.6686 12.6763 13.2599 13.2663 13.7487 13.7575 k =-0.2495 0.2686 0.6850 ( 2315 PWs) bands (ev): -17.5218 -17.5218 -16.4232 -16.4194 -15.1572 -15.1558 -15.1416 -15.1373 -5.7834 -5.7809 -5.3488 -5.3412 -3.2966 -3.2907 -3.1943 -3.1840 -0.7223 -0.7111 -0.3850 -0.3731 0.4999 0.5055 0.5880 0.5990 1.6086 1.6140 1.9282 1.9353 2.5445 2.5558 2.6422 2.6535 12.4717 12.4793 12.6609 12.6682 13.2752 13.2813 13.7495 13.7586 k =-0.2562 0.2759 0.6751 ( 2317 PWs) bands (ev): -17.5261 -17.5261 -16.4180 -16.4142 -15.1560 -15.1536 -15.1443 -15.1404 -5.8002 -5.7975 -5.3102 -5.3028 -3.3189 -3.3130 -3.1888 -3.1782 -0.7305 -0.7198 -0.3598 -0.3483 0.4844 0.4897 0.6067 0.6173 1.5864 1.5918 1.9020 1.9090 2.5486 2.5602 2.6451 2.6562 12.4476 12.4556 12.6555 12.6627 13.2905 13.2963 13.7508 13.7600 k =-0.2630 0.2832 0.6651 ( 2317 PWs) bands (ev): -17.5307 -17.5306 -16.4125 -16.4087 -15.1561 -15.1519 -15.1458 -15.1423 -5.8173 -5.8145 -5.2720 -5.2647 -3.3413 -3.3356 -3.1833 -3.1724 -0.7378 -0.7276 -0.3341 -0.3231 0.4682 0.4732 0.6262 0.6365 1.5647 1.5701 1.8754 1.8824 2.5514 2.5630 2.6490 2.6596 12.4230 12.4313 12.6520 12.6591 13.3056 13.3111 13.7522 13.7616 k =-0.2698 0.2905 0.6552 ( 2319 PWs) bands (ev): -17.5354 -17.5354 -16.4068 -16.4031 -15.1577 -15.1522 -15.1455 -15.1421 -5.8342 -5.8313 -5.2346 -5.2274 -3.3636 -3.3582 -3.1779 -3.1669 -0.7443 -0.7345 -0.3082 -0.2975 0.4516 0.4562 0.6463 0.6563 1.5437 1.5491 1.8486 1.8556 2.5532 2.5647 2.6535 2.6634 12.3985 12.4071 12.6497 12.6569 13.3205 13.3257 13.7535 13.7630 k =-0.2765 0.2978 0.6452 ( 2320 PWs) bands (ev): -17.5403 -17.5402 -16.4011 -16.3974 -15.1602 -15.1545 -15.1436 -15.1405 -5.8506 -5.8476 -5.1984 -5.1912 -3.3856 -3.3806 -3.1727 -3.1615 -0.7499 -0.7405 -0.2820 -0.2718 0.4345 0.4388 0.6667 0.6765 1.5237 1.5289 1.8217 1.8288 2.5542 2.5655 2.6583 2.6675 12.3748 12.3836 12.6484 12.6558 13.3351 13.3400 13.7545 13.7640 k =-0.2833 0.3051 0.6353 ( 2318 PWs) bands (ev): -17.5450 -17.5450 -16.3955 -16.3917 -15.1629 -15.1573 -15.1411 -15.1382 -5.8663 -5.8632 -5.1637 -5.1566 -3.4071 -3.4025 -3.1677 -3.1564 -0.7547 -0.7457 -0.2560 -0.2462 0.4171 0.4209 0.6873 0.6969 1.5048 1.5100 1.7949 1.8020 2.5547 2.5657 2.6632 2.6717 12.3524 12.3613 12.6479 12.6554 13.3492 13.3538 13.7549 13.7644 k =-0.2901 0.3124 0.6253 ( 2318 PWs) bands (ev): -17.5497 -17.5497 -16.3900 -16.3862 -15.1658 -15.1602 -15.1384 -15.1356 -5.8811 -5.8780 -5.1308 -5.1238 -3.4279 -3.4237 -3.1629 -3.1516 -0.7587 -0.7501 -0.2301 -0.2208 0.3993 0.4026 0.7078 0.7173 1.4873 1.4924 1.7684 1.7755 2.5547 2.5654 2.6680 2.6756 12.3316 12.3405 12.6480 12.6557 13.3629 13.3672 13.7546 13.7641 k =-0.2969 0.3197 0.6154 ( 2320 PWs) bands (ev): -17.5542 -17.5541 -16.3848 -16.3810 -15.1685 -15.1631 -15.1358 -15.1329 -5.8949 -5.8917 -5.1001 -5.0932 -3.4476 -3.4439 -3.1583 -3.1470 -0.7619 -0.7536 -0.2047 -0.1959 0.3812 0.3840 0.7281 0.7375 1.4714 1.4764 1.7422 1.7495 2.5545 2.5649 2.6725 2.6793 12.3125 12.3215 12.6487 12.6566 13.3760 13.3801 13.7534 13.7627 k =-0.3036 0.3270 0.6054 ( 2316 PWs) bands (ev): -17.5583 -17.5583 -16.3799 -16.3762 -15.1712 -15.1659 -15.1332 -15.1302 -5.9074 -5.9042 -5.0717 -5.0649 -3.4662 -3.4630 -3.1541 -3.1427 -0.7643 -0.7564 -0.1800 -0.1718 0.3630 0.3653 0.7479 0.7572 1.4574 1.4623 1.7167 1.7240 2.5541 2.5642 2.6766 2.6827 12.2954 12.3044 12.6499 12.6579 13.3886 13.3924 13.7510 13.7602 k =-0.3104 0.3342 0.5955 ( 2314 PWs) bands (ev): -17.5622 -17.5621 -16.3754 -16.3717 -15.1737 -15.1685 -15.1307 -15.1276 -5.9187 -5.9154 -5.0460 -5.0393 -3.4834 -3.4807 -3.1502 -3.1387 -0.7660 -0.7583 -0.1565 -0.1489 0.3450 0.3465 0.7670 0.7762 1.4455 1.4502 1.6920 1.6994 2.5536 2.5634 2.6803 2.6857 12.2804 12.2894 12.6516 12.6597 13.4007 13.4042 13.7472 13.7564 k =-0.3172 0.3415 0.5855 ( 2314 PWs) bands (ev): -17.5656 -17.5656 -16.3714 -16.3677 -15.1760 -15.1710 -15.1283 -15.1251 -5.9286 -5.9253 -5.0233 -5.0167 -3.4989 -3.4968 -3.1465 -3.1351 -0.7670 -0.7596 -0.1345 -0.1277 0.3274 0.3282 0.7852 0.7943 1.4358 1.4403 1.6683 1.6759 2.5531 2.5626 2.6835 2.6882 12.2676 12.2766 12.6536 12.6619 13.4122 13.4155 13.7421 13.7511 k =-0.3239 0.3488 0.5756 ( 2312 PWs) bands (ev): -17.5686 -17.5686 -16.3679 -16.3642 -15.1782 -15.1734 -15.1260 -15.1227 -5.9370 -5.9337 -5.0037 -4.9972 -3.5124 -3.5109 -3.1433 -3.1319 -0.7674 -0.7601 -0.1146 -0.1086 0.3106 0.3108 0.8021 0.8111 1.4284 1.4329 1.6460 1.6538 2.5526 2.5618 2.6863 2.6904 12.2572 12.2661 12.6560 12.6645 13.4232 13.4263 13.7354 13.7443 k =-0.3307 0.3561 0.5656 ( 2312 PWs) bands (ev): -17.5711 -17.5711 -16.3650 -16.3613 -15.1803 -15.1756 -15.1239 -15.1204 -5.9438 -5.9405 -4.9876 -4.9812 -3.5240 -3.5227 -3.1404 -3.1290 -0.7670 -0.7599 -0.0976 -0.0925 0.2945 0.2956 0.8175 0.8264 1.4236 1.4279 1.6253 1.6333 2.5521 2.5611 2.6887 2.6921 12.2491 12.2580 12.6588 12.6674 13.4337 13.4365 13.7270 13.7358 k =-0.3375 0.3634 0.5557 ( 2305 PWs) bands (ev): -17.5731 -17.5731 -16.3626 -16.3590 -15.1821 -15.1776 -15.1220 -15.1184 -5.9491 -5.9458 -4.9751 -4.9688 -3.5334 -3.5321 -3.1379 -3.1265 -0.7660 -0.7590 -0.0842 -0.0802 0.2804 0.2828 0.8311 0.8398 1.4213 1.4257 1.6065 1.6147 2.5517 2.5604 2.6906 2.6935 12.2434 12.2523 12.6620 12.6706 13.4438 13.4464 13.7169 13.7256 k =-0.3443 0.3707 0.5457 ( 2305 PWs) bands (ev): -17.5745 -17.5745 -16.3609 -16.3573 -15.1838 -15.1794 -15.1203 -15.1166 -5.9527 -5.9494 -4.9664 -4.9603 -3.5405 -3.5388 -3.1357 -3.1244 -0.7643 -0.7575 -0.0753 -0.0724 0.2694 0.2731 0.8425 0.8511 1.4218 1.4261 1.5899 1.5983 2.5513 2.5598 2.6920 2.6945 12.2402 12.2490 12.6654 12.6742 13.4534 13.4558 13.7050 13.7136 k =-0.3510 0.3780 0.5358 ( 2304 PWs) bands (ev): -17.5754 -17.5754 -16.3599 -16.3562 -15.1853 -15.1810 -15.1188 -15.1149 -5.9547 -5.9514 -4.9617 -4.9556 -3.5451 -3.5427 -3.1340 -3.1227 -0.7620 -0.7553 -0.0720 -0.0699 0.2621 0.2672 0.8515 0.8598 1.4250 1.4292 1.5759 1.5845 2.5510 2.5592 2.6930 2.6952 12.2393 12.2481 12.6691 12.6780 13.4627 13.4649 13.6913 13.6999 k =-0.3578 0.3853 0.5258 ( 2309 PWs) bands (ev): -17.5757 -17.5757 -16.3595 -16.3558 -15.1865 -15.1825 -15.1176 -15.1135 -5.9550 -5.9516 -4.9610 -4.9549 -3.5470 -3.5440 -3.1326 -3.1214 -0.7590 -0.7524 -0.0747 -0.0728 0.2590 0.2655 0.8577 0.8659 1.4308 1.4351 1.5647 1.5735 2.5508 2.5587 2.6936 2.6956 12.2409 12.2496 12.6731 12.6820 13.4717 13.4737 13.6758 13.6843 k =-0.3578 0.3853 0.5258 ( 2309 PWs) bands (ev): -17.5757 -17.5757 -16.3595 -16.3558 -15.1865 -15.1825 -15.1176 -15.1135 -5.9550 -5.9516 -4.9610 -4.9549 -3.5470 -3.5440 -3.1326 -3.1214 -0.7590 -0.7524 -0.0747 -0.0728 0.2590 0.2655 0.8577 0.8659 1.4308 1.4351 1.5647 1.5735 2.5508 2.5587 2.6936 2.6956 12.2409 12.2496 12.6731 12.6820 13.4717 13.4737 13.6758 13.6843 k =-0.3509 0.3779 0.5157 ( 2307 PWs) bands (ev): -17.5862 -17.5861 -16.3475 -16.3438 -15.1862 -15.1821 -15.1126 -15.1084 -6.0022 -5.9988 -4.9323 -4.9261 -3.5698 -3.5666 -3.1238 -3.1124 -0.7765 -0.7699 -0.0903 -0.0886 0.2862 0.2924 0.8668 0.8752 1.4563 1.4604 1.6198 1.6284 2.5263 2.5344 2.6850 2.6870 12.2097 12.2187 12.6778 12.6867 13.4986 13.5006 13.7058 13.7146 k =-0.3440 0.3705 0.5056 ( 2305 PWs) bands (ev): -17.5979 -17.5978 -16.3341 -16.3304 -15.1856 -15.1814 -15.1074 -15.1031 -6.0505 -6.0471 -4.9036 -4.8973 -3.5930 -3.5897 -3.1155 -3.1040 -0.7917 -0.7850 -0.1036 -0.1021 0.3142 0.3202 0.8760 0.8846 1.4795 1.4835 1.6743 1.6826 2.5012 2.5095 2.6765 2.6785 12.1792 12.1885 12.6832 12.6920 13.5241 13.5264 13.7343 13.7433 k =-0.3372 0.3631 0.4955 ( 2305 PWs) bands (ev): -17.6107 -17.6107 -16.3192 -16.3154 -15.1848 -15.1806 -15.1021 -15.0976 -6.0999 -6.0965 -4.8750 -4.8686 -3.6165 -3.6131 -3.1078 -3.0961 -0.8046 -0.7979 -0.1146 -0.1134 0.3430 0.3488 0.8852 0.8940 1.5004 1.5044 1.7275 1.7357 2.4757 2.4841 2.6682 2.6702 12.1496 12.1591 12.6891 12.6979 13.5476 13.5502 13.7610 13.7702 k =-0.3303 0.3556 0.4854 ( 2313 PWs) bands (ev): -17.6248 -17.6248 -16.3028 -16.2990 -15.1837 -15.1795 -15.0966 -15.0919 -6.1502 -6.1469 -4.8466 -4.8401 -3.6405 -3.6369 -3.1007 -3.0889 -0.8154 -0.8085 -0.1232 -0.1221 0.3724 0.3780 0.8944 0.9034 1.5191 1.5231 1.7792 1.7872 2.4499 2.4585 2.6600 2.6620 12.1209 12.1307 12.6955 12.7041 13.5686 13.5715 13.7857 13.7951 k =-0.3234 0.3482 0.4752 ( 2315 PWs) bands (ev): -17.6400 -17.6400 -16.2850 -16.2811 -15.1824 -15.1782 -15.0909 -15.0861 -6.2013 -6.1980 -4.8185 -4.8120 -3.6646 -3.6609 -3.0942 -3.0823 -0.8241 -0.8171 -0.1291 -0.1283 0.4024 0.4078 0.9035 0.9128 1.5357 1.5398 1.8289 1.8368 2.4244 2.4329 2.6522 2.6542 12.0931 12.1032 12.7022 12.7107 13.5862 13.5896 13.8084 13.8180 k =-0.3165 0.3408 0.4651 ( 2311 PWs) bands (ev): -17.6564 -17.6563 -16.2656 -16.2618 -15.1809 -15.1766 -15.0851 -15.0802 -6.2531 -6.2499 -4.7910 -4.7844 -3.6889 -3.6851 -3.0885 -3.0765 -0.8306 -0.8235 -0.1322 -0.1316 0.4329 0.4382 0.9126 0.9220 1.5500 1.5543 1.8764 1.8840 2.3995 2.4079 2.6448 2.6467 12.0664 12.0768 12.7093 12.7177 13.5999 13.6036 13.8288 13.8385 k =-0.3096 0.3334 0.4550 ( 2305 PWs) bands (ev): -17.6738 -17.6738 -16.2448 -16.2409 -15.1792 -15.1748 -15.0791 -15.0741 -6.3056 -6.3024 -4.7640 -4.7574 -3.7134 -3.7094 -3.0835 -3.0716 -0.8353 -0.8281 -0.1325 -0.1321 0.4638 0.4689 0.9215 0.9312 1.5622 1.5666 1.9209 1.9282 2.3756 2.3839 2.6379 2.6398 12.0408 12.0514 12.7167 12.7250 13.6088 13.6129 13.8468 13.8564 k =-0.3028 0.3260 0.4449 ( 2309 PWs) bands (ev): -17.6923 -17.6922 -16.2225 -16.2187 -15.1772 -15.1728 -15.0730 -15.0679 -6.3585 -6.3555 -4.7377 -4.7311 -3.7379 -3.7338 -3.0795 -3.0675 -0.8382 -0.8308 -0.1296 -0.1295 0.4950 0.4999 0.9302 0.9402 1.5721 1.5767 1.9619 1.9687 2.3537 2.3615 2.6315 2.6333 12.0161 12.0271 12.7242 12.7324 13.6122 13.6166 13.8621 13.8717 k =-0.2959 0.3186 0.4348 ( 2311 PWs) bands (ev): -17.7117 -17.7116 -16.1989 -16.1951 -15.1750 -15.1707 -15.0668 -15.0616 -6.4119 -6.4090 -4.7122 -4.7055 -3.7623 -3.7581 -3.0763 -3.0643 -0.8394 -0.8319 -0.1237 -0.1236 0.5262 0.5311 0.9386 0.9489 1.5798 1.5845 1.9984 2.0044 2.3349 2.3420 2.6259 2.6276 11.9926 12.0038 12.7320 12.7401 13.6094 13.6140 13.8747 13.8842 k =-0.2890 0.3112 0.4247 ( 2319 PWs) bands (ev): -17.7320 -17.7319 -16.1739 -16.1701 -15.1726 -15.1683 -15.0605 -15.0553 -6.4656 -6.4628 -4.6876 -4.6809 -3.7867 -3.7824 -3.0741 -3.0622 -0.8391 -0.8315 -0.1146 -0.1143 0.5575 0.5623 0.9468 0.9574 1.5852 1.5902 2.0290 2.0338 2.3205 2.3265 2.6210 2.6226 11.9699 11.9814 12.7400 12.7479 13.5996 13.6043 13.8846 13.8938 k =-0.2821 0.3038 0.4146 ( 2323 PWs) bands (ev): -17.7531 -17.7530 -16.1476 -16.1439 -15.1701 -15.1657 -15.0541 -15.0488 -6.5196 -6.5169 -4.6638 -4.6571 -3.8109 -3.8065 -3.0729 -3.0610 -0.8374 -0.8297 -0.1021 -0.1017 0.5886 0.5934 0.9546 0.9657 1.5885 1.5937 2.0519 2.0551 2.3126 2.3170 2.6170 2.6185 11.9481 11.9598 12.7481 12.7558 13.5823 13.5869 13.8920 13.9008 k =-0.2752 0.2964 0.4045 ( 2323 PWs) bands (ev): -17.7749 -17.7748 -16.1202 -16.1164 -15.1673 -15.1630 -15.0476 -15.0423 -6.5738 -6.5712 -4.6409 -4.6342 -3.8350 -3.8305 -3.0728 -3.0609 -0.8345 -0.8267 -0.0862 -0.0856 0.6193 0.6242 0.9622 0.9737 1.5896 1.5951 2.0655 2.0668 2.3125 2.3148 2.6141 2.6154 11.9271 11.9390 12.7564 12.7640 13.5569 13.5613 13.8970 13.9055 k =-0.2684 0.2890 0.3944 ( 2319 PWs) bands (ev): -17.7973 -17.7972 -16.0915 -16.0878 -15.1644 -15.1601 -15.0410 -15.0356 -6.6281 -6.6255 -4.6190 -4.6123 -3.8587 -3.8541 -3.0738 -3.0620 -0.8306 -0.8226 -0.0668 -0.0660 0.6493 0.6543 0.9696 0.9816 1.5888 1.5945 2.0684 2.0701 2.3201 2.3207 2.6123 2.6134 11.9067 11.9187 12.7650 12.7723 13.5231 13.5274 13.9002 13.9082 k =-0.2615 0.2816 0.3842 ( 2319 PWs) bands (ev): -17.8203 -17.8202 -16.0619 -16.0582 -15.1614 -15.1572 -15.0344 -15.0290 -6.6823 -6.6799 -4.5980 -4.5914 -3.8821 -3.8774 -3.0759 -3.0641 -0.8257 -0.8177 -0.0439 -0.0430 0.6784 0.6836 0.9770 0.9894 1.5861 1.5920 2.0625 2.0659 2.3324 2.3341 2.6118 2.6127 11.8866 11.8988 12.7738 12.7808 13.4811 13.4852 13.9018 13.9093 k =-0.2546 0.2741 0.3741 ( 2313 PWs) bands (ev): -17.8437 -17.8436 -16.0312 -16.0276 -15.1582 -15.1540 -15.0277 -15.0223 -6.7366 -6.7343 -4.5780 -4.5714 -3.9051 -3.9004 -3.0791 -3.0675 -0.8199 -0.8119 -0.0175 -0.0165 0.7061 0.7116 0.9845 0.9975 1.5818 1.5880 2.0511 2.0557 2.3485 2.3514 2.6127 2.6134 11.8667 11.8790 12.7828 12.7896 13.4312 13.4351 13.9022 13.9092 k =-0.2477 0.2667 0.3640 ( 2317 PWs) bands (ev): -17.8675 -17.8674 -15.9996 -15.9960 -15.1550 -15.1508 -15.0210 -15.0156 -6.7907 -6.7885 -4.5588 -4.5523 -3.9277 -3.9229 -3.0836 -3.0720 -0.8134 -0.8054 0.0123 0.0134 0.7318 0.7377 0.9926 1.0061 1.5761 1.5825 2.0362 2.0416 2.3665 2.3700 2.6150 2.6157 11.8467 11.8590 12.7921 12.7985 13.3741 13.3780 13.9016 13.9082 k =-0.2408 0.2593 0.3539 ( 2317 PWs) bands (ev): -17.8916 -17.8915 -15.9672 -15.9637 -15.1516 -15.1475 -15.0142 -15.0089 -6.8445 -6.8425 -4.5406 -4.5342 -3.9498 -3.9449 -3.0893 -3.0778 -0.8063 -0.7982 0.0453 0.0465 0.7551 0.7613 1.0017 1.0158 1.5693 1.5759 2.0193 2.0253 2.3847 2.3884 2.6187 2.6196 11.8263 11.8385 12.8017 12.8075 13.3108 13.3149 13.9004 13.9067 k =-0.2339 0.2519 0.3438 ( 2327 PWs) bands (ev): -17.9160 -17.9158 -15.9341 -15.9306 -15.1482 -15.1442 -15.0075 -15.0022 -6.8982 -6.8962 -4.5232 -4.5169 -3.9713 -3.9663 -3.0962 -3.0849 -0.7985 -0.7905 0.0815 0.0827 0.7750 0.7815 1.0126 1.0271 1.5616 1.5684 2.0013 2.0075 2.4021 2.4058 2.6238 2.6251 11.8052 11.8173 12.8113 12.8163 13.2428 13.2471 13.8987 13.9046 k =-0.2271 0.2445 0.3337 ( 2331 PWs) bands (ev): -17.9404 -17.9403 -15.9004 -15.8969 -15.1447 -15.1407 -15.0008 -14.9955 -6.9515 -6.9496 -4.5067 -4.5005 -3.9923 -3.9872 -3.1043 -3.0931 -0.7902 -0.7822 0.1206 0.1218 0.7911 0.7977 1.0259 1.0406 1.5534 1.5603 1.9827 1.9890 2.4182 2.4217 2.6301 2.6320 11.7832 11.7950 12.8204 12.8242 13.1717 13.1766 13.8966 13.9023 k =-0.2202 0.2371 0.3236 ( 2327 PWs) bands (ev): -17.9649 -17.9647 -15.8661 -15.8627 -15.1412 -15.1373 -14.9940 -14.9888 -7.0043 -7.0026 -4.4910 -4.4848 -4.0126 -4.0075 -3.1137 -3.1027 -0.7814 -0.7734 0.1625 0.1637 0.8027 