Program PWSCF v.5.4.0 starts on 3Aug2017 at 18:41:26 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./H12C5O4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 90 52 14 2799 1205 182 Max 91 53 15 2803 1235 185 Sum 3267 1885 529 100825 43999 6607 bravais-lattice index = 14 lattice parameter (alat) = 11.2100 a.u. unit-cell volume = 1009.9916 (a.u.)^3 number of atoms/cell = 21 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.210037 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.485534 celldm(5)= -0.485534 celldm(6)= -0.028932 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.028932 0.999581 0.000000 ) a(3) = ( -0.485534 -0.499791 0.717263 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.028945 0.697094 ) b(2) = ( 0.000000 1.000419 0.697094 ) b(3) = ( 0.000000 0.000000 1.394189 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 290 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0000000 0.0000000 0.0188404), wk = 0.0034483 k( 3) = ( 0.0000000 0.0000000 0.0376808), wk = 0.0034483 k( 4) = ( 0.0000000 0.0000000 0.0565212), wk = 0.0034483 k( 5) = ( 0.0000000 0.0000000 0.0753615), wk = 0.0034483 k( 6) = ( 0.0000000 0.0000000 0.0942019), wk = 0.0034483 k( 7) = ( 0.0000000 0.0000000 0.1130423), wk = 0.0034483 k( 8) = ( 0.0000000 0.0000000 0.1318827), wk = 0.0034483 k( 9) = ( 0.0000000 0.0000000 0.1507231), wk = 0.0034483 k( 10) = ( 0.0000000 0.0000000 0.1695635), wk = 0.0034483 k( 11) = ( 0.0000000 0.0000000 0.1884039), wk = 0.0034483 k( 12) = ( 0.0000000 0.0000000 0.2072443), wk = 0.0034483 k( 13) = ( 0.0000000 0.0000000 0.2260847), wk = 0.0034483 k( 14) = ( 0.0000000 0.0000000 0.2449250), wk = 0.0034483 k( 15) = ( 0.0000000 0.0000000 0.2637654), wk = 0.0034483 k( 16) = ( 0.0000000 0.0000000 0.2826058), wk = 0.0034483 k( 17) = ( 0.0000000 0.0000000 0.3014462), wk = 0.0034483 k( 18) = ( 0.0000000 0.0000000 0.3202866), wk = 0.0034483 k( 19) = ( 0.0000000 0.0000000 0.3391270), wk = 0.0034483 k( 20) = ( 0.0000000 0.0000000 0.3579674), wk = 0.0034483 k( 21) = ( 0.0000000 0.0000000 0.3768078), wk = 0.0034483 k( 22) = ( 0.0000000 0.0000000 0.3956481), wk = 0.0034483 k( 23) = ( 0.0000000 0.0000000 0.4144885), wk = 0.0034483 k( 24) = ( 0.0000000 0.0000000 0.4333289), wk = 0.0034483 k( 25) = ( 0.0000000 0.0000000 0.4521693), wk = 0.0034483 k( 26) = ( 0.0000000 0.0000000 0.4710097), wk = 0.0034483 k( 27) = ( 0.0000000 0.0000000 0.4898501), wk = 0.0034483 k( 28) = ( 0.0000000 0.0000000 0.5086905), wk = 0.0034483 k( 29) = ( 0.0000000 0.0000000 0.5275309), wk = 0.0034483 k( 30) = ( 0.0000000 0.0000000 0.5463712), wk = 0.0034483 k( 31) = ( 0.0000000 0.0000000 0.5652116), wk = 0.0034483 k( 32) = ( 0.0000000 0.0000000 0.5840520), wk = 0.0034483 k( 33) = ( 0.0000000 0.0000000 0.6028924), wk = 0.0034483 k( 34) = ( 0.0000000 0.0000000 0.6217328), wk = 0.0034483 k( 35) = ( 0.0000000 0.0000000 0.6405732), wk = 0.0034483 k( 36) = ( 0.0000000 0.0000000 0.6594136), wk = 0.0034483 k( 37) = ( 0.0000000 0.0000000 0.6782540), wk = 0.0034483 k( 38) = ( 0.0000000 0.0000000 0.6970944), wk = 0.0034483 k( 39) = ( 0.0000000 0.0000000 0.6970944), wk = 0.0034483 k( 40) = ( -0.0132449 0.0128670 0.6970944), wk = 0.0034483 k( 41) = ( -0.0264897 0.0257341 0.6970944), wk = 0.0034483 k( 42) = ( -0.0397346 0.0386011 0.6970944), wk = 0.0034483 k( 43) = ( -0.0529794 0.0514682 0.6970944), wk = 0.0034483 k( 44) = ( -0.0662243 0.0643352 0.6970944), wk = 0.0034483 k( 45) = ( -0.0794692 0.0772023 0.6970944), wk = 0.0034483 k( 46) = ( -0.0927140 0.0900693 0.6970944), wk = 0.0034483 k( 47) = ( -0.1059589 0.1029363 0.6970944), wk = 0.0034483 k( 48) = ( -0.1192038 0.1158034 0.6970944), wk = 0.0034483 k( 49) = ( -0.1324486 0.1286704 0.6970944), wk = 0.0034483 k( 50) = ( -0.1456935 0.1415375 0.6970944), wk = 0.0034483 k( 51) = ( -0.1589384 0.1544045 0.6970944), wk = 0.0034483 k( 52) = ( -0.1721832 0.1672716 0.6970944), wk = 0.0034483 k( 53) = ( -0.1854281 0.1801386 0.6970944), wk = 0.0034483 k( 54) = ( -0.1986729 0.1930056 0.6970944), wk = 0.0034483 k( 55) = ( -0.2119178 0.2058727 0.6970944), wk = 0.0034483 k( 56) = ( -0.2251627 0.2187397 0.6970944), wk = 0.0034483 k( 57) = ( -0.2384075 0.2316068 0.6970944), wk = 0.0034483 k( 58) = ( -0.2516524 0.2444738 0.6970944), wk = 0.0034483 k( 59) = ( -0.2648972 0.2573408 0.6970944), wk = 0.0034483 k( 60) = ( -0.2648972 0.2573408 0.6970944), wk = 0.0034483 k( 61) = ( -0.2739397 0.2661253 0.6844875), wk = 0.0034483 k( 62) = ( -0.2829821 0.2749098 0.6718807), wk = 0.0034483 k( 63) = ( -0.2920245 0.2836943 0.6592739), wk = 0.0034483 k( 64) = ( -0.3010669 0.2924787 0.6466670), wk = 0.0034483 k( 65) = ( -0.3101093 0.3012632 0.6340602), wk = 0.0034483 k( 66) = ( -0.3191517 0.3100477 0.6214534), wk = 0.0034483 k( 67) = ( -0.3281942 0.3188322 0.6088465), wk = 0.0034483 k( 68) = ( -0.3372366 0.3276166 0.5962397), wk = 0.0034483 k( 69) = ( -0.3462790 0.3364011 0.5836329), wk = 0.0034483 k( 70) = ( -0.3553214 0.3451856 0.5710261), wk = 0.0034483 k( 71) = ( -0.3643638 0.3539700 0.5584192), wk = 0.0034483 k( 72) = ( -0.3734062 0.3627545 0.5458124), wk = 0.0034483 k( 73) = ( -0.3824486 0.3715390 0.5332056), wk = 0.0034483 k( 74) = ( -0.3824486 0.3715390 0.5332056), wk = 0.0034483 k( 75) = ( -0.3728874 0.3622505 0.5198754), wk = 0.0034483 k( 76) = ( -0.3633262 0.3529620 0.5065453), wk = 0.0034483 k( 77) = ( -0.3537650 0.3436736 0.4932151), wk = 0.0034483 k( 78) = ( -0.3442038 0.3343851 0.4798850), wk = 0.0034483 k( 79) = ( -0.3346425 0.3250966 0.4665549), wk = 0.0034483 k( 80) = ( -0.3250813 0.3158081 0.4532247), wk = 0.0034483 k( 81) = ( -0.3155201 0.3065197 0.4398946), wk = 0.0034483 k( 82) = ( -0.3059589 0.2972312 0.4265644), wk = 0.0034483 k( 83) = ( -0.2963977 0.2879427 0.4132343), wk = 0.0034483 k( 84) = ( -0.2868365 0.2786542 0.3999042), wk = 0.0034483 k( 85) = ( -0.2772752 0.2693658 0.3865740), wk = 0.0034483 k( 86) = ( -0.2677140 0.2600773 0.3732439), wk = 0.0034483 k( 87) = ( -0.2581528 0.2507888 0.3599137), wk = 0.0034483 k( 88) = ( -0.2485916 0.2415003 0.3465836), wk = 0.0034483 k( 89) = ( -0.2390304 0.2322119 0.3332535), wk = 0.0034483 k( 90) = ( -0.2294692 0.2229234 0.3199233), wk = 0.0034483 k( 91) = ( -0.2199080 0.2136349 0.3065932), wk = 0.0034483 k( 92) = ( -0.2103467 0.2043464 0.2932631), wk = 0.0034483 k( 93) = ( -0.2007855 0.1950580 0.2799329), wk = 0.0034483 k( 94) = ( -0.1912243 0.1857695 0.2666028), wk = 0.0034483 k( 95) = ( -0.1816631 0.1764810 0.2532726), wk = 0.0034483 k( 96) = ( -0.1721019 0.1671925 0.2399425), wk = 0.0034483 k( 97) = ( -0.1625407 0.1579041 0.2266124), wk = 0.0034483 k( 98) = ( -0.1529794 0.1486156 0.2132822), wk = 0.0034483 k( 99) = ( -0.1434182 0.1393271 0.1999521), wk = 0.0034483 k( 100) = ( -0.1338570 0.1300386 0.1866219), wk = 0.0034483 k( 101) = ( -0.1242958 0.1207502 0.1732918), wk = 0.0034483 k( 102) = ( -0.1147346 0.1114617 0.1599617), wk = 0.0034483 k( 103) = ( -0.1051734 0.1021732 0.1466315), wk = 0.0034483 k( 104) = ( -0.0956122 0.0928847 0.1333014), wk = 0.0034483 k( 105) = ( -0.0860509 0.0835963 0.1199712), wk = 0.0034483 k( 106) = ( -0.0764897 0.0743078 0.1066411), wk = 0.0034483 k( 107) = ( -0.0669285 0.0650193 0.0933110), wk = 0.0034483 k( 108) = ( -0.0573673 0.0557308 0.0799808), wk = 0.0034483 k( 109) = ( -0.0478061 0.0464424 0.0666507), wk = 0.0034483 k( 110) = ( -0.0382449 0.0371539 0.0533206), wk = 0.0034483 k( 111) = ( -0.0286837 0.0278654 0.0399904), wk = 0.0034483 k( 112) = ( -0.0191224 0.0185769 0.0266603), wk = 0.0034483 k( 113) = ( -0.0095612 0.0092885 0.0133301), wk = 0.0034483 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 116) = ( 0.0128205 0.0131970 -0.0000000), wk = 0.0034483 k( 117) = ( 0.0256410 0.0263939 -0.0000000), wk = 0.0034483 k( 118) = ( 0.0384615 0.0395909 -0.0000000), wk = 0.0034483 k( 119) = ( 0.0512821 0.0527879 -0.0000000), wk = 0.0034483 k( 120) = ( 0.0641026 0.0659848 -0.0000000), wk = 0.0034483 k( 121) = ( 0.0769231 0.0791818 -0.0000000), wk = 0.0034483 k( 122) = ( 0.0897436 0.0923788 -0.0000000), wk = 0.0034483 k( 123) = ( 0.1025641 0.1055757 -0.0000000), wk = 0.0034483 k( 124) = ( 0.1153846 0.1187727 -0.0000000), wk = 0.0034483 k( 125) = ( 0.1282051 0.1319697 -0.0000000), wk = 0.0034483 k( 126) = ( 0.1410256 0.1451666 -0.0000000), wk = 0.0034483 k( 127) = ( 0.1538461 0.1583636 -0.0000000), wk = 0.0034483 k( 128) = ( 0.1666667 0.1715606 -0.0000000), wk = 0.0034483 k( 129) = ( 0.1794872 0.1847575 -0.0000000), wk = 0.0034483 k( 130) = ( 0.1923077 0.1979545 -0.0000000), wk = 0.0034483 k( 131) = ( 0.2051282 0.2111515 -0.0000000), wk = 0.0034483 k( 132) = ( 0.2179487 0.2243484 -0.0000000), wk = 0.0034483 k( 133) = ( 0.2307692 0.2375454 -0.0000000), wk = 0.0034483 k( 134) = ( 0.2435897 0.2507424 -0.0000000), wk = 0.0034483 k( 135) = ( 0.2564103 0.2639393 -0.0000000), wk = 0.0034483 k( 136) = ( 0.2692308 0.2771363 -0.0000000), wk = 0.0034483 k( 137) = ( 0.2820513 0.2903333 -0.0000000), wk = 0.0034483 k( 138) = ( 0.2948718 0.3035302 -0.0000000), wk = 0.0034483 k( 139) = ( 0.3076923 0.3167272 -0.0000000), wk = 0.0034483 k( 140) = ( 0.3205128 0.3299242 -0.0000000), wk = 0.0034483 k( 141) = ( 0.3333333 0.3431211 -0.0000000), wk = 0.0034483 k( 142) = ( 0.3461538 0.3563181 -0.0000000), wk = 0.0034483 k( 143) = ( 0.3589744 0.3695151 -0.0000000), wk = 0.0034483 k( 144) = ( 0.3717949 0.3827120 -0.0000000), wk = 0.0034483 k( 145) = ( 0.3846154 0.3959090 -0.0000000), wk = 0.0034483 k( 146) = ( 0.3974359 0.4091060 -0.0000000), wk = 0.0034483 k( 147) = ( 0.4102564 0.4223029 -0.0000000), wk = 0.0034483 k( 148) = ( 0.4230769 0.4354999 -0.0000000), wk = 0.0034483 k( 149) = ( 0.4358974 0.4486969 -0.0000000), wk = 0.0034483 k( 150) = ( 0.4487179 0.4618938 -0.0000000), wk = 0.0034483 k( 151) = ( 0.4615385 0.4750908 -0.0000000), wk = 0.0034483 k( 152) = ( 0.4743590 0.4882878 -0.0000000), wk = 0.0034483 k( 153) = ( 0.4871795 0.5014847 -0.0000000), wk = 0.0034483 k( 154) = ( 0.5000000 0.5146817 -0.0000000), wk = 0.0034483 k( 155) = ( 0.5000000 0.5146817 -0.0000000), wk = 0.0034483 k( 156) = ( 0.4909576 0.5234662 0.0126068), wk = 0.0034483 k( 157) = ( 0.4819152 0.5322506 0.0252137), wk = 0.0034483 k( 158) = ( 0.4728728 0.5410351 0.0378205), wk = 0.0034483 k( 159) = ( 0.4638304 0.5498196 0.0504273), wk = 0.0034483 k( 160) = ( 0.4547879 0.5586041 0.0630342), wk = 0.0034483 k( 161) = ( 0.4457455 0.5673885 0.0756410), wk = 0.0034483 k( 162) = ( 0.4367031 0.5761730 0.0882478), wk = 0.0034483 k( 163) = ( 0.4276607 0.5849575 0.1008546), wk = 0.0034483 k( 164) = ( 0.4186183 0.5937419 0.1134615), wk = 0.0034483 k( 165) = ( 0.4095759 0.6025264 0.1260683), wk = 0.0034483 k( 166) = ( 0.4005335 0.6113109 0.1386751), wk = 0.0034483 k( 167) = ( 0.3914910 0.6200954 0.1512820), wk = 0.0034483 k( 168) = ( 0.3824486 0.6288798 0.1638888), wk = 0.0034483 k( 169) = ( 0.3824486 0.6288798 0.1638888), wk = 0.0034483 k( 170) = ( 0.3665133 0.6235186 0.1715829), wk = 0.0034483 k( 171) = ( 0.3505779 0.6181573 0.1792770), wk = 0.0034483 k( 172) = ( 0.3346425 0.6127960 0.1869711), wk = 0.0034483 k( 173) = ( 0.3187072 0.6074348 0.1946652), wk = 0.0034483 k( 174) = ( 0.3027718 0.6020735 0.2023593), wk = 0.0034483 k( 175) = ( 0.2868365 0.5967122 0.2100534), wk = 0.0034483 k( 176) = ( 0.2709011 0.5913510 0.2177475), wk = 0.0034483 k( 177) = ( 0.2549657 0.5859897 0.2254416), wk = 0.0034483 k( 178) = ( 0.2390304 0.5806284 0.2331357), wk = 0.0034483 k( 179) = ( 0.2230950 0.5752671 0.2408298), wk = 0.0034483 k( 180) = ( 0.2071597 0.5699059 0.2485239), wk = 0.0034483 k( 181) = ( 0.1912243 0.5645446 0.2562180), wk = 0.0034483 k( 182) = ( 0.1752889 0.5591833 0.2639121), wk = 0.0034483 k( 183) = ( 