0.8091 1.0421 1.0566 1.5449 1.5519 1.9637 1.9702 2.4328 2.4359 2.6376 2.6400 11.7598 11.7713 12.8274 12.8294 13.1004 13.1064 13.8943 13.8997 k =-0.2133 0.2297 0.3135 ( 2327 PWs) bands (ev): -17.9893 -17.9892 -15.8313 -15.8280 -15.1376 -15.1338 -14.9873 -14.9822 -7.0567 -7.0551 -4.4760 -4.4700 -4.0322 -4.0270 -3.1242 -3.1134 -0.7720 -0.7642 0.2070 0.2082 0.8097 0.8158 1.0614 1.0755 1.5364 1.5434 1.9446 1.9511 2.4458 2.4486 2.6458 2.6487 11.7347 11.7458 12.8264 12.8291 13.0341 13.0426 13.8917 13.8969 k =-0.2064 0.2223 0.3033 ( 2327 PWs) bands (ev): -18.0136 -18.0135 -15.7962 -15.7929 -15.1340 -15.1303 -14.9807 -14.9756 -7.1085 -7.1070 -4.4617 -4.4558 -4.0511 -4.0459 -3.1360 -3.1254 -0.7622 -0.7545 0.2537 0.2549 0.8123 0.8177 1.0834 1.0970 1.5281 1.5351 1.9255 1.9319 2.4574 2.4598 2.6545 2.6579 11.7077 11.7182 12.8064 12.8138 12.9841 12.9962 13.8889 13.8939 k =-0.1995 0.2149 0.2932 ( 2327 PWs) bands (ev): -18.0378 -18.0377 -15.7608 -15.7576 -15.1304 -15.1267 -14.9741 -14.9691 -7.1597 -7.1583 -4.4481 -4.4423 -4.0692 -4.0639 -3.1490 -3.1385 -0.7520 -0.7443 0.3025 0.3036 0.8107 0.8156 1.1079 1.1207 1.5201 1.5271 1.9063 1.9126 2.4679 2.4700 2.6633 2.6671 11.6783 11.6883 12.7604 12.7705 12.9631 12.9768 13.8859 13.8908 k =-0.1927 0.2075 0.2831 ( 2323 PWs) bands (ev): -18.0617 -18.0616 -15.7252 -15.7221 -15.1268 -15.1233 -14.9676 -14.9627 -7.2101 -7.2089 -4.4350 -4.4294 -4.0865 -4.0812 -3.1631 -3.1528 -0.7412 -0.7338 0.3531 0.3541 0.8056 0.8100 1.1341 1.1462 1.5126 1.5195 1.8871 1.8934 2.4775 2.4794 2.6717 2.6759 11.6464 11.6556 12.6950 12.7055 12.9657 12.9788 13.8828 13.8875 k =-0.1858 0.2001 0.2730 ( 2315 PWs) bands (ev): -18.0853 -18.0852 -15.6896 -15.6866 -15.1233 -15.1198 -14.9612 -14.9563 -7.2598 -7.2587 -4.4226 -4.4171 -4.1030 -4.0977 -3.1782 -3.1682 -0.7301 -0.7228 0.4052 0.4061 0.7977 0.8015 1.1615 1.1731 1.5056 1.5124 1.8680 1.8742 2.4865 2.4881 2.6797 2.6842 11.6117 11.6201 12.6210 12.6314 12.9802 12.9922 13.8794 13.8841 k =-0.1789 0.1926 0.2629 ( 2333 PWs) bands (ev): -18.1085 -18.1084 -15.6540 -15.6510 -15.1198 -15.1164 -14.9548 -14.9502 -7.3087 -7.3076 -4.4107 -4.4054 -4.1186 -4.1133 -3.1945 -3.1846 -0.7186 -0.7115 0.4585 0.4593 0.7873 0.7906 1.1898 1.2008 1.4992 1.5059 1.8488 1.8549 2.4950 2.4964 2.6869 2.6916 11.5739 11.5815 12.5441 12.5545 13.0010 13.0120 13.8759 13.8804 k =-0.1720 0.1852 0.2528 ( 2333 PWs) bands (ev): -18.1313 -18.1312 -15.6185 -15.6157 -15.1163 -15.1130 -14.9486 -14.9441 -7.3566 -7.3557 -4.3992 -4.3941 -4.1334 -4.1281 -3.2117 -3.2021 -0.7067 -0.6998 0.5127 0.5135 0.7750 0.7780 1.2186 1.2291 1.4934 1.4999 1.8298 1.8358 2.5032 2.5045 2.6931 2.6979 11.5330 11.5398 12.4672 12.4777 13.0258 13.0360 13.8722 13.8766 k =-0.1651 0.1778 0.2427 ( 2327 PWs) bands (ev): -18.1536 -18.1535 -15.5833 -15.5805 -15.1129 -15.1097 -14.9425 -14.9381 -7.4035 -7.4027 -4.3882 -4.3833 -4.1472 -4.1419 -3.2298 -3.2204 -0.6945 -0.6877 0.5676 0.5682 0.7612 0.7640 1.2475 1.2577 1.4882 1.4946 1.8109 1.8168 2.5112 2.5124 2.6982 2.7032 11.4890 11.4949 12.3919 12.4024 13.0538 13.0632 13.8683 13.8726 k =-0.1583 0.1704 0.2326 ( 2327 PWs) bands (ev): -18.1754 -18.1753 -15.5484 -15.5457 -15.1095 -15.1065 -14.9366 -14.9323 -7.4493 -7.4486 -4.3777 -4.3729 -4.1601 -4.1548 -3.2487 -3.2395 -0.6820 -0.6754 0.6228 0.6233 0.7465 0.7489 1.2764 1.2862 1.4835 1.4897 1.7921 1.7979 2.5191 2.5202 2.7022 2.7073 11.4418 11.4469 12.3189 12.3296 13.0843 13.0931 13.8641 13.8684 k =-0.1514 0.1630 0.2225 ( 2327 PWs) bands (ev): -18.1965 -18.1965 -15.5139 -15.5113 -15.1062 -15.1033 -14.9308 -14.9267 -7.4940 -7.4934 -4.3675 -4.3629 -4.1721 -4.1668 -3.2683 -3.2594 -0.6693 -0.6629 0.6779 0.6783 0.7311 0.7333 1.3051 1.3146 1.4794 1.4854 1.7736 1.7793 2.5269 2.5280 2.7051 2.7101 11.3917 11.3959 12.2490 12.2597 13.1171 13.1253 13.8598 13.8639 k =-0.1445 0.1556 0.2123 ( 2327 PWs) bands (ev): -18.2171 -18.2170 -15.4800 -15.4775 -15.1031 -15.1003 -14.9252 -14.9212 -7.5375 -7.5369 -4.3577 -4.3533 -4.1831 -4.1779 -3.2886 -3.2799 -0.6563 -0.6501 0.7135 0.7159 0.7339 0.7350 1.3333 1.3427 1.4757 1.4816 1.7553 1.7610 2.5347 2.5357 2.7068 2.7118 11.3389 11.3424 12.1825 12.1932 13.1518 13.1594 13.8552 13.8592 k =-0.1376 0.1482 0.2022 ( 2327 PWs) bands (ev): -18.2370 -18.2369 -15.4468 -15.4444 -15.1000 -15.0973 -14.9198 -14.9160 -7.5796 -7.5791 -4.3483 -4.3441 -4.1931 -4.1880 -3.3094 -3.3010 -0.6432 -0.6373 0.6981 0.7001 0.7878 0.7883 1.3610 1.3703 1.4725 1.4782 1.7375 1.7431 2.5423 2.5433 2.7073 2.7123 11.2838 11.2866 12.1197 12.1302 13.1881 13.1952 13.8504 13.8543 k =-0.1307 0.1408 0.1921 ( 2327 PWs) bands (ev): -18.2561 -18.2561 -15.4142 -15.4120 -15.0970 -15.0944 -14.9145 -14.9109 -7.6204 -7.6199 -4.3393 -4.3353 -4.2023 -4.1972 -3.3306 -3.3224 -0.6300 -0.6243 0.6819 0.6838 0.8413 0.8417 1.3878 1.3973 1.4697 1.4755 1.7201 1.7256 2.5500 2.5510 2.7068 2.7117 11.2269 11.2291 12.0606 12.0710 13.2258 13.2323 13.8454 13.8492 k =-0.1239 0.1334 0.1820 ( 2327 PWs) bands (ev): -18.2745 -18.2745 -15.3826 -15.3804 -15.0941 -15.0917 -14.9094 -14.9060 -7.6597 -7.6593 -4.3306 -4.3268 -4.2104 -4.2054 -3.3520 -3.3442 -0.6168 -0.6114 0.6658 0.6676 0.8936 0.8940 1.4136 1.4236 1.4674 1.4734 1.7032 1.7087 2.5575 2.5585 2.7054 2.7101 11.1686 11.1703 12.0052 12.0153 13.2646 13.2707 13.8403 13.8439 k =-0.1170 0.1260 0.1719 ( 2331 PWs) bands (ev): -18.2921 -18.2921 -15.3519 -15.3498 -15.0914 -15.0891 -14.9046 -14.9014 -7.6974 -7.6971 -4.3222 -4.3186 -4.2177 -4.2128 -3.3736 -3.3660 -0.6037 -0.5985 0.6500 0.6517 0.9444 0.9448 1.4375 1.4487 1.4659 1.4729 1.6870 1.6925 2.5649 2.5659 2.7030 2.7076 11.1096 11.1109 11.9535 11.9633 13.3042 13.3097 13.8350 13.8385 k =-0.1101 0.1185 0.1618 ( 2329 PWs) bands (ev): -18.3089 -18.3088 -15.3223 -15.3203 -15.0887 -15.0866 -14.9000 -14.8969 -7.7335 -7.7333 -4.3142 -4.3109 -4.2240 -4.2192 -3.3952 -3.3879 -0.5907 -0.5857 0.6347 0.6363 0.9932 0.9938 1.4554 1.4630 1.4746 1.4781 1.6715 1.6772 2.5721 2.5731 2.6998 2.7043 11.0506 11.0515 11.9054 11.9148 13.3442 13.3493 13.8296 13.8329 k =-0.1032 0.1111 0.1517 ( 2327 PWs) bands (ev): -18.3248 -18.3247 -15.2938 -15.2920 -15.0862 -15.0842 -14.8956 -14.8928 -7.7680 -7.7678 -4.3066 -4.3035 -4.2294 -4.2248 -3.4166 -3.4097 -0.5779 -0.5732 0.6200 0.6215 1.0397 1.0404 1.4610 1.4633 1.4937 1.4983 1.6568 1.6627 2.5792 2.5801 2.6960 2.7003 10.9920 10.9926 11.8606 11.8696 13.3844 13.3891 13.8242 13.8273 k =-0.0963 0.1037 0.1416 ( 2327 PWs) bands (ev): -18.3398 -18.3397 -15.2666 -15.2650 -15.0839 -15.0820 -14.8915 -14.8888 -7.8006 -7.8004 -4.2993 -4.2964 -4.2340 -4.2295 -3.4377 -3.4311 -0.5653 -0.5609 0.6059 0.6073 1.0834 1.0844 1.4621 1.4638 1.5143 1.5207 1.6430 1.6493 2.5860 2.5869 2.6916 2.6957 10.9344 10.9349 11.8192 11.8277 13.4244 13.4287 13.8188 13.8217 k =-0.0895 0.0963 0.1315 ( 2319 PWs) bands (ev): -18.3539 -18.3538 -15.2408 -15.2393 -15.0816 -15.0798 -14.8876 -14.8851 -7.8314 -7.8313 -4.2925 -4.2898 -4.2378 -4.2335 -3.4584 -3.4522 -0.5532 -0.5491 0.5926 0.5939 1.1240 1.1252 1.4633 1.4649 1.5344 1.5421 1.6302 1.6372 2.5926 2.5935 2.6868 2.6907 10.8786 10.8789 11.7810 11.7889 13.4638 13.4678 13.8134 13.8162 k =-0.0826 0.0889 0.1213 ( 2323 PWs) bands (ev): -18.3670 -18.3670 -15.2165 -15.2151 -15.0795 -15.0779 -14.8839 -14.8817 -7.8602 -7.8601 -4.2860 -4.2836 -4.2408 -4.2367 -3.4785 -3.4726 -0.5415 -0.5377 0.5802 0.5813 1.1610 1.1624 1.4656 1.4669 1.5530 1.5623 1.6184 1.6268 2.5989 2.5997 2.6817 2.6854 10.8248 10.8250 11.7459 11.7532 13.5023 13.5059 13.8081 13.8108 k =-0.0757 0.0815 0.1112 ( 2321 PWs) bands (ev): -18.3792 -18.3791 -15.1937 -15.1924 -15.0776 -15.0761 -14.8806 -14.8785 -7.8871 -7.8870 -4.2800 -4.2778 -4.2431 -4.2393 -3.4978 -3.4923 -0.5304 -0.5269 0.5685 0.5696 1.1938 1.1955 1.4693 1.4703 1.5688 1.5813 1.6077 1.6191 2.6048 2.6055 2.6765 2.6799 10.7737 10.7738 11.7137 11.7205 13.5395 13.5428 13.8031 13.8055 k =-0.0688 0.0741 0.1011 ( 2319 PWs) bands (ev): -18.3904 -18.3903 -15.1726 -15.1714 -15.0758 -15.0744 -14.8775 -14.8756 -7.9119 -7.9118 -4.2744 -4.2724 -4.2447 -4.2412 -3.5162 -3.5110 -0.5199 -0.5167 0.5578 0.5588 1.2221 1.2240 1.4747 1.4754 1.5790 1.5978 1.5990 1.6168 2.6103 2.6109 2.6712 2.6743 10.7257 10.7257 11.6845 11.6906 13.5751 13.5781 13.7982 13.8005 k =-0.0619 0.0667 0.0910 ( 2323 PWs) bands (ev): -18.4005 -18.4005 -15.1532 -15.1521 -15.0741 -15.0729 -14.8746 -14.8730 -7.9345 -7.9344 -4.2692 -4.2675 -4.2458 -4.2426 -3.5334 -3.5287 -0.5101 -0.5072 0.5481 0.5490 1.2457 1.2477 1.4819 1.4823 1.5808 1.5894 1.6150 1.6226 2.6153 2.6159 2.6660 2.6689 10.6810 10.6811 11.6581 11.6637 13.6086 13.6114 13.7937 13.7958 k =-0.0550 0.0593 0.0809 ( 2325 PWs) bands (ev): -18.4097 -18.4097 -15.1356 -15.1347 -15.0726 -15.0716 -14.8721 -14.8706 -7.9549 -7.9549 -4.2646 -4.2632 -4.2463 -4.2435 -3.5494 -3.5451 -0.5011 -0.4985 0.5393 0.5401 1.2645 1.2666 1.4907 1.4908 1.5776 1.5820 1.6296 1.6331 2.6199 2.6204 2.6610 2.6636 10.6402 10.6402 11.6346 11.6395 13.6398 13.6422 13.7896 13.7915 k =-0.0482 0.0519 0.0708 ( 2317 PWs) bands (ev): -18.4178 -18.4178 -15.1199 -15.1191 -15.0713 -15.0704 -14.8698 -14.8686 -7.9731 -7.9731 -4.2605 -4.2593 -4.2464 -4.2440 -3.5639 -3.5601 -0.4929 -0.4906 0.5315 0.5322 1.2789 1.2810 1.5007 1.5007 1.5732 1.5758 1.6427 1.6444 2.6240 2.6243 2.6564 2.6588 10.6034 10.6035 11.6139 11.6182 13.6681 13.6703 13.7860 13.7877 k =-0.0413 0.0445 0.0607 ( 2323 PWs) bands (ev): -18.4249 -18.4248 -15.1062 -15.1055 -15.0701 -15.0693 -14.8679 -14.8668 -7.9890 -7.9889 -4.2571 -4.2561 -4.2460 -4.2442 -3.5769 -3.5736 -0.4857 -0.4837 0.5248 0.5254 1.2895 1.2915 1.5109 1.5111 1.5691 1.5707 1.6542 1.6550 2.6275 2.6277 2.6523 2.6544 10.5710 10.5711 11.5960 11.5997 13.6932 13.6952 13.7830 13.7845 k =-0.0344 0.0370 0.0506 ( 2323 PWs) bands (ev): -18.4308 -18.4308 -15.0945 -15.0939 -15.0690 -15.0684 -14.8662 -14.8653 -8.0025 -8.0024 -4.2542 -4.2534 -4.2453 -4.2441 -3.5881 -3.5853 -0.4794 -0.4778 0.5190 0.5195 1.2971 1.2989 1.5208 1.5210 1.5658 1.5668 1.6639 1.6643 2.6303 2.6304 2.6488 2.6506 10.5433 10.5433 11.5809 11.5840 13.7146 13.7164 13.7808 13.7821 k =-0.0275 0.0296 0.0404 ( 2319 PWs) bands (ev): -18.4358 -18.4357 -15.0849 -15.0845 -15.0680 -15.0675 -14.8648 -14.8641 -8.0136 -8.0135 -4.2521 -4.2513 -4.2445 -4.2437 -3.5974 -3.5951 -0.4742 -0.4729 0.5144 0.5148 1.3024 1.3039 1.5293 1.5295 1.5637 1.5644 1.6720 1.6722 2.6323 2.6325 2.6462 2.6477 10.5203 10.5203 11.5686 11.5711 13.7319 13.7335 13.7797 13.7808 k =-0.0206 0.0222 0.0303 ( 2315 PWs) bands (ev): -18.4396 -18.4396 -15.0776 -15.0773 -15.0670 -15.0667 -14.8637 -14.8632 -8.0222 -8.0222 -4.2506 -4.2498 -4.2436 -4.2432 -3.6047 -3.6030 -0.4700 -0.4690 0.5107 0.5110 1.3060 1.3071 1.5356 1.5358 1.5631 1.5636 1.6783 1.6784 2.6336 2.6338 2.6445 2.6456 10.5022 10.5023 11.5591 11.5610 13.7445 13.7458 13.7800 13.7809 k =-0.0138 0.0148 0.0202 ( 2315 PWs) bands (ev): -18.4423 -18.4423 -15.0728 -15.0725 -15.0658 -15.0657 -14.8629 -14.8625 -8.0285 -8.0284 -4.2495 -4.2489 -4.2428 -4.2427 -3.6099 -3.6088 -0.4670 -0.4663 0.5081 0.5083 1.3082 1.3090 1.5393 1.5395 1.5637 1.5640 1.6828 1.6829 2.6340 2.6343 2.6437 2.6445 10.4893 10.4893 11.5524 11.5537 13.7522 13.7531 13.7818 13.7824 k =-0.0069 0.0074 0.0101 ( 2309 PWs) bands (ev): -18.4440 -18.4440 -15.0704 -15.0702 -15.0646 -15.0646 -14.8624 -14.8622 -8.0322 -8.0322 -4.2488 -4.2485 -4.2423 -4.2422 -3.6130 -3.6124 -0.4651 -0.4648 0.5066 0.5067 1.3096 1.3100 1.5410 1.5411 1.5648 1.5649 1.6856 1.6856 2.6341 2.6343 2.6436 2.6439 10.4814 10.4814 11.5485 11.5492 13.7559 13.7564 13.7840 13.7843 k = 0.0000 0.0000 0.0000 ( 2317 PWs) bands (ev): -18.4445 -18.4445 -15.0697 -15.0697 -15.0640 -15.0640 -14.8621 -14.8621 -8.0334 -8.0334 -4.2485 -4.2485 -4.2421 -4.2421 -3.6138 -3.6138 -0.4644 -0.4644 0.5061 0.5061 1.3101 1.3101 1.5415 1.5415 1.5653 1.5653 1.6865 1.6865 2.6342 2.6342 2.6437 2.6437 10.4788 10.4788 11.5475 11.5475 13.7571 13.7571 13.7850 13.7850 k = 0.0000 0.0000 0.0000 ( 2317 PWs) bands (ev): -18.4445 -18.4445 -15.0697 -15.0697 -15.0640 -15.0640 -14.8621 -14.8621 -8.0334 -8.0334 -4.2485 -4.2485 -4.2421 -4.2421 -3.6138 -3.6138 -0.4644 -0.4644 0.5061 0.5061 1.3101 1.3101 1.5415 1.5415 1.5653 1.5653 1.6865 1.6865 2.6342 2.6342 2.6437 2.6437 10.4788 10.4788 11.5475 11.5475 13.7571 13.7571 13.7850 13.7850 k = 0.0104 0.0097-0.0000 ( 2309 PWs) bands (ev): -18.4439 -18.4439 -15.0698 -15.0698 -15.0642 -15.0642 -14.8636 -14.8636 -8.0316 -8.0316 -4.2476 -4.2476 -4.2412 -4.2412 -3.6146 -3.6146 -0.4636 -0.4636 0.5053 0.5053 1.3100 1.3100 1.5408 1.5408 1.5645 1.5645 1.6849 1.6849 2.6341 2.6341 2.6436 2.6436 10.4814 10.4814 11.5492 11.5492 13.7555 13.7555 13.7834 13.7834 k = 0.0208 0.0193-0.0000 ( 2317 PWs) bands (ev): -18.4421 -18.4421 -15.0701 -15.0701 -15.0645 -15.0645 -14.8678 -14.8678 -8.0261 -8.0261 -4.2451 -4.2451 -4.2387 -4.2387 -3.6169 -3.6169 -0.4615 -0.4615 0.5028 0.5028 1.3098 1.3098 1.5384 1.5384 1.5622 1.5622 1.6799 1.6799 2.6338 2.6338 2.6434 2.6434 10.4889 10.4889 11.5544 11.5544 13.7506 13.7506 13.7783 13.7783 k = 0.0312 0.0290-0.0000 ( 2317 PWs) bands (ev): -18.4391 -18.4391 -15.0707 -15.0707 -15.0651 -15.0651 -14.8748 -14.8748 -8.0170 -8.0170 -4.2409 -4.2409 -4.2345 -4.2345 -3.6208 -3.6208 -0.4579 -0.4579 0.4987 0.4987 1.3093 1.3093 1.5344 1.5344 1.5582 1.5582 1.6718 1.6718 2.6334 2.6334 2.6432 2.6432 10.5015 10.5015 11.5631 11.5631 13.7424 13.7424 13.7701 13.7701 k = 0.0417 0.0387-0.0000 ( 2313 PWs) bands (ev): -18.4348 -18.4348 -15.0715 -15.0715 -15.0658 -15.0658 -14.8846 -14.8846 -8.0043 -8.0043 -4.2351 -4.2351 -4.2287 -4.2287 -3.6263 -3.6263 -0.4528 -0.4528 0.4929 0.4929 1.3086 1.3086 1.5289 1.5289 1.5527 1.5527 1.6606 1.6606 2.6329 2.6329 2.6428 2.6428 10.5191 10.5191 11.5752 11.5752 13.7312 13.7312 13.7586 13.7586 k = 0.0521 0.0484-0.0000 ( 2317 PWs) bands (ev): -18.4294 -18.4294 -15.0725 -15.0725 -15.0669 -15.0669 -14.8972 -14.8972 -7.9880 -7.9880 -4.2276 -4.2276 -4.2211 -4.2211 -3.6334 -3.6334 -0.4464 -0.4464 0.4856 0.4856 1.3075 1.3075 1.5217 1.5217 1.5456 1.5456 1.6465 1.6465 2.6323 2.6323 2.6424 2.6424 10.5415 10.5415 11.5907 11.5907 13.7170 13.7170 13.7442 13.7442 k = 0.0625 0.0580-0.0000 ( 2325 PWs) bands (ev): -18.4228 -18.4228 -15.0737 -15.0737 -15.0681 -15.0681 -14.9124 -14.9124 -7.9682 -7.9682 -4.2185 -4.2185 -4.2120 -4.2120 -3.6420 -3.6420 -0.4385 -0.4385 0.4766 0.4766 1.3059 1.3059 1.5129 1.5129 1.5368 1.5368 1.6296 1.6296 2.6317 2.6317 2.6420 2.6420 10.5687 10.5687 11.6095 11.6095 13.7000 13.7000 13.7269 13.7269 k = 0.0729 0.0677-0.0000 ( 2317 PWs) bands (ev): -18.4150 -18.4150 -15.0752 -15.0752 -15.0695 -15.0695 -14.9302 -14.9302 -7.9450 -7.9450 -4.2077 -4.2077 -4.2012 -4.2012 -3.6521 -3.6521 -0.4293 -0.4293 0.4662 0.4662 1.3037 1.3037 1.5024 1.5024 1.5264 1.5264 1.6102 1.6102 2.6311 2.6311 2.6416 2.6416 10.6006 10.6006 11.6315 11.6315 13.6804 13.6804 13.7070 13.7070 k = 0.0833 0.0774-0.0000 ( 2317 PWs) bands (ev): -18.4060 -18.4060 -15.0768 -15.0768 -15.0711 -15.0711 -14.9506 -14.9506 -7.9184 -7.9184 -4.1954 -4.1954 -4.1889 -4.1889 -3.6638 -3.6638 -0.4186 -0.4186 0.4543 0.4543 1.3006 1.3006 1.4902 1.4902 1.5143 1.5143 1.5887 1.5887 2.6306 2.6306 2.6414 2.6414 10.6370 10.6370 11.6567 11.6567 13.6585 13.6585 13.6847 13.6847 k = 0.0938 0.0871-0.0000 ( 2317 PWs) bands (ev): -18.3958 -18.3958 -15.0786 -15.0786 -15.0729 -15.0729 -14.9734 -14.9734 -7.8885 -7.8885 -4.1816 -4.1816 -4.1750 -4.1750 -3.6771 -3.6771 -0.4066 -0.4066 0.4410 0.4410 1.2961 1.2961 1.4763 1.4763 1.5004 1.5004 1.5655 1.5655 2.6302 2.6302 2.6413 2.6413 10.6779 10.6779 11.6849 11.6849 13.6343 13.6343 13.6601 13.6601 k = 0.1042 0.0967-0.0000 ( 2317 PWs) bands (ev): -18.3844 -18.3844 -15.0807 -15.0807 -15.0749 -15.0749 -14.9986 -14.9986 -7.8555 -7.8555 -4.1662 -4.1662 -4.1595 -4.1595 -3.6918 -3.6918 -0.3932 -0.3932 0.4264 0.4264 1.2900 1.2900 1.4607 1.4607 1.4848 1.4848 1.5411 1.5411 2.6301 2.6301 2.6414 2.6414 10.7229 10.7229 11.7159 11.7159 13.6083 13.6083 13.6337 13.6337 k = 0.1146 0.1064-0.0000 ( 2313 PWs) bands (ev): -18.3719 -18.3719 -15.0829 -15.0829 -15.0771 -15.0771 -15.0260 -15.0260 -7.8193 -7.8193 -4.1494 -4.1494 -4.1426 -4.1426 -3.7081 -3.7081 -0.3785 -0.3785 0.4105 0.4105 1.2815 1.2815 1.4435 1.4435 1.4675 1.4675 1.5164 1.5164 2.6303 2.6303 2.6417 2.6417 10.7721 10.7721 11.7497 11.7497 13.5805 13.5805 13.6055 13.6055 k = 0.1250 0.1161-0.0000 ( 2313 PWs) bands (ev): -18.3583 -18.3583 -15.0855 -15.0855 -15.0795 -15.0795 -15.0554 -15.0554 -7.7802 -7.7802 -4.1311 -4.1311 -4.1242 -4.1242 -3.7259 -3.7259 -0.3625 -0.3625 0.3934 0.3934 1.2698 1.2698 1.4247 1.4247 1.4484 1.4484 1.4920 1.4920 2.6308 2.6308 2.6424 2.6424 10.8251 10.8251 11.7862 11.7862 13.5513 13.5513 13.5758 13.5758 k = 0.1354 0.1258-0.0000 ( 2309 PWs) bands (ev): -18.3435 -18.3435 -15.0913 -15.0913 -15.0838 -15.0838 -15.0820 -15.0820 -7.7382 -7.7382 -4.1114 -4.1114 -4.1045 -4.1045 -3.7451 -3.7451 -0.3453 -0.3453 0.3752 0.3752 1.2541 1.2541 1.4045 1.4045 1.4275 1.4275 1.4691 1.4691 2.6317 2.6317 2.6434 2.6434 10.8819 10.8819 11.8251 11.8251 13.5208 13.5208 13.5448 13.5448 k = 0.1458 0.1354-0.0000 ( 2305 PWs) bands (ev): -18.3276 -18.3276 -15.1217 -15.1217 -15.0898 -15.0898 -15.0846 -15.0846 -7.6934 -7.6934 -4.0904 -4.0904 -4.0834 -4.0834 -3.7659 -3.7659 -0.3268 -0.3268 0.3561 0.3561 1.2336 1.2336 1.3827 1.3827 1.4049 1.4049 1.4483 1.4483 2.6331 2.6331 2.6449 2.6449 10.9421 10.9421 11.8663 11.8663 13.4893 13.4893 13.5129 13.5129 k = 0.1562 0.1451-0.0000 ( 2306 PWs) bands (ev): -18.3105 -18.3105 -15.1570 -15.1570 -15.0928 -15.0928 -15.0874 -15.0874 -7.6460 -7.6460 -4.0681 -4.0681 -4.0610 -4.0610 -3.7882 -3.7882 -0.3071 -0.3071 0.3360 0.3360 1.2080 1.2080 1.3594 1.3594 1.3806 1.3806 1.4304 1.4304 2.6349 2.6349 2.6468 2.6468 11.0056 11.0056 11.9096 11.9096 13.4569 13.4569 13.4801 13.4801 k = 0.1667 0.1548-0.0000 ( 2306 PWs) bands (ev): -18.2925 -18.2925 -15.1941 -15.1941 -15.0957 -15.0957 -15.0903 -15.0903 -7.5961 -7.5961 -4.0446 -4.0446 -4.0374 -4.0374 -3.8119 -3.8119 -0.2863 -0.2863 0.3151 0.3151 1.1775 1.1775 1.3343 1.3343 1.3547 1.3547 1.4154 1.4154 2.6372 2.6372 2.6491 2.6491 11.0721 11.0721 11.9548 11.9548 13.4240 13.4240 13.4466 13.4466 k = 0.1771 0.1645-0.0000 ( 2306 PWs) bands (ev): -18.2733 -18.2733 -15.2329 -15.2329 -15.0988 -15.0988 -15.0933 -15.0933 -7.5438 -7.5438 -4.0200 -4.0200 -4.0127 -4.0127 -3.8371 -3.8371 -0.2644 -0.2644 0.2936 0.2936 1.1427 1.1427 1.3076 1.3076 1.3271 1.3271 1.4031 1.4031 2.6401 2.6401 2.6520 2.6520 11.1415 11.1415 12.0017 12.0017 13.3905 13.3905 13.4127 13.4127 k = 0.1875 0.1741-0.0000 ( 2306 PWs) bands (ev): -18.2531 -18.2531 -15.2731 -15.2731 -15.1019 -15.1019 -15.0964 -15.0964 -7.4892 -7.4892 -3.9943 -3.9943 -3.9868 -3.9868 -3.8638 -3.8638 -0.2414 -0.2414 0.2715 0.2715 1.1044 1.1044 1.2791 1.2791 1.2979 1.2979 1.3928 1.3928 2.6434 2.6434 2.6553 2.6553 11.2134 11.2134 12.0501 12.0501 13.3568 13.3568 13.3786 13.3786 k = 0.1979 0.1838-0.0000 ( 2298 PWs) bands (ev): -18.2318 -18.2318 -15.3148 -15.3148 -15.1051 -15.1051 -15.0996 -15.0996 -7.4325 -7.4325 -3.9677 -3.9677 -3.9599 -3.9599 -3.8918 -3.8918 -0.2174 -0.2174 0.2490 0.2490 1.0633 1.0633 1.2491 1.2491 1.2673 1.2673 1.3838 1.3838 2.6474 2.6474 2.6591 2.6591 11.2877 11.2877 12.0998 12.0998 13.3230 13.3230 13.3444 13.3444 k = 0.2083 0.1935-0.0000 ( 2298 PWs) bands (ev): -18.2096 -18.2096 -15.3576 -15.3576 -15.1084 -15.1084 -15.1029 -15.1029 -7.3738 -7.3738 -3.9409 -3.9409 -3.9322 -3.9322 -3.9205 -3.9205 -0.1926 -0.1926 0.2263 0.2263 1.0201 1.0201 1.2177 1.2177 1.2353 1.2353 1.3755 1.3755 2.6518 2.6518 2.6634 2.6634 11.3641 11.3641 12.1505 12.1505 13.2892 13.2892 13.3101 13.3101 k = 0.2188 0.2031-0.0000 ( 2290 PWs) bands (ev): -18.1864 -18.1864 -15.4016 -15.4016 -15.1117 -15.1117 -15.1062 -15.1062 -7.3132 -7.3132 -3.9535 -3.9535 -3.9107 -3.9107 -3.9034 -3.9034 -0.1671 -0.1671 0.2035 0.2035 0.9754 0.9754 1.1850 1.1850 1.2021 1.2021 1.3676 1.3676 2.6567 2.6567 2.6682 2.6682 11.4424 11.4424 12.2021 12.2021 13.2556 13.2556 13.2761 13.2761 k = 0.2292 0.2128-0.0000 ( 2298 PWs) bands (ev): -18.1623 -18.1623 -15.4465 -15.4465 -15.1150 -15.1150 -15.1095 -15.1095 -7.2508 -7.2508 -3.9858 -3.9858 -3.8817 -3.8817 -3.8741 -3.8741 -0.1410 -0.1410 0.1809 0.1809 0.9296 0.9296 1.1511 1.1511 1.1678 1.1678 1.3597 1.3597 2.6621 2.6621 2.6734 2.6734 11.5222 11.5222 12.2542 12.2542 13.2223 13.2223 13.2424 13.2424 k = 0.2396 0.2225-0.0000 ( 2290 PWs) bands (ev): -18.1373 -18.1373 -15.4923 -15.4923 -15.1184 -15.1184 -15.1129 -15.1129 -7.1867 -7.1867 -4.0198 -4.0198 -3.8519 -3.8519 -3.8440 -3.8440 -0.1146 -0.1146 0.1588 0.1588 0.8832 0.8832 1.1163 1.1163 1.1324 1.1324 1.3515 1.3515 2.6680 2.6680 2.6791 2.6791 11.6034 11.6034 12.3068 12.3068 13.1894 13.1894 13.2090 13.2090 k = 0.2500 0.2322-0.0000 ( 2290 PWs) bands (ev): -18.1114 -18.1114 -15.5388 -15.5388 -15.1218 -15.1218 -15.1163 -15.1163 -7.1212 -7.1212 -4.0553 -4.0553 -3.8215 -3.8215 -3.8134 -3.8134 -0.0885 -0.0885 0.1378 0.1378 0.8366 0.8366 1.0806 1.0806 1.0962 1.0962 1.3428 1.3428 2.6742 2.6742 2.6851 2.6851 11.6856 11.6856 12.3594 12.3594 13.1570 13.1570 13.1762 13.1762 k = 0.2604 0.2418-0.0000 ( 2290 PWs) bands (ev): -18.0847 -18.0847 -15.5859 -15.5859 -15.1252 -15.1252 -15.1196 -15.1196 -7.0542 -7.0542 -4.0923 -4.0923 -3.7907 -3.7907 -3.7824 -3.7824 -0.0636 -0.0636 0.1189 0.1189 0.7899 0.7899 1.0442 1.0442 1.0592 1.0592 1.3335 1.3335 2.6808 2.6808 2.6914 2.6914 11.7685 11.7685 12.4119 12.4119 13.1253 13.1253 13.1441 13.1441 k = 0.2708 0.2515-0.0000 ( 2306 PWs) bands (ev): -18.0573 -18.0573 -15.6335 -15.6335 -15.1285 -15.1285 -15.1230 -15.1230 -6.9860 -6.9860 -4.1309 -4.1309 -3.7595 -3.7595 -3.7510 -3.7510 -0.0418 -0.0418 0.1040 0.1040 0.7435 0.7435 1.0072 1.0072 1.0217 1.0217 1.3235 1.3235 2.6877 2.6877 2.6980 2.6980 11.8519 11.8519 12.4641 12.4641 13.0942 13.0942 13.1126 13.1126 k = 0.2812 0.2612-0.0000 ( 2302 PWs) bands (ev): -18.0291 -18.0291 -15.6814 -15.6814 -15.1319 -15.1319 -15.1263 -15.1263 -6.9166 -6.9166 -4.1709 -4.1709 -3.7281 -3.7281 -3.7195 -3.7195 -0.0269 -0.0269 0.0969 0.0969 0.6978 0.6978 0.9699 0.9699 0.9839 0.9839 1.3127 1.3127 2.6948 2.6948 2.7048 2.7048 11.9355 11.9355 12.5156 12.5156 13.0640 13.0640 13.0820 13.0820 k = 0.2917 0.2709-0.0000 ( 2302 PWs) bands (ev): -18.0003 -18.0003 -15.7294 -15.7294 -15.1351 -15.1351 -15.1296 -15.1296 -6.8462 -6.8462 -4.2124 -4.2124 -3.6967 -3.6967 -3.6878 -3.6878 -0.0230 -0.0230 0.1018 0.1018 0.6528 0.6528 0.9324 0.9324 0.9458 0.9458 1.3009 1.3009 2.7021 2.7021 2.7118 2.7118 12.0189 12.0189 12.5664 12.5664 13.0346 13.0346 13.0523 13.0523 k = 0.3021 0.2805-0.0000 ( 2302 PWs) bands (ev): -17.9710 -17.9710 -15.7776 -15.7776 -15.1383 -15.1383 -15.1328 -15.1328 -6.7748 -6.7748 -4.2555 -4.2555 -3.6653 -3.6653 -3.6563 -3.6563 -0.0300 -0.0300 0.1185 0.1185 0.6090 0.6090 0.8949 0.8949 0.9078 0.9078 1.2882 1.2882 2.7095 2.7095 2.7189 2.7189 12.1018 12.1018 12.6160 12.6160 13.0063 13.0063 13.0235 13.0235 k = 0.3125 0.2902-0.0000 ( 2290 PWs) bands (ev): -17.9411 -17.9411 -15.8256 -15.8256 -15.1415 -15.1415 -15.1359 -15.1359 -6.7026 -6.7026 -4.3000 -4.3000 -3.6341 -3.6341 -3.6249 -3.6249 -0.0435 -0.0435 0.1427 0.1427 0.5665 0.5665 0.8576 0.8576 0.8700 0.8700 1.2744 1.2744 2.7171 2.7171 2.7261 2.7261 12.1838 12.1838 12.6644 12.6644 12.9790 12.9790 12.9958 12.9958 k = 0.3229 0.2999-0.0000 ( 2294 PWs) bands (ev): -17.9108 -17.9108 -15.8735 -15.8735 -15.1445 -15.1445 -15.1390 -15.1390 -6.6298 -6.6298 -4.3460 -4.3460 -3.6033 -3.6033 -3.5939 -3.5939 -0.0601 -0.0601 0.1707 0.1707 0.5257 0.5257 0.8207 0.8207 0.8325 0.8325 1.2596 1.2596 2.7246 2.7246 2.7333 2.7333 12.2646 12.2646 12.7113 12.7113 12.9528 12.9528 12.9692 12.9692 k = 0.3333 0.3096-0.0000 ( 2290 PWs) bands (ev): -17.8803 -17.8803 -15.9209 -15.9209 -15.1475 -15.1475 -15.1419 -15.1419 -6.5564 -6.5564 -4.3935 -4.3935 -3.5729 -3.5729 -3.5633 -3.5633 -0.0779 -0.0779 0.2004 0.2004 0.4870 0.4870 0.7843 0.7843 0.7956 0.7956 1.2437 1.2437 2.7321 2.7321 2.7404 2.7404 12.3439 12.3439 12.7565 12.7565 12.9280 12.9280 12.9438 12.9438 k = 0.3438 0.3192-0.0000 ( 2290 PWs) bands (ev): -17.8495 -17.8495 -15.9677 -15.9677 -15.1503 -15.1503 -15.1448 -15.1448 -6.4825 -6.4825 -4.4425 -4.4425 -3.5433 -3.5433 -3.5335 -3.5335 -0.0959 -0.0959 0.2304 0.2304 0.4510 0.4510 0.7488 0.7488 0.7596 0.7596 1.2268 1.2268 2.7394 2.7394 2.7474 2.7474 12.4211 12.4211 12.7995 12.7995 12.9046 12.9046 12.9197 12.9197 k = 0.3542 0.3289-0.0000 ( 2298 PWs) bands (ev): -17.8188 -17.8188 -16.0138 -16.0138 -15.1530 -15.1530 -15.1475 -15.1475 -6.4083 -6.4083 -4.4929 -4.4929 -3.5145 -3.5145 -3.5045 -3.5045 -0.1136 -0.1136 0.2588 0.2588 0.4193 0.4193 0.7142 0.7142 0.7245 0.7245 1.2088 1.2088 2.7466 2.7466 2.7543 2.7543 12.4960 12.4960 12.8390 12.8390 12.8839 12.8839 12.8968 12.8968 k = 0.3646 0.3386-0.0000 ( 2314 PWs) bands (ev): -17.7881 -17.7881 -16.0588 -16.0588 -15.1556 -15.1556 -15.1501 -15.1501 -6.3338 -6.3338 -4.5448 -4.5448 -3.4867 -3.4867 -3.4765 -3.4765 -0.1308 -0.1308 0.2816 0.2816 0.3958 0.3958 0.6808 0.6808 0.6906 0.6906 1.1898 1.1898 2.7536 2.7536 2.7609 2.7609 12.5680 12.5680 12.8544 12.8544 12.8749 12.8749 12.8868 12.8868 k = 0.3750 0.3482-0.0000 ( 2314 PWs) bands (ev): -17.7577 -17.7577 -16.1027 -16.1027 -15.1580 -15.1580 -15.1525 -15.1525 -6.2593 -6.2593 -4.5981 -4.5981 -3.4600 -3.4600 -3.4496 -3.4496 -0.1472 -0.1472 0.2898 0.2898 0.3892 0.3892 0.6488 0.6488 0.6582 0.6582 1.1698 1.1698 2.7603 2.7603 2.7672 2.7672 12.6369 12.6369 12.8379 12.8379 12.8549 12.8549 12.9203 12.9203 k = 0.3854 0.3579-0.0000 ( 2314 PWs) bands (ev): -17.7279 -17.7279 -16.1452 -16.1452 -15.1603 -15.1603 -15.1548 -15.1548 -6.1848 -6.1848 -4.6527 -4.6527 -3.4347 -3.4347 -3.4241 -3.4241 -0.1627 -0.1627 0.2792 0.2792 0.4037 0.4037 0.6185 0.6185 0.6274 0.6274 1.1489 1.1489 2.7667 2.7667 2.7733 2.7733 12.7021 12.7021 12.8202 12.8202 12.8363 12.8363 12.9542 12.9542 k = 0.3958 0.3676-0.0000 ( 2314 PWs) bands (ev): -17.6988 -17.6988 -16.1859 -16.1859 -15.1624 -15.1624 -15.1569 -15.1569 -6.1104 -6.1104 -4.7086 -4.7086 -3.4108 -3.4108 -3.4001 -3.4001 -0.1771 -0.1771 0.2593 0.2593 0.4297 0.4297 0.5899 0.5899 0.5985 0.5985 1.1271 1.1271 2.7727 2.7727 2.7790 2.7790 12.7627 12.7627 12.8040 12.8040 12.8191 12.8191 12.9860 12.9860 k = 0.4062 0.3773-0.0000 ( 2314 PWs) bands (ev): -17.6707 -17.6707 -16.2246 -16.2246 -15.1643 -15.1643 -15.1588 -15.1588 -6.0364 -6.0364 -4.7657 -4.7657 -3.3886 -3.3886 -3.3777 -3.3777 -0.1904 -0.1904 0.2375 0.2375 0.4597 0.4597 0.5634 0.5634 0.5716 0.5716 1.1047 1.1047 2.7783 2.7783 2.7842 2.7842 12.7867 12.7867 12.8030 12.8030 12.8218 12.8218 13.0152 13.0152 k = 0.4167 0.3869-0.0000 ( 2314 PWs) bands (ev): -17.6440 -17.6440 -16.2608 -16.2608 -15.1661 -15.1661 -15.1606 -15.1606 -5.9629 -5.9629 -4.8240 -4.8240 -3.3683 -3.3683 -3.3572 -3.3572 -0.2026 -0.2026 0.2164 0.2164 0.4910 0.4910 0.5391 0.5391 0.5469 0.5469 1.0816 1.0816 2.7835 2.7835 2.7891 2.7891 12.7735 12.7735 12.7891 12.7891 12.8729 12.8729 13.0417 13.0417 k = 0.4271 0.3966-0.0000 ( 2314 PWs) bands (ev): -17.6189 -17.6189 -16.2944 -16.2944 -15.1676 -15.1676 -15.1621 -15.1621 -5.8901 -5.8901 -4.8831 -4.8831 -3.3499 -3.3499 -3.3387 -3.3387 -0.2134 -0.2134 0.1970 0.1970 0.5163 0.5163 0.5220 0.5220 0.5260 0.5260 1.0583 1.0583 2.7881 2.7881 2.7934 2.7934 12.7613 12.7613 12.7765 12.7765 12.9195 12.9195 13.0655 13.0655 k = 0.4375 0.4063-0.0000 ( 2314 PWs) bands (ev): -17.5960 -17.5960 -16.3247 -16.3247 -15.1690 -15.1690 -15.1635 -15.1635 -5.8183 -5.8183 -4.9430 -4.9430 -3.3337 -3.3337 -3.3223 -3.3223 -0.2229 -0.2229 0.1797 0.1797 0.4976 0.4976 0.5049 0.5049 0.5534 0.5534 1.0349 1.0349 2.7922 2.7922 2.7972 2.7972 12.7506 12.7506 12.7655 12.7655 12.9606 12.9606 13.0863 13.0863 k = 0.4479 0.4160-0.0000 ( 2314 PWs) bands (ev): -17.5756 -17.5756 -16.3515 -16.3515 -15.1702 -15.1702 -15.1647 -15.1647 -5.7480 -5.7480 -5.0031 -5.0031 -3.3197 -3.3197 -3.3082 -3.3082 -0.2310 -0.2310 0.1648 0.1648 0.4809 0.4809 0.4880 0.4880 0.5827 0.5827 1.0120 1.0120 2.7957 2.7957 2.8005 2.8005 12.7415 12.7415 12.7562 12.7562 12.9958 12.9958 13.1043 13.1043 k = 0.4583 0.4256-0.0000 ( 2322 PWs) bands (ev): -17.5580 -17.5580 -16.3742 -16.3742 -15.1711 -15.1711 -15.1656 -15.1656 -5.6799 -5.6799 -5.0629 -5.0629 -3.3081 -3.3081 -3.2965 -3.2965 -0.2377 -0.2377 0.1525 0.1525 0.4671 0.4671 0.4739 0.4739 0.6098 0.6098 0.9903 0.9903 2.7986 2.7986 2.8032 2.8032 12.7339 12.7339 12.7486 12.7486 13.0248 13.0248 13.1192 13.1192 k = 0.4688 0.4353-0.0000 ( 2338 PWs) bands (ev): -17.5439 -17.5439 -16.3924 -16.3924 -15.1719 -15.1719 -15.1664 -15.1664 -5.6153 -5.6153 -5.1209 -5.1209 -3.2989 -3.2989 -3.2873 -3.2873 -0.2430 -0.2430 0.1429 0.1429 0.4562 0.4562 0.4629 0.4629 0.6337 0.6337 0.9707 0.9707 2.8009 2.8009 2.8053 2.8053 12.7280 12.7280 12.7426 12.7426 13.0475 13.0475 13.1310 13.1310 k = 0.4792 0.4450-0.0000 ( 2346 PWs) bands (ev): -17.5335 -17.5335 -16.4057 -16.4057 -15.1724 -15.1724 -15.1669 -15.1669 -5.5574 -5.5574 -5.1742 -5.1742 -3.2923 -3.2923 -3.2807 -3.2807 -0.2467 -0.2467 0.1359 0.1359 0.4483 0.4483 0.4549 0.4549 0.6528 0.6528 0.9546 0.9546 2.8025 2.8025 2.8068 2.8068 12.7238 12.7238 12.7383 12.7383 13.0637 13.0637 13.1396 13.1396 k = 0.4896 0.4547-0.0000 ( 2346 PWs) bands (ev): -17.5271 -17.5271 -16.4139 -16.4139 -15.1728 -15.1728 -15.1672 -15.1672 -5.5128 -5.5128 -5.2159 -5.2159 -3.2884 -3.2884 -3.2766 -3.2766 -0.2490 -0.2490 0.1317 0.1317 0.4436 0.4436 0.4501 0.4501 0.6655 0.6655 0.9438 0.9438 2.8035 2.8035 2.8077 2.8077 12.7213 12.7213 12.7357 12.7357 13.0734 13.0734 13.1448 13.1448 k = 0.5000 0.4643-0.0000 ( 2350 PWs) bands (ev): -17.5249 -17.5249 -16.4166 -16.4166 -15.1729 -15.1729 -15.1673 -15.1673 -5.4947 -5.4947 -5.2330 -5.2330 -3.2870 -3.2870 -3.2753 -3.2753 -0.2498 -0.2498 0.1303 0.1303 0.4420 0.4420 0.4485 0.4485 0.6699 0.6699 0.9400 0.9400 2.8039 2.8039 2.8080 2.8080 12.7205 12.7205 12.7349 12.7349 13.0766 13.0766 13.1466 13.1466 k = 0.5000 0.4643-0.0000 ( 2350 PWs) bands (ev): -17.5249 -17.5249 -16.4166 -16.4166 -15.1729 -15.1729 -15.1673 -15.1673 -5.4947 -5.4947 -5.2330 -5.2330 -3.2870 -3.2870 -3.2753 -3.2753 -0.2498 -0.2498 0.1303 0.1303 0.4420 0.4420 0.4485 0.4485 0.6699 0.6699 0.9400 0.9400 2.8039 2.8039 2.8080 2.8080 12.7205 12.7205 12.7349 12.7349 13.0766 13.0766 13.1466 13.1466 k = 0.4932 0.4716 0.0100 ( 2351 PWs) bands (ev): -17.5249 -17.5249 -16.4167 -16.4165 -15.1730 -15.1727 -15.1673 -15.1673 -5.4950 -5.4949 -5.2336 -5.2330 -3.2873 -3.2869 -3.2756 -3.2751 -0.2525 -0.2508 0.1239 0.1268 0.4388 0.4404 0.4535 0.4557 0.6726 0.6737 0.9419 0.9423 2.8032 2.8036 2.8075 2.8078 12.7182 12.7201 12.7334 12.7338 13.0776 13.0794 13.1480 13.1483 k = 0.4865 0.4789 0.0199 ( 2339 PWs) bands (ev): -17.5248 -17.5248 -16.4169 -16.4164 -15.1731 -15.1725 -15.1673 -15.1672 -5.4957 -5.4954 -5.2346 -5.2334 -3.2881 -3.2875 -3.2757 -3.2745 -0.2590 -0.2557 0.1095 0.1150 0.4255 0.4274 0.4765 0.4795 0.6809 0.6829 0.9481 0.9490 2.8017 2.8026 2.8061 2.8068 12.7134 12.7170 12.7295 12.7303 13.0823 13.0857 13.1527 13.1532 k = 0.4797 0.4862 0.0299 ( 2331 PWs) bands (ev): -17.5247 -17.5247 -16.4171 -16.4164 -15.1733 -15.1723 -15.1671 -15.1669 -5.4971 -5.4967 -5.2358 -5.2340 -3.2901 -3.2895 -3.2748 -3.2728 -0.2695 -0.2648 0.0915 0.0989 0.4051 0.4074 0.5114 0.5148 0.6928 0.6955 0.9587 0.9599 2.7991 2.8005 2.8041 2.8051 12.7058 12.7107 12.7238 12.7253 13.0903 13.0950 13.1609 13.1615 k = 0.4729 0.4935 0.0398 ( 2327 PWs) bands (ev): -17.5245 -17.5245 -16.4173 -16.4163 -15.1736 -15.1723 -15.1667 -15.1663 -5.4996 -5.4990 -5.2367 -5.2344 -3.2940 -3.2932 -3.2726 -3.2696 -0.2844 -0.2784 0.0738 0.0826 0.3802 0.3828 0.5541 0.5578 0.7063 0.7094 0.9734 0.9750 2.7954 2.7973 2.8015 2.8027 12.6953 12.7009 12.7168 12.7196 13.1010 13.1065 13.1727 13.1733 k = 0.4661 0.5008 0.0498 ( 2315 PWs) bands (ev): -17.5244 -17.5244 -16.4174 -16.4162 -15.1741 -15.1725 -15.1660 -15.1654 -5.5036 -5.5029 -5.2370 -5.2341 -3.2995 -3.2987 -3.2689 -3.2651 -0.3037 -0.2968 0.0590 0.0686 0.3524 0.3551 0.6019 0.6056 0.7204 0.7237 0.9921 0.9939 2.7906 2.7929 2.7986 2.7999 12.6818 12.6879 12.7094 12.7135 13.1136 13.1196 13.1882 13.1889 k = 0.4594 0.5081 0.0597 ( 2315 PWs) bands (ev): -17.5243 -17.5243 -16.4175 -16.4161 -15.1748 -15.1730 -15.1650 -15.1641 -5.5098 -5.5090 -5.2359 -5.2326 -3.3066 -3.3057 -3.2641 -3.2596 -0.3272 -0.3197 0.0485 0.0586 0.3229 0.3257 0.6521 0.6560 0.7350 0.7382 1.0142 1.0162 2.7845 2.7873 2.7951 2.7965 12.6654 12.6718 12.7018 12.7071 13.1277 13.1337 13.2072 13.2084 k = 0.4526 0.5154 0.0697 ( 2315 PWs) bands (ev): -17.5243 -17.5243 -16.4174 -16.4158 -15.1757 -15.1736 -15.1636 -15.1625 -5.5187 -5.5177 -5.2329 -5.2292 -3.3151 -3.3140 -3.2583 -3.2530 -0.3544 -0.3465 0.0426 0.0528 0.2923 0.2952 0.7007 0.7050 0.7530 0.7555 1.0394 1.0415 2.7773 2.7805 2.7912 2.7926 12.6465 12.6530 12.6945 12.7007 13.1430 13.1488 13.2294 13.2314 k = 0.4458 0.5227 0.0796 ( 2317 PWs) bands (ev): -17.5245 -17.5245 -16.4172 -16.4154 -15.1767 -15.1744 -15.1620 -15.1606 -5.5308 -5.5295 -5.2276 -5.2236 -3.3249 -3.3237 -3.2517 -3.2457 -0.3844 -0.3764 0.0414 0.0514 0.2614 0.2642 0.7349 0.7406 0.7852 0.7881 1.0669 1.0692 2.7688 2.7724 2.7867 2.7882 12.6253 12.6319 12.6875 12.6945 13.1595 13.1649 13.2545 13.2574 k = 0.4391 0.5300 0.0896 ( 2317 PWs) bands (ev): -17.5249 -17.5249 -16.4167 -16.4147 -15.1778 -15.1753 -15.1600 -15.1584 -5.5463 -5.5448 -5.2196 -5.2152 -3.3359 -3.3346 -3.2443 -3.2377 -0.4164 -0.4085 0.0442 0.0539 0.2303 0.2331 0.7519 0.7580 0.8357 0.8389 1.0963 1.0987 2.7592 2.7632 2.7817 2.7833 12.6020 12.6087 12.6812 12.6887 13.1771 13.1821 13.2821 13.2858 k = 0.4323 0.5372 0.0995 ( 2309 PWs) bands (ev): -17.5256 -17.5256 -16.4159 -16.4137 -15.1789 -15.1763 -15.1578 -15.1559 -5.5654 -5.5636 -5.2087 -5.2042 -3.3482 -3.3467 -3.2363 -3.2291 -0.4496 -0.4419 0.0506 0.0598 0.1996 0.2023 0.7634 0.7694 0.8924 0.8956 1.1271 1.1295 2.7484 2.7528 2.7763 2.7779 12.5768 12.5836 12.6755 12.6835 13.1960 13.2005 13.3118 13.3162 k = 0.4255 0.5445 0.1095 ( 2309 PWs) bands (ev): -17.5267 -17.5266 -16.4147 -16.4122 -15.1801 -15.1773 -15.1553 -15.1532 -5.5879 -5.5859 -5.1952 -5.1904 -3.3616 -3.3600 -3.2277 -3.2200 -0.4832 -0.4757 0.0600 0.0686 0.1694 0.1720 0.7730 0.7791 0.9510 0.9540 1.1588 1.1613 2.7364 2.7411 2.7704 2.7720 12.5500 12.5570 12.6707 12.6790 13.2161 13.2202 13.3431 13.3481 k = 0.4187 0.5518 0.1194 ( 2313 PWs) bands (ev): -17.5282 -17.5282 -16.4129 -16.4104 -15.1812 -15.1783 -15.1526 -15.1502 -5.6137 -5.6115 -5.1791 -5.1742 -3.3761 -3.3744 -3.2187 -3.2105 -0.5168 -0.5094 0.0719 0.0796 0.1401 0.1426 0.7818 0.7881 1.0104 1.0132 1.1911 1.1938 2.7231 2.7283 2.7640 2.7657 12.5219 12.5289 12.6668 12.6754 13.2375 13.2413 13.3756 13.3812 k = 0.4120 0.5591 0.1294 ( 2309 PWs) bands (ev): -17.5303 -17.5302 -16.4106 -16.4079 -15.1823 -15.1792 -15.1496 -15.1470 -5.6426 -5.6401 -5.1607 -5.1556 -3.3917 -3.3898 -3.2094 -3.2007 -0.5497 -0.5426 0.0856 0.0904 0.1126 0.1160 0.7902 0.7967 1.0699 1.0723 1.2238 1.2269 2.7086 2.7141 2.7573 2.7590 12.4925 12.4996 12.6638 12.6726 13.2601 13.2636 13.4091 13.4151 k = 0.4052 0.5664 0.1393 ( 2309 PWs) bands (ev): -17.5329 -17.5329 -16.4076 -16.4047 -15.1834 -15.1801 -15.1463 -15.1436 -5.6742 -5.6715 -5.1402 -5.1350 -3.4082 -3.4062 -3.1998 -3.1906 -0.5817 -0.5747 0.0794 0.0831 0.1043 0.1142 0.7984 0.8051 1.1291 1.1309 1.2570 1.2606 2.6929 2.6988 2.7502 2.7520 12.4622 12.4695 12.6618 12.6707 13.2840 13.2872 13.4432 13.4496 k = 0.3984 0.5737 0.1493 ( 2309 PWs) bands (ev): -17.5363 -17.5363 -16.4039 -16.4008 -15.1843 -15.1809 -15.1429 -15.1399 -5.7084 -5.7056 -5.1180 -5.1127 -3.4257 -3.4235 -3.1900 -3.1805 -0.6124 -0.6055 0.0543 0.0573 0.1216 0.1303 0.8066 0.8135 1.1871 1.1881 1.2907 1.2952 2.6759 2.6822 2.7427 2.7446 12.4311 12.4386 12.6607 12.6697 13.3090 13.3119 13.4775 13.4843 k = 0.3917 0.5810 0.1592 ( 2305 PWs) bands (ev): -17.5405 -17.5404 -16.3992 -16.3960 -15.1851 -15.1816 -15.1392 -15.1360 -5.7449 -5.7419 -5.0943 -5.0888 -3.4441 -3.4417 -3.1802 -3.1702 -0.6415 -0.6348 0.0292 0.0320 0.1411 0.1492 0.8149 0.8220 1.2423 1.2433 1.3258 1.3316 2.6578 2.6644 2.7350 2.7369 12.3996 12.4072 12.6606 12.6697 13.3349 13.3376 13.5119 13.5191 k = 0.3849 0.5883 0.1692 ( 2303 PWs) bands (ev): -17.5455 -17.5455 -16.3935 -16.3902 -15.1858 -15.1821 -15.1353 -15.1319 -5.7835 -5.7804 -5.0693 -5.0637 -3.4633 -3.4608 -3.1703 -3.1601 -0.6690 -0.6623 0.0052 0.0078 0.1623 0.1699 0.8232 0.8305 1.2921 1.2948 1.3640 1.3716 2.6385 2.6454 2.7270 2.7289 12.3677 12.3755 12.6615 12.6705 13.3617 13.3641 13.5461 13.5536 k = 0.3781 0.5956 0.1791 ( 2303 PWs) bands (ev): -17.5515 -17.5514 -16.3868 -16.3834 -15.1862 -15.1825 -15.1312 -15.1276 -5.8240 -5.8207 -5.0432 -5.0375 -3.4832 -3.4806 -3.1606 -3.1500 -0.6946 -0.6880 -0.0173 -0.0149 0.1847 0.1920 0.8316 0.8392 1.3352 1.3393 1.4077 1.4167 2.6181 2.6253 2.7188 2.7208 12.3357 12.3437 12.6632 12.6722 13.3890 13.3913 13.5799 13.5876 k = 0.3713 0.6029 0.1891 ( 2303 PWs) bands (ev): -17.5585 -17.5584 -16.3790 -16.3755 -15.1865 -15.1827 -15.1268 -15.1231 -5.8662 -5.8629 -5.0164 -5.0105 -3.5039 -3.5011 -3.1510 -3.1402 -0.7181 -0.7116 -0.0382 -0.0360 0.2084 0.2154 0.8402 0.8479 1.3716 1.3762 1.4573 1.4667 2.5966 2.6041 2.7105 2.7125 12.3038 12.3120 12.6657 12.6748 13.4167 13.4188 13.6129 13.6209 k = 0.3646 0.6102 0.1990 ( 2301 PWs) bands (ev): -17.5665 -17.5665 -16.3699 -16.3663 -15.1866 -15.1827 -15.1223 -15.1184 -5.9099 -5.9065 -4.9889 -4.9829 -3.5252 -3.5223 -3.1416 -3.1306 -0.7397 -0.7331 -0.0574 -0.0553 0.2332 0.2399 0.8489 0.8568 1.4029 1.4074 1.5104 1.5195 2.5742 2.5819 2.7021 2.7041 12.2721 12.2806 12.6690 12.6781 13.4444 13.4464 13.6449 13.6532 k = 0.3578 0.6175 0.2090 ( 2309 PWs) bands (ev): -17.5757 -17.5757 -16.3595 -16.3558 -15.1865 -15.1825 -15.1176 -15.1135 -5.9550 -5.9516 -4.9610 -4.9549 -3.5470 -3.5440 -3.1326 -3.1214 -0.7590 -0.7524 -0.0747 -0.0728 0.2590 0.2655 0.8577 0.8659 1.4308 1.4351 1.5647 1.5735 2.5508 2.5587 2.6936 2.6956 12.2409 12.2496 12.6731 12.6820 13.4717 13.4737 13.6758 13.6843 k = 0.3578 0.6175 0.2090 ( 2309 PWs) bands (ev): -17.5757 -17.5757 -16.3595 -16.3558 -15.1865 -15.1825 -15.1176 -15.1135 -5.9550 -5.9516 -4.9610 -4.9549 -3.5470 -3.5440 -3.1326 -3.1214 -0.7590 -0.7524 -0.0747 -0.0728 0.2590 0.2655 0.8577 0.8659 1.4308 1.4351 1.5647 1.5735 2.5508 2.5587 2.6936 2.6956 12.2409 12.2496 12.6731 12.6820 13.4717 13.4737 13.6758 13.6843 k = 0.3455 0.6134 0.2144 ( 2307 PWs) bands (ev): -17.5820 -17.5819 -16.3523 -16.3486 -15.1862 -15.1822 -15.1148 -15.1107 -5.9831 -5.9797 -4.9430 -4.9369 -3.5597 -3.5566 -3.1285 -3.1172 -0.7681 -0.7615 -0.0829 -0.0810 0.2740 0.2803 0.8608 0.8691 1.4460 1.4503 1.5952 1.6039 2.5378 2.5458 2.6888 2.6909 12.2244 12.2332 12.6757 12.6846 13.4850 13.4870 13.6917 13.7004 k = 0.3331 0.6094 0.2199 ( 2312 PWs) bands (ev): -17.5900 -17.5899 -16.3430 -16.3394 -15.1856 -15.1815 -15.1119 -15.1077 -6.0164 -6.0130 -4.9207 -4.9145 -3.5731 -3.5700 -3.1260 -3.1146 -0.7751 -0.7685 -0.0895 -0.0875 0.2899 0.2960 0.8605 0.8690 1.4625 1.4670 1.6266 1.6352 2.5248 2.5329 2.6838 2.6860 12.2088 12.2178 12.6788 12.6877 13.4954 13.4974 13.7063 13.7151 k = 0.3208 0.6054 0.2254 ( 2312 PWs) bands (ev): -17.5995 -17.5994 -16.3321 -16.3284 -15.1845 -15.1804 -15.1088 -15.1044 -6.0539 -6.0505 -4.8948 -4.8886 -3.5873 -3.5840 -3.1249 -3.1135 -0.7804 -0.7738 -0.0946 -0.0924 0.3069 0.3128 0.8570 0.8659 1.4801 1.4849 1.6585 1.6671 2.5121 2.5203 2.6786 2.6810 12.1944 12.2034 12.6824 12.6913 13.5027 13.5047 13.7198 13.7286 k = 0.3084 0.6014 0.2308 ( 2312 PWs) bands (ev): -17.6103 -17.6102 -16.3196 -16.3159 -15.1831 -15.1789 -15.1055 -15.1010 -6.0947 -6.0913 -4.8663 -4.8600 -3.6020 -3.5986 -3.1253 -3.1138 -0.7838 -0.7772 -0.0983 -0.0958 0.3248 0.3306 0.8506 0.8599 1.4984 1.5037 1.6905 1.6991 2.5000 2.5082 2.6734 2.6759 12.1810 12.1900 12.6865 12.6955 13.5072 13.5091 13.7323 13.7410 k = 0.2961 0.5974 0.2363 ( 2320 PWs) bands (ev): -17.6221 -17.6221 -16.3060 -16.3023 -15.1813 -15.1771 -15.1020 -15.0974 -6.1379 -6.1346 -4.8358 -4.8295 -3.6170 -3.6136 -3.1271 -3.1156 -0.7856 -0.7790 -0.1008 -0.0979 0.3436 0.3492 0.8419 0.8517 1.5169 1.5227 1.7223 1.7309 2.4887 2.4968 2.6681 2.6710 12.1687 12.1778 12.6912 12.7002 13.5088 13.5107 13.7438 13.7524 k = 0.2838 0.5934 0.2417 ( 2318 PWs) bands (ev): -17.6348 -17.6347 -16.2914 -16.2878 -15.1792 -15.1750 -15.0983 -15.0937 -6.1829 -6.1796 -4.8039 -4.7976 -3.6321 -3.6287 -3.1302 -3.1187 -0.7857 -0.7792 -0.1022 -0.0989 0.3633 0.3688 0.8312 0.8416 1.5352 1.5415 1.7535 1.7621 2.4784 2.4864 2.6630 2.6662 12.1575 12.1666 12.6965 12.7055 13.5079 13.5097 13.7542 13.7627 k = 0.2714 0.5894 0.2472 ( 2316 PWs) bands (ev): -17.6480 -17.6480 -16.2762 -16.2726 -15.1767 -15.1725 -15.0945 -15.0897 -6.2290 -6.2258 -4.7713 -4.7650 -3.6472 -3.6437 -3.1346 -3.1231 -0.7844 -0.7779 -0.1026 -0.0989 0.3838 0.3890 0.8190 0.8300 1.5527 1.5596 1.7837 1.7923 2.4694 2.4773 2.6582 2.6618 12.1475 12.1565 12.7024 12.7114 13.5046 13.5062 13.7637 13.7720 k = 0.2591 0.5854 0.2527 ( 2325 PWs) bands (ev): -17.6618 -17.6617 -16.2606 -16.2570 -15.1739 -15.1697 -15.0904 -15.0856 -6.2757 -6.2725 -4.7383 -4.7320 -3.6621 -3.6585 -3.1402 -3.1288 -0.7816 -0.7752 -0.1022 -0.0981 0.4048 0.4099 0.8059 0.8175 1.5688 1.5764 1.8126 1.8211 2.4619 2.4697 2.6538 2.6578 12.1386 12.1474 12.7089 12.7179 13.4993 13.5007 13.7720 13.7802 k = 0.2468 0.5814 0.2581 ( 2323 PWs) bands (ev): -17.6758 -17.6757 -16.2449 -16.2413 -15.1708 -15.1666 -15.0862 -15.0812 -6.3225 -6.3194 -4.7054 -4.6992 -3.6765 -3.6728 -3.1471 -3.1357 -0.7775 -0.7712 -0.1012 -0.0966 0.4261 0.4311 0.7923 0.8047 1.5831 1.5912 1.8400 1.8484 2.4562 2.4638 2.6501 2.6545 12.1308 12.1395 12.7160 12.7248 13.4921 13.4934 13.7794 13.7873 k = 0.2344 0.5774 0.2636 ( 2321 PWs) bands (ev): -17.6898 -17.6898 -16.2291 -16.2256 -15.1675 -15.1633 -15.0818 -15.0767 -6.3690 -6.3661 -4.6729 -4.6668 -3.6902 -3.6865 -3.1550 -3.1437 -0.7722 -0.7660 -0.0996 -0.0946 0.4472 0.4522 0.7790 0.7923 1.5951 1.6037 1.8655 1.8738 2.4523 2.4596 2.6473 2.6522 12.1240 12.1325 12.7235 12.7323 13.4833 13.4846 13.7856 13.7933 k = 0.2221 0.5734 0.2691 ( 2322 PWs) bands (ev): -17.7039 -17.7038 -16.2135 -16.2101 -15.1640 -15.1598 -15.0771 -15.0721 -6.4149 -6.4121 -4.6412 -4.6351 -3.7030 -3.6992 -3.1639 -3.1527 -0.7658 -0.7598 -0.0975 -0.0922 0.4676 0.4727 0.7668 0.7810 1.6041 1.6133 1.8893 1.8974 2.4501 2.4572 2.6456 2.6510 12.1183 12.1266 12.7315 12.7403 13.4732 13.4745 13.7907 13.7982 k = 0.2097 0.5694 0.2745 ( 2316 PWs) bands (ev): -17.7177 -17.7177 -16.1982 -16.1949 -15.1603 -15.1562 -15.0723 -15.0673 -6.4599 -6.4572 -4.6105 -4.6046 -3.7147 -3.7108 -3.1739 -3.1628 -0.7585 -0.7525 -0.0952 -0.0896 0.4864 0.4916 0.7568 0.7719 1.6099 1.6196 1.9112 1.9190 2.4494 2.4563 2.6455 2.6513 12.1137 12.1217 12.7400 12.7485 13.4621 13.4633 13.7949 13.8021 k = 0.1974 0.5654 0.2800 ( 2317 PWs) bands (ev): -17.7313 -17.7312 -16.1835 -16.1803 -15.1565 -15.1525 -15.0674 -15.0623 -6.5037 -6.5011 -4.5811 -4.5753 -3.7250 -3.7211 -3.1847 -3.1738 -0.7502 -0.7444 -0.0927 -0.0868 0.5024 0.5078 0.7505 0.7664 1.6120 1.6221 1.9313 1.9389 2.4498 2.4565 2.6472 2.6534 12.1100 12.1177 12.7487 12.7571 13.4501 13.4514 13.7981 13.8050 k = 0.1851 0.5614 0.2854 ( 2316 PWs) bands (ev): -17.7445 -17.7444 -16.1693 -16.1662 -15.1527 -15.1488 -15.0623 -15.0573 -6.5460 -6.5435 -4.5532 -4.5477 -3.7339 -3.7298 -3.1964 -3.1856 -0.7412 -0.7356 -0.0900 -0.0839 0.5143 0.5198 0.7493 0.7658 1.6104 1.6207 1.9500 1.9572 2.4509 2.4574 2.6510 2.6574 12.1072 12.1147 12.7576 12.7658 13.4374 13.4389 13.8004 13.8070 k = 0.1727 0.5574 0.2909 ( 2316 PWs) bands (ev): -17.7571 -17.7571 -16.1558 -16.1529 -15.1489 -15.1452 -15.0570 -15.0521 -6.5865 -6.5842 -4.5271 -4.5218 -3.7410 -3.7369 -3.2088 -3.1982 -0.7316 -0.7262 -0.0874 -0.0810 0.5211 0.5264 0.7547 0.7714 1.6047 1.6153 1.9673 1.9741 2.4522 2.4584 2.6571 2.6636 12.1053 12.1124 12.7666 12.7745 13.4244 13.4261 13.8020 13.8083 k = 0.1604 0.5534 0.2964 ( 2321 PWs) bands (ev): -17.7692 -17.7692 -16.1431 -16.1403 -15.1452 -15.1416 -15.0517 -15.0469 -6.6252 -6.6230 -4.5029 -4.4979 -3.7463 -3.7421 -3.2218 -3.2114 -0.7215 -0.7163 -0.0847 -0.0782 0.5225 0.5273 0.7672 0.7834 1.5952 1.6060 1.9834 1.9897 2.4532 2.4592 2.6654 2.6719 12.1042 12.1110 12.7755 12.7831 13.4112 13.4131 13.8029 13.8089 k = 0.1481 0.5494 0.3018 ( 2321 PWs) bands (ev): -17.7807 -17.7806 -16.1312 -16.1286 -15.1416 -15.1382 -15.0463 -15.0418 -6.6617 -6.6597 -4.4808 -4.4761 -3.7497 -3.7454 -3.2353 -3.2252 -0.7111 -0.7062 -0.0822 -0.0756 0.5189 0.5231 0.7861 0.8016 1.5820 1.5929 1.9985 2.0044 2.4537 2.4594 2.6758 2.6821 12.1039 12.1103 12.7842 12.7916 13.3981 13.4001 13.8032 13.8090 k = 0.1357 0.5454 0.3073 ( 2323 PWs) bands (ev): -17.7914 -17.7913 -16.1202 -16.1177 -15.1381 -15.1349 -15.0410 -15.0367 -6.6960 -6.6941 -4.4609 -4.4565 -3.7512 -3.7467 -3.2493 -3.2395 -0.7006 -0.6959 -0.0797 -0.0732 0.5117 0.5154 0.8101 0.8248 1.5653 1.5762 2.0127 2.0180 2.4536 2.4589 2.6878 2.6937 12.1042 12.1102 12.7927 12.7997 13.3852 13.3874 13.8032 13.8086 k = 0.1234 0.5414 0.3128 ( 2325 PWs) bands (ev): -17.8014 -17.8013 -16.1101 -16.1078 -15.1349 -15.1319 -15.0358 -15.0317 -6.7278 -6.7260 -4.4432 -4.4392 -3.7507 -3.7461 -3.2634 -3.2540 -0.6901 -0.6856 -0.0775 -0.0710 0.5020 0.5053 0.8379 0.8518 1.5456 1.5565 2.0259 2.0307 2.4528 2.4577 2.7010 2.7065 12.1051 12.1106 12.8007 12.8073 13.3728 13.3750 13.8029 13.8079 k = 0.1110 0.5374 0.3182 ( 2322 PWs) bands (ev): -17.8105 -17.8105 -16.1009 -16.0988 -15.1318 -15.1291 -15.0307 -15.0269 -6.7570 -6.7554 -4.4278 -4.4241 -3.7483 -3.7438 -3.2776 -3.2686 -0.6797 -0.6756 -0.0754 -0.0691 0.4909 0.4940 0.8685 0.8816 1.5231 1.5339 2.0381 2.0425 2.4516 2.4560 2.7149 2.7198 12.1065 12.1115 12.8081 12.8143 13.3610 13.3632 13.8024 13.8071 k = 0.0987 0.5334 0.3237 ( 2322 PWs) bands (ev): -17.8188 -17.8188 -16.0926 -16.0908 -15.1290 -15.1266 -15.0258 -15.0224 -6.7835 -6.7821 -4.4145 -4.4113 -3.7444 -3.7399 -3.2916 -3.2832 -0.6698 -0.6660 -0.0734 -0.0675 0.4794 0.4824 0.9009 0.9135 1.4983 1.5090 2.0493 2.0532 2.4499 2.4539 2.7287 2.7331 12.1082 12.1127 12.8150 12.8206 13.3499 13.3522 13.8019 13.8061 k = 0.0864 0.5294 0.3291 ( 2322 PWs) bands (ev): -17.8262 -17.8262 -16.0854 -16.0837 -15.1265 -15.1244 -15.0213 -15.0183 -6.8072 -6.8059 -4.4034 -4.4005 -3.7392 -3.7348 -3.3052 -3.2974 -0.6604 -0.6570 -0.0717 -0.0662 0.4680 0.4709 0.9346 0.9466 1.4715 1.4821 2.0594 2.0628 2.4481 2.4516 2.7421 2.7459 12.1101 12.1142 12.8211 12.8262 13.3398 13.3420 13.8013 13.8051 k = 0.0740 0.5254 0.3346 ( 2322 PWs) bands (ev): -17.8327 -17.8326 -16.0790 -16.0776 -15.1243 -15.1225 -15.0171 -15.0145 -6.8278 -6.8267 -4.3942 -4.3917 -3.7330 -3.7288 -3.3181 -3.3110 -0.6517 -0.6487 -0.0702 -0.0651 0.4574 0.4601 0.9690 0.9804 1.4434 1.4537 2.0684 2.0713 2.4462 2.4492 2.7546 2.7578 12.1122 12.1157 12.8265 12.8310 13.3309 13.3329 13.8008 13.8042 k = 0.0617 0.5214 0.3401 ( 2323 PWs) bands (ev): -17.8382 -17.8382 -16.0737 -16.0725 -15.1224 -15.1209 -15.0135 -15.0112 -6.8455 -6.8446 -4.3867 -4.3847 -3.7263 -3.7225 -3.3300 -3.3236 -0.6440 -0.6414 -0.0688 -0.0644 0.4480 0.4503 1.0034 1.0142 1.4143 1.4244 2.0762 2.0786 2.4443 2.4468 2.7658 2.7685 12.1142 12.1172 12.8311 12.8349 13.3231 13.3249 13.8004 13.8033 k = 0.0494 0.5174 0.3455 ( 2319 PWs) bands (ev): -17.8427 -17.8427 -16.0693 -16.0683 -15.1208 -15.1196 -15.0103 -15.0085 -6.8600 -6.8593 -4.3809 -4.3793 -3.7197 -3.7163 -3.3403 -3.3350 -0.6373 -0.6352 -0.0677 -0.0640 0.4399 0.4419 1.0371 1.0473 1.3852 1.3948 2.0827 2.0847 2.4427 2.4447 2.7754 2.7775 12.1162 12.1185 12.8349 12.8380 13.3166 13.3182 13.8002 13.8025 k = 0.0370 0.5134 0.3510 ( 2315 PWs) bands (ev): -17.8463 -17.8463 -16.0658 -16.0651 -15.1195 -15.1186 -15.0077 -15.0064 -6.8714 -6.8708 -4.3765 -4.3753 -3.7136 -3.7109 -3.3488 -3.3446 -0.6319 -0.6303 -0.0666 -0.0638 0.4335 0.4350 1.0692 1.0783 1.3572 1.3659 2.0879 2.0893 2.4414 2.4429 2.7832 2.7848 12.1178 12.1196 12.8379 12.8403 13.3116 13.3128 13.8000 13.8018 k = 0.0247 0.5094 0.3565 ( 2317 PWs) bands (ev): -17.8488 -17.8488 -16.0634 -16.0629 -15.1186 -15.1179 -15.0058 -15.0049 -6.8795 -6.8791 -4.3734 -4.3726 -3.7086 -3.7067 -3.3550 -3.3521 -0.6279 -0.6268 -0.0658 -0.0638 0.4288 0.4299 1.0977 1.1051 1.3325 1.3397 2.0917 2.0927 2.4405 2.4415 2.7890 2.7900 12.1192 12.1204 12.8402 12.8418 13.3081 13.3089 13.8000 13.8012 k = 0.0123 0.5054 0.3619 ( 2313 PWs) bands (ev): -17.8504 -17.8504 -16.0618 -16.0616 -15.1179 -15.1176 -15.0045 -15.0041 -6.8843 -6.8841 -4.3715 -4.3711 -3.7052 -3.7042 -3.3586 -3.3571 -0.6253 -0.6247 -0.0650 -0.0641 0.4261 0.4267 1.1195 1.1239 1.3150 1.3193 2.0941 2.0946 2.4401 2.4406 2.7926 2.7931 12.1202 12.1208 12.8417 12.8425 13.3060 13.3064 13.8002 13.8007 k = 0.0000 0.5014 0.3674 ( 2308 PWs) bands (ev): -17.8509 -17.8509 -16.0612 -16.0612 -15.1176 -15.1176 -15.0040 -15.0040 -6.8859 -6.8859 -4.3707 -4.3707 -3.7037 -3.7037 -3.3593 -3.3593 -0.6242 -0.6242 -0.0645 -0.0645 0.4254 0.4254 1.1295 1.1295 1.3098 1.3098 2.0951 2.0951 2.4401 2.4401 2.7940 2.7940 12.1207 12.1207 12.8425 12.8425 13.3055 13.3055 13.8004 13.8004 k = 0.0000 0.5014 0.3674 ( 2308 PWs) bands (ev): -17.8509 -17.8509 -16.0612 -16.0612 -15.1176 -15.1176 -15.0040 -15.0040 -6.8859 -6.8859 -4.3707 -4.3707 -3.7037 -3.7037 -3.3593 -3.3593 -0.6242 -0.6242 -0.0645 -0.0645 0.4254 0.4254 1.1295 1.1295 1.3098 1.3098 2.0951 2.0951 2.4401 2.4401 2.7940 2.7940 12.1207 12.1207 12.8425 12.8425 13.3055 13.3055 13.8004 13.8004 k = 0.0068 0.4941 0.3773 ( 2312 PWs) bands (ev): -17.8504 -17.8504 -16.0618 -16.0616 -15.1180 -15.1176 -15.0041 -15.0040 -6.8850 -6.8848 -4.3737 -4.3727 -3.7027 -3.7015 -3.3590 -3.3587 -0.6250 -0.6247 -0.0654 -0.0649 0.4251 0.4258 1.1305 1.1313 1.3101 1.3104 2.0942 2.0950 2.4399 2.4410 2.7934 2.7937 12.1216 12.1217 12.8423 12.8429 13.3029 13.3042 13.8004 13.8022 k = 0.0135 0.4868 0.3872 ( 2316 PWs) bands (ev): -17.8490 -17.8490 -16.0634 -16.0629 -15.1188 -15.1180 -15.0043 -15.0043 -6.8820 -6.8817 -4.3815 -4.3795 -3.6986 -3.6964 -3.3579 -3.3573 -0.6269 -0.6264 -0.0678 -0.0666 0.4248 0.4262 1.1344 1.1359 1.3113 1.3118 2.0925 2.0941 2.4405 2.4426 2.7921 2.7926 12.1244 12.1245 12.8424 12.8436 13.2967 13.2991 13.8023 13.8058 k = 0.0203 0.4795 0.3972 ( 2314 PWs) bands (ev): -17.8466 -17.8466 -16.0660 -16.0653 -15.1199 -15.1188 -15.0048 -15.0047 -6.8771 -6.8766 -4.3938 -4.3909 -3.6917 -3.6885 -3.3559 -3.3550 -0.6301 -0.6292 -0.0715 -0.0698 0.4245 0.4267 1.1410 1.1432 1.3134 1.3142 2.0900 2.0923 2.4418 2.4450 2.7900 2.7907 12.1291 12.1293 12.8429 12.8447 13.2870 13.2906 13.8057 13.8107 k = 0.0270 0.4723 0.4071 ( 2314 PWs) bands (ev): -17.8433 -17.8433 -16.0696 -16.0686 -15.1214 -15.1200 -15.0053 -15.0052 -6.8702 -6.8695 -4.4104 -4.4067 -3.6823 -3.6780 -3.3531 -3.3519 -0.6342 -0.6331 -0.0765 -0.0742 0.4244 0.4272 1.1501 1.1530 1.3163 1.3174 2.0867 2.0897 2.4440 2.4482 2.7871 2.7880 12.1357 12.1358 12.8435 12.8459 13.2745 13.2789 13.8102 13.8167 k = 0.0338 0.4650 0.4170 ( 2312 PWs) bands (ev): -17.8391 -17.8390 -16.0741 -16.0729 -15.1233 -15.1215 -15.0061 -15.0060 -6.8614 -6.8604 -4.4309 -4.4264 -3.6706 -3.6656 -3.3495 -3.3481 -0.6394 -0.6380 -0.0827 -0.0799 0.4245 0.4279 1.1616 1.1650 1.3202 1.3214 2.0825 2.0862 2.4469 2.4520 2.7835 2.7846 12.1440 12.1442 12.8443 12.8474 13.2594 13.2647 13.8154 13.8231 k = 0.0405 0.4577 0.4270 ( 2318 PWs) bands (ev): -17.8340 -17.8339 -16.0797 -16.0782 -15.1254 -15.1233 -15.0070 -15.0069 -6.8506 -6.8495 -4.4548 -4.4496 -3.6572 -3.6514 -3.3452 -3.3434 -0.6453 -0.6437 -0.0901 -0.0868 0.4248 0.4287 1.1751 1.1789 1.3249 1.3264 2.0776 2.0818 2.4505 2.4565 2.7790 2.7805 12.1541 12.1544 12.8453 12.8490 13.2425 13.2483 13.8206 13.8294 k = 0.0473 0.4504 0.4369 ( 2320 PWs) bands (ev): -17.8279 -17.8278 -16.0862 -16.0845 -15.1278 -15.1254 -15.0081 -15.0080 -6.8378 -6.8366 -4.4817 -4.4760 -3.6423 -3.6359 -3.3402 -3.3381 -0.6520 -0.6501 -0.0986 -0.0948 0.4254 0.4298 1.1903 1.1943 1.3307 1.3324 2.0720 2.0767 2.4549 2.4617 2.7739 2.7756 12.1660 12.1663 12.8463 12.8507 13.2241 13.2304 13.8253 13.8352 k = 0.0541 0.4432 0.4468 ( 2320 PWs) bands (ev): -17.8210 -17.8209 -16.0937 -16.0918 -15.1304 -15.1277 -15.0094 -15.0092 -6.8233 -6.8218 -4.5113 -4.5052 -3.6265 -3.6195 -3.3345 -3.3321 -0.6591 -0.6569 -0.1082 -0.1039 0.4263 0.4311 1.2066 1.2107 1.3375 1.3396 2.0658 2.0709 2.4601 2.4675 2.7681 2.7701 12.1795 12.1798 12.8473 12.8524 13.2048 13.2115 13.8292 13.8398 k = 0.0608 0.4359 0.4567 ( 2316 PWs) bands (ev): -17.8132 -17.8131 -16.1021 -16.1001 -15.1331 -15.1301 -15.0108 -15.0106 -6.8068 -6.8052 -4.5432 -4.5367 -3.6099 -3.6025 -3.3282 -3.3256 -0.6665 -0.6641 -0.1186 -0.1139 0.4276 0.4328 1.2234 1.2273 1.3455 1.3481 2.0591 2.0646 2.4658 2.4739 2.7616 2.7639 12.1946 12.1950 12.8481 12.8540 13.1852 13.1920 13.8317 13.8430 k = 0.0676 0.4286 0.4667 ( 2314 PWs) bands (ev): -17.8046 -17.8045 -16.1115 -16.1093 -15.1360 -15.1327 -15.0124 -15.0122 -6.7886 -6.7868 -4.5771 -4.5704 -3.5928 -3.5851 -3.3214 -3.3185 -0.6740 -0.6714 -0.1300 -0.1248 0.4294 0.4349 1.2401 1.2435 1.3550 1.3583 2.0521 2.0578 2.4722 2.4807 2.7546 2.7571 12.2112 12.2116 12.8487 12.8554 13.1655 13.1724 13.8325 13.8444 k = 0.0743 0.4213 0.4766 ( 2310 PWs) bands (ev): -17.7952 -17.7951 -16.1219 -16.1194 -15.1389 -15.1354 -15.0141 -15.0140 -6.7686 -6.7667 -4.6129 -4.6059 -3.5756 -3.5675 -3.3142 -3.3109 -0.6815 -0.6787 -0.1420 -0.1365 0.4317 0.4375 1.2557 1.2584 1.3663 1.3705 2.0450 2.0509 2.4789 2.4879 2.7470 2.7499 12.2292 12.2297 12.8489 12.8564 13.1462 13.1531 13.8312 13.8436 k = 0.0811 0.4141 0.4865 ( 2314 PWs) bands (ev): -17.7850 -17.7849 -16.1331 -16.1305 -15.1418 -15.1380 -15.0160 -15.0159 -6.7469 -6.7448 -4.6502 -4.6431 -3.5583 -3.5500 -3.3065 -3.3030 -0.6887 -0.6856 -0.1547 -0.1488 0.4346 0.4405 1.2695 1.2712 1.3797 1.3849 2.0380 2.0441 2.4860 2.4953 2.7389 2.7421 12.2485 12.2491 12.8486 12.8569 13.1277 13.1346 13.8278 13.8406 k = 0.0878 0.4068 0.4965 ( 2316 PWs) bands (ev): -17.7741 -17.7740 -16.1453 -16.1425 -15.1447 -15.1407 -15.0181 -15.0180 -6.7236 -6.7213 -4.6889 -4.6817 -3.5412 -3.5327 -3.2986 -3.2948 -0.6954 -0.6922 -0.1680 -0.1618 0.4380 0.4442 1.2807 1.2815 1.3951 1.4016 2.0315 2.0377 2.4934 2.5028 2.7303 2.7339 12.2690 12.2697 12.8476 12.8568 13.1103 13.1171 13.8220 13.8351 k = 0.0946 0.3995 0.5064 ( 2318 PWs) bands (ev): -17.7625 -17.7624 -16.1582 -16.1553 -15.1475 -15.1433 -15.0204 -15.0202 -6.6987 -6.6963 -4.7288 -4.7215 -3.5244 -3.5157 -3.2905 -3.2864 -0.7016 -0.6981 -0.1818 -0.1752 0.4422 0.4484 1.2888 1.2894 1.4125 1.4201 2.0259 2.0322 2.5007 2.5104 2.7214 2.7254 12.2906 12.2914 12.8457 12.8558 13.0942 13.1011 13.8138 13.8272 k = 0.1014 0.3922 0.5163 ( 2318 PWs) bands (ev): -17.7503 -17.7502 -16.1720 -16.1689 -15.1502 -15.1458 -15.0228 -15.0226 -6.6722 -6.6697 -4.7698 -4.7624 -3.5079 -3.4992 -3.2822 -3.2779 -0.7070 -0.7033 -0.1959 -0.1890 0.4470 0.4533 1.2935 1.2947 1.4313 1.4398 2.0214 2.0278 2.5080 2.5177 2.7122 2.7166 12.3132 12.3140 12.8430 12.8540 13.0799 13.0867 13.8033 13.8168 k = 0.1081 0.3850 0.5263 ( 2312 PWs) bands (ev): -17.7375 -17.7374 -16.1865 -16.1833 -15.1527 -15.1481 -15.0254 -15.0251 -6.6443 -6.6416 -4.8118 -4.8043 -3.4920 -3.4831 -3.2739 -3.2693 -0.7116 -0.7076 -0.2103 -0.2032 0.4526 0.4590 1.2954 1.2972 1.4510 1.4602 2.0186 2.0252 2.5149 2.5247 2.7028 2.7077 12.3365 12.3375 12.8394 12.8512 13.0673 13.0741 13.7905 13.8042 k = 0.1149 0.3777 0.5362 ( 2318 PWs) bands (ev): -17.7242 -17.7241 -16.2017 -16.1984 -15.1550 -15.1502 -15.0281 -15.0278 -6.6150 -6.6122 -4.8546 -4.8471 -3.4765 -3.4676 -3.2657 -3.2608 -0.7151 -0.7109 -0.2250 -0.2177 0.4590 0.4654 1.2945 1.2967 1.4708 1.4805 2.0177 2.0245 2.5214 2.5311 2.6934 2.6988 12.3604 12.3616 12.8349 12.8473 13.0566 13.0634 13.7755 13.7893 k = 