0.1593536 0.5538221 0.2716062), wk = 0.0034483 k( 184) = ( 0.1434182 0.5484608 0.2793003), wk = 0.0034483 k( 185) = ( 0.1274829 0.5430995 0.2869944), wk = 0.0034483 k( 186) = ( 0.1115475 0.5377383 0.2946885), wk = 0.0034483 k( 187) = ( 0.0956122 0.5323770 0.3023826), wk = 0.0034483 k( 188) = ( 0.0796768 0.5270157 0.3100767), wk = 0.0034483 k( 189) = ( 0.0637414 0.5216545 0.3177708), wk = 0.0034483 k( 190) = ( 0.0478061 0.5162932 0.3254649), wk = 0.0034483 k( 191) = ( 0.0318707 0.5109319 0.3331590), wk = 0.0034483 k( 192) = ( 0.0159354 0.5055707 0.3408531), wk = 0.0034483 k( 193) = ( 0.0000000 0.5002094 0.3485472), wk = 0.0034483 k( 194) = ( 0.0000000 0.5002094 0.3485472), wk = 0.0034483 k( 195) = ( 0.0092593 0.4912143 0.3614563), wk = 0.0034483 k( 196) = ( 0.0185185 0.4822191 0.3743655), wk = 0.0034483 k( 197) = ( 0.0277778 0.4732240 0.3872746), wk = 0.0034483 k( 198) = ( 0.0370370 0.4642289 0.4001838), wk = 0.0034483 k( 199) = ( 0.0462963 0.4552337 0.4130930), wk = 0.0034483 k( 200) = ( 0.0555556 0.4462386 0.4260021), wk = 0.0034483 k( 201) = ( 0.0648148 0.4372435 0.4389113), wk = 0.0034483 k( 202) = ( 0.0740741 0.4282484 0.4518204), wk = 0.0034483 k( 203) = ( 0.0833333 0.4192532 0.4647296), wk = 0.0034483 k( 204) = ( 0.0925926 0.4102581 0.4776387), wk = 0.0034483 k( 205) = ( 0.1018518 0.4012630 0.4905479), wk = 0.0034483 k( 206) = ( 0.1111111 0.3922678 0.5034570), wk = 0.0034483 k( 207) = ( 0.1203704 0.3832727 0.5163662), wk = 0.0034483 k( 208) = ( 0.1296296 0.3742776 0.5292753), wk = 0.0034483 k( 209) = ( 0.1388889 0.3652824 0.5421845), wk = 0.0034483 k( 210) = ( 0.1481482 0.3562873 0.5550937), wk = 0.0034483 k( 211) = ( 0.1574074 0.3472922 0.5680028), wk = 0.0034483 k( 212) = ( 0.1666667 0.3382970 0.5809120), wk = 0.0034483 k( 213) = ( 0.1759259 0.3293019 0.5938211), wk = 0.0034483 k( 214) = ( 0.1851852 0.3203068 0.6067303), wk = 0.0034483 k( 215) = ( 0.1944444 0.3113116 0.6196394), wk = 0.0034483 k( 216) = ( 0.2037037 0.3023165 0.6325486), wk = 0.0034483 k( 217) = ( 0.2129630 0.2933214 0.6454577), wk = 0.0034483 k( 218) = ( 0.2222222 0.2843262 0.6583669), wk = 0.0034483 k( 219) = ( 0.2314815 0.2753311 0.6712760), wk = 0.0034483 k( 220) = ( 0.2407407 0.2663360 0.6841852), wk = 0.0034483 k( 221) = ( 0.2500000 0.2573409 0.6970944), wk = 0.0034483 k( 222) = ( 0.2500000 0.2573409 0.6970944), wk = 0.0034483 k( 223) = ( 0.2589286 0.2665316 0.6839045), wk = 0.0034483 k( 224) = ( 0.2678571 0.2757223 0.6707146), wk = 0.0034483 k( 225) = ( 0.2767857 0.2849131 0.6575247), wk = 0.0034483 k( 226) = ( 0.2857143 0.2941038 0.6443348), wk = 0.0034483 k( 227) = ( 0.2946429 0.3032946 0.6311449), wk = 0.0034483 k( 228) = ( 0.3035714 0.3124853 0.6179550), wk = 0.0034483 k( 229) = ( 0.3125000 0.3216761 0.6047652), wk = 0.0034483 k( 230) = ( 0.3214286 0.3308668 0.5915753), wk = 0.0034483 k( 231) = ( 0.3303571 0.3400576 0.5783854), wk = 0.0034483 k( 232) = ( 0.3392857 0.3492483 0.5651955), wk = 0.0034483 k( 233) = ( 0.3482143 0.3584390 0.5520056), wk = 0.0034483 k( 234) = ( 0.3571429 0.3676298 0.5388157), wk = 0.0034483 k( 235) = ( 0.3660714 0.3768205 0.5256259), wk = 0.0034483 k( 236) = ( 0.3750000 0.3860113 0.5124360), wk = 0.0034483 k( 237) = ( 0.3839286 0.3952020 0.4992461), wk = 0.0034483 k( 238) = ( 0.3928571 0.4043928 0.4860562), wk = 0.0034483 k( 239) = ( 0.4017857 0.4135835 0.4728663), wk = 0.0034483 k( 240) = ( 0.4107143 0.4227743 0.4596764), wk = 0.0034483 k( 241) = ( 0.4196429 0.4319650 0.4464865), wk = 0.0034483 k( 242) = ( 0.4285714 0.4411557 0.4332967), wk = 0.0034483 k( 243) = ( 0.4375000 0.4503465 0.4201068), wk = 0.0034483 k( 244) = ( 0.4464286 0.4595372 0.4069169), wk = 0.0034483 k( 245) = ( 0.4553571 0.4687280 0.3937270), wk = 0.0034483 k( 246) = ( 0.4642857 0.4779187 0.3805371), wk = 0.0034483 k( 247) = ( 0.4732143 0.4871095 0.3673473), wk = 0.0034483 k( 248) = ( 0.4821429 0.4963002 0.3541574), wk = 0.0034483 k( 249) = ( 0.4910714 0.5054910 0.3409675), wk = 0.0034483 k( 250) = ( 0.5000000 0.5146817 0.3277776), wk = 0.0034483 k( 251) = ( 0.5000000 0.5146817 0.3277776), wk = 0.0034483 k( 252) = ( 0.5000000 0.5146817 0.3095677), wk = 0.0034483 k( 253) = ( 0.5000000 0.5146817 0.2913579), wk = 0.0034483 k( 254) = ( 0.5000000 0.5146817 0.2731480), wk = 0.0034483 k( 255) = ( 0.5000000 0.5146817 0.2549381), wk = 0.0034483 k( 256) = ( 0.5000000 0.5146817 0.2367283), wk = 0.0034483 k( 257) = ( 0.5000000 0.5146817 0.2185184), wk = 0.0034483 k( 258) = ( 0.5000000 0.5146817 0.2003085), wk = 0.0034483 k( 259) = ( 0.5000000 0.5146817 0.1820987), wk = 0.0034483 k( 260) = ( 0.5000000 0.5146817 0.1638888), wk = 0.0034483 k( 261) = ( 0.5000000 0.5146817 0.1456789), wk = 0.0034483 k( 262) = ( 0.5000000 0.5146817 0.1274691), wk = 0.0034483 k( 263) = ( 0.5000000 0.5146817 0.1092592), wk = 0.0034483 k( 264) = ( 0.5000000 0.5146817 0.0910493), wk = 0.0034483 k( 265) = ( 0.5000000 0.5146817 0.0728395), wk = 0.0034483 k( 266) = ( 0.5000000 0.5146817 0.0546296), wk = 0.0034483 k( 267) = ( 0.5000000 0.5146817 0.0364197), wk = 0.0034483 k( 268) = ( 0.5000000 0.5146817 0.0182099), wk = 0.0034483 k( 269) = ( 0.5000000 0.5146817 -0.0000000), wk = 0.0034483 k( 270) = ( 0.0000000 0.0000000 0.6970944), wk = 0.0034483 k( 271) = ( 0.0125000 0.0128670 0.6970944), wk = 0.0034483 k( 272) = ( 0.0250000 0.0257341 0.6970944), wk = 0.0034483 k( 273) = ( 0.0375000 0.0386011 0.6970944), wk = 0.0034483 k( 274) = ( 0.0500000 0.0514682 0.6970944), wk = 0.0034483 k( 275) = ( 0.0625000 0.0643352 0.6970944), wk = 0.0034483 k( 276) = ( 0.0750000 0.0772023 0.6970944), wk = 0.0034483 k( 277) = ( 0.0875000 0.0900693 0.6970944), wk = 0.0034483 k( 278) = ( 0.1000000 0.1029363 0.6970944), wk = 0.0034483 k( 279) = ( 0.1125000 0.1158034 0.6970944), wk = 0.0034483 k( 280) = ( 0.1250000 0.1286704 0.6970944), wk = 0.0034483 k( 281) = ( 0.1375000 0.1415375 0.6970944), wk = 0.0034483 k( 282) = ( 0.1500000 0.1544045 0.6970944), wk = 0.0034483 k( 283) = ( 0.1625000 0.1672716 0.6970944), wk = 0.0034483 k( 284) = ( 0.1750000 0.1801386 0.6970944), wk = 0.0034483 k( 285) = ( 0.1875000 0.1930056 0.6970944), wk = 0.0034483 k( 286) = ( 0.2000000 0.2058727 0.6970944), wk = 0.0034483 k( 287) = ( 0.2125000 0.2187397 0.6970944), wk = 0.0034483 k( 288) = ( 0.2250000 0.2316068 0.6970944), wk = 0.0034483 k( 289) = ( 0.2375000 0.2444738 0.6970944), wk = 0.0034483 k( 290) = ( 0.2500000 0.2573409 0.6970944), wk = 0.0034483 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0034483 k( 3) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0034483 k( 4) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0034483 k( 5) = ( 0.0000000 0.0000000 0.0540541), wk = 0.0034483 k( 6) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0034483 k( 7) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0034483 k( 8) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0034483 k( 9) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0034483 k( 10) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0034483 k( 11) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0034483 k( 12) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0034483 k( 13) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0034483 k( 14) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0034483 k( 15) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0034483 k( 16) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0034483 k( 17) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0034483 k( 18) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0034483 k( 19) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0034483 k( 20) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0034483 k( 21) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0034483 k( 22) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0034483 k( 23) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0034483 k( 24) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0034483 k( 25) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0034483 k( 26) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0034483 k( 27) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0034483 k( 28) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0034483 k( 29) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0034483 k( 30) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0034483 k( 31) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0034483 k( 32) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0034483 k( 33) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0034483 k( 34) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0034483 k( 35) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0034483 k( 36) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0034483 k( 37) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0034483 k( 38) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 39) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 40) = ( -0.0132449 0.0132449 0.5000000), wk = 0.0034483 k( 41) = ( -0.0264897 0.0264897 0.5000000), wk = 0.0034483 k( 42) = ( -0.0397346 0.0397346 0.5000000), wk = 0.0034483 k( 43) = ( -0.0529794 0.0529794 0.5000000), wk = 0.0034483 k( 44) = ( -0.0662243 0.0662243 0.5000000), wk = 0.0034483 k( 45) = ( -0.0794692 0.0794692 0.5000000), wk = 0.0034483 k( 46) = ( -0.0927140 0.0927140 0.5000000), wk = 0.0034483 k( 47) = ( -0.1059589 0.1059589 0.5000000), wk = 0.0034483 k( 48) = ( -0.1192038 0.1192038 0.5000000), wk = 0.0034483 k( 49) = ( -0.1324486 0.1324486 0.5000000), wk = 0.0034483 k( 50) = ( -0.1456935 0.1456935 0.5000000), wk = 0.0034483 k( 51) = ( -0.1589384 0.1589383 0.5000000), wk = 0.0034483 k( 52) = ( -0.1721832 0.1721832 0.5000000), wk = 0.0034483 k( 53) = ( -0.1854281 0.1854281 0.5000000), wk = 0.0034483 k( 54) = ( -0.1986729 0.1986729 0.5000000), wk = 0.0034483 k( 55) = ( -0.2119178 0.2119178 0.5000000), wk = 0.0034483 k( 56) = ( -0.2251627 0.2251627 0.5000000), wk = 0.0034483 k( 57) = ( -0.2384075 0.2384075 0.5000000), wk = 0.0034483 k( 58) = ( -0.2516524 0.2516524 0.5000000), wk = 0.0034483 k( 59) = ( -0.2648972 0.2648972 0.5000000), wk = 0.0034483 k( 60) = ( -0.2648972 0.2648972 0.5000000), wk = 0.0034483 k( 61) = ( -0.2739397 0.2739397 0.4909576), wk = 0.0034483 k( 62) = ( -0.2829821 0.2829821 0.4819152), wk = 0.0034483 k( 63) = ( -0.2920245 0.2920245 0.4728728), wk = 0.0034483 k( 64) = ( -0.3010669 0.3010669 0.4638304), wk = 0.0034483 k( 65) = ( -0.3101093 0.3101093 0.4547879), wk = 0.0034483 k( 66) = ( -0.3191517 0.3191517 0.4457455), wk = 0.0034483 k( 67) = ( -0.3281942 0.3281942 0.4367031), wk = 0.0034483 k( 68) = ( -0.3372366 0.3372366 0.4276607), wk = 0.0034483 k( 69) = ( -0.3462790 0.3462790 0.4186183), wk = 0.0034483 k( 70) = ( -0.3553214 0.3553214 0.4095759), wk = 0.0034483 k( 71) = ( -0.3643638 0.3643638 0.4005335), wk = 0.0034483 k( 72) = ( -0.3734062 0.3734062 0.3914910), wk = 0.0034483 k( 73) = ( -0.3824486 0.3824486 0.3824486), wk = 0.0034483 k( 74) = ( -0.3824486 0.3824486 0.3824486), wk = 0.0034483 k( 75) = ( -0.3728874 0.3728874 0.3728874), wk = 0.0034483 k( 76) = ( -0.3633262 0.3633262 0.3633262), wk = 0.0034483 k( 77) = ( -0.3537650 0.3537650 0.3537650), wk = 0.0034483 k( 78) = ( -0.3442038 0.3442038 0.3442038), wk = 0.0034483 k( 79) = ( -0.3346425 0.3346425 0.3346425), wk = 0.0034483 k( 80) = ( -0.3250813 0.3250813 0.3250813), wk = 0.0034483 k( 81) = ( -0.3155201 0.3155201 0.3155201), wk = 0.0034483 k( 82) = ( -0.3059589 0.3059589 0.3059589), wk = 0.0034483 k( 83) = ( -0.2963977 0.2963977 0.2963977), wk = 0.0034483 k( 84) = ( -0.2868365 0.2868365 0.2868365), wk = 0.0034483 k( 85) = ( -0.2772752 0.2772752 0.2772752), wk = 0.0034483 k( 86) = ( -0.2677140 0.2677140 0.2677140), wk = 0.0034483 k( 87) = ( -0.2581528 0.2581528 0.2581528), wk = 0.0034483 k( 88) = ( -0.2485916 0.2485916 0.2485916), wk = 0.0034483 k( 89) = ( -0.2390304 0.2390304 0.2390304), wk = 0.0034483 k( 90) = ( -0.2294692 0.2294692 0.2294692), wk = 0.0034483 k( 91) = ( -0.2199080 0.2199080 0.2199080), wk = 0.0034483 k( 92) = ( -0.2103467 0.2103467 0.2103468), wk = 0.0034483 k( 93) = ( -0.2007855 0.2007855 0.2007855), wk = 0.0034483 k( 94) = ( -0.1912243 0.1912243 0.1912243), wk = 0.0034483 k( 95) = ( -0.1816631 0.1816631 0.1816631), wk = 0.0034483 k( 96) = ( -0.1721019 0.1721019 0.1721019), wk = 0.0034483 k( 97) = ( -0.1625407 0.1625407 0.1625407), wk = 0.0034483 k( 98) = ( -0.1529794 0.1529794 0.1529794), wk = 0.0034483 k( 99) = ( -0.1434182 0.1434182 0.1434182), wk = 0.0034483 k( 100) = ( -0.1338570 0.1338570 0.1338570), wk = 0.0034483 k( 101) = ( -0.1242958 0.1242958 0.1242958), wk = 0.0034483 k( 102) = ( -0.1147346 0.1147346 0.1147346), wk = 0.0034483 k( 103) = ( -0.1051734 0.1051734 0.1051734), wk = 0.0034483 k( 104) = ( -0.0956122 0.0956122 0.0956122), wk = 0.0034483 k( 105) = ( -0.0860509 0.0860509 0.0860509), wk = 0.0034483 k( 106) = ( -0.0764897 0.0764897 0.0764897), wk = 0.0034483 k( 107) = ( -0.0669285 0.0669285 0.0669285), wk = 0.0034483 k( 108) = ( -0.0573673 0.0573673 0.0573673), wk = 0.0034483 k( 109) = ( -0.0478061 0.0478061 0.0478061), wk = 0.0034483 k( 110) = ( -0.0382449 0.0382449 0.0382449), wk = 0.0034483 k( 111) = ( -0.0286837 0.0286836 0.0286837), wk = 0.0034483 k( 112) = ( -0.0191224 0.0191224 0.0191224), wk = 0.0034483 k( 113) = ( -0.0095612 0.0095612 0.0095612), wk = 0.0034483 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 116) = ( 0.0128205 0.0128205 -0.0128205), wk = 0.0034483 k( 117) = ( 0.0256410 0.0256410 -0.0256410), wk = 0.0034483 k( 118) = ( 0.0384615 0.0384615 -0.0384615), wk = 0.0034483 k( 119) = ( 0.0512821 0.0512821 -0.0512821), wk = 0.0034483 k( 120) = ( 0.0641026 0.0641026 -0.0641026), wk = 0.0034483 k( 121) = ( 0.0769231 0.0769231 -0.0769231), wk = 0.0034483 k( 122) = ( 0.0897436 0.0897436 -0.0897436), wk = 0.0034483 k( 123) = ( 0.1025641 0.1025641 -0.1025641), wk = 0.0034483 k( 124) = ( 0.1153846 0.1153846 -0.1153846), wk = 0.0034483 k( 125) = ( 0.1282051 0.1282051 -0.1282051), wk = 0.0034483 k( 126) = ( 0.1410256 0.1410256 -0.1410256), wk = 0.0034483 k( 127) = ( 0.1538461 0.1538461 -0.1538462), wk = 0.0034483 k( 128) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0034483 k( 129) = ( 0.1794872 0.1794872 -0.1794872), wk = 0.0034483 k( 130) = ( 0.1923077 0.1923077 -0.1923077), wk = 0.0034483 k( 131) = ( 0.2051282 0.2051282 -0.2051282), wk = 0.0034483 k( 132) = ( 0.2179487 0.2179487 -0.2179487), wk = 0.0034483 k( 133) = ( 0.2307692 0.2307692 -0.2307692), wk = 0.0034483 k( 134) = ( 0.2435897 0.2435897 -0.2435897), wk = 0.0034483 k( 135) = ( 0.2564103 0.2564103 -0.2564103), wk = 0.0034483 k( 136) = ( 0.2692308 0.2692308 -0.2692308), wk = 0.0034483 k( 137) = ( 0.2820513 0.2820513 -0.2820513), wk = 0.0034483 k( 138) = ( 0.2948718 0.2948718 -0.2948718), wk = 0.0034483 k( 139) = ( 0.3076923 0.3076923 -0.3076923), wk = 0.0034483 k( 140) = ( 0.3205128 0.3205128 -0.3205128), wk = 0.0034483 k( 141) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0034483 k( 142) = ( 0.3461538 0.3461538 -0.3461539), wk = 0.0034483 k( 143) = ( 0.3589744 0.3589744 -0.3589744), wk = 0.0034483 k( 144) = ( 0.3717949 0.3717949 -0.3717949), wk = 0.0034483 k( 145) = ( 0.3846154 0.3846154 -0.3846154), wk = 0.0034483 k( 146) = ( 0.3974359 0.3974359 -0.3974359), wk = 0.0034483 k( 147) = ( 0.4102564 0.4102564 -0.4102564), wk = 0.0034483 k( 148) = ( 0.4230769 0.4230769 -0.4230769), wk = 0.0034483 k( 149) = ( 0.4358974 0.4358974 -0.4358974), wk = 0.0034483 k( 150) = ( 0.4487179 0.4487179 -0.4487180), wk = 0.0034483 k( 151) = ( 0.4615385 0.4615385 -0.4615385), wk = 0.0034483 k( 152) = ( 0.4743590 0.4743590 -0.4743590), wk = 0.0034483 k( 153) = ( 0.4871795 0.4871795 -0.4871795), wk = 0.0034483 k( 154) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034483 k( 155) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034483 k( 156) = ( 0.4909576 0.5090424 -0.4909576), wk = 0.0034483 k( 157) = ( 0.4819152 0.5180848 -0.4819152), wk = 0.0034483 k( 158) = ( 0.4728728 0.5271272 -0.4728728), wk = 0.0034483 k( 159) = ( 0.4638304 0.5361697 -0.4638304), wk = 0.0034483 k( 160) = ( 0.4547879 0.5452121 -0.4547879), wk = 0.0034483 k( 161) = ( 0.4457455 0.5542545 -0.4457455), wk = 0.0034483 k( 162) = ( 0.4367031 0.5632969 -0.4367031), wk = 0.0034483 k( 163) = ( 0.4276607 0.5723393 -0.4276607), wk = 0.0034483 k( 164) = ( 0.4186183 0.5813817 -0.4186183), wk = 0.0034483 k( 165) = ( 0.4095759 0.5904241 -0.4095759), wk = 0.0034483 k( 166) = ( 0.4005335 0.5994665 -0.4005335), wk = 0.0034483 k( 167) = ( 0.3914910 0.6085090 -0.3914910), wk = 0.0034483 k( 168) = ( 0.3824486 0.6175514 -0.3824486), wk = 0.0034483 k( 169) = ( 0.3824486 0.6175514 -0.3824486), wk = 0.0034483 k( 170) = ( 0.3665133 0.6126534 -0.3665133), wk = 0.0034483 k( 171) = ( 0.3505779 0.6077554 -0.3505779), wk = 0.0034483 k( 172) = ( 0.3346425 0.6028574 -0.3346426), wk = 0.0034483 k( 173) = ( 0.3187072 0.5979595 -0.3187072), wk = 0.0034483 k( 174) = ( 0.3027718 0.5930615 -0.3027718), wk = 0.0034483 k( 175) = ( 0.2868365 0.5881635 -0.2868365), wk = 0.0034483 k( 176) = ( 0.2709011 0.5832656 -0.2709011), wk = 0.0034483 k( 177) = ( 0.2549657 0.5783676 -0.2549658), wk = 0.0034483 k( 178) = ( 0.2390304 0.5734696 -0.2390304), wk = 0.0034483 k( 179) = ( 0.2230950 0.5685716 -0.2230950), wk = 0.0034483 k( 180) = ( 0.2071597 0.5636737 -0.2071597), wk = 0.0034483 k( 181) = ( 0.1912243 0.5587757 -0.1912243), wk = 0.0034483 k( 182) = ( 0.1752889 0.5538777 -0.1752889), wk = 0.0034483 k( 183) = ( 0.1593536 0.5489797 -0.1593536), wk = 0.0034483 k( 184) = ( 0.1434182 0.5440818 -0.1434182), wk = 0.0034483 k( 185) = ( 0.1274829 0.5391838 -0.1274829), wk = 0.0034483 k( 186) = ( 0.1115475 0.5342858 -0.1115475), wk = 0.0034483 k( 187) = ( 0.0956122 0.5293878 -0.0956122), wk = 0.0034483 k( 188) = ( 0.0796768 0.5244899 -0.0796768), wk = 0.0034483 k( 189) = ( 0.0637414 0.5195919 -0.0637414), wk = 0.0034483 k( 190) = ( 0.0478061 0.5146939 -0.0478061), wk = 0.0034483 k( 191) = ( 0.0318707 0.5097959 -0.0318707), wk = 0.0034483 k( 192) = ( 0.0159354 0.5048980 -0.0159354), wk = 0.0034483 k( 193) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034483 k( 194) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034483 k( 195) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0034483 k( 196) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0034483 k( 197) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0034483 k( 198) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0034483 k( 199) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0034483 k( 200) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0034483 k( 201) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0034483 k( 202) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0034483 k( 203) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0034483 k( 204) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0034483 k( 205) = ( 0.1018518 0.3981481 0.1018518), wk = 0.0034483 k( 206) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0034483 k( 207) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0034483 k( 208) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0034483 k( 209) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0034483 k( 210) = ( 0.1481482 0.3518519 0.1481481), wk = 0.0034483 k( 211) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0034483 k( 212) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0034483 k( 213) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0034483 k( 214) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0034483 k( 215) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0034483 k( 216) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0034483 k( 217) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0034483 k( 218) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0034483 k( 219) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0034483 k( 220) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0034483 k( 221) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034483 k( 222) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034483 k( 223) = ( 0.2589286 0.2589286 0.2316108), wk = 0.0034483 k( 224) = ( 0.2678571 0.2678571 0.2132216), wk = 0.0034483 k( 225) = ( 0.2767857 0.2767857 0.1948324), wk = 0.0034483 k( 226) = ( 0.2857143 0.2857143 0.1764432), wk = 0.0034483 k( 227) = ( 0.2946429 0.2946429 0.1580541), wk = 0.0034483 k( 228) = ( 0.3035714 0.3035714 0.1396649), wk = 0.0034483 k( 229) = ( 0.3125000 0.3125000 0.1212757), wk = 0.0034483 k( 230) = ( 0.3214286 0.3214286 0.1028865), wk = 0.0034483 k( 231) = ( 0.3303571 0.3303571 0.0844973), wk = 0.0034483 k( 232) = ( 0.3392857 0.3392857 0.0661081), wk = 0.0034483 k( 233) = ( 0.3482143 0.3482143 0.0477189), wk = 0.0034483 k( 234) = ( 0.3571429 0.3571429 0.0293298), wk = 0.0034483 k( 235) = ( 0.3660714 0.3660714 0.0109406), wk = 0.0034483 k( 236) = ( 0.3750000 0.3750000 -0.0074486), wk = 0.0034483 k( 237) = ( 0.3839286 0.3839286 -0.0258378), wk = 0.0034483 k( 238) = ( 0.3928571 0.3928571 -0.0442270), wk = 0.0034483 k( 239) = ( 0.4017857 0.4017857 -0.0626162), wk = 0.0034483 k( 240) = ( 0.4107143 0.4107143 -0.0810054), wk = 0.0034483 k( 241) = ( 0.4196429 0.4196429 -0.0993946), wk = 0.0034483 k( 242) = ( 0.4285714 0.4285714 -0.1177838), wk = 0.0034483 k( 243) = ( 0.4375000 0.4375000 -0.1361729), wk = 0.0034483 k( 244) = ( 0.4464286 0.4464286 -0.1545621), wk = 0.0034483 k( 245) = ( 0.4553571 0.4553571 -0.1729513), wk = 0.0034483 k( 246) = ( 0.4642857 0.4642857 -0.1913405), wk = 0.0034483 k( 247) = ( 0.4732143 0.4732143 -0.2097297), wk = 0.0034483 k( 248) = ( 0.4821429 0.4821429 -0.2281189), wk = 0.0034483 k( 249) = ( 0.4910714 0.4910714 -0.2465081), wk = 0.0034483 k( 250) = ( 0.5000000 0.5000000 -0.2648973), wk = 0.0034483 k( 251) = ( 0.5000000 0.5000000 -0.2648973), wk = 0.0034483 k( 252) = ( 0.5000000 0.5000000 -0.2779585), wk = 0.0034483 k( 253) = ( 0.5000000 0.5000000 -0.2910198), wk = 0.0034483 k( 254) = ( 0.5000000 0.5000000 -0.3040811), wk = 0.0034483 k( 255) = ( 0.5000000 0.5000000 -0.3171423), wk = 0.0034483 k( 256) = ( 0.5000000 0.5000000 -0.3302036), wk = 0.0034483 k( 257) = ( 0.5000000 0.5000000 -0.3432648), wk = 0.0034483 k( 258) = ( 0.5000000 0.5000000 -0.3563261), wk = 0.0034483 k( 259) = ( 0.5000000 0.5000000 -0.3693874), wk = 0.0034483 k( 260) = ( 0.5000000 0.5000000 -0.3824486), wk = 0.0034483 k( 261) = ( 0.5000000 0.5000000 -0.3955099), wk = 0.0034483 k( 262) = ( 0.5000000 0.5000000 -0.4085712), wk = 0.0034483 k( 263) = ( 0.5000000 0.5000000 -0.4216324), wk = 0.0034483 k( 264) = ( 0.5000000 0.5000000 -0.4346937), wk = 0.0034483 k( 265) = ( 0.5000000 0.5000000 -0.4477550), wk = 0.0034483 k( 266) = ( 0.5000000 0.5000000 -0.4608162), wk = 0.0034483 k( 267) = ( 0.5000000 0.5000000 -0.4738775), wk = 0.0034483 k( 268) = ( 0.5000000 0.5000000 -0.4869387), wk = 0.0034483 k( 269) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034483 k( 270) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 271) = ( 0.0125000 0.0125000 0.4875000), wk = 0.0034483 k( 272) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0034483 k( 273) = ( 0.0375000 0.0375000 0.4625000), wk = 0.0034483 k( 274) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0034483 k( 275) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0034483 k( 276) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0034483 k( 277) = ( 0.0875000 0.0875000 0.4125000), wk = 0.0034483 k( 278) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0034483 k( 279) = ( 0.1125000 0.1125000 0.3875000), wk = 0.0034483 k( 280) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0034483 k( 281) = ( 0.1375000 0.1375000 0.3625000), wk = 0.0034483 k( 282) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0034483 k( 283) = ( 0.1625000 0.1625000 0.3375000), wk = 0.0034483 k( 284) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0034483 k( 285) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0034483 k( 286) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0034483 k( 287) = ( 0.2125000 0.2125000 0.2875000), wk = 0.0034483 k( 288) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0034483 k( 289) = ( 0.2375000 0.2375000 0.2625000), wk = 0.0034483 k( 290) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034483 Dense grid: 100825 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 43999 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 312, 68) NL pseudopotentials 0.36 Mb ( 156, 150) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2801) G-vector shells 0.01 Mb ( 1263) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.29 Mb ( 312, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.31 Mb ( 150, 2, 68) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./H12C5O4.