0.1216 0.3704 0.5461 ( 2320 PWs) bands (ev): -17.7104 -17.7103 -16.2175 -16.2141 -15.1571 -15.1522 -15.0309 -15.0305 -6.5843 -6.5814 -4.8982 -4.8906 -3.4617 -3.4527 -3.2575 -3.2524 -0.7175 -0.7131 -0.2399 -0.2324 0.4662 0.4727 1.2908 1.2933 1.4903 1.5004 2.0192 2.0261 2.5273 2.5369 2.6839 2.6899 12.3849 12.3862 12.8296 12.8426 13.0478 13.0547 13.7586 13.7724 k = 0.1284 0.3631 0.5560 ( 2322 PWs) bands (ev): -17.6963 -17.6961 -16.2338 -16.2303 -15.1589 -15.1538 -15.0338 -15.0334 -6.5523 -6.5493 -4.9424 -4.9348 -3.4474 -3.4385 -3.2496 -3.2443 -0.7187 -0.7141 -0.2549 -0.2472 0.4743 0.4808 1.2842 1.2869 1.5092 1.5195 2.0231 2.0304 2.5323 2.5418 2.6747 2.6813 12.4096 12.4111 12.8238 12.8372 13.0408 13.0477 13.7399 13.7537 k = 0.1351 0.3559 0.5660 ( 2326 PWs) bands (ev): -17.6818 -17.6817 -16.2505 -16.2469 -15.1605 -15.1553 -15.0368 -15.0363 -6.5191 -6.5160 -4.9871 -4.9795 -3.4339 -3.4250 -3.2419 -3.2364 -0.7187 -0.7138 -0.2700 -0.2621 0.4834 0.4899 1.2748 1.2776 1.5272 1.5375 2.0298 2.0374 2.5364 2.5456 2.6658 2.6729 12.4343 12.4361 12.8177 12.8313 13.0353 13.0424 13.7197 13.7335 k = 0.1419 0.3486 0.5759 ( 2328 PWs) bands (ev): -17.6671 -17.6670 -16.2675 -16.2639 -15.1618 -15.1565 -15.0399 -15.0394 -6.4848 -6.4815 -5.0323 -5.0247 -3.4210 -3.4122 -3.2345 -3.2289 -0.7174 -0.7122 -0.2851 -0.2771 0.4934 0.4999 1.2624 1.2653 1.5442 1.5544 2.0391 2.0470 2.5393 2.5483 2.6574 2.6651 12.4590 12.4611 12.8115 12.8252 13.0313 13.0385 13.6983 13.7119 k = 0.1486 0.3413 0.5858 ( 2330 PWs) bands (ev): -17.6523 -17.6522 -16.2847 -16.2810 -15.1628 -15.1574 -15.0430 -15.0425 -6.4494 -6.4460 -5.0779 -5.0704 -3.4088 -3.4000 -3.2276 -3.2218 -0.7149 -0.7094 -0.3002 -0.2921 0.5045 0.5110 1.2472 1.2501 1.5600 1.5700 2.0510 2.0592 2.5411 2.5496 2.6495 2.6577 12.4834 12.4858 12.8056 12.8191 13.0285 13.0358 13.6758 13.6893 k = 0.1554 0.3340 0.5958 ( 2332 PWs) bands (ev): -17.6374 -17.6373 -16.3019 -16.2982 -15.1635 -15.1581 -15.0462 -15.0456 -6.4129 -6.4095 -5.1239 -5.1163 -3.3972 -3.3886 -3.2211 -3.2152 -0.7111 -0.7052 -0.3153 -0.3071 0.5167 0.5231 1.2293 1.2321 1.5749 1.5845 2.0651 2.0737 2.5415 2.5496 2.6423 2.6510 12.5071 12.5100 12.8001 12.8133 13.0267 13.0341 13.6525 13.6659 k = 0.1622 0.3268 0.6057 ( 2332 PWs) bands (ev): -17.6227 -17.6226 -16.3191 -16.3154 -15.1640 -15.1585 -15.0494 -15.0488 -6.3756 -6.3721 -5.1701 -5.1625 -3.3864 -3.3780 -3.2150 -3.2091 -0.7060 -0.6998 -0.3304 -0.3221 0.5299 0.5364 1.2088 1.2116 1.5887 1.5980 2.0811 2.0900 2.5408 2.5483 2.6357 2.6447 12.5301 12.5335 12.7952 12.8080 13.0259 13.0334 13.6288 13.6420 k = 0.1689 0.3195 0.6156 ( 2334 PWs) bands (ev): -17.6082 -17.6081 -16.3360 -16.3323 -15.1642 -15.1586 -15.0526 -15.0519 -6.3374 -6.3338 -5.2164 -5.2089 -3.3763 -3.3680 -3.2095 -3.2035 -0.6998 -0.6932 -0.3453 -0.3370 0.5443 0.5508 1.1859 1.1887 1.6015 1.6104 2.0985 2.1077 2.5392 2.5460 2.6297 2.6388 12.5521 12.5561 12.7910 12.8032 13.0258 13.0335 13.6049 13.6178 k = 0.1757 0.3122 0.6255 ( 2338 PWs) bands (ev): -17.5940 -17.5939 -16.3526 -16.3488 -15.1642 -15.1585 -15.0558 -15.0551 -6.2984 -6.2948 -5.2629 -5.2553 -3.3669 -3.3588 -3.2045 -3.1985 -0.6925 -0.6854 -0.3602 -0.3519 0.5600 0.5664 1.1610 1.1638 1.6134 1.6218 2.1169 2.1263 2.5368 2.5429 2.6240 2.6331 12.5729 12.5776 12.7876 12.7990 13.0266 13.0345 13.5810 13.5935 k = 0.1824 0.3049 0.6355 ( 2338 PWs) bands (ev): -17.5803 -17.5803 -16.3685 -16.3647 -15.1639 -15.1583 -15.0589 -15.0582 -6.2588 -6.2552 -5.3093 -5.3017 -3.3583 -3.3504 -3.2000 -3.1941 -0.6841 -0.6766 -0.3750 -0.3666 0.5768 0.5833 1.1344 1.1371 1.6245 1.6324 2.1359 2.1454 2.5340 2.5394 2.6185 2.6274 12.5923 12.5979 12.7849 12.7954 13.0281 13.0362 13.5574 13.5695 k = 0.1892 0.2976 0.6454 ( 2338 PWs) bands (ev): -17.5673 -17.5672 -16.3837 -16.3799 -15.1635 -15.1578 -15.0619 -15.0612 -6.2187 -6.2150 -5.3556 -5.3480 -3.3503 -3.3427 -3.1960 -3.1902 -0.6750 -0.6670 -0.3896 -0.3812 0.5948 0.6014 1.1063 1.1090 1.6347 1.6421 2.1548 2.1644 2.5312 2.5359 2.6128 2.6215 12.6101 12.6168 12.7828 12.7922 13.0303 13.0388 13.5345 13.5461 k = 0.1959 0.2904 0.6553 ( 2340 PWs) bands (ev): -17.5550 -17.5550 -16.3980 -16.3941 -15.1630 -15.1572 -15.0647 -15.0640 -6.1781 -6.1745 -5.4016 -5.3939 -3.3431 -3.3358 -3.1926 -3.1868 -0.6651 -0.6565 -0.4040 -0.3956 0.6140 0.6207 1.0771 1.0797 1.6440 1.6509 2.1733 2.1828 2.5288 2.5328 2.6070 2.6152 12.6264 12.6343 12.7812 12.7892 13.0334 13.0421 13.5124 13.5234 k = 0.2027 0.2831 0.6653 ( 2342 PWs) bands (ev): -17.5437 -17.5437 -16.4112 -16.4073 -15.1623 -15.1566 -15.0674 -15.0667 -6.1374 -6.1338 -5.4472 -5.4394 -3.3367 -3.3297 -3.1896 -3.1839 -0.6547 -0.6454 -0.4181 -0.4097 0.6345 0.6413 1.0471 1.0497 1.6524 1.6588 2.1909 2.2002 2.5270 2.5304 2.6007 2.6085 12.6409 12.6503 12.7798 12.7863 13.0372 13.0462 13.4917 13.5019 k = 0.2095 0.2758 0.6752 ( 2340 PWs) bands (ev): -17.5335 -17.5335 -16.4230 -16.4191 -15.1616 -15.1558 -15.0699 -15.0692 -6.0967 -6.0932 -5.4920 -5.4842 -3.3311 -3.3243 -3.1872 -3.1816 -0.6440 -0.6340 -0.4319 -0.4234 0.6560 0.6631 1.0167 1.0192 1.6599 1.6658 2.2071 2.2161 2.5262 2.5290 2.5940 2.6012 12.6538 12.6649 12.7784 12.7833 13.0416 13.0509 13.4725 13.4818 k = 0.2162 0.2685 0.6851 ( 2340 PWs) bands (ev): -17.5246 -17.5245 -16.4334 -16.4295 -15.1609 -15.1551 -15.0720 -15.0715 -6.0565 -6.0531 -5.5357 -5.5277 -3.3262 -3.3198 -3.1851 -3.1797 -0.6333 -0.6224 -0.4452 -0.4365 0.6784 0.6860 0.9862 0.9886 1.6663 1.6718 2.2217 2.2302 2.5265 2.5289 2.5869 2.5935 12.6650 12.6780 12.7769 12.7800 13.0464 13.0558 13.4553 13.4635 k = 0.2230 0.2613 0.6951 ( 2336 PWs) bands (ev): -17.5170 -17.5170 -16.4422 -16.4383 -15.1602 -15.1544 -15.0739 -15.0734 -6.0174 -6.0143 -5.5777 -5.5694 -3.3222 -3.3160 -3.1835 -3.1782 -0.6230 -0.6111 -0.4577 -0.4487 0.7016 0.7097 0.9559 0.9584 1.6717 1.6769 2.2341 2.2420 2.5281 2.5303 2.5795 2.5854 12.6746 12.6897 12.7751 12.7766 13.0513 13.0608 13.4405 13.4474 k = 0.2297 0.2540 0.7050 ( 2330 PWs) bands (ev): -17.5110 -17.5110 -16.4491 -16.4452 -15.1596 -15.1538 -15.0754 -15.0750 -5.9806 -5.9779 -5.6166 -5.6080 -3.3191 -3.3131 -3.1822 -3.1771 -0.6136 -0.6005 -0.4690 -0.4595 0.7248 0.7340 0.9265 0.9295 1.6760 1.6808 2.2442 2.2514 2.5309 2.5332 2.5719 2.5771 12.6824 12.6998 12.7720 12.7742 13.0558 13.0653 13.4286 13.4341 k = 0.2365 0.2467 0.7149 ( 2328 PWs) bands (ev): -17.5066 -17.5066 -16.4542 -16.4503 -15.1592 -15.1533 -15.0764 -15.0762 -5.9485 -5.9463 -5.6503 -5.6412 -3.3168 -3.3110 -3.1814 -3.1763 -0.6058 -0.5915 -0.4785 -0.4683 0.7470 0.7579 0.8988 0.9031 1.6791 1.6837 2.2516 2.2581 2.5347 2.5377 2.5643 2.5689 12.6882 12.7079 12.7684 12.7726 13.0595 13.0689 13.4200 13.4238 k = 0.2432 0.2394 0.7248 ( 2326 PWs) bands (ev): -17.5040 -17.5039 -16.4573 -16.4534 -15.1589 -15.1530 -15.0771 -15.0769 -5.9251 -5.9233 -5.6747 -5.6651 -3.3154 -3.3098 -3.1809 -3.1758 -0.6005 -0.5852 -0.4851 -0.4741 0.7652 0.7787 0.8757 0.8823 1.6809 1.6854 2.2561 2.2622 2.5389 2.5435 2.5571 2.5617 12.6919 12.7134 12.7656 12.7715 13.0619 13.0713 13.4150 13.4171 k = 0.2500 0.2322 0.7348 ( 2328 PWs) bands (ev): -17.5031 -17.5030 -16.4583 -16.4544 -15.1588 -15.1529 -15.0773 -15.0772 -5.9161 -5.9147 -5.6840 -5.6740 -3.3150 -3.3093 -3.1807 -3.1757 -0.5987 -0.5829 -0.4874 -0.4762 0.7730 0.7884 0.8652 0.8737 1.6816 1.6860 2.2577 2.2635 2.5412 2.5499 2.5503 2.5582 12.6931 12.7154 12.7645 12.7711 13.0627 13.0721 13.4135 13.4146 k = 0.2500 0.2322 0.7348 ( 2328 PWs) bands (ev): -17.5031 -17.5030 -16.4583 -16.4544 -15.1588 -15.1529 -15.0773 -15.0772 -5.9161 -5.9147 -5.6840 -5.6740 -3.3150 -3.3093 -3.1807 -3.1757 -0.5987 -0.5829 -0.4874 -0.4762 0.7730 0.7884 0.8652 0.8737 1.6816 1.6860 2.2577 2.2635 2.5412 2.5499 2.5503 2.5582 12.6931 12.7154 12.7645 12.7711 13.0627 13.0721 13.4135 13.4146 k = 0.2576 0.2392 0.7252 ( 2328 PWs) bands (ev): -17.5035 -17.5034 -16.4579 -16.4540 -15.1588 -15.1530 -15.0772 -15.0771 -5.9204 -5.9188 -5.6798 -5.6700 -3.3147 -3.3091 -3.1804 -3.1754 -0.5996 -0.5841 -0.4863 -0.4752 0.7683 0.7826 0.8698 0.8772 1.6817 1.6861 2.2570 2.2629 2.5399 2.5454 2.5556 2.5607 12.6930 12.7149 12.7649 12.7711 13.0623 13.0718 13.4150 13.4166 k = 0.2652 0.2462 0.7156 ( 2332 PWs) bands (ev): -17.5046 -17.5046 -16.4566 -16.4527 -15.1589 -15.1531 -15.0769 -15.0767 -5.9319 -5.9301 -5.6687 -5.6592 -3.3139 -3.3082 -3.1796 -3.1746 -0.6027 -0.5880 -0.4823 -0.4718 0.7551 0.7672 0.8810 0.8865 1.6823 1.6868 2.2552 2.2613 2.5365 2.5404 2.5629 2.5676 12.6924 12.7133 12.7663 12.7715 13.0612 13.0707 13.4196 13.4222 k = 0.2727 0.2533 0.7060 ( 2343 PWs) bands (ev): -17.5063 -17.5063 -16.4547 -16.4508 -15.1591 -15.1533 -15.0764 -15.0762 -5.9482 -5.9460 -5.6529 -5.6438 -3.3124 -3.3067 -3.1784 -3.1734 -0.6084 -0.5948 -0.4754 -0.4658 0.7358 0.7461 0.8950 0.8989 1.6834 1.6879 2.2525 2.2587 2.5319 2.5352 2.5720 2.5771 12.6914 12.7106 12.7690 12.7725 13.0596 13.0691 13.4270 13.4305 k = 0.2803 0.2603 0.6964 ( 2341 PWs) bands (ev): -17.5085 -17.5084 -16.4522 -16.4483 -15.1594 -15.1536 -15.0757 -15.0755 -5.9670 -5.9646 -5.6344 -5.6257 -3.3103 -3.3046 -3.1768 -3.1718 -0.6163 -0.6041 -0.4657 -0.4570 0.7124 0.7214 0.9094 0.9125 1.6851 1.6897 2.2493 2.2557 2.5268 2.5298 2.5826 2.5881 12.6897 12.7068 12.7729 12.7746 13.0578 13.0673 13.4370 13.4413 k = 0.2879 0.2673 0.6868 ( 2340 PWs) bands (ev): -17.5110 -17.5110 -16.4493 -16.4455 -15.1597 -15.1540 -15.0750 -15.0748 -5.9869 -5.9843 -5.6146 -5.6063 -3.3076 -3.3018 -3.1748 -3.1699 -0.6262 -0.6152 -0.4538 -0.4460 0.6862 0.6943 0.9229 0.9257 1.6874 1.6920 2.2459 2.2523 2.5214 2.5243 2.5942 2.6000 12.6871 12.7022 12.7772 12.7789 13.0560 13.0654 13.4490 13.4539 k = 0.2955 0.2744 0.6772 ( 2336 PWs) bands (ev): -17.5137 -17.5137 -16.4462 -16.4424 -15.1601 -15.1545 -15.0741 -15.0740 -6.0068 -6.0040 -5.5946 -5.5865 -3.3043 -3.2983 -3.1726 -3.1677 -0.6375 -0.6276 -0.4403 -0.4332 0.6580 0.6653 0.9349 0.9377 1.6902 1.6949 2.2425 2.2490 2.5159 2.5187 2.6064 2.6125 12.6837 12.6967 12.7821 12.7856 13.0544 13.0638 13.4625 13.4680 k = 0.3030 0.2814 0.6676 ( 2334 PWs) bands (ev): -17.5166 -17.5166 -16.4429 -16.4391 -15.1606 -15.1550 -15.0733 -15.0732 -6.0260 -6.0231 -5.5748 -5.5670 -3.3004 -3.2944 -3.1700 -3.1652 -0.6497 -0.6408 -0.4256 -0.4190 0.6282 0.6350 0.9450 0.9479 1.6938 1.6984 2.2393 2.2459 2.5102 2.5131 2.6188 2.6251 12.6794 12.6905 12.7883 12.7936 13.0532 13.0626 13.4772 13.4831 k = 0.3106 0.2884 0.6580 ( 2334 PWs) bands (ev): -17.5195 -17.5195 -16.4395 -16.4358 -15.1610 -15.1556 -15.0725 -15.0724 -6.0438 -6.0409 -5.5557 -5.5481 -3.2959 -3.2898 -3.1674 -3.1626 -0.6625 -0.6543 -0.4100 -0.4038 0.5975 0.6039 0.9528 0.9560 1.6979 1.7024 2.2366 2.2431 2.5045 2.5074 2.6311 2.6375 12.6742 12.6839 12.7959 12.8028 13.0524 13.0619 13.4928 13.4990 k = 0.3182 0.2955 0.6484 ( 2334 PWs) bands (ev): -17.5223 -17.5223 -16.4362 -16.4326 -15.1616 -15.1562 -15.0719 -15.0717 -6.0601 -6.0572 -5.5376 -5.5302 -3.2910 -3.2848 -3.1646 -3.1599 -0.6754 -0.6679 -0.3940 -0.3882 0.5662 0.5722 0.9581 0.9616 1.7026 1.7070 2.2345 2.2409 2.4987 2.5019 2.6429 2.6494 12.6685 12.6770 12.8046 12.8128 13.0522 13.0617 13.5089 13.5154 k = 0.3258 0.3025 0.6388 ( 2331 PWs) bands (ev): -17.5250 -17.5250 -16.4331 -16.4295 -15.1621 -15.1568 -15.0714 -15.0710 -6.0743 -6.0714 -5.5206 -5.5134 -3.2858 -3.2794 -3.1617 -3.1570 -0.6881 -0.6812 -0.3778 -0.3724 0.5347 0.5404 0.9609 0.9646 1.7078 1.7121 2.2330 2.2393 2.4931 2.4965 2.6539 2.6605 12.6624 12.6699 12.8142 12.8233 13.0524 13.0620 13.5256 13.5323 k = 0.3333 0.3096 0.6292 ( 2332 PWs) bands (ev): -17.5275 -17.5274 -16.4301 -16.4266 -15.1626 -15.1574 -15.0711 -15.0706 -6.0864 -6.0836 -5.5049 -5.4979 -3.2802 -3.2737 -3.1588 -3.1542 -0.7005 -0.6940 -0.3619 -0.3569 0.5036 0.5089 0.9609 0.9650 1.7135 1.7176 2.2322 2.2383 2.4875 2.4912 2.6640 2.6707 12.6561 12.6629 12.8243 12.8342 13.0531 13.0628 13.5425 13.5495 k = 0.3409 0.3166 0.6196 ( 2330 PWs) bands (ev): -17.5297 -17.5296 -16.4274 -16.4240 -15.1632 -15.1581 -15.0710 -15.0703 -6.0960 -6.0933 -5.4907 -5.4838 -3.2743 -3.2677 -3.1560 -3.1514 -0.7121 -0.7060 -0.3466 -0.3420 0.4732 0.4782 0.9583 0.9627 1.7195 1.7234 2.2320 2.2379 2.4821 2.4861 2.6730 2.6798 12.6498 12.6560 12.8347 12.8450 13.0542 13.0640 13.5598 13.5669 k = 0.3485 0.3236 0.6100 ( 2332 PWs) bands (ev): -17.5315 -17.5315 -16.4251 -16.4217 -15.1637 -15.1587 -15.0713 -15.0704 -6.1032 -6.1005 -5.4779 -5.4712 -3.2683 -3.2616 -3.1533 -3.1487 -0.7230 -0.7171 -0.3324 -0.3282 0.4442 0.4488 0.9531 0.9577 1.7258 1.7295 2.2324 2.2382 2.4769 2.4812 2.6807 2.6876 12.6436 12.6493 12.8450 12.8555 13.0555 13.0653 13.5773 13.5845 k = 0.3561 0.3307 0.6004 ( 2332 PWs) bands (ev): -17.5330 -17.5330 -16.4231 -16.4198 -15.1641 -15.1593 -15.0718 -15.0706 -6.1076 -6.1050 -5.4667 -5.4602 -3.2623 -3.2553 -3.1508 -3.1462 -0.7328 -0.7272 -0.3197 -0.3160 0.4170 0.4213 0.9454 0.9503 1.7321 1.7356 2.2333 2.2389 2.4719 2.4766 2.6870 2.6940 12.6377 12.6429 12.8550 12.8654 13.0569 13.0668 13.5952 13.6025 k = 0.3636 0.3377 0.5908 ( 2328 PWs) bands (ev): -17.5341 -17.5341 -16.4216 -16.4183 -15.1646 -15.1598 -15.0726 -15.0712 -6.1093 -6.1067 -5.4572 -5.4507 -3.2563 -3.2491 -3.1485 -3.1439 -0.7414 -0.7359 -0.3090 -0.3058 0.3922 0.3962 0.9353 0.9405 1.7384 1.7417 2.2347 2.2400 2.4673 2.4723 2.6919 2.6990 12.6319 12.6369 12.8642 12.8743 13.0583 13.0681 13.6133 13.6207 k = 0.3712 0.3447 0.5812 ( 2327 PWs) bands (ev): -17.5348 -17.5347 -16.4204 -16.4172 -15.1650 -15.1603 -15.0737 -15.0721 -6.1081 -6.1056 -5.4493 -5.4430 -3.2504 -3.2430 -3.1465 -3.1418 -0.7486 -0.7433 -0.3008 -0.2983 0.3705 0.3743 0.9231 0.9284 1.7445 1.7476 2.2363 2.2414 2.4629 2.4684 2.6952 2.7025 12.6265 12.6312 12.8724 12.8819 13.0598 13.0693 13.6317 13.6391 k = 0.3788 0.3518 0.5715 ( 2328 PWs) bands (ev): -17.5350 -17.5350 -16.4197 -16.4165 -15.1653 -15.1608 -15.0752 -15.0734 -6.1040 -6.1016 -5.4431 -5.4369 -3.2447 -3.2370 -3.1449 -3.1401 -0.7544 -0.7492 -0.2958 -0.2938 0.3524 0.3560 0.9088 0.9143 1.7503 1.7532 2.2379 