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.7 secs Computing kpt #: 5 total cpu time spent up to now is 6.8 secs Computing kpt #: 6 total cpu time spent up to now is 7.8 secs Computing kpt #: 7 total cpu time spent up to now is 8.9 secs Computing kpt #: 8 total cpu time spent up to now is 10.0 secs Computing kpt #: 9 total cpu time spent up to now is 11.1 secs Computing kpt #: 10 total cpu time spent up to now is 12.2 secs Computing kpt #: 11 total cpu time spent up to now is 13.3 secs Computing kpt #: 12 total cpu time spent up to now is 14.3 secs Computing kpt #: 13 total cpu time spent up to now is 15.3 secs Computing kpt #: 14 total cpu time spent up to now is 16.3 secs Computing kpt #: 15 total cpu time spent up to now is 17.5 secs Computing kpt #: 16 total cpu time spent up to now is 18.5 secs Computing kpt #: 17 total cpu time spent up to now is 19.7 secs Computing kpt #: 18 total cpu time spent up to now is 20.8 secs Computing kpt #: 19 total cpu time spent up to now is 21.9 secs Computing kpt #: 20 total cpu time spent up to now is 23.0 secs Computing kpt #: 21 total cpu time spent up to now is 24.0 secs Computing kpt #: 22 total cpu time spent up to now is 25.0 secs Computing kpt #: 23 total cpu time spent up to now is 26.0 secs Computing kpt #: 24 total cpu time spent up to now is 27.0 secs Computing kpt #: 25 total cpu time spent up to now is 28.1 secs Computing kpt #: 26 total cpu time spent up to now is 29.2 secs Computing kpt #: 27 total cpu time spent up to now is 30.3 secs Computing kpt #: 28 total cpu time spent up to now is 31.5 secs Computing kpt #: 29 total cpu time spent up to now is 32.5 secs Computing kpt #: 30 total cpu time spent up to now is 33.7 secs Computing kpt #: 31 total cpu time spent up to now is 34.8 secs Computing kpt #: 32 total cpu time spent up to now is 36.0 secs Computing kpt #: 33 total cpu time spent up to now is 37.1 secs Computing kpt #: 34 total cpu time spent up to now is 38.1 secs Computing kpt #: 35 total cpu time spent up to now is 39.3 secs Computing kpt #: 36 total cpu time spent up to now is 40.3 secs Computing kpt #: 37 total cpu time spent up to now is 41.3 secs Computing kpt #: 38 total cpu time spent up to now is 42.4 secs Computing kpt #: 39 total cpu time spent up to now is 43.5 secs Computing kpt #: 40 total cpu time spent up to now is 44.6 secs Computing kpt #: 41 total cpu time spent up to now is 45.7 secs Computing kpt #: 42 total cpu time spent up to now is 46.8 secs Computing kpt #: 43 total cpu time spent up to now is 47.8 secs Computing kpt #: 44 total cpu time spent up to now is 48.9 secs Computing kpt #: 45 total cpu time spent up to now is 50.0 secs Computing kpt #: 46 total cpu time spent up to now is 51.0 secs Computing kpt #: 47 total cpu time spent up to now is 52.2 secs Computing kpt #: 48 total cpu time spent up to now is 53.1 secs Computing kpt #: 49 total cpu time spent up to now is 54.1 secs Computing kpt #: 50 total cpu time spent up to now is 55.3 secs Computing kpt #: 51 total cpu time spent up to now is 56.4 secs Computing kpt #: 52 total cpu time spent up to now is 57.5 secs Computing kpt #: 53 total cpu time spent up to now is 58.6 secs Computing kpt #: 54 total cpu time spent up to now is 59.7 secs Computing kpt #: 55 total cpu time spent up to now is 60.8 secs Computing kpt #: 56 total cpu time spent up to now is 61.9 secs Computing kpt #: 57 total cpu time spent up to now is 63.1 secs Computing kpt #: 58 total cpu time spent up to now is 64.2 secs Computing kpt #: 59 total cpu time spent up to now is 65.2 secs Computing kpt #: 60 total cpu time spent up to now is 66.2 secs Computing kpt #: 61 total cpu time spent up to now is 67.3 secs Computing kpt #: 62 total cpu time spent up to now is 68.2 secs Computing kpt #: 63 total cpu time spent up to now is 69.2 secs Computing kpt #: 64 total cpu time spent up to now is 70.3 secs Computing kpt #: 65 total cpu time spent up to now is 71.4 secs Computing kpt #: 66 total cpu time spent up to now is 72.8 secs Computing kpt #: 67 total cpu time spent up to now is 73.8 secs Computing kpt #: 68 total cpu time spent up to now is 75.0 secs Computing kpt #: 69 total cpu time spent up to now is 76.1 secs Computing kpt #: 70 total cpu time spent up to now is 77.2 secs Computing kpt #: 71 total cpu time spent up to now is 78.3 secs Computing kpt #: 72 total cpu time spent up to now is 79.4 secs Computing kpt #: 73 total cpu time spent up to now is 80.6 secs Computing kpt #: 74 total cpu time spent up to now is 81.7 secs Computing kpt #: 75 total cpu time spent up to now is 82.8 secs Computing kpt #: 76 total cpu time spent up to now is 83.9 secs Computing kpt #: 77 total cpu time spent up to now is 85.0 secs Computing kpt #: 78 total cpu time spent up to now is 86.1 secs Computing kpt #: 79 total cpu time spent up to now is 87.3 secs Computing kpt #: 80 total cpu time spent up to now is 88.3 secs Computing kpt #: 81 total cpu time spent up to now is 89.3 secs Computing kpt #: 82 total cpu time spent up to now is 90.4 secs Computing kpt #: 83 total cpu time spent up to now is 91.5 secs Computing kpt #: 84 total cpu time spent up to now is 92.6 secs Computing kpt #: 85 total cpu time spent up to now is 93.7 secs Computing kpt #: 86 total cpu time spent up to now is 94.9 secs Computing kpt #: 87 total cpu time spent up to now is 96.0 secs Computing kpt #: 88 total cpu time spent up to now is 97.1 secs Computing kpt #: 89 total cpu time spent up to now is 98.2 secs Computing kpt #: 90 total cpu time spent up to now is 99.4 secs Computing kpt #: 91 total cpu time spent up to now is 100.5 secs Computing kpt #: 92 total cpu time spent up to now is 101.6 secs Computing kpt #: 93 total cpu time spent up to now is 102.7 secs Computing kpt #: 94 total cpu time spent up to now is 103.8 secs Computing kpt #: 95 total cpu time spent up to now is 104.9 secs Computing kpt #: 96 total cpu time spent up to now is 106.0 secs Computing kpt #: 97 total cpu time spent up to now is 107.0 secs Computing kpt #: 98 total cpu time spent up to now is 108.7 secs Computing kpt #: 99 total cpu time spent up to now is 109.8 secs Computing kpt #: 100 total cpu time spent up to now is 110.9 secs Computing kpt #: 101 total cpu time spent up to now is 111.9 secs Computing kpt #: 102 total cpu time spent up to now is 113.0 secs Computing kpt #: 103 total cpu time spent up to now is 114.3 secs Computing kpt #: 104 total cpu time spent up to now is 115.5 secs Computing kpt #: 105 total cpu time spent up to now is 116.7 secs Computing kpt #: 106 total cpu time spent up to now is 117.8 secs Computing kpt #: 107 total cpu time spent up to now is 119.0 secs Computing kpt #: 108 total cpu time spent up to now is 120.2 secs Computing kpt #: 109 total cpu time spent up to now is 121.3 secs Computing kpt #: 110 total cpu time spent up to now is 122.3 secs Computing kpt #: 111 total cpu time spent up to now is 123.2 secs Computing kpt #: 112 total cpu time spent up to now is 124.2 secs Computing kpt #: 113 total cpu time spent up to now is 125.1 secs Computing kpt #: 114 total cpu time spent up to now is 126.2 secs Computing kpt #: 115 total cpu time spent up to now is 127.2 secs Computing kpt #: 116 total cpu time spent up to now is 128.2 secs Computing kpt #: 117 total cpu time spent up to now is 129.2 secs Computing kpt #: 118 total cpu time spent up to now is 130.2 secs Computing kpt #: 119 total cpu time spent up to now is 131.2 secs Computing kpt #: 120 total cpu time spent up to now is 132.2 secs Computing kpt #: 121 total cpu time spent up to now is 133.1 secs Computing kpt #: 122 total cpu time spent up to now is 134.1 secs Computing kpt #: 123 total cpu time spent up to now is 135.1 secs Computing kpt #: 124 total cpu time spent up to now is 136.0 secs Computing kpt #: 125 total cpu time spent up to now is 137.0 secs Computing kpt #: 126 total cpu time spent up to now is 138.2 secs Computing kpt #: 127 total cpu time spent up to now is 139.3 secs Computing kpt #: 128 total cpu time spent up to now is 140.3 secs Computing kpt #: 129 total cpu time spent up to now is 141.4 secs Computing kpt #: 130 total cpu time spent up to now is 143.6 secs Computing kpt #: 131 total cpu time spent up to now is 144.7 secs Computing kpt #: 132 total cpu time spent up to now is 145.8 secs Computing kpt #: 133 total cpu time spent up to now is 146.9 secs Computing kpt #: 134 total cpu time spent up to now is 148.0 secs Computing kpt #: 135 total cpu time spent up to now is 149.1 secs Computing kpt #: 136 total cpu time spent up to now is 150.2 secs Computing kpt #: 137 total cpu time spent up to now is 151.3 secs Computing kpt #: 138 total cpu time spent up to now is 152.3 secs Computing kpt #: 139 total cpu time 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to now is 169.9 secs Computing kpt #: 155 total cpu time spent up to now is 171.0 secs Computing kpt #: 156 total cpu time spent up to now is 172.1 secs Computing kpt #: 157 total cpu time spent up to now is 173.2 secs Computing kpt #: 158 total cpu time spent up to now is 174.3 secs Computing kpt #: 159 total cpu time spent up to now is 175.3 secs Computing kpt #: 160 total cpu time spent up to now is 176.4 secs Computing kpt #: 161 total cpu time spent up to now is 177.5 secs Computing kpt #: 162 total cpu time spent up to now is 178.6 secs Computing kpt #: 163 total cpu time spent up to now is 179.7 secs Computing kpt #: 164 total cpu time spent up to now is 180.8 secs Computing kpt #: 165 total cpu time spent up to now is 182.0 secs Computing kpt #: 166 total cpu time spent up to now is 183.1 secs Computing kpt #: 167 total cpu time spent up to now is 184.1 secs Computing kpt #: 168 total cpu time spent up to now is 185.2 secs Computing kpt #: 169 total cpu time spent up to now is 186.4 secs Computing kpt #: 170 total cpu time spent up to now is 187.5 secs Computing kpt #: 171 total cpu time spent up to now is 188.5 secs Computing kpt #: 172 total cpu time spent up to now is 189.6 secs Computing kpt #: 173 total cpu time spent up to now is 190.7 secs Computing kpt #: 174 total cpu time spent up to now is 191.8 secs Computing kpt #: 175 total cpu time spent up to now is 192.9 secs Computing kpt #: 176 total cpu time spent up to now is 194.0 secs Computing kpt #: 177 total cpu time spent up to now is 195.1 secs Computing kpt #: 178 total cpu time spent up to now is 196.2 secs Computing kpt #: 179 total cpu time spent up to now is 197.3 secs Computing kpt #: 180 total cpu time spent up to now is 198.3 secs Computing kpt #: 181 total cpu time spent up to now is 199.4 secs Computing kpt #: 182 total cpu time spent up to now is 200.5 secs Computing kpt #: 183 total cpu time spent up to now is 201.5 secs Computing kpt #: 184 total cpu time spent up to now is 202.6 secs Computing kpt #: 185 total cpu time spent up to now is 203.7 secs Computing kpt #: 186 total cpu time spent up to now is 204.8 secs Computing kpt #: 187 total cpu time spent up to now is 205.9 secs Computing kpt #: 188 total cpu time spent up to now is 207.0 secs Computing kpt #: 189 total cpu time spent up to now is 208.1 secs Computing kpt #: 190 total cpu time spent up to now is 209.3 secs Computing kpt #: 191 total cpu time spent up to now is 210.4 secs Computing kpt #: 192 total cpu time spent up to now is 211.6 secs Computing kpt #: 193 total cpu time spent up to now is 212.7 secs Computing kpt #: 194 total cpu time spent up to now is 213.9 secs Computing kpt #: 195 total cpu time spent up to now is 215.0 secs Computing kpt #: 196 total cpu time spent up to now is 216.2 secs Computing kpt #: 197 total cpu time spent up to now is 217.4 secs Computing kpt #: 198 total cpu time spent up to now is 218.5 secs Computing kpt #: 199 total cpu time spent up to now is 219.6 secs Computing kpt #: 200 total cpu time spent up to now is 220.7 secs Computing kpt #: 201 total cpu time spent up to now is 221.8 secs Computing kpt #: 202 total cpu time spent up to now is 222.9 secs Computing kpt #: 203 total cpu time spent up to now is 224.1 secs Computing kpt #: 204 total cpu time spent up to now is 225.2 secs Computing kpt #: 205 total cpu time spent up to now is 226.4 secs Computing kpt #: 206 total cpu time spent up to now is 227.5 secs Computing kpt #: 207 total cpu time spent up to now is 229.1 secs Computing kpt #: 208 total cpu time spent up to now is 230.4 secs Computing kpt #: 209 total cpu time spent up to now is 231.6 secs Computing kpt #: 210 total cpu time spent up to now is 232.9 secs Computing kpt #: 211 total cpu time spent up to now is 234.0 secs Computing kpt #: 212 total cpu time spent up to now is 235.2 secs Computing kpt #: 213 total cpu time spent up to now is 236.5 secs Computing kpt #: 214 total cpu time spent up to now is 237.7 secs Computing kpt #: 215 total cpu time spent up to now is 238.9 secs Computing kpt #: 216 total cpu time spent up to now is 240.1 secs Computing kpt #: 217 total cpu time spent up to now is 241.2 secs Computing kpt #: 218 total cpu time spent up to now is 242.5 secs Computing kpt #: 219 total cpu time spent up to now is 243.7 secs Computing kpt #: 220 total cpu time spent up to now is 244.9 secs Computing kpt #: 221 total cpu time spent up to now is 246.1 secs Computing kpt #: 222 total cpu time spent up to now is 247.3 secs Computing kpt #: 223 total cpu time spent up to now is 248.5 secs Computing kpt #: 224 total cpu time spent up to now is 249.7 secs Computing kpt #: 225 total cpu time spent up to now is 250.8 secs Computing kpt #: 226 total cpu time spent up to now is 252.0 secs Computing kpt #: 227 total cpu time spent up to now is 253.1 secs Computing kpt #: 228 total cpu time spent up to now is 254.2 secs Computing kpt #: 229 total cpu time spent up to now is 255.4 secs Computing kpt #: 230 total cpu time spent up to now is 256.5 secs Computing kpt #: 231 total cpu time spent up to now is 257.7 secs Computing kpt #: 232 total cpu time spent up to now is 258.8 secs Computing kpt #: 233 total cpu time spent up to now is 260.0 secs Computing kpt #: 234 total cpu time spent up to now is 261.1 secs Computing kpt #: 235 total cpu time spent up to now is 262.2 secs Computing kpt #: 236 total cpu time spent up to now is 263.3 secs Computing kpt #: 237 total cpu time spent up to now is 264.4 secs Computing kpt #: 238 total cpu time spent up to now is 265.6 secs Computing kpt #: 239 total cpu time spent up to now is 266.7 secs Computing kpt #: 240 total cpu time spent up to now is 267.8 secs Computing kpt #: 241 total cpu time spent up to now is 268.9 secs Computing kpt #: 242 total cpu time spent up to now is 270.0 secs Computing kpt #: 243 total cpu time spent up to now is 271.1 secs Computing kpt #: 244 total cpu time spent up to now is 272.2 secs Computing kpt #: 245 total cpu time spent up to now is 273.4 secs Computing kpt #: 246 total cpu time spent up to now is 274.5 secs Computing kpt #: 247 total cpu time spent up to now is 275.6 secs Computing kpt #: 248 total cpu time spent up to now is 276.6 secs Computing kpt #: 249 total cpu time spent up to now is 277.8 secs Computing kpt #: 250 total cpu time spent up to now is 278.8 secs Computing kpt #: 251 total cpu time spent up to now is 279.8 secs Computing kpt #: 252 total cpu time spent up to now is 280.7 secs Computing kpt #: 253 total cpu time spent up to now is 281.8 secs Computing kpt #: 254 total cpu time spent up to now is 282.7 secs Computing kpt #: 255 total cpu time spent up to now is 283.7 secs Computing kpt #: 256 total cpu time spent up to now is 284.7 secs Computing kpt #: 257 total cpu time spent up to now is 285.6 secs Computing kpt #: 258 total cpu time spent up to now is 286.6 secs Computing kpt #: 259 total cpu time spent up to now is 287.6 secs Computing kpt #: 260 total cpu time spent up to now is 288.6 secs Computing kpt #: 261 total cpu time spent up to now is 289.6 secs Computing kpt #: 262 total cpu time spent up to now is 290.6 secs Computing kpt #: 263 total cpu time spent up to now is 291.6 secs Computing kpt #: 264 total cpu time spent up to now is 292.6 secs Computing kpt #: 265 total cpu time spent up to now is 293.6 secs Computing kpt #: 266 total cpu time spent up to now is 294.8 secs Computing kpt #: 267 total cpu time spent up to now is 295.8 secs Computing kpt #: 268 total cpu time spent up to now is 297.0 secs Computing kpt #: 269 total cpu time spent up to now is 298.0 secs Computing kpt #: 270 total cpu time spent up to now is 299.2 secs Computing kpt #: 271 total cpu time spent up to now is 300.1 secs Computing kpt #: 272 total cpu time spent up to now is 301.2 secs Computing kpt #: 273 total cpu time spent up to now is 302.3 secs Computing kpt #: 274 total cpu time spent up to now is 303.4 secs Computing kpt #: 275 total cpu time spent up to now is 304.5 secs Computing kpt #: 276 total cpu time spent up to now is 305.6 secs Computing kpt #: 277 total cpu time spent up to now is 306.7 secs Computing kpt #: 278 total cpu time spent up to now is 307.8 secs Computing kpt #: 279 total cpu time spent up to now is 308.9 secs Computing kpt #: 280 total cpu time spent up to now is 310.0 secs Computing kpt #: 281 total cpu time spent up to now is 311.2 secs Computing kpt #: 282 total cpu time spent up to now is 312.4 secs Computing kpt #: 283 total cpu time spent up to now is 313.6 secs Computing kpt #: 284 total cpu time spent up to now is 314.8 secs Computing kpt #: 285 total cpu time spent up to now is 316.0 secs Computing kpt #: 286 total cpu time spent up to now is 317.2 secs Computing kpt #: 287 total cpu time spent up to now is 318.4 secs Computing kpt #: 288 total cpu time spent up to now is 319.6 secs Computing kpt #: 289 total cpu time spent up to now is 320.7 secs Computing kpt #: 290 total cpu time spent up to now is 321.9 secs ethr = 1.79E-08, avg # of iterations = 22.2 total cpu time spent up to now is 321.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5513 PWs) bands (ev): -20.0711 -20.0711 -19.5426 -19.5426 -19.5425 -19.5425 -19.1585 -19.1585 -13.9285 -13.9285 -11.2757 -11.2757 -10.8824 -10.8824 -10.8818 -10.8818 -7.7597 -7.7597 -7.1673 -7.1673 -6.4636 -6.4636 -6.1289 -6.1289 -6.1257 -6.1257 -5.2793 -5.2793 -5.2782 -5.2782 -4.6783 -4.6783 -3.8835 -3.8835 -2.8979 -2.8979 -2.8930 -2.8930 -2.2011 -2.2011 -1.9496 -1.9496 -1.2131 -1.2131 -1.1032 -1.1032 -1.1027 -1.1027 -0.4575 -0.4575 -0.2662 -0.2662 0.7114 0.7114 0.7162 0.7162 6.4006 6.4006 9.2819 9.2819 9.4930 9.4930 9.8976 9.8976 9.9003 9.9003 9.9208 9.9208 k = 0.0000 0.0000 0.0188 ( 5499 PWs) bands (ev): -20.0707 -20.0707 -19.5427 -19.5427 -19.5425 -19.5425 -19.1588 -19.1588 -13.9281 -13.9281 -11.2766 -11.2766 -10.8822 -10.8822 -10.8813 -10.8812 -7.7594 -7.7594 -7.1672 -7.1671 -6.4631 -6.4630 -6.1289 -6.1288 -6.1256 -6.1256 -5.2802 -5.2800 -5.2789 -5.2788 -4.6777 -4.6774 -3.8832 -3.8831 -2.8986 -2.8984 -2.8936 -2.8936 -2.2016 -2.2016 -1.9481 -1.9479 -1.2204 -1.2180 -1.1034 -1.1030 -1.0985 -1.0966 -0.4577 -0.4576 -0.2655 -0.2650 0.7111 0.7113 0.7160 0.7161 6.4028 6.4028 9.2792 9.2795 9.4888 9.4891 9.8507 9.8525 9.9012 9.9016 9.9679 9.9696 k = 0.0000 0.0000 0.0377 ( 5493 PWs) bands (ev): -20.0696 -20.0696 -19.5433 -19.5433 -19.5426 -19.5426 -19.1597 -19.1597 -13.9270 -13.9270 -11.2796 -11.2795 -10.8820 -10.8820 -10.8793 -10.8793 -7.7585 -7.7584 -7.1668 -7.1668 -6.4615 -6.4614 -6.1290 -6.1289 -6.1251 -6.1249 -5.2832 -5.2828 -5.2807 -5.2805 -4.6757 -4.6752 -3.8825 -3.8823 -2.9006 -2.9004 -2.8951 -2.8950 -2.2033 -2.2033 -1.9432 -1.9428 -1.2369 -1.2331 -1.1041 -1.1033 -1.0860 -1.0828 -0.4582 -0.4581 -0.2629 -0.2618 0.7102 0.7108 0.7155 0.7156 6.4094 6.4094 9.2712 9.2717 9.4765 9.4771 9.7951 9.7971 9.9081 9.9088 10.0254 10.0271 k = 0.0000 0.0000 0.0565 ( 5493 PWs) bands (ev): -20.0677 -20.0677 -19.5442 -19.5442 -19.5427 -19.5427 -19.1612 -19.1612 -13.9252 -13.9252 -11.2844 -11.2843 -10.8819 -10.8819 -10.8761 -10.8760 -7.7570 -7.7569 -7.1662 -7.1662 -6.4590 -6.4589 -6.1298 -6.1296 -6.1236 -6.1234 -5.2883 -5.2878 -5.2832 -5.2831 -4.6725 -4.6717 -3.8813 -3.8810 -2.9044 -2.9041 -2.8970 -2.8966 -2.2062 -2.2061 -1.9351 -1.9344 -1.2586 -1.2540 -1.1052 -1.1039 -1.0693 -1.0655 -0.4591 -0.4590 -0.2584 -0.2567 0.7085 0.7095 0.7150 0.7151 6.4202 6.4204 9.2578 9.2586 9.4567 9.4576 9.7412 9.7432 9.9191 9.9200 10.0829 10.0845 k = 0.0000 0.0000 0.0754 ( 5497 PWs) bands (ev): -20.0651 -20.0651 -19.5455 -19.5455 -19.5429 -19.5429 -19.1633 -19.1633 -13.9226 -13.9226 -11.2910 -11.2909 -10.8817 -10.8817 -10.8716 -10.8715 -7.7550 -7.7548 -7.1655 -7.1654 -6.4554 -6.4553 -6.1311 -6.1309 -6.1213 -6.1210 -5.2953 -5.2947 -5.2867 -5.2866 -4.6681 -4.6671 -3.8797 -3.8793 -2.9100 -2.9095 -2.8991 -2.8984 -2.2102 -2.2101 -1.9239 -1.9230 -1.2832 -1.2781 -1.1065 -1.1048 -1.0510 -1.0470 -0.4605 -0.4603 -0.2519 -0.2497 0.7059 0.7073 0.7146 0.7147 6.4354 6.4356 9.2388 9.2398 9.4301 9.4311 9.6899 9.6920 9.9334 9.9346 10.1397 10.1413 k = 0.0000 0.0000 0.0942 ( 5497 PWs) bands (ev): -20.0617 -20.0617 -19.5471 -19.5471 -19.5432 -19.5432 -19.1660 -19.1660 -13.9194 -13.9194 -11.2990 -11.2989 -10.8815 -10.8815 -10.8662 -10.8661 -7.7524 -7.7522 -7.1644 -7.1643 -6.4508 -6.4507 -6.1330 -6.1328 -6.1181 -6.1178 -5.3039 -5.3032 -5.2910 -5.2909 -4.6628 -4.6616 -3.8777 -3.8773 -2.9171 -2.9165 -2.9013 -2.9004 -2.2155 -2.2154 -1.9099 -1.9088 -1.3094 -1.3041 -1.1082 -1.1061 -1.0324 -1.0285 -0.4624 -0.4621 -0.2434 -0.2407 0.7025 0.7042 0.7144 0.7146 6.4549 6.4550 9.2139 9.2151 9.3974 9.3985 9.6421 9.6443 9.9504 9.9518 10.1953 10.1969 k = 0.0000 0.0000 0.1130 ( 5493 PWs) bands (ev): -20.0575 -20.0575 -19.5491 -19.5491 -19.5435 -19.5435 -19.1694 -19.1694 -13.9155 -13.9155 -11.3085 -11.3083 -10.8813 -10.8813 -10.8600 -10.8598 -7.7493 -7.7491 -7.1632 -7.1631 -6.4453 -6.4451 -6.1354 -6.1351 -6.1143 -6.1140 -5.3139 -5.3132 -5.2961 -5.2959 -4.6567 -4.6553 -3.8754 -3.8749 -2.9253 -2.9246 -2.9036 -2.9025 -2.2220 -2.2219 -1.8932 -1.8918 -1.3367 -1.3313 -1.1102 -1.1077 -1.0143 -1.0104 -0.4649 -0.4645 -0.2329 -0.2297 0.6983 0.7003 0.7143 0.7145 6.4785 6.4787 9.1829 9.1842 9.3595 9.3606 9.5984 9.6007 9.9694 9.9709 10.2491 10.2507 k = 0.0000 0.0000 0.1319 ( 5501 PWs) bands (ev): -20.0527 -20.0527 -19.5514 -19.5514 -19.5438 -19.5438 -19.1733 -19.1733 -13.9109 -13.9109 -11.3190 -11.3189 -10.8810 -10.8810 -10.8531 -10.8530 -7.7457 -7.7455 -7.1618 -7.1616 -6.4388 -6.4385 -6.1382 -6.1380 -6.1099 -6.1095 -5.3252 -5.3244 -5.3018 -5.3016 -4.6501 -4.6486 -3.8729 -3.8724 -2.9345 -2.9336 -2.9060 -2.9046 -2.2297 -2.2297 -1.8742 -1.8726 -1.3645 -1.3591 -1.1124 -1.1096 -0.9969 -0.9930 -0.4679 -0.4675 -0.2205 -0.2168 0.6935 0.6958 0.7142 0.7145 6.5061 6.5064 9.1456 9.1471 9.3173 9.3183 9.5593 9.5615 9.9898 9.9914 10.3003 10.3020 k = 0.0000 0.0000 0.1507 ( 5519 PWs) bands (ev): -20.0472 -20.0472 -19.5540 -19.5539 -19.5443 -19.5443 -19.1778 -19.1778 -13.9058 -13.9058 -11.3306 -11.3304 -10.8808 -10.8807 -10.8458 -10.8457 -7.7417 -7.7415 -7.1603 -7.1601 -6.4313 -6.4310 -6.1416 -6.1413 -6.1048 -6.1044 -5.3375 -5.3367 -5.3080 -5.3077 -4.6432 -4.6415 -3.8704 -3.8698 -2.9444 -2.9434 -2.9083 -2.9067 -2.2387 -2.2387 -1.8533 -1.8514 -1.3927 -1.3873 -1.1149 -1.1118 -0.9804 -0.9766 -0.4717 -0.4712 -0.2062 -0.2020 0.6881 0.6907 0.7141 0.7144 6.5377 6.5380 9.1023 9.1038 9.2717 9.2727 9.5246 9.5268 10.0111 10.0128 10.3482 10.3498 k = 0.0000 0.0000 0.1696 ( 5515 PWs) bands (ev): -20.0409 -20.0409 -19.5568 -19.5568 -19.5447 -19.5447 -19.1830 -19.1830 -13.9000 -13.9000 -11.3428 -11.3427 -10.8804 -10.8804 -10.8382 -10.8380 -7.7374 -7.7372 -7.1586 -7.1584 -6.4229 -6.4226 -6.1453 -6.1450 -6.0992 -6.0988 -5.3506 -5.3498 -5.3146 -5.3141 -4.6362 -4.6344 -3.8679 -3.8672 -2.9547 -2.9537 -2.9103 -2.9086 -2.2489 -2.2489 -1.8308 -1.8286 -1.4209 -1.4156 -1.1177 -1.1143 -0.9650 -0.9612 -0.4761 -0.4755 -0.1900 -0.1853 0.6823 0.6851 0.7140 0.7144 6.5732 6.5735 9.0535 9.0550 9.2238 9.2246 9.4941 9.4962 10.0331 10.0349 10.3915 10.3932 k = 0.0000 0.0000 0.1884 ( 5511 PWs) bands (ev): -20.0340 -20.0340 -19.5598 -19.5598 -19.5452 -19.5452 -19.1887 -19.1887 -13.8937 -13.8937 -11.3557 -11.3555 -10.8800 -10.8800 -10.8303 -10.8302 -7.7327 -7.7325 -7.1569 -7.1566 -6.4136 -6.4133 -6.1495 -6.1491 -6.0931 -6.0926 -5.3644 -5.3637 -5.3212 -5.3207 -4.6293 -4.6274 -3.8656 -3.8648 -2.9654 -2.9643 -2.9120 -2.9101 -2.2603 -2.2602 -1.8072 -1.8047 -1.4487 -1.4436 -1.1207 -1.1170 -0.9505 -0.9467 -0.4812 -0.4805 -0.1720 -0.1669 0.6761 0.6792 0.7139 0.7143 6.6123 6.6127 9.0000 9.0015 9.1741 9.1749 9.4674 9.4692 10.0554 10.0572 10.4290 10.4307 k = 0.0000 0.0000 0.2072 ( 5511 PWs) bands (ev): -20.0264 -20.0264 -19.5630 -19.5630 -19.5457 -19.5457 -19.1951 -19.1951 -13.8869 -13.8869 -11.3689 -11.3687 -10.8797 -10.8796 -10.8224 -10.8222 -7.7278 -7.7275 -7.1551 -7.1548 -6.4035 -6.4031 -6.1540 -6.1536 -6.0866 -6.0861 -5.3788 -5.3781 -5.3278 -5.3272 -4.6226 -4.6207 -3.8635 -3.8627 -2.9762 -2.9750 -2.9131 -2.9112 -2.2727 -2.2726 -1.7831 -1.7803 -1.4758 -1.4709 -1.1239 -1.1200 -0.9372 -0.9333 -0.4871 -0.4862 -0.1524 -0.1469 0.6697 0.6730 0.7138 0.7142 6.6550 6.6554 8.9427 8.9441 9.1232 9.1239 9.4437 9.4454 10.0777 10.0796 10.4595 10.4613 k = 0.0000 0.0000 0.2261 ( 5495 PWs) bands (ev): -20.0182 -20.0182 -19.5664 -19.5664 -19.5462 -19.5462 -19.2020 -19.2020 -13.8797 -13.8796 -11.3824 -11.3822 -10.8792 -10.8791 -10.8145 -10.8144 -7.7227 -7.7223 -7.1532 -7.1529 -6.3926 -6.3922 -6.1589 -6.1584 -6.0796 -6.0791 -5.3938 -5.3930 -5.3342 -5.3335 -4.6164 -4.6144 -3.8617 -3.8609 -2.9870 -2.9858 -2.9137 -2.9116 -2.2861 -2.2860 -1.7593 -1.7562 -1.5014 -1.4969 -1.1272 -1.1231 -0.9249 -0.9209 -0.4935 -0.4925 -0.1313 -0.1255 0.6630 0.6666 0.7136 0.7141 6.7011 6.7015 8.8826 8.8838 9.0716 9.0722 9.4227 9.4243 10.0998 10.1018 10.4825 10.4842 k = 0.0000 0.0000 0.2449 ( 5495 PWs) bands (ev): -20.0094 -20.0094 -19.5700 -19.5700 -19.5468 -19.5468 -19.2096 -19.2096 -13.8720 -13.8720 -11.3960 -11.3958 -10.8788 -10.8787 -10.8068 -10.8066 -7.7174 -7.7170 -7.1515 -7.1511 -6.3809 -6.3805 -6.1640 -6.1635 -6.0724 -6.0718 -5.4092 -5.4083 -5.3401 -5.3393 -4.6106 -4.6086 -3.8605 -3.8596 -2.9977 -2.9964 -2.9134 -2.9113 -2.3004 -2.3003 -1.7371 -1.7337 -1.5244 -1.5205 -1.1308 -1.1265 -0.9136 -0.9095 -0.5006 -0.4994 -0.1089 -0.1027 0.6562 0.6600 0.7133 0.7139 6.7503 6.7508 8.8204 8.8216 9.0195 9.0202 9.4039 9.4054 10.1214 10.1235 10.4977 10.4994 k = 0.0000 0.0000 0.2638 ( 5483 PWs) bands (ev): -20.0000 -20.0000 -19.5736 -19.5736 -19.5474 -19.5474 -19.2177 -19.2177 -13.8640 -13.8640 -11.4096 -11.4094 -10.8783 -10.8782 -10.7992 -10.7990 -7.7120 -7.7116 -7.1498 -7.1495 -6.3687 -6.3682 -6.1693 -6.1687 -6.0648 -6.0642 -5.4250 -5.4241 -5.3454 -5.3445 -4.6054 -4.6034 -3.8597 -3.8588 -3.0083 -3.0069 -2.9124 -2.9102 -2.3155 -2.3154 -1.7188 -1.7149 -1.5427 -1.5396 -1.1345 -1.1301 -0.9032 -0.8990 -0.5083 -0.5070 -0.0853 -0.0788 0.6494 0.6534 0.7130 0.7136 6.8025 6.8031 8.7572 8.7583 8.9674 8.9681 9.3868 9.3882 10.1425 10.1446 10.5060 10.5077 k = 0.0000 0.0000 0.2826 ( 5497 PWs) bands (ev): -19.9901 -19.9901 -19.5773 -19.5773 -19.5480 -19.5480 -19.2265 -19.2264 -13.8557 -13.8557 -11.4232 -11.4230 -10.8779 -10.8778 -10.7919 -10.7917 -7.7065 -7.7061 -7.1484 -7.1480 -6.3558 -6.3553 -6.1747 -6.1740 -6.0570 -6.0563 -5.4412 -5.4402 -5.3501 -5.3491 -4.6009 -4.5989 -3.8596 -3.8587 -3.0186 -3.0172 -2.9104 -2.9082 -2.3312 -2.3312 -1.7077 -1.7034 -1.5530 -1.5512 -1.1383 -1.1338 -0.8938 -0.8894 -0.5165 -0.5150 -0.0607 -0.0539 0.6425 0.6467 0.7125 0.7132 6.8575 6.8581 8.6934 8.6944 8.9156 8.9162 9.3712 9.3725 10.1628 10.1650 10.5082 10.5098 k = 0.0000 0.0000 0.3014 ( 5485 PWs) bands (ev): -19.9796 -19.9796 -19.5809 -19.5809 -19.5486 -19.5486 -19.2358 -19.2357 -13.8472 -13.8472 -11.4365 -11.4363 -10.8774 -10.8774 -10.7849 -10.7847 -7.7011 -7.7007 -7.1471 -7.1467 -6.3425 -6.3420 -6.1799 -6.1792 -6.0489 -6.0482 -5.4578 -5.4567 -5.3538 -5.3527 -4.5971 -4.5951 -3.8601 -3.8592 -3.0286 -3.0271 -2.9076 -2.9053 -2.3475 -2.3475 -1.7072 -1.7024 -1.5520 -1.5516 -1.1422 -1.1376 -0.8852 -0.8807 -0.5251 -0.5236 -0.0351 -0.0281 0.6357 0.6400 0.7120 0.7127 6.9151 6.9157 8.6298 8.6307 8.8644 8.8650 9.3567 9.3579 10.1822 10.1844 10.5054 10.5069 k = 0.0000 0.0000 0.3203 ( 5490 PWs) bands (ev): -19.9687 -19.9687 -19.5846 -19.5846 -19.5493 -19.5493 -19.2456 -19.2456 -13.8386 -13.8385 -11.4495 -11.4494 -10.8770 -10.8769 -10.7782 -10.7780 -7.6957 -7.6953 -7.1461 -7.1457 -6.3290 -6.3284 -6.1849 -6.1842 -6.0407 -6.0400 -5.4747 -5.4735 -5.3566 -5.3555 -4.5940 -4.5920 -3.8614 -3.8604 -3.0382 -3.0366 -2.9038 -2.9015 -2.3643 -2.3642 -1.7171 -1.7122 -1.5410 -1.5401 -1.1461 -1.1415 -0.8775 -0.8727 -0.5342 -0.5325 -0.0089 -0.0017 0.6289 0.6334 0.7114 0.7121 6.9749 6.9756 8.5667 8.5676 8.8140 8.8146 9.3430 9.3442 10.2006 10.2029 10.4983 10.4997 k = 0.0000 0.0000 0.3391 ( 5496 PWs) bands (ev): -19.9574 -19.9574 -19.5881 -19.5881 -19.5499 -19.5499 -19.2560 -19.2560 -13.8298 -13.8298 -11.4622 -11.4621 -10.8766 -10.8765 -10.7719 -10.7717 -7.6904 -7.6900 -7.1454 -7.1450 -6.3153 -6.3147 -6.1894 -6.1886 -6.0324 -6.0317 -5.4920 -5.4907 -5.3584 -5.3572 -4.5916 -4.5897 -3.8633 -3.8624 -3.0474 -3.0458 -2.8991 -2.8968 -2.3814 -2.3812 -1.7340 -1.7291 -1.5228 -1.5210 -1.1501 -1.1455 -0.8704 -0.8656 -0.5437 -0.5419 0.0178 0.0253 0.6222 0.6269 0.7107 0.7114 7.0367 7.0375 8.5048 8.5057 8.7647 8.7653 9.3299 9.3310 10.2179 10.2203 10.4877 10.4890 k = 0.0000 0.0000 0.3580 ( 5492 PWs) bands (ev): -19.9457 -19.9457 -19.5915 -19.5915 -19.5506 -19.5506 -19.2669 -19.2669 -13.8210 -13.8209 -11.4745 -11.4744 -10.8761 -10.8760 -10.7659 -10.7657 -7.6852 -7.6848 -7.1451 -7.1446 -6.3019 -6.3012 -6.1931 -6.1922 -6.0241 -6.0233 -5.5094 -5.5081 -5.3592 -5.3580 -4.5898 -4.5880 -3.8659 -3.8650 -3.0561 -3.0545 -2.8935 -2.8913 -2.3986 -2.3984 -1.7545 -1.7497 -1.5005 -1.4981 -1.1540 -1.1494 -0.8640 -0.8590 -0.5534 -0.5514 0.0450 0.0526 0.6156 0.6205 0.7099 0.7106 7.1002 7.1010 8.4444 8.4452 8.7169 8.7174 9.3170 9.3182 10.2342 10.2366 10.4742 10.4755 k = 0.0000 0.0000 0.3768 ( 5492 PWs) bands (ev): -19.9337 -19.9336 -19.5948 -19.5948 -19.5513 -19.5513 -19.2783 -19.2783 -13.8122 -13.8121 -11.4863 -11.4862 -10.8757 -10.8756 -10.7602 -10.7600 -7.6802 -7.6797 -7.1451 -7.1447 -6.2891 -6.2885 -6.1954 -6.1944 -6.0157 -6.0149 -5.5272 -5.5257 -5.3590 -5.3578 -4.5887 -4.5870 -3.8693 -3.8684 -3.0643 -3.0627 -2.8873 -2.8851 -2.4158 -2.4156 -1.7766 -1.7720 -1.4763 -1.4736 -1.1578 -1.1533 -0.8582 -0.8532 -0.5633 -0.5613 0.0724 0.0801 0.6091 0.6141 0.7089 0.7097 7.1650 7.1659 8.3859 8.3867 8.6706 8.6711 9.3041 9.3053 10.2495 10.2519 10.4584 10.4596 k = 0.0000 0.0000 0.3956 ( 5496 PWs) bands (ev): -19.9214 -19.9214 -19.5978 -19.5978 -19.5519 -19.5519 -19.2902 -19.2902 -13.8035 -13.8034 -11.4976 -11.4975 -10.8753 -10.8752 -10.7550 -10.7548 -7.6753 -7.6749 -7.1456 -7.1451 -6.2777 -6.2771 -6.1957 -6.1946 -6.0073 -6.0066 -5.5450 -5.5436 -5.3579 -5.3567 -4.5882 -4.5865 -3.8733 -3.8724 -3.0721 -3.0704 -2.8804 -2.8782 -2.4330 -2.4327 -1.7991 -1.7948 -1.4515 -1.4485 -1.1615 -1.1571 -0.8530 -0.8479 -0.5734 -0.5712 0.0999 0.1076 0.6027 0.6078 0.7079 0.7087 7.2308 7.2318 8.3299 8.3307 8.6261 8.6267 9.2909 9.2921 10.2638 10.2662 10.4409 10.4419 k = 0.0000 0.0000 0.4145 ( 5490 PWs) bands (ev): -19.9090 -19.9090 -19.6005 -19.6005 -19.5526 -19.5526 -19.3025 -19.3024 -13.7949 -13.7949 -11.5084 -11.5082 -10.8749 -10.8748 -10.7501 -10.7499 -7.6707 -7.6702 -7.1464 -7.1459 -6.2685 -6.2680 -6.1931 -6.1919 -5.9991 -5.9983 -5.5630 -5.5615 -5.3559 -5.3548 -4.5882 -4.5866 -3.8778 -3.8770 -3.0793 -3.0776 -2.8729 -2.8708 -2.4499 -2.4495 -1.8215 -1.8175 -1.4268 -1.4236 -1.1651 -1.1607 -0.8484 -0.8432 -0.5835 -0.5812 0.1273 0.1351 0.5963 0.6016 0.7068 0.7076 7.2970 7.2981 8.2767 8.2775 8.5837 8.5842 9.2771 9.2783 10.2773 10.2798 10.4222 10.4231 k = 0.0000 0.0000 0.4333 ( 5490 PWs) bands (ev): -19.8965 -19.8964 -19.6029 -19.6029 -19.5532 -19.5532 -19.3151 -19.3151 -13.7866 -13.7865 -11.5185 -11.5184 -10.8746 -10.8745 -10.7456 -10.7454 -7.6663 -7.6658 -7.1476 -7.1471 -6.2622 -6.2617 -6.1870 -6.1858 -5.9911 -5.9903 -5.5811 -5.5795 -5.3532 -5.3521 -4.5886 -4.5871 -3.8829 -3.8821 -3.0861 -3.0844 -2.8651 -2.8630 -2.4665 -2.4660 -1.8433 -1.8396 -1.4026 -1.3993 -1.1684 -1.1641 -0.8441 -0.8390 -0.5935 -0.5912 0.1545 0.1624 0.5899 0.5953 0.7056 0.7065 7.3631 7.3642 8.2268 8.2276 8.5435 8.5440 9.2624 9.2635 10.2901 10.2926 10.4027 10.4035 k = 0.0000 0.0000 0.4522 ( 5486 PWs) bands (ev): -19.8840 -19.8839 -19.6048 -19.6048 -19.5538 -19.5538 -19.3281 -19.3281 -13.7785 -13.7784 -11.5280 -11.5279 -10.8742 -10.8741 -10.7415 -10.7413 -7.6621 -7.6616 -7.1491 -7.1487 -6.2586 -6.2582 -6.1774 -6.1762 -5.9833 -5.9825 -5.5991 -5.5975 -5.3498 -5.3487 -4.5894 -4.5880 -3.8885 -3.8877 -3.0923 -3.0906 -2.8570 -2.8550 -2.4825 -2.4820 -1.8643 -1.8608 -1.3794 -1.3761 -1.1713 -1.1672 -0.8404 -0.8352 -0.6034 -0.6011 0.1814 0.1893 0.5835 0.5890 0.7043 0.7052 7.4282 7.4294 8.1810 8.1818 8.5057 8.5062 9.2464 9.2475 10.3024 10.3048 10.3830 10.3838 k = 0.0000 0.0000 0.4710 ( 5482 PWs) bands (ev): -19.8716 -19.8716 -19.6062 -19.6062 -19.5543 -19.5543 -19.3414 -19.3413 -13.7707 -13.7707 -11.5369 -11.5368 -10.8739 -10.8738 -10.7377 -10.7375 -7.6582 -7.6577 -7.1510 -7.1506 -6.2572 -6.2569 -6.1652 -6.1640 -5.9759 -5.9751 -5.6170 -5.6154 -5.3458 -5.3448 -4.5904 -4.5892 -3.8944 -3.8937 -3.0980 -3.0963 -2.8488 -2.8468 -2.4980 -2.4974 -1.8842 -1.8810 -1.3575 -1.3541 -1.1738 -1.1698 -0.8370 -0.8319 -0.6132 -0.6108 0.2079 0.2158 0.5770 0.5826 0.7030 0.7039 7.4913 7.4926 8.1401 8.1409 8.4705 8.4711 9.2288 9.2300 10.3142 10.3164 10.3636 10.3644 k = 0.0000 0.0000 0.4899 ( 5486 PWs) bands (ev): -19.8594 -19.8594 -19.6071 -19.6071 -19.5549 -19.5549 -19.3548 -19.3548 -13.7634 -13.7633 -11.5451 -11.5450 -10.8736 -10.8735 -10.7342 -10.7341 -7.6546 -7.6541 -7.1531 -7.1528 -6.2571 -6.2568 -6.1512 -6.1499 -5.9690 -5.9683 -5.6347 -5.6331 -5.3415 -5.3405 -4.5917 -4.5906 -3.9005 -3.8999 -3.1031 -3.1015 -2.8406 -2.8387 -2.5127 -2.5121 -1.9029 -1.8999 -1.3371 -1.3339 -1.1757 -1.1719 -0.8340 -0.8291 -0.6226 -0.6202 0.2338 0.2417 0.5703 0.5761 0.7017 0.7025 7.5511 7.5524 8.1050 8.1059 8.4383 8.4389 9.2095 9.2107 10.3247 10.3265 10.3458 10.3469 k = 0.0000 0.0000 0.5087 ( 5490 PWs) bands (ev): -19.8477 -19.8477 -19.6074 -19.6074 -19.5554 -19.5554 -19.3684 -19.3684 -13.7565 -13.7564 -11.5526 -11.5525 -10.8733 -10.8733 -10.7312 -10.7310 -7.6512 -7.6508 -7.1554 -7.1551 -6.2577 -6.2574 -6.1361 -6.1348 -5.9628 -5.9620 -5.6520 -5.6505 -5.3369 -5.3360 -4.5932 -4.5921 -3.9068 -3.9062 -3.1078 -3.1063 -2.8325 -2.8307 -2.5267 -2.5260 -1.9202 -1.9176 -1.3186 -1.3155 -1.1769 -1.1732 -0.8313 -0.8266 -0.6316 -0.6292 0.2590 0.2669 0.5633 0.5692 0.7003 0.7011 7.6055 7.6069 8.0775 8.0784 8.4092 8.4099 9.1882 9.1894 10.3222 10.3230 10.3414 10.3438 k = 0.0000 0.0000 0.5275 ( 5490 PWs) bands (ev): -19.8365 -19.8365 -19.6069 -19.6069 -19.5558 -19.5558 -19.3820 -19.3820 -13.7500 -13.7500 -11.5594 -11.5593 -10.8731 -10.8730 -10.7284 -10.7283 -7.6482 -7.6478 -7.1579 -7.1576 -6.2586 -6.2582 -6.1203 -6.1190 -5.9573 -5.9566 -5.6688 -5.6673 -5.3321 -5.3313 -4.5947 -4.5937 -3.9131 -3.9125 -3.1120 -3.1106 -2.8247 -2.8230 -2.5397 -2.5390 -1.9361 -1.9337 -1.3021 -1.2992 -1.1773 -1.1737 -0.8290 -0.8245 -0.6401 -0.6378 0.2835 0.2913 0.5561 0.5621 0.6990 0.6997 7.6519 7.6533 8.0596 8.0604 8.3837 8.3844 9.1648 9.1660 10.3065 10.3071 10.3512 10.3535 k = 0.0000 0.0000 0.5464 ( 5490 PWs) bands (ev): -19.8259 -19.8259 -19.6057 -19.6057 -19.5563 -19.5563 -19.3956 -19.3955 -13.7442 -13.7441 -11.5655 -11.5654 -10.8729 -10.8728 -10.7260 -10.7258 -7.6455 -7.6451 -7.1603 -7.1600 -6.2595 -6.2592 -6.1042 -6.1029 -5.9528 -5.9521 -5.6848 -5.6835 -5.3273 -5.3266 -4.5962 -4.5953 -3.9192 -3.9187 -3.1157 -3.1144 -2.8173 -2.8156 -2.5517 -2.5510 -1.9505 -1.9484 -1.2880 -1.2853 -1.1767 -1.1731 -0.8269 -0.8227 -0.6480 -0.6459 0.3072 0.3149 0.5484 0.5545 0.6976 0.6984 7.6876 7.6890 8.0531 8.0539 8.3621 8.3628 9.1395 9.1407 10.2909 10.2914 10.3615 10.3635 k = 0.0000 0.0000 0.5652 ( 5486 PWs) bands (ev): -19.8163 -19.8162 -19.6037 -19.6037 -19.5566 -19.5566 -19.4089 -19.4088 -13.7389 -13.7389 -11.5708 -11.5708 -10.8727 -10.8726 -10.7238 -10.7237 -7.6430 -7.6427 -7.1627 -7.1625 -6.2604 -6.2601 -6.0880 -6.0867 -5.9494 -5.9488 -5.7000 -5.6988 -5.3227 -5.3221 -4.5976 -4.5969 -3.9250 -3.9245 -3.1189 -3.1177 -2.8103 -2.8088 -2.5626 -2.5619 -1.9633 -1.9614 -1.2764 -1.2740 -1.1750 -1.1715 -0.8251 -0.8212 -0.6553 -0.6533 0.3299 0.3375 0.5402 0.5464 0.6964 0.6971 7.7108 7.7121 8.0589 8.0595 8.3452 8.3459 9.1125 9.1136 10.2765 10.2770 10.3699 10.3716 k = 0.0000 0.0000 0.5841 ( 5494 PWs) bands (ev): -19.8076 -19.8076 -19.6010 -19.6010 -19.5569 -19.5569 -19.4217 -19.4217 -13.7342 -13.7342 -11.5755 -11.5755 -10.8725 -10.8724 -10.7220 -10.7219 -7.6409 -7.6407 -7.1650 -7.1648 -6.2612 -6.2609 -6.0721 -6.0707 -5.9474 -5.9468 -5.7140 -5.7129 -5.3184 -5.3178 -4.5990 -4.5984 -3.9303 -3.9300 -3.1217 -3.1206 -2.8040 -2.8026 -2.5723 -2.5716 -1.9744 -1.9728 -1.2673 -1.2652 -1.1723 -1.1690 -0.8235 -0.8201 -0.6618 -0.6600 0.3515 0.3591 0.5314 0.5378 0.6953 0.6959 7.7223 7.7233 8.0743 8.0748 8.3337 8.3345 9.0843 9.0853 10.2638 10.2642 10.3741 10.3752 k = 0.0000 0.0000 0.6029 ( 5498 PWs) bands (ev): -19.8001 -19.8001 -19.5976 -19.5976 -19.5572 -19.5572 -19.4339 -19.4338 -13.7302 -13.7302 -11.5795 -11.5794 -10.8723 -10.8723 -10.7205 -10.7204 -7.6391 -7.6389 -7.1671 -7.1669 -6.2619 -6.2616 -6.0564 -6.0551 -5.9470 -5.9463 -5.7265 -5.7255 -5.3145 -5.3140 -4.6002 -4.5997 -3.9351 -3.9348 -3.1240 -3.1231 -2.7983 -2.7971 -2.5807 -2.5800 -1.9839 -1.9826 -1.2605 -1.2587 -1.1689 -1.1658 -0.8222 -0.8192 -0.6674 -0.6658 0.3722 0.3797 0.5221 0.5285 0.6943 0.6948 7.7253 7.7260 8.0944 8.0948 8.3286 8.3294 9.0558 9.0567 10.2528 10.2531 10.3721 10.3727 k = 0.0000 0.0000 0.6217 ( 5490 PWs) bands (ev): -19.7938 -19.7938 -19.5938 -19.5938 -19.5574 -19.5574 -19.4450 -19.4450 -13.7269 -13.7269 -11.5827 -11.5827 -10.8722 -10.8722 -10.7192 -10.7192 -7.6376 -7.6375 -7.1689 -7.1687 -6.2624 -6.2622 -6.0415 -6.0401 -5.9481 -5.9474 -5.7372 -5.7364 -5.3110 -5.3107 -4.6012 -4.6008 -3.9392 -3.9390 -3.1259 -3.1251 -2.7935 -2.7925 -2.5877 -2.5871 -1.9916 -1.9906 -1.2556 -1.2541 -1.1651 -1.1624 -0.8210 -0.8186 -0.6721 -0.6708 0.3917 0.3990 0.5120 0.5184 0.6934 0.6938 7.7233 7.7239 8.1137 8.1140 8.3303 8.3310 9.0282 9.0291 10.2437 10.2440 10.3653 10.3655 k = 0.0000 0.0000 0.6406 ( 5488 PWs) bands (ev): -19.7888 -19.7888 -19.5899 -19.5899 -19.5575 -19.5575 -19.4546 -19.4546 -13.7243 -13.7243 -11.5852 -11.5852 -10.8721 -10.8721 -10.7183 -10.7182 -7.6365 -7.6363 -7.1704 -7.1702 -6.2628 -6.2626 -6.0276 -6.0263 -5.9509 -5.9501 -5.7458 -5.7452 -5.3083 -5.3080 -4.6020 -4.6017 -3.9426 -3.9424 -3.1273 -3.1267 -2.7896 -2.7888 -2.5932 -2.5928 -1.9976 -1.9968 -1.2524 -1.2512 -1.1614 -1.1593 -0.8201 -0.8182 -0.6758 -0.6748 0.4099 0.4171 0.5012 0.5077 0.6927 0.6930 7.7195 7.7199 8.1284 8.1287 8.3377 8.3384 9.0033 9.0040 10.2365 10.2367 10.3570 10.3572 k = 0.0000 0.0000 0.6594 ( 5486 PWs) bands (ev): -19.7853 -19.7853 -19.5864 -19.5864 -19.5576 -19.5576 -19.4623 -19.4623 -13.7224 -13.7224 -11.5870 -11.5870 -10.8721 -10.8720 -10.7176 -10.7176 -7.6357 -7.6356 -7.1714 -7.1714 -6.2630 -6.2629 -6.0154 -6.0143 -5.9548 -5.9540 -5.7521 -5.7517 -5.3062 -5.3060 -4.6026 -4.6024 -3.9450 -3.9449 -3.1283 -3.1279 -2.7867 -2.7862 -2.5972 -2.5969 -2.0019 -2.0013 -1.2502 -1.2494 -1.1583 -1.1568 -0.8193 -0.8180 -0.6784 -0.6777 0.4268 0.4337 0.4899 0.4962 0.6922 0.6925 7.7156 7.7159 8.1378 8.1380 8.3478 8.3483 8.9832 8.9837 10.2314 10.2315 10.3500 10.3502 k = 0.0000 0.0000 0.6783 ( 5486 PWs) bands (ev): -19.7831 -19.7831 -19.5840 -19.5840 -19.5577 -19.5577 -19.4672 -19.4672 -13.7212 -13.7212 -11.5881 -11.5881 -10.8720 -10.8720 -10.7172 -10.7172 -7.6351 -7.6351 -7.1721 -7.1720 -6.2632 -6.2631 -6.0063 -6.0056 -5.9586 -5.9581 -5.7559 -5.7557 -5.3049 -5.3048 -4.6029 -4.6028 -3.9465 -3.9464 -3.1289 -3.1287 -2.7849 -2.7846 -2.5996 -2.5994 -2.0044 -2.0041 -1.2490 -1.2486 -1.1562 -1.1554 -0.8187 -0.8180 -0.6800 -0.6796 0.4419 0.4475 0.4791 0.4846 0.6920 0.6921 7.7129 7.7131 8.1426 8.1427 8.3563 8.3565 8.9699 8.9702 10.2283 10.2284 10.3455 10.3456 k = 0.0000 0.0000 0.6971 ( 5490 PWs) bands (ev): -19.7824 -19.7824 -19.5832 -19.5832 -19.5577 -19.5577 -19.4689 -19.4689 -13.7209 -13.7209 -11.5884 -11.5884 -10.8720 -10.8720 -10.7170 -10.7170 -7.6349 -7.6349 -7.1723 -7.1723 -6.2632 -6.2632 -6.0024 -6.0024 -5.9602 -5.9602 -5.7571 -5.7571 -5.3045 -5.3045 -4.6030 -4.6030 -3.9470 -3.9470 -3.1290 -3.1290 -2.7842 -2.7842 -2.6003 -2.6003 -2.0051 -2.0051 -1.2485 -1.2485 -1.1552 -1.1552 -0.8183 -0.8183 -0.6804 -0.6804 0.4520 0.4520 0.4756 0.4756 0.6919 0.6919 7.7120 7.7120 8.1441 8.1441 8.3596 8.3596 8.9654 8.9654 10.2273 10.2273 10.3439 10.3439 k = 0.0000 0.0000 0.6971 ( 5490 PWs) bands (ev): -19.7824 -19.7824 -19.5832 -19.5832 -19.5577 -19.5577 -19.4689 -19.4689 -13.7209 -13.7209 -11.5884 -11.5884 -10.8720 -10.8720 -10.7170 -10.7170 -7.6349 -7.6349 -7.1723 -7.1723 -6.2632 -6.2632 -6.0024 -6.0024 -5.9602 -5.9602 -5.7571 -5.7571 -5.3045 -5.3045 -4.6030 -4.6030 -3.9470 -3.9470 -3.1290 -3.1290 -2.7842 -2.7842 -2.6003 -2.6003 -2.0051 -2.0051 -1.2485 -1.2485 -1.1552 -1.1552 -0.8183 -0.8183 -0.6804 -0.6804 0.4520 0.4520 0.4756 0.4756 0.6919 0.6919 7.7120 7.7120 8.1441 8.1441 8.3596 8.3596 8.9654 8.9654 10.2273 10.2273 10.3439 10.3439 k =-0.0132 0.0129 0.6971 ( 5490 PWs) bands (ev): -19.7828 -19.7828 -19.5831 -19.5831 -19.5594 -19.5594 -19.4667 -19.4667 -13.7213 -13.7213 -11.5885 -11.5885 -10.8718 -10.8718 -10.7171 -10.7171 -7.6351 -7.6350 -7.1720 -7.1720 -6.2633 -6.2632 -6.0043 -6.0038 -5.9588 -5.9582 -5.7565 -5.7565 -5.3045 -5.3044 -4.6032 -4.6031 -3.9462 -3.9461 -3.1292 -3.1290 -2.7850 -2.7847 -2.6003 -2.6000 -2.0047 -2.0043 -1.2506 -1.2493 -1.1559 -1.1555 -0.8184 -0.8174 -0.6797 -0.6795 0.4519 0.4525 0.4745 0.4752 0.6915 0.6920 7.7110 7.7111 8.1456 8.1457 8.3612 8.3612 8.9615 8.9618 10.2238 10.2244 10.3442 10.3444 k =-0.0265 0.0257 0.6971 ( 5490 PWs) bands (ev): -19.7839 -19.7839 -19.5831 -19.5831 -19.5641 -19.5641 -19.4604 -19.4604 -13.7226 -13.7226 -11.5886 -11.5886 -10.8713 -10.8713 -10.7173 -10.7173 -7.6355 -7.6353 -7.1712 -7.1711 -6.2636 -6.2633 -6.0088 -6.0078 -5.9546 -5.9536 -5.7548 -5.7546 -5.3046 -5.3044 -4.6037 -4.6034 -3.9439 -3.9438 -3.1296 -3.1293 -2.7871 -2.7865 -2.5998 -2.5994 -2.0029 -2.0021 -1.2556 -1.2531 -1.1576 -1.1569 -0.8178 -0.8161 -0.6776 -0.6772 0.4521 0.4533 0.4720 0.4733 0.6907 0.6917 7.7082 7.7083 8.1500 8.1502 8.3658 8.3660 8.9504 8.9508 10.2143 10.2156 10.3448 10.3452 k =-0.0397 0.0386 0.6971 ( 5490 PWs) bands (ev): -19.7858 -19.7858 -19.5832 -19.5832 -19.5706 -19.5706 -19.4513 -19.4513 -13.7247 -13.7247 -11.5889 -11.5889 -10.8705 -10.8705 -10.7176 -10.7176 -7.6360 -7.6358 -7.1697 -7.1696 -6.2639 -6.2635 -6.0144 -6.0133 -5.9489 -5.9477 -5.7517 -5.7515 -5.3047 -5.3044 -4.6044 -4.6040 -3.9401 -3.9398 -3.1302 -3.1297 -2.7905 -2.7896 -2.5992 -2.5985 -1.9998 -1.9987 -1.2633 -1.2597 -1.1603 -1.1593 -0.8169 -0.8145 -0.6738 -0.6732 0.4522 0.4545 0.4682 0.4704 0.6896 0.6911 7.7037 7.7038 8.1568 8.1571 8.3736 8.3738 8.9327 8.9333 10.1998 10.2016 10.3453 10.3458 k =-0.0530 0.0515 0.6971 ( 5482 PWs) bands (ev): -19.7885 -19.7885 -19.5837 -19.5837 -19.5774 -19.5774 -19.4402 -19.4402 -13.7277 -13.7277 -11.5893 -11.5892 -10.8693 -10.8693 -10.7180 -10.7180 -7.6368 -7.6365 -7.1678 -7.1676 -6.2644 -6.2639 -6.0204 -6.0193 -5.9426 -5.9413 -5.7473 -5.7470 -5.3046 -5.3043 -4.6055 -4.6050 -3.9347 -3.9344 -3.1310 -3.1304 -2.7949 -2.7937 -2.5983 -2.5975 -1.9954 -1.9939 -1.2733 -1.2687 -1.1641 -1.1628 -0.8161 -0.8132 -0.6683 -0.6674 0.4520 0.4561 0.4630 0.4669 0.6881 0.6901 7.6977 7.6978 8.1651 8.1655 8.3846 8.3849 8.9093 8.9102 10.1813 10.1836 10.3444 10.3451 k =-0.0662 0.0643 0.6971 ( 5482 PWs) bands (ev): -19.7921 -19.7921 -19.5874 -19.5874 -19.5810 -19.5810 -19.4280 -19.4280 -13.7315 -13.7315 -11.5897 -11.5897 -10.8678 -10.8678 -10.7186 -10.7185 -7.6378 -7.6374 -7.1654 -7.1651 -6.2651 -6.2645 -6.0264 -6.0252 -5.9363 -5.9350 -5.7415 -5.7411 -5.3045 -5.3041 -4.6069 -4.6063 -3.9279 -3.9276 -3.1320 -3.1311 -2.8002 -2.7989 -2.5975 -2.5965 -1.9899 -1.9880 -1.2853 -1.2800 -1.1690 -1.1673 -0.8158 -0.8127 -0.6609 -0.6595 0.4500 0.4566 0.4581 0.4642 0.6863 0.6887 7.6906 7.6907 8.1740 8.1745 8.3986 8.3989 8.8819 8.8829 10.1600 10.1626 10.3408 10.3418 k =-0.0795 0.0772 0.6971 ( 5478 PWs) bands (ev): -19.7966 -19.7966 -19.5940 -19.5940 -19.5814 -19.5813 -19.4151 -19.4151 -13.7361 -13.7360 -11.5902 -11.5902 -10.8660 -10.8659 -10.7192 -10.7192 -7.6391 -7.6386 -7.1625 -7.1622 -6.2660 -6.2653 -6.0320 -6.0308 -5.9305 -5.9292 -5.7341 -5.7337 -5.3042 -5.3037 -4.6087 -4.6080 -3.9198 -3.9193 -3.1329 -3.1319 -2.8063 -2.8048 -2.5968 -2.5958 -1.9831 -1.9809 -1.2990 -1.2929 -1.1749 -1.1729 -0.8165 -0.8132 -0.6517 -0.6497 0.4451 0.4494 0.4603 0.4637 0.6841 0.6869 7.6824 7.6826 8.1822 8.1827 8.4154 8.4158 