2.2429 2.4590 2.4649 2.6970 2.7045 12.6214 12.6260 12.8792 12.8879 13.0613 13.0705 13.6504 13.6578 k = 0.3864 0.3588 0.5619 ( 2326 PWs) bands (ev): -17.5348 -17.5348 -16.4195 -16.4163 -15.1656 -15.1612 -15.0770 -15.0749 -6.0969 -6.0946 -5.4386 -5.4325 -3.2393 -3.2313 -3.1437 -3.1386 -0.7587 -0.7534 -0.2942 -0.2927 0.3383 0.3420 0.8926 0.8984 1.7555 1.7584 2.2394 2.2444 2.4555 2.4618 2.6974 2.7050 12.6166 12.6211 12.8843 12.8918 13.0632 13.0718 13.6691 13.6765 k = 0.3939 0.3658 0.5523 ( 2322 PWs) bands (ev): -17.5342 -17.5341 -16.4197 -16.4165 -15.1659 -15.1616 -15.0792 -15.0768 -6.0869 -6.0846 -5.4358 -5.4298 -3.2342 -3.2260 -3.1429 -3.1376 -0.7613 -0.7560 -0.2967 -0.2952 0.3287 0.3326 0.8749 0.8808 1.7601 1.7630 2.2404 2.2455 2.4525 2.4593 2.6964 2.7042 12.6121 12.6165 12.8871 12.8934 13.0656 13.0736 13.6877 13.6950 k = 0.4015 0.3729 0.5427 ( 2324 PWs) bands (ev): -17.5331 -17.5331 -16.4203 -16.4171 -15.1661 -15.1620 -15.0816 -15.0790 -6.0740 -6.0717 -5.4348 -5.4289 -3.2296 -3.2211 -3.1426 -3.1370 -0.7622 -0.7568 -0.3033 -0.3014 0.3238 0.3279 0.8558 0.8618 1.7639 1.7670 2.2407 2.2459 2.4501 2.4573 2.6941 2.7021 12.6077 12.6122 12.8874 12.8924 13.0690 13.0763 13.7058 13.7131 k = 0.4091 0.3799 0.5331 ( 2324 PWs) bands (ev): -17.5317 -17.5317 -16.4213 -16.4181 -15.1662 -15.1623 -15.0844 -15.0815 -6.0582 -6.0559 -5.4355 -5.4296 -3.2255 -3.2167 -3.1428 -3.1369 -0.7613 -0.7558 -0.3138 -0.3112 0.3235 0.3280 0.8354 0.8416 1.7669 1.7701 2.2399 2.2454 2.4483 2.4560 2.6907 2.6990 12.6036 12.6081 12.8846 12.8888 13.0735 13.0804 13.7232 13.7304 k = 0.4167 0.3869 0.5235 ( 2324 PWs) bands (ev): -17.5300 -17.5299 -16.4227 -16.4195 -15.1663 -15.1625 -15.0874 -15.0842 -6.0395 -6.0373 -5.4379 -5.4320 -3.2220 -3.2128 -3.1434 -3.1373 -0.7587 -0.7530 -0.3276 -0.3242 0.3275 0.3325 0.8140 0.8202 1.7691 1.7725 2.2377 2.2436 2.4474 2.4554 2.6865 2.6950 12.5996 12.6041 12.8786 12.8827 13.0793 13.0860 13.7394 13.7465 k = 0.4242 0.3940 0.5139 ( 2322 PWs) bands (ev): -17.5279 -17.5279 -16.4244 -16.4212 -15.1664 -15.1627 -15.0906 -15.0872 -6.0182 -6.0159 -5.4419 -5.4360 -3.2191 -3.2096 -3.1446 -3.1381 -0.7543 -0.7483 -0.3442 -0.3401 0.3355 0.3410 0.7917 0.7981 1.7702 1.7738 2.2336 2.2399 2.4473 2.4557 2.6816 2.6903 12.5956 12.6003 12.8697 12.8744 13.0865 13.0933 13.7539 13.7609 k = 0.4318 0.4010 0.5043 ( 2319 PWs) bands (ev): -17.5256 -17.5256 -16.4263 -16.4231 -15.1664 -15.1630 -15.0939 -15.0903 -5.9942 -5.9919 -5.4475 -5.4416 -3.2170 -3.2071 -3.1464 -3.1395 -0.7483 -0.7420 -0.3630 -0.3581 0.3470 0.3529 0.7688 0.7752 1.7704 1.7742 2.2273 2.2341 2.4483 2.4570 2.6763 2.6853 12.5916 12.5964 12.8584 12.8639 13.0952 13.1021 13.7664 13.7734 k = 0.4394 0.4080 0.4947 ( 2324 PWs) bands (ev): -17.5232 -17.5231 -16.4285 -16.4252 -15.1664 -15.1631 -15.0974 -15.0935 -5.9678 -5.9655 -5.4546 -5.4486 -3.2155 -3.2054 -3.1486 -3.1414 -0.7407 -0.7340 -0.3833 -0.3777 0.3614 0.3676 0.7454 0.7518 1.7696 1.7735 2.2184 2.2257 2.4504 2.4594 2.6709 2.6801 12.5875 12.5924 12.8454 12.8518 13.1050 13.1122 13.7766 13.7835 k = 0.4470 0.4151 0.4851 ( 2324 PWs) bands (ev): -17.5207 -17.5206 -16.4307 -16.4274 -15.1663 -15.1633 -15.1009 -15.0969 -5.9392 -5.9369 -5.4631 -5.4570 -3.2149 -3.2045 -3.1513 -3.1438 -0.7318 -0.7245 -0.4043 -0.3979 0.3781 0.3846 0.7216 0.7280 1.7676 1.7718 2.2068 2.2143 2.4536 2.4628 2.6657 2.6751 12.5832 12.5882 12.8312 12.8384 13.1160 13.1234 13.7840 13.7909 k = 0.4545 0.4221 0.4755 ( 2320 PWs) bands (ev): -17.5181 -17.5180 -16.4329 -16.4296 -15.1663 -15.1636 -15.1045 -15.1002 -5.9088 -5.9065 -5.4727 -5.4664 -3.2151 -3.2045 -3.1544 -3.1467 -0.7217 -0.7136 -0.4253 -0.4181 0.3967 0.4035 0.6977 0.7041 1.7646 1.7688 2.1922 2.2000 2.4581 2.4674 2.6608 2.6704 12.5788 12.5838 12.8165 12.8244 13.1278 13.1354 13.7886 13.7954 k = 0.4621 0.4292 0.4659 ( 2318 PWs) bands (ev): -17.5157 -17.5156 -16.4351 -16.4316 -15.1662 -15.1638 -15.1080 -15.1035 -5.8770 -5.8748 -5.4830 -5.4765 -3.2161 -3.2053 -3.1581 -3.1501 -0.7108 -0.7019 -0.4456 -0.4374 0.4166 0.4236 0.6739 0.6802 1.7603 1.7647 2.1746 2.1825 2.4636 2.4729 2.6564 2.6662 12.5741 12.5792 12.8016 12.8100 13.1402 13.1479 13.7902 13.7970 k = 0.4697 0.4362 0.4563 ( 2316 PWs) bands (ev): -17.5135 -17.5134 -16.4370 -16.4335 -15.1661 -15.1641 -15.1113 -15.1068 -5.8445 -5.8424 -5.4935 -5.4867 -3.2179 -3.2071 -3.1621 -3.1540 -0.6997 -0.6897 -0.4643 -0.4550 0.4372 0.4445 0.6505 0.6567 1.7548 1.7593 2.1541 2.1620 2.4701 2.4794 2.6527 2.6626 12.5691 12.5743 12.7870 12.7959 13.1530 13.1607 13.7887 13.7955 k = 0.4773 0.4432 0.4467 ( 2312 PWs) bands (ev): -17.5116 -17.5115 -16.4385 -16.4350 -15.1661 -15.1645 -15.1145 -15.1098 -5.8124 -5.8104 -5.5032 -5.4961 -3.2207 -3.2098 -3.1666 -3.1584 -0.6891 -0.6779 -0.4802 -0.4697 0.4578 0.4656 0.6279 0.6340 1.7480 1.7525 2.1309 2.1387 2.4775 2.4867 2.6497 2.6597 12.5640 12.5692 12.7731 12.7822 13.1658 13.1735 13.7843 13.7911 k = 0.4848 0.4503 0.4371 ( 2310 PWs) bands (ev): -17.5102 -17.5101 -16.4395 -16.4359 -15.1662 -15.1650 -15.1174 -15.1127 -5.7825 -5.7807 -5.5105 -5.5030 -3.2242 -3.2134 -3.1715 -3.1634 -0.6800 -0.6675 -0.4921 -0.4803 0.4774 0.4856 0.6072 0.6131 1.7396 1.7442 2.1054 2.1131 2.4856 2.4946 2.6475 2.6576 12.5587 12.5638 12.7599 12.7693 13.1785 13.1862 13.7769 13.7838 k = 0.4924 0.4573 0.4275 ( 2312 PWs) bands (ev): -17.5094 -17.5093 -16.4399 -16.4363 -15.1663 -15.1656 -15.1201 -15.1152 -5.7575 -5.7559 -5.5128 -5.5049 -3.2287 -3.2179 -3.1769 -3.1689 -0.6734 -0.6600 -0.4983 -0.4855 0.4933 0.5022 0.5906 0.5964 1.7294 1.7341 2.0780 2.0856 2.4942 2.5031 2.6460 2.6562 12.5532 12.5584 12.7478 12.7574 13.1908 13.1984 13.7669 13.7737 k = 0.5000 0.4643 0.4179 ( 2310 PWs) bands (ev): -17.5094 -17.5093 -16.4395 -16.4358 -15.1667 -15.1662 -15.1224 -15.1175 -5.7409 -5.7393 -5.5067 -5.4986 -3.2339 -3.2232 -3.1828 -3.1750 -0.6702 -0.6563 -0.4976 -0.4844 0.5005 0.5099 0.5832 0.5890 1.7172 1.7220 2.0493 2.0567 2.5033 2.5121 2.6453 2.6555 12.5479 12.5529 12.7368 12.7464 13.2024 13.2099 13.7543 13.7612 k = 0.5000 0.4643 0.4179 ( 2310 PWs) bands (ev): -17.5094 -17.5093 -16.4395 -16.4358 -15.1667 -15.1662 -15.1224 -15.1175 -5.7409 -5.7393 -5.5067 -5.4986 -3.2339 -3.2232 -3.1828 -3.1750 -0.6702 -0.6563 -0.4976 -0.4844 0.5005 0.5099 0.5832 0.5890 1.7172 1.7220 2.0493 2.0567 2.5033 2.5121 2.6453 2.6555 12.5479 12.5529 12.7368 12.7464 13.2024 13.2099 13.7543 13.7612 k = 0.5000 0.4643 0.4035 ( 2318 PWs) bands (ev): -17.5099 -17.5098 -16.4381 -16.4343 -15.1674 -15.1669 -15.1255 -15.1205 -5.7238 -5.7222 -5.4899 -5.4816 -3.2422 -3.2318 -3.1919 -3.1843 -0.6674 -0.6535 -0.4905 -0.4773 0.5016 0.5110 0.5823 0.5880 1.6960 1.7009 2.0047 2.0118 2.5175 2.5260 2.6453 2.6556 12.5404 12.5454 12.7213 12.7312 13.2188 13.2261 13.7329 13.7400 k = 0.5000 0.4643 0.3891 ( 2314 PWs) bands (ev): -17.5105 -17.5104 -16.4367 -16.4329 -15.1681 -15.1676 -15.1286 -15.1236 -5.7070 -5.7053 -5.4732 -5.4647 -3.2501 -3.2401 -3.2006 -3.1934 -0.6632 -0.6494 -0.4823 -0.4692 0.5026 0.5120 0.5812 0.5868 1.6723 1.6774 1.9586 1.9656 2.5320 2.5403 2.6465 2.6567 12.5340 12.5389 12.7067 12.7167 13.2342 13.2413 13.7105 13.7176 k = 0.5000 0.4643 0.3747 ( 2306 PWs) bands (ev): -17.5111 -17.5110 -16.4354 -16.4316 -15.1688 -15.1682 -15.1316 -15.1266 -5.6906 -5.6888 -5.4567 -5.4481 -3.2576 -3.2480 -3.2089 -3.2020 -0.6578 -0.6439 -0.4730 -0.4600 0.5034 0.5127 0.5797 0.5852 1.6461 1.6513 1.9113 1.9182 2.5468 2.5548 2.6488 2.6590 12.5289 12.5337 12.6931 12.7031 13.2484 13.2553 13.6871 13.6943 k = 0.5000 0.4643 0.3603 ( 2302 PWs) bands (ev): -17.5118 -17.5117 -16.4341 -16.4302 -15.1694 -15.1688 -15.1346 -15.1296 -5.6745 -5.6727 -5.4404 -5.4317 -3.2647 -3.2554 -3.2167 -3.2103 -0.6510 -0.6372 -0.4626 -0.4495 0.5039 0.5132 0.5779 0.5833 1.6175 1.6228 1.8629 1.8697 2.5617 2.5695 2.6523 2.6623 12.5250 12.5298 12.6805 12.6906 13.2612 13.2679 13.6628 13.6700 k = 0.5000 0.4643 0.3459 ( 2302 PWs) bands (ev): -17.5124 -17.5123 -16.4328 -16.4290 -15.1699 -15.1693 -15.1374 -15.1325 -5.6589 -5.6571 -5.4246 -5.4158 -3.2712 -3.2623 -3.2241 -3.2181 -0.6428 -0.6290 -0.4509 -0.4379 0.5042 0.5134 0.5759 0.5811 1.5865 1.5918 1.8136 1.8203 2.5767 2.5843 2.6568 2.6667 12.5224 12.5272 12.6690 12.6792 13.2723 13.2788 13.6376 13.6448 k = 0.5000 0.4643 0.3315 ( 2298 PWs) bands (ev): -17.5131 -17.5130 -16.4315 -16.4277 -15.1704 -15.1698 -15.1402 -15.1353 -5.6439 -5.6421 -5.4091 -5.4003 -3.2770 -3.2687 -3.2311 -3.2254 -0.6333 -0.6195 -0.4379 -0.4250 0.5043 0.5134 0.5736 0.5787 1.5532 1.5586 1.7636 1.7701 2.5916 2.5990 2.6622 2.6719 12.5212 12.5260 12.6588 12.6690 13.2815 13.2880 13.6118 13.6190 k = 0.5000 0.4643 0.3171 ( 2302 PWs) bands (ev): -17.5138 -17.5137 -16.4303 -16.4266 -15.1709 -15.1702 -15.1429 -15.1381 -5.6296 -5.6277 -5.3941 -5.3853 -3.2823 -3.2743 -3.2375 -3.2322 -0.6224 -0.6087 -0.4236 -0.4107 0.5040 0.5132 0.5712 0.5760 1.5176 1.5232 1.7129 1.7194 2.6065 2.6136 2.6685 2.6779 12.5213 12.5261 12.6500 12.6601 13.2889 13.2952 13.5853 13.5925 k = 0.5000 0.4643 0.3026 ( 2306 PWs) bands (ev): -17.5145 -17.5144 -16.4292 -16.4254 -15.1712 -15.1705 -15.1454 -15.1407 -5.6159 -5.6141 -5.3797 -5.3709 -3.2868 -3.2793 -3.2434 -3.2385 -0.6101 -0.5964 -0.4079 -0.3951 0.5036 0.5127 0.5684 0.5731 1.4800 1.4856 1.6619 1.6683 2.6212 2.6281 2.6755 2.6847 12.5229 12.5277 12.6425 12.6526 13.2941 13.3003 13.5584 13.5655 k = 0.5000 0.4643 0.2882 ( 2308 PWs) bands (ev): -17.5152 -17.5151 -16.4281 -16.4244 -15.1715 -15.1708 -15.1479 -15.1433 -5.6029 -5.6011 -5.3658 -5.3572 -3.2907 -3.2837 -3.2488 -3.2442 -0.5965 -0.5828 -0.3908 -0.3781 0.5028 0.5119 0.5655 0.5699 1.4404 1.4461 1.6108 1.6171 2.6357 2.6424 2.6831 2.6920 12.5258 12.5307 12.6365 12.6466 13.2972 13.3033 13.5311 13.5381 k = 0.5000 0.4643 0.2738 ( 2306 PWs) bands (ev): -17.5160 -17.5159 -16.4270 -16.4234 -15.1718 -15.1710 -15.1501 -15.1458 -5.5907 -5.5889 -5.3526 -5.3440 -3.2938 -3.2873 -3.2537 -3.2495 -0.5815 -0.5679 -0.3722 -0.3596 0.5018 0.5109 0.5624 0.5666 1.3990 1.4047 1.5598 1.5660 2.6500 2.6563 2.6912 2.6997 12.5301 12.5350 12.6320 12.6420 13.2980 13.3041 13.5035 13.5104 k = 0.5000 0.4643 0.2594 ( 2310 PWs) bands (ev): -17.5167 -17.5166 -16.4260 -16.4225 -15.1720 -15.1712 -15.1523 -15.1481 -5.5794 -5.5776 -5.3400 -5.3317 -3.2963 -3.2902 -3.2581 -3.2542 -0.5652 -0.5518 -0.3522 -0.3397 0.5005 0.5096 0.5592 0.5632 1.3559 1.3615 1.5091 1.5151 2.6639 2.6700 2.6996 2.7078 12.5357 12.5407 12.6290 12.6388 13.2965 13.3027 13.4758 13.4825 k = 0.5000 0.4643 0.2450 ( 2314 PWs) bands (ev): -17.5174 -17.5173 -16.4251 -16.4217 -15.1722 -15.1713 -15.1543 -15.1503 -5.5688 -5.5671 -5.3282 -5.3200 -3.2980 -3.2924 -3.2620 -3.2584 -0.5478 -0.5344 -0.3308 -0.3183 0.4988 0.5081 0.5557 0.5595 1.3111 1.3167 1.4591 1.4648 2.6774 2.6832 2.7083 2.7161 12.5427 12.5478 12.6275 12.6372 13.2928 13.2991 13.4482 13.4547 k = 0.5000 0.4643 0.2306 ( 2308 PWs) bands (ev): -17.5181 -17.5180 -16.4242 -16.4209 -15.1723 -15.1714 -15.1562 -15.1524 -5.5590 -5.5574 -5.3170 -5.3091 -3.2992 -3.2940 -3.2653 -3.2621 -0.5292 -0.5160 -0.3078 -0.2954 0.4969 0.5062 0.5521 0.5558 1.2650 1.2705 1.4099 1.4153 2.6905 2.6960 2.7171 2.7245 12.5509 12.5561 12.6275 12.6370 13.2869 13.2933 13.4208 13.4270 k = 0.5000 0.4643 0.2162 ( 2308 PWs) bands (ev): -17.5188 -17.5187 -16.4233 -16.4202 -15.1724 -15.1714 -15.1579 -15.1544 -5.5501 -5.5485 -5.3066 -5.2990 -3.2997 -3.2950 -3.2682 -3.2653 -0.5096 -0.4965 -0.2833 -0.2711 0.4946 0.5041 0.5483 0.5519 1.2176 1.2229 1.3618 1.3669 2.7032 2.7083 2.7260 2.7329 12.5602 12.5655 12.6290 12.6383 13.2788 13.2855 13.3938 13.3996 k = 0.5000 0.4643 0.2018 ( 2308 PWs) bands (ev): -17.5195 -17.5194 -16.4225 -16.4195 -15.1725 -15.1714 -15.1595 -15.1563 -5.5420 -5.5404 -5.2969 -5.2896 -3.2997 -3.2955 -3.2705 -3.2681 -0.4890 -0.4762 -0.2574 -0.2453 0.4920 0.5017 0.5442 0.5478 1.1692 1.1743 1.3151 1.3198 2.7152 2.7200 2.7347 2.7412 12.5707 12.5761 12.6319 12.6410 13.2685 13.2756 13.3674 13.3726 k = 0.5000 0.4643 0.1873 ( 2308 PWs) bands (ev): -17.5202 -17.5201 -16.4218 -16.4189 -15.1726 -15.1714 -15.1609 -15.1580 -5.5346 -5.5331 -5.2880 -5.2810 -3.2993 -3.2956 -3.2725 -3.2705 -0.4677 -0.4551 -0.2301 -0.2181 0.4891 0.4989 0.5399 0.5437 1.1202 1.1250 1.2699 1.2742 2.7267 2.7312 2.7433 2.7493 12.5821 12.5877 12.6362 12.6449 13.2562 13.2637 13.3417 13.3464 k = 0.5000 0.4643 0.1729 ( 2308 PWs) bands (ev): -17.5208 -17.5207 -16.4211 -16.4184 -15.1726 -15.1714 -15.1621 -15.1595 -5.5280 -5.5266 -5.2798 -5.2732 -3.2985 -3.2952 -3.2740 -3.2724 -0.4458 -0.4335 -0.2014 -0.1895 0.4858 0.4959 0.5353 0.5394 1.0707 1.0753 1.2266 1.2304 2.7376 2.7416 2.7516 2.7571 12.5944 12.6001 12.6419 12.6501 13.2420 13.2500 13.3172 13.3212 k = 0.5000 0.4643 0.1585 ( 2308 PWs) bands (ev): -17.5214 -17.5213 -16.4205 -16.4180 -15.1727 -15.1713 -15.1632 -15.1610 -5.5222 -5.5208 -5.2723 -5.2661 -3.2973 -3.2946 -3.2751 -3.2740 -0.4235 -0.4116 -0.1715 -0.1597 0.4822 0.4924 0.5303 0.5350 1.0212 1.0255 1.1852 1.1886 2.7477 2.7514 2.7596 2.7645 12.6073 12.6133 12.6487 12.6564 13.2259 13.2345 13.2938 13.2972 k = 0.5000 0.4643 0.1441 ( 2312 PWs) bands (ev): -17.5220 -17.5219 -16.4199 -16.4176 -15.1728 -15.1713 -15.1641 -15.1623 -5.5170 -5.5158 -5.2655 -5.2598 -3.2960 -3.2937 -3.2759 -3.2752 -0.4011 -0.3896 -0.1403 -0.1288 0.4782 0.4885 0.5249 0.5302 0.9722 0.9763 1.1461 1.1492 2.7571 2.7604 2.7672 2.7716 12.6207 12.6269 12.6565 12.6637 13.2085 13.2174 13.2718 13.2746 k = 0.5000 0.4643 0.1297 ( 2312 PWs) bands (ev): -17.5225 -17.5224 -16.4194 -16.4173 -15.1728 -15.1713 -15.1649 -15.1634 -5.5125 -5.5113 -5.2594 -5.2542 -3.2946 -3.2926 -3.2764 -3.2760 -0.3788 -0.3679 -0.1082 -0.0969 0.4740 0.4842 0.5190 0.5251 0.9241 0.9280 1.1096 1.1123 2.7658 2.7687 2.7743 2.7781 12.6344 12.6409 12.6654 12.6718 13.1899 13.1991 13.2513 13.2535 k = 0.5000 0.4643 0.1153 ( 2316 PWs) bands (ev): -17.5230 -17.5229 -16.4189 -16.4170 -15.1729 -15.1713 -15.1656 -15.1644 -5.5085 -5.5075 -5.2540 -5.2493 -3.2933 -3.2915 -3.2769 -3.2764 -0.3569 -0.3467 -0.0753 -0.0643 0.4694 0.4796 0.5124 0.5193 0.8776 0.8813 1.0758 1.0783 2.7736 2.7761 2.7809 2.7841 12.6482 12.6548 12.6749 12.6805 13.1710 13.1801 13.2321 13.2340 k = 0.5000 0.4643 0.1009 ( 2310 PWs) bands (ev): -17.5234 -17.5234 -16.4184 -16.4168 -15.1730 -15.1714 -15.1661 -15.1653 -5.5052 -5.5043 -5.2493 -5.2451 -3.2920 -3.2903 -3.2773 -3.2763 -0.3359 -0.3265 -0.0420 -0.0313 0.4648 0.4745 0.5050 0.5127 0.8335 0.8371 1.0452 1.0474 2.7806 2.7828 2.7868 2.7896 12.6616 12.6685 12.6849 12.6896 13.1522 13.1611 13.2144 13.2161 k = 0.5000 0.4643 0.0865 ( 2318 PWs) bands (ev): -17.5238 -17.5238 -16.4181 -16.4166 -15.1731 -15.1715 -15.1665 -15.1659 -5.5023 -5.5016 -5.2451 -5.2415 -3.2909 -3.2892 -3.2774 -3.2762 -0.3162 -0.3076 -0.0086 0.0016 0.4601 0.4692 0.4965 0.5049 0.7925 0.7961 1.0179 1.0200 2.7866 2.7885 2.7922 2.7944 12.6745 12.6815 12.6952 12.6989 13.1342 13.1425 13.1981 13.1996 k = 0.5000 0.4643 0.0721 ( 2322 PWs) bands (ev): -17.5241 -17.5241 -16.4177 -16.4165 -15.1731 -15.1717 -15.1668 -15.1665 -5.5000 -5.4993 -5.2417 -5.2386 -3.2899 -3.2882 -3.2772 -3.2759 -0.2982 -0.2907 0.0241 0.0337 0.4555 0.4638 0.4867 0.4956 0.7559 0.7594 0.9944 0.9963 2.7917 2.7934 2.7968 2.7986 12.6864 12.6932 12.7052 12.7080 13.1177 13.1252 13.1835 13.1848 k = 0.5000 0.4643 0.0576 ( 2326 PWs) bands (ev): -17.5244 -17.5244 -16.4174 -16.4164 -15.1732 -15.1719 -15.1670 -15.1668 -5.4981 -5.4976 -5.2388 -5.2363 -3.2890 -3.2875 -3.2769 -3.2756 -0.2823 -0.2761 0.0553 0.0640 0.4515 0.4585 0.4759 0.4847 0.7248 0.7281 0.9749 0.9765 2.7960 2.7974 2.8006 2.8020 12.6971 12.7034 12.7145 12.7165 13.1032 13.1096 13.1709 13.1720 k = 0.5000 0.4643 0.0432 ( 2330 PWs) bands (ev): -17.5246 -17.5246 -16.4171 -16.4164 -15.1732 -15.1722 -15.1672 -15.1671 -5.4967 -5.4963 -5.2365 -5.2346 -3.2883 -3.2871 -3.2765 -3.2753 -0.2691 -0.2643 0.0836 0.0910 0.4480 0.4535 0.4646 0.4727 0.7003 0.7031 0.9595 0.9608 2.7993 2.8004 2.8037 2.8048 12.7062 12.7114 12.7227 12.7241 13.0914 13.0965 13.1605 13.1614 k = 0.5000 0.4643 0.0288 ( 2342 PWs) bands (ev): -17.5248 -17.5248 -16.4169 -16.4164 -15.1731 -15.1724 -15.1673 -15.1672 -5.4956 -5.4954 -5.2348 -5.2335 -3.2878 -3.2869 -3.2760 -3.2752 -0.2591 -0.2558 0.1071 0.1127 0.4452 0.4490 0.4546 0.4609 0.6829 0.6850 0.9485 0.9494 2.8017 2.8025 2.8060 2.8067 12.7133 12.7170 12.7291 12.7300 13.0827 13.0863 13.1528 13.1534 k = 0.5000 0.4643 0.0144 ( 2350 PWs) bands (ev): -17.5249 -17.5249 -16.4167 -16.4165 -15.1730 -15.1727 -15.1673 -15.1673 -5.4950 -5.4949 -5.2336 -5.2330 -3.2873 -3.2869 -3.2756 -3.2752 -0.2526 -0.2509 0.1235 0.1265 0.4427 0.4449 0.4489 0.4523 0.6728 0.6740 0.9420 0.9424 2.8032 2.8036 2.8074 2.8078 12.7182 12.7201 12.7333 12.7337 13.0777 13.0795 13.1480 13.1484 k = 0.5000 0.4643-0.0000 ( 2350 PWs) bands (ev): -17.5249 -17.5249 -16.4166 -16.4166 -15.1729 -15.1729 -15.1673 -15.1673 -5.4947 -5.4947 -5.2330 -5.2330 -3.2870 -3.2870 -3.2753 -3.2753 -0.2498 -0.2498 0.1303 0.1303 0.4420 0.4420 0.4485 0.4485 0.6699 0.6699 0.9400 0.9400 2.8039 2.8039 2.8080 2.8080 12.7205 12.7205 12.7349 12.7349 13.0766 13.0766 13.1466 13.1466 k = 0.0000 0.0000 0.7348 ( 2336 PWs) bands (ev): -17.5043 -17.5043 -16.4589 -16.4589 -15.1514 -15.1514 -15.0738 -15.0738 -5.9894 -5.9894 -5.7433 -5.7433 -3.1012 -3.1012 -3.0188 -3.0188 -0.5629 -0.5629 -0.5422 -0.5422 0.4731 0.4731 0.5576 0.5576 1.8115 1.8115 2.2699 2.2699 2.6786 2.6786 2.7063 2.7063 12.7291 12.7291 12.9561 12.9561 13.0087 13.0087 13.9196 13.9196 k = 0.0104 0.0097 0.7348 ( 2336 PWs) bands (ev): -17.5043 -17.5042 -16.4590 -16.4587 -15.1516 -15.1512 -15.0738 -15.0738 -5.9891 -5.9890 -5.7433 -5.7427 -3.1023 -3.1019 -3.0197 -3.0194 -0.5631 -0.5619 -0.5430 -0.5419 0.4738 0.4750 0.5583 0.5590 1.8111 1.8113 2.2697 2.2699 2.6778 2.6782 2.7054 2.7059 12.7290 12.7294 12.9500 12.9566 13.0077 13.0135 13.9156 13.9162 k = 0.0208 0.0193 0.7348 ( 2336 PWs) bands (ev): -17.5042 -17.5042 -16.4591 -16.4586 -15.1519 -15.1511 -15.0738 -15.0738 -5.9883 -5.9881 -5.7429 -5.7416 -3.1053 -3.1045 -3.0218 -3.0213 -0.5627 -0.5603 -0.5440 -0.5419 0.4771 0.4796 0.5613 0.5627 1.8099 1.8103 2.2696 2.2700 2.6760 2.6767 2.7035 2.7044 12.7291 12.7297 12.9402 12.9513 13.0108 13.0201 13.9046 13.9056 k = 0.0312 0.0290 0.7348 ( 2336 PWs) bands (ev): -17.5042 -17.5042 -16.4592 -16.4584 -15.1521 -15.1510 -15.0739 -15.0739 -5.9868 -5.9866 -5.7419 -5.7400 -3.1101 -3.1089 -3.0254 -3.0246 -0.5619 -0.5581 -0.5452 -0.5423 0.4830 0.4866 0.5664 0.5685 1.8080 1.8086 2.2693 2.2699 2.6731 2.6742 2.7003 2.7017 12.7292 12.7302 12.9283 12.9419 13.0163 13.0272 13.8872 13.8888 k = 0.0417 0.0387 0.7348 ( 2336 PWs) bands (ev): -17.5042 -17.5042 -16.4592 -16.4582 -15.1525 -15.1509 -15.0740 -15.0740 -5.9848 -5.9845 -5.7404 -5.7379 -3.1166 -3.1150 -3.0302 -3.0291 -0.5609 -0.5555 -0.5462 -0.5427 0.4913 0.4961 0.5737 0.5764 1.8053 1.8062 2.2690 2.2698 2.6692 2.6707 2.6961 2.6979 12.7295 12.7309 12.9150 12.9301 13.0226 13.0341 13.8648 13.8667 k = 0.0521 0.0484 0.7348 ( 2336 PWs) bands (ev): -17.5041 -17.5041 -16.4592 -16.4580 -15.1528 -15.1509 -15.0742 -15.0741 -5.9823 -5.9819 -5.7384 -5.7354 -3.1247 -3.1227 -3.0361 -3.0348 -0.5604 -0.5532 -0.5464 -0.5427 0.5020 0.5078 0.5830 0.5863 1.8020 1.8031 2.2686 2.2697 2.6644 2.6662 2.6907 2.6930 12.7300 12.7317 12.9007 12.9169 13.0288 13.0405 13.8384 13.8406 k = 0.0625 0.0580 0.7348 ( 2338 PWs) bands (ev): -17.5041 -17.5041 -16.4593 -16.4578 -15.1532 -15.1509 -15.0743 -15.0743 -5.9792 -5.9787 -5.7360 -5.7324 -3.1342 -3.1319 -3.0432 -3.0416 -0.5609 -0.5523 -0.5452 -0.5412 0.5147 0.5215 0.5942 0.5981 1.7979 1.7992 2.2682 2.2695 2.6586 2.6608 2.6844 2.6872 12.7307 12.7327 12.8858 12.9027 13.0346 13.0463 13.8093 13.8117 k = 0.0729 0.0677 0.7348 ( 2338 PWs) bands (ev): -17.5040 -17.5040 -16.4592 -16.4575 -15.1536 -15.1510 -15.0745 -15.0744 -5.9758 -5.9752 -5.7332 -5.7290 -3.1450 -3.1423 -3.0512 -3.0494 -0.5627 -0.5530 -0.5426 -0.5378 0.5292 0.5371 0.6073 0.6118 1.7932 1.7947 2.2677 2.2692 2.6521 2.6546 2.6772 2.6804 12.7315 12.7339 12.8704 12.8879 13.0399 13.0514 13.7783 13.7808 k = 0.0833 0.0774 0.7348 ( 2338 PWs) bands (ev): -17.5040 -17.5039 -16.4592 -16.4573 -15.1540 -15.1510 -15.0747 -15.0746 -5.9719 -5.9712 -5.7301 -5.7253 -3.1568 -3.1538 -3.0601 -3.0580 -0.5652 -0.5547 -0.5390 -0.5334 0.5454 0.5542 0.6221 0.6271 1.7877 1.7895 2.2672 2.2689 2.6448 2.6478 2.6691 2.6729 12.7326 12.7353 12.8547 12.8728 13.0445 13.0558 13.7462 13.7488 k = 0.0938 0.0871 0.7348 ( 2346 PWs) bands (ev): -17.5039 -17.5039 -16.4592 -16.4570 -15.1544 -15.1511 -15.0749 -15.0748 -5.9677 -5.9669 -5.7267 -5.7214 -3.1696 -3.1662 -3.0696 -3.0672 -0.5681 -0.5569 -0.5348 -0.5284 0.5629 0.5725 0.6384 0.6439 1.7816 1.7836 2.2666 2.2686 2.6370 2.6403 2.6603 2.6646 12.7339 12.7370 12.8390 12.8575 13.0484 13.0595 13.7138 13.7164 k = 0.1042 0.0967 0.7348 ( 2338 PWs) bands (ev): -17.5038 -17.5038 -16.4591 -16.4568 -15.1548 -15.1513 -15.0751 -15.0750 -5.9632 -5.9624 -5.7230 -5.7172 -3.1829 -3.1793 -3.0797 -3.0770 -0.5712 -0.5594 -0.5303 -0.5231 0.5814 0.5918 0.6561 0.6620 1.7748 1.7771 2.2659 2.2682 2.6287 2.6324 2.6510 2.6557 12.7355 12.7389 12.8234 12.8424 13.0517 13.0627 13.6816 13.6842 k = 0.1146 0.1064 0.7348 ( 2334 PWs) bands (ev): -17.5038 -17.5037 -16.4591 -16.4565 -15.1553 -15.1514 -15.0753 -15.0753 -5.9585 -5.9576 -5.7191 -5.7128 -3.1966 -3.1927 -3.0900 -3.0871 -0.5744 -0.5620 -0.5256 -0.5177 0.6006 0.6117 0.6748 0.6811 1.7675 1.7700 2.2653 2.2678 2.6200 2.6241 2.6412 2.6464 12.7373 12.7411 12.8081 12.8274 13.0545 13.0652 13.6499 13.6525 k = 0.1250 0.1161 0.7348 ( 2330 PWs) bands (ev): -17.5037 -17.5036 -16.4590 -16.4562 -15.1557 -15.1515 -15.0755 -15.0755 -5.9538 -5.9528 -5.7152 -5.7084 -3.2105 -3.2064 -3.1006 -3.0974 -0.5776 -0.5646 -0.5208 -0.5124 0.6202 0.6320 0.6943 0.7011 1.7597 1.7624 2.2645 2.2674 2.6112 2.6157 2.6311 2.6368 12.7392 12.7435 12.7933 12.8129 13.0567 13.0672 13.6192 13.6217 k = 0.1354 0.1258 0.7348 ( 2330 PWs) bands (ev): -17.5036 -17.5036 -16.4589 -16.4560 -15.1561 -15.1517 -15.0758 -15.0757 -5.9490 -5.9479 -5.7112 -5.7040 -3.2243 -3.2200 -3.1111 -3.1076 -0.5806 -0.5671 -0.5161 -0.5072 0.6399 0.6522 0.7144 0.7214 1.7515 1.7544 2.2638 2.2670 2.6023 2.6072 2.6209 2.6270 12.7414 12.7462 12.7791 12.7989 13.0585 13.0688 13.5898 13.5922 k = 0.1458 0.1354 0.7348 ( 2330 PWs) bands (ev): -17.5035 -17.5035 -16.4589 -16.4557 -15.1565 -15.1519 -15.0760 -15.0759 -5.9442 -5.9431 -5.7073 -5.6996 -3.2379 -3.2333 -3.1214 -3.1177 -0.5835 -0.5696 -0.5116 -0.5022 0.6593 0.6722 0.7347 0.7420 1.7429 1.7460 2.2630 2.2665 2.5936 2.5989 2.6107 2.6173 12.7435 12.7490 12.7659 12.7856 13.0598 13.0700 13.5619 13.5641 k = 0.1562 0.1451 0.7348 ( 2330 PWs) bands (ev): -17.5035 -17.5034 -16.4588 -16.4555 -15.1569 -15.1520 -15.0762 -15.0761 -5.9396 -5.9384 -5.7035 -5.6954 -3.2509 -3.2461 -3.1313 -3.1274 -0.5863 -0.5720 -0.5074 -0.4976 0.6781 0.6914 0.7548 0.7624 1.7341 1.7375 2.2622 2.2661 2.5850 2.5908 2.6007 2.6078 12.7445 12.7519 12.7548 12.7731 13.0608 13.0709 13.5358 13.5379 k = 0.1667 0.1548 0.7348 ( 2334 PWs) bands (ev): -17.5034 -17.5033 -16.4587 -16.4553 -15.1573 -15.1522 -15.0764 -15.0763 -5.9352 -5.9340 -5.6998 -5.6914 -3.2632 -3.2582 -3.1407 -3.1366 -0.5888 -0.5742 -0.5034 -0.4933 0.6959 0.7097 0.7744 0.7822 1.7254 1.7289 2.2615 2.2656 2.5769 2.5831 2.5912 2.5987 12.7387 12.7515 12.7549 12.7617 13.0616 13.0714 13.5117 13.5136 k = 0.1771 0.1645 0.7348 ( 2336 PWs) bands (ev): -17.5033 -17.5033 -16.4586 -16.4551 -15.1576 -15.1523 -15.0766 -15.0765 -5.9311 -5.9298 -5.6964 -5.6876 -3.2745 -3.2694 -3.1494 -3.1451 -0.5910 -0.5761 -0.4998 -0.4894 0.7126 0.7267 0.7931 0.8011 1.7168 1.7205 2.2607 2.2652 2.5693 2.5760 2.5823 2.5901 12.7290 12.7511 12.7533 12.7581 13.0621 13.0718 13.4898 13.4915 k = 0.1875 0.1741 0.7348 ( 2336 PWs) bands (ev): -17.5033 -17.5032 -16.4586 -16.4549 -15.1579 -15.1525 -15.0768 -15.0767 -5.9274 -5.9260 -5.6933 -5.6842 -3.2847 -3.2795 -3.1573 -3.1528 -0.5930 -0.5779 -0.4966 -0.4860 0.7277 0.7421 0.8105 0.8186 1.7086 1.7125 2.2600 2.2648 2.5624 2.5695 2.5742 2.5822 12.7199 12.7420 12.7557 12.7610 13.0624 13.0720 13.4703 13.4719 k = 0.1979 0.1838 0.7348 ( 2332 PWs) bands (ev): -17.5032 -17.5032 -16.4585 -16.4548 -15.1582 -15.1526 -15.0769 -15.0768 -5.9241 -5.9227 -5.6906 -5.6812 -3.2936 -3.2883 -3.1642 -3.1596 -0.5947 -0.5794 -0.4939 -0.4830 0.7409 0.7557 0.8261 0.8344 1.7011 1.7051 2.2593 2.2644 2.5563 2.5639 2.5670 2.5753 12.7119 12.7340 12.7580 12.7638 13.0626 13.0722 13.4534 13.4548 k = 0.2083 0.1935 0.7348 ( 2338 PWs) bands (ev): -17.5032 -17.5031 -16.4584 -16.4546 -15.1584 -15.1527 -15.0770 -15.0770 -5.9213 -5.9199 -5.6883 -5.6787 -3.3012 -3.2957 -3.1700 -3.1652 -0.5961 -0.5807 -0.4916 -0.4806 0.7522 0.7671 0.8396 0.8479 1.6945 1.6987 2.2587 2.2641 2.5510 2.5591 2.5610 2.5693 12.7052 12.7274 12.7602 12.7662 13.0627 13.0722 13.4393 13.4406 k = 0.2188 0.2031 0.7348 ( 2330 PWs) bands (ev): -17.5031 -17.5031 -16.4584 -16.4545 -15.1586 -15.1528 -15.0771 -15.0771 -5.9191 -5.9177 -5.6864 -5.6767 -3.3071 -3.3016 -3.1746 -3.1698 -0.5972 -0.5816 -0.4898 -0.4786 0.7611 0.7763 0.8505 0.8590 1.6890 1.6933 2.2583 2.2639 2.5468 2.5553 2.5562 2.5645 12.7000 12.7222 12.7620 12.7683 13.0627 13.0722 13.4281 13.4293 k = 0.2292 0.2128 0.7348 ( 2320 PWs) bands (ev): -17.5031 -17.5030 -16.4584 -16.4545 -15.1587 -15.1529 -15.0772 -15.0771 -5.9175 -5.9160 -5.6850 -5.6752 -3.3114 -3.3059 -3.1780 -3.1730 -0.5980 -0.5823 -0.4885 -0.4773 0.7677 0.7830 0.8586 0.8671 1.6850 1.6893 2.2579 2.2637 2.5437 2.5526 2.5527 2.5611 12.6962 12.7185 12.7634 12.7698 13.0627 13.0722 13.4201 13.4212 k = 0.2396 0.2225 0.7348 ( 2332 PWs) bands (ev): -17.5031 -17.5030 -16.4583 -16.4544 -15.1588 -15.1529 -15.0773 -15.0772 -5.9165 -5.9150 -5.6842 -5.6743 -3.3141 -3.3085 -3.1800 -3.1750 -0.5985 -0.5828 -0.4877 -0.4764 0.7716 0.7870 0.8636 0.8721 1.6824 1.6868 2.2577 2.2636 2.5418 2.5506 2.5509 2.5589 12.6939 12.7162 12.7642 12.7707 13.0627 13.0722 13.4152 13.4162 k = 0.2500 0.2322 0.7348 ( 2328 PWs) bands (ev): -17.5031 -17.5030 -16.4583 -16.4544 -15.1588 -15.1529 -15.0773 -15.0772 -5.9161 -5.9147 -5.6840 -5.6740 -3.3150 -3.3093 -3.1807 -3.1757 -0.5987 -0.5829 -0.4874 -0.4762 0.7730 0.7884 0.8652 0.8737 1.6816 1.6860 2.2577 2.2635 2.5412 2.5499 2.5503 2.5582 12.6931 12.7154 12.7645 12.7711 13.0627 13.0721 13.4135 13.4146 Writing output data file BPO4.save init_run : 3.72s CPU 12.04s WALL ( 1 calls) electrons : 425.27s CPU 430.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.56s CPU 1.95s WALL ( 1 calls) Called by electrons: c_bands : 425.23s CPU 430.54s WALL ( 1 calls) v_of_rho : 0.24s CPU 0.92s WALL ( 1 calls) v_h : 0.06s CPU 0.11s WALL ( 1 calls) v_xc : 0.18s CPU 0.63s WALL ( 1 calls) newd : 0.33s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 378 calls) cegterg : 404.29s CPU 407.34s WALL ( 759 calls) Called by sum_band: Called by *egterg: h_psi : 179.62s CPU 186.38s WALL ( 14039 calls) s_psi : 13.54s CPU 14.60s WALL ( 14039 calls) g_psi : 0.33s CPU 0.47s WALL ( 12902 calls) cdiaghg : 159.21s CPU 157.32s WALL ( 13280 calls) cegterg:over : 33.23s CPU 29.52s WALL ( 12902 calls) cegterg:upda : 3.72s CPU 6.77s WALL ( 12902 calls) cegterg:last : 3.87s CPU 4.77s WALL ( 2295 calls) Called by h_psi: h_psi:vloc : 146.01s CPU 152.45s WALL ( 14039 calls) h_psi:vnl : 33.49s CPU 33.55s WALL ( 14039 calls) add_vuspsi : 7.21s CPU 11.23s WALL ( 14039 calls) General routines calbec : 26.24s CPU 22.19s WALL ( 14039 calls) fft : 0.62s CPU 1.49s WALL ( 19 calls) ffts : 0.04s CPU 0.46s WALL ( 4 calls) fftw : 137.21s CPU 142.50s WALL ( 1171984 calls) interpolate : 0.18s CPU 0.61s WALL ( 4 calls) davcio : 0.04s CPU 1.07s WALL ( 756 calls) Parallel routines fft_scatter : 94.21s CPU 98.05s WALL ( 1172007 calls) PWSCF : 7m49.68s CPU 9m 4.99s WALL This run was terminated on: 5:36:56 12Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=