8.8525 8.8535 10.1368 10.1396 10.3334 10.3344 k =-0.0927 0.0901 0.6971 ( 5486 PWs) bands (ev): -19.8021 -19.8021 -19.6003 -19.6003 -19.5812 -19.5812 -19.4017 -19.4017 -13.7414 -13.7414 -11.5909 -11.5908 -10.8638 -10.8638 -10.7200 -10.7199 -7.6406 -7.6401 -7.1593 -7.1590 -6.2671 -6.2663 -6.0371 -6.0360 -5.9251 -5.9239 -5.7252 -5.7247 -5.3037 -5.3030 -4.6111 -4.6102 -3.9103 -3.9098 -3.1339 -3.1327 -2.8130 -2.8114 -2.5965 -2.5955 -1.9753 -1.9728 -1.3140 -1.3073 -1.1819 -1.1797 -0.8184 -0.8151 -0.6407 -0.6381 0.4381 0.4414 0.4629 0.4650 0.6815 0.6847 7.6735 7.6737 8.1883 8.1888 8.4344 8.4349 8.8234 8.8245 10.1123 10.1153 10.3214 10.3225 k =-0.1060 0.1029 0.6971 ( 5490 PWs) bands (ev): -19.8084 -19.8084 -19.6058 -19.6058 -19.5809 -19.5809 -19.3882 -19.3882 -13.7474 -13.7474 -11.5916 -11.5916 -10.8613 -10.8613 -10.7208 -10.7208 -7.6424 -7.6418 -7.1559 -7.1555 -6.2684 -6.2675 -6.0417 -6.0406 -5.9204 -5.9192 -5.7146 -5.7140 -5.3028 -5.3020 -4.6139 -4.6129 -3.8997 -3.8991 -3.1348 -3.1335 -2.8201 -2.8184 -2.5967 -2.5956 -1.9665 -1.9636 -1.3299 -1.3228 -1.1900 -1.1875 -0.8216 -0.8182 -0.6282 -0.6250 0.4298 0.4327 0.4658 0.4671 0.6785 0.6820 7.6638 7.6641 8.1908 8.1912 8.4547 8.4554 8.7979 8.7989 10.0869 10.0900 10.3053 10.3065 k =-0.1192 0.1158 0.6971 ( 5498 PWs) bands (ev): -19.8157 -19.8157 -19.6104 -19.6104 -19.5805 -19.5805 -19.3746 -19.3745 -13.7541 -13.7541 -11.5924 -11.5924 -10.8585 -10.8585 -10.7218 -10.7217 -7.6444 -7.6438 -7.1523 -7.1518 -6.2698 -6.2688 -6.0458 -6.0447 -5.9163 -5.9152 -5.7024 -5.7016 -5.3015 -5.3007 -4.6173 -4.6162 -3.8879 -3.8873 -3.1356 -3.1341 -2.8275 -2.8258 -2.5975 -2.5964 -1.9568 -1.9536 -1.3465 -1.3390 -1.1992 -1.1965 -0.8262 -0.8226 -0.6145 -0.6107 0.4209 0.4237 0.4690 0.4698 0.6751 0.6789 7.6534 7.6537 8.1881 8.1886 8.4751 8.4758 8.7794 8.7804 10.0609 10.0640 10.2862 10.2873 k =-0.1324 0.1287 0.6971 ( 5510 PWs) bands (ev): -19.8238 -19.8238 -19.6139 -19.6139 -19.5800 -19.5800 -19.3610 -19.3609 -13.7615 -13.7614 -11.5933 -11.5933 -10.8555 -10.8554 -10.7228 -10.7228 -7.6468 -7.6461 -7.1486 -7.1481 -6.2713 -6.2701 -6.0494 -6.0484 -5.9128 -5.9118 -5.6886 -5.6877 -5.2997 -5.2988 -4.6214 -4.6202 -3.8752 -3.8745 -3.1362 -3.1345 -2.8351 -2.8335 -2.5990 -2.5980 -1.9463 -1.9429 -1.3635 -1.3557 -1.2095 -1.2065 -0.8320 -0.8281 -0.6000 -0.5957 0.4117 0.4146 0.4724 0.4729 0.6714 0.6755 7.6419 7.6423 8.1789 8.1795 8.4943 8.4952 8.7712 8.7721 10.0343 10.0374 10.2650 10.2661 k =-0.1457 0.1415 0.6971 ( 5506 PWs) bands (ev): -19.8326 -19.8326 -19.6164 -19.6164 -19.5795 -19.5795 -19.3475 -19.3475 -13.7693 -13.7693 -11.5942 -11.5942 -10.8521 -10.8520 -10.7239 -10.7238 -7.6494 -7.6487 -7.1450 -7.1445 -6.2726 -6.2714 -6.0526 -6.0516 -5.9098 -5.9088 -5.6732 -5.6722 -5.2974 -5.2964 -4.6261 -4.6248 -3.8616 -3.8609 -3.1364 -3.1345 -2.8428 -2.8412 -2.6013 -2.6003 -1.9352 -1.9315 -1.3806 -1.3727 -1.2208 -1.2175 -0.8389 -0.8347 -0.5850 -0.5803 0.4027 0.4057 0.4760 0.4764 0.6673 0.6716 7.6291 7.6296 8.1625 8.1632 8.5118 8.5128 8.7754 8.7762 10.0072 10.0102 10.2428 10.2437 k =-0.1589 0.1544 0.6971 ( 5490 PWs) bands (ev): -19.8420 -19.8420 -19.6180 -19.6180 -19.5789 -19.5789 -19.3342 -19.3342 -13.7777 -13.7776 -11.5952 -11.5952 -10.8484 -10.8483 -10.7250 -10.7249 -7.6523 -7.6516 -7.1415 -7.1409 -6.2737 -6.2725 -6.0556 -6.0546 -5.9072 -5.9063 -5.6563 -5.6552 -5.2945 -5.2934 -4.6316 -4.6301 -3.8472 -3.8465 -3.1362 -3.1342 -2.8506 -2.8490 -2.6044 -2.6034 -1.9236 -1.9198 -1.3976 -1.3896 -1.2331 -1.2296 -0.8467 -0.8422 -0.5700 -0.5649 0.3941 0.3972 0.4798 0.4802 0.6629 0.6674 7.6145 7.6150 8.1392 8.1402 8.5283 8.5294 8.7917 8.7925 9.9796 9.9825 10.2201 10.2209 k =-0.1722 0.1673 0.6971 ( 5490 PWs) bands (ev): -19.8519 -19.8519 -19.6187 -19.6187 -19.5783 -19.5783 -19.3212 -19.3212 -13.7865 -13.7865 -11.5963 -11.5962 -10.8444 -10.8444 -10.7262 -10.7261 -7.6556 -7.6548 -7.1383 -7.1377 -6.2744 -6.2732 -6.0584 -6.0575 -5.9049 -5.9041 -5.6380 -5.6368 -5.2909 -5.2898 -4.6378 -4.6363 -3.8322 -3.8315 -3.1356 -3.1335 -2.8582 -2.8567 -2.6083 -2.6074 -1.9117 -1.9077 -1.4144 -1.4064 -1.2463 -1.2426 -0.8554 -0.8505 -0.5552 -0.5499 0.3862 0.3893 0.4837 0.4843 0.6582 0.6629 7.5974 7.5981 8.1107 8.1118 8.5451 8.5462 8.8183 8.8191 9.9515 9.9543 10.1974 10.1981 k =-0.1854 0.1801 0.6971 ( 5488 PWs) bands (ev): -19.8622 -19.8622 -19.6186 -19.6186 -19.5777 -19.5777 -19.3085 -19.3085 -13.7957 -13.7956 -11.5974 -11.5973 -10.8402 -10.8402 -10.7274 -10.7274 -7.6591 -7.6583 -7.1355 -7.1348 -6.2746 -6.2734 -6.0612 -6.0602 -5.9029 -5.9021 -5.6184 -5.6172 -5.2867 -5.2855 -4.6448 -4.6432 -3.8168 -3.8160 -3.1346 -3.1322 -2.8658 -2.8643 -2.6132 -2.6123 -1.8998 -1.8957 -1.4308 -1.4229 -1.2604 -1.2564 -0.8649 -0.8597 -0.5410 -0.5354 0.3792 0.3824 0.4877 0.4885 0.6532 0.6581 7.5771 7.5779 8.0792 8.0805 8.5635 8.5646 8.8524 8.8532 9.9229 9.9255 10.1751 10.1757 k =-0.1987 0.1930 0.6971 ( 5488 PWs) bands (ev): -19.8727 -19.8727 -19.6178 -19.6178 -19.5770 -19.5770 -19.2962 -19.2962 -13.8052 -13.8052 -11.5985 -11.5985 -10.8358 -10.8357 -10.7287 -10.7286 -7.6629 -7.6621 -7.1331 -7.1324 -6.2741 -6.2729 -6.0641 -6.0631 -5.9011 -5.9004 -5.5976 -5.5963 -5.2818 -5.2806 -4.6526 -4.6510 -3.8010 -3.8002 -3.1329 -3.1305 -2.8731 -2.8717 -2.6190 -2.6181 -1.8880 -1.8838 -1.4465 -1.4388 -1.2751 -1.2709 -0.8750 -0.8694 -0.5275 -0.5218 0.3733 0.3766 0.4918 0.4928 0.6481 0.6531 7.5528 7.5536 8.0473 8.0488 8.5841 8.5852 8.8917 8.8926 9.8939 9.8964 10.1534 10.1539 k =-0.2119 0.2059 0.6971 ( 5482 PWs) bands (ev): -19.8833 -19.8833 -19.6165 -19.6165 -19.5763 -19.5763 -19.2843 -19.2842 -13.8150 -13.8149 -11.5997 -11.5996 -10.8312 -10.8311 -10.7299 -10.7299 -7.6670 -7.6662 -7.1313 -7.1306 -6.2729 -6.2716 -6.0670 -6.0660 -5.8995 -5.8988 -5.5757 -5.5742 -5.2762 -5.2750 -4.6612 -4.6595 -3.7850 -3.7842 -3.1307 -3.1281 -2.8801 -2.8788 -2.6257 -2.6249 -1.8766 -1.8724 -1.4614 -1.4540 -1.2904 -1.2860 -0.8857 -0.8798 -0.5150 -0.5092 0.3687 0.3721 0.4960 0.4972 0.6427 0.6479 7.5236 7.5245 8.0174 8.0190 8.6071 8.6082 8.9344 8.9353 9.8647 9.8670 10.1324 10.1328 k =-0.2252 0.2187 0.6971 ( 5486 PWs) bands (ev): -19.8940 -19.8940 -19.6146 -19.6146 -19.5756 -19.5756 -19.2727 -19.2727 -13.8249 -13.8248 -11.6009 -11.6008 -10.8263 -10.8263 -10.7312 -10.7312 -7.6714 -7.6705 -7.1301 -7.1294 -6.2707 -6.2694 -6.0701 -6.0691 -5.8979 -5.8973 -5.5528 -5.5513 -5.2701 -5.2688 -4.6706 -4.6688 -3.7689 -3.7681 -3.1278 -3.1251 -2.8869 -2.8857 -2.6333 -2.6325 -1.8659 -1.8617 -1.4754 -1.4684 -1.3061 -1.3015 -0.8969 -0.8907 -0.5037 -0.4979 0.3656 0.3691 0.5003 0.5016 0.6372 0.6425 7.4894 7.4902 7.9912 7.9928 8.6325 8.6336 8.9789 8.9799 9.8353 9.8374 10.1120 10.1125 k =-0.2384 0.2316 0.6971 ( 5490 PWs) bands (ev): -19.9046 -19.9046 -19.6124 -19.6124 -19.5749 -19.5749 -19.2617 -19.2617 -13.8349 -13.8349 -11.6021 -11.6020 -10.8214 -10.8213 -10.7325 -10.7324 -7.6760 -7.6752 -7.1295 -7.1288 -6.2675 -6.2663 -6.0734 -6.0724 -5.8965 -5.8959 -5.5290 -5.5274 -5.2633 -5.2620 -4.6808 -4.6789 -3.7529 -3.7521 -3.1243 -3.1215 -2.8933 -2.8921 -2.6417 -2.6410 -1.8560 -1.8519 -1.4882 -1.4817 -1.3220 -1.3173 -0.9086 -0.9021 -0.4937 -0.4879 0.3640 0.3677 0.5046 0.5060 0.6317 0.6371 7.4500 7.4509 7.9698 7.9714 8.6601 8.6611 9.0242 9.0252 9.8060 9.8079 10.0923 10.0927 k =-0.2517 0.2445 0.6971 ( 5492 PWs) bands (ev): -19.9151 -19.9151 -19.6098 -19.6098 -19.5742 -19.5742 -19.2511 -19.2511 -13.8450 -13.8449 -11.6033 -11.6032 -10.8163 -10.8162 -10.7337 -10.7337 -7.6809 -7.6800 -7.1296 -7.1289 -6.2633 -6.2621 -6.0768 -6.0759 -5.8951 -5.8946 -5.5044 -5.5028 -5.2560 -5.2547 -4.6916 -4.6897 -3.7370 -3.7363 -3.1201 -3.1171 -2.8993 -2.8982 -2.6511 -2.6504 -1.8474 -1.8433 -1.4995 -1.4937 -1.3380 -1.3331 -0.9206 -0.9139 -0.4850 -0.4793 0.3640 0.3679 0.5089 0.5105 0.6261 0.6316 7.4062 7.4070 7.9535 7.9550 8.6896 8.6907 9.0694 9.0705 9.7769 9.7787 10.0731 10.0736 k =-0.2649 0.2573 0.6971 ( 5494 PWs) bands (ev): -19.9253 -19.9253 -19.6069 -19.6069 -19.5735 -19.5735 -19.2410 -19.2410 -13.8550 -13.8550 -11.6045 -11.6044 -10.8111 -10.8110 -10.7350 -10.7349 -7.6860 -7.6851 -7.1303 -7.1296 -6.2581 -6.2570 -6.0805 -6.0796 -5.8939 -5.8934 -5.4793 -5.4776 -5.2483 -5.2470 -4.7031 -4.7012 -3.7216 -3.7208 -3.1152 -3.1121 -2.9048 -2.9038 -2.6613 -2.6606 -1.8403 -1.8363 -1.5093 -1.5042 -1.3538 -1.3489 -0.9329 -0.9260 -0.4777 -0.4721 0.3656 0.3697 0.5131 0.5149 0.6205 0.6261 7.3587 7.3595 7.9419 7.9434 8.7210 8.7221 9.1137 9.1148 9.7482 9.7498 10.0544 10.0549 k =-0.2649 0.2573 0.6971 ( 5494 PWs) bands (ev): -19.9253 -19.9253 -19.6069 -19.6069 -19.5735 -19.5735 -19.2410 -19.2410 -13.8550 -13.8550 -11.6045 -11.6044 -10.8111 -10.8110 -10.7350 -10.7349 -7.6860 -7.6851 -7.1303 -7.1296 -6.2581 -6.2570 -6.0805 -6.0796 -5.8939 -5.8934 -5.4793 -5.4776 -5.2483 -5.2470 -4.7031 -4.7012 -3.7216 -3.7208 -3.1152 -3.1121 -2.9048 -2.9038 -2.6613 -2.6606 -1.8403 -1.8363 -1.5093 -1.5042 -1.3538 -1.3489 -0.9329 -0.9260 -0.4777 -0.4721 0.3656 0.3697 0.5131 0.5149 0.6205 0.6261 7.3587 7.3595 7.9419 7.9434 8.7210 8.7221 9.1137 9.1148 9.7482 9.7498 10.0544 10.0549 k =-0.2739 0.2661 0.6845 ( 5504 PWs) bands (ev): -19.9320 -19.9320 -19.6060 -19.6060 -19.5720 -19.5720 -19.2344 -19.2344 -13.8618 -13.8617 -11.6051 -11.6050 -10.8147 -10.8146 -10.7288 -10.7287 -7.6898 -7.6889 -7.1311 -7.1303 -6.2605 -6.2594 -6.0749 -6.0740 -5.8942 -5.8937 -5.4639 -5.4622 -5.2410 -5.2397 -4.7118 -4.7099 -3.7133 -3.7126 -3.1061 -3.1030 -2.9114 -2.9105 -2.6705 -2.6698 -1.8293 -1.8255 -1.5188 -1.5141 -1.3673 -1.3622 -0.9402 -0.9330 -0.4743 -0.4688 0.3676 0.3718 0.5196 0.5213 0.6138 0.6194 7.3239 7.3246 7.9419 7.9433 8.7298 8.7310 9.1493 9.1504 9.7323 9.7339 10.0547 10.0552 k =-0.2830 0.2749 0.6719 ( 5508 PWs) bands (ev): -19.9383 -19.9383 -19.6076 -19.6076 -19.5681 -19.5681 -19.2282 -19.2282 -13.8683 -13.8683 -11.6054 -11.6054 -10.8190 -10.8189 -10.7219 -10.7218 -7.6935 -7.6927 -7.1318 -7.1311 -6.2623 -6.2612 -6.0705 -6.0697 -5.8944 -5.8940 -5.4493 -5.4476 -5.2327 -5.2315 -4.7208 -4.7188 -3.7053 -3.7046 -3.0965 -3.0933 -2.9183 -2.9174 -2.6793 -2.6787 -1.8187 -1.8152 -1.5276 -1.5233 -1.3804 -1.3752 -0.9472 -0.9397 -0.4713 -0.4659 0.3694 0.3738 0.5255 0.5270 0.6078 0.6134 7.2908 7.2915 7.9425 7.9439 8.7370 8.7382 9.1847 9.1859 9.7167 9.7182 10.0581 10.0586 k =-0.2920 0.2837 0.6593 ( 5504 PWs) bands (ev): -19.9442 -19.9442 -19.6106 -19.6106 -19.5629 -19.5629 -19.2223 -19.2223 -13.8746 -13.8745 -11.6057 -11.6056 -10.8236 -10.8235 -10.7150 -10.7149 -7.6971 -7.6963 -7.1325 -7.1318 -6.2634 -6.2623 -6.0674 -6.0665 -5.8945 -5.8941 -5.4359 -5.4344 -5.2234 -5.2223 -4.7299 -4.7279 -3.6975 -3.6968 -3.0865 -3.0833 -2.9256 -2.9248 -2.6875 -2.6869 -1.8090 -1.8058 -1.5355 -1.5315 -1.3929 -1.3876 -0.9540 -0.9462 -0.4685 -0.4633 0.3712 0.3757 0.5304 0.5315 0.6028 0.6084 7.2597 7.2604 7.9435 7.9449 8.7432 8.7444 9.2188 9.2201 9.7012 9.7028 10.0645 10.0649 k =-0.3011 0.2925 0.6467 ( 5505 PWs) bands (ev): -19.9496 -19.9496 -19.6140 -19.6140 -19.5574 -19.5574 -19.2169 -19.2169 -13.8805 -13.8804 -11.6058 -11.6057 -10.8283 -10.8282 -10.7082 -10.7081 -7.7005 -7.6997 -7.1333 -7.1325 -6.2636 -6.2626 -6.0655 -6.0647 -5.8945 -5.8940 -5.4241 -5.4226 -5.2132 -5.2123 -4.7391 -4.7371 -3.6901 -3.6894 -3.0764 -3.0732 -2.9334 -2.9326 -2.6949 -2.6943 -1.8006 -1.7975 -1.5424 -1.5386 -1.4045 -1.3992 -0.9604 -0.9526 -0.4661 -0.4610 0.3729 0.3776 0.5338 0.5345 0.5991 0.6047 7.2310 7.2316 7.9447 7.9460 8.7490 8.7503 9.2508 9.2522 9.6859 9.6874 10.0736 10.0741 k =-0.3101 0.3013 0.6341 ( 5503 PWs) bands (ev): -19.9545 -19.9544 -19.6175 -19.6175 -19.5520 -19.5520 -19.2120 -19.2120 -13.8859 -13.8859 -11.6058 -11.6058 -10.8326 -10.8325 -10.7019 -10.7018 -7.7037 -7.7029 -7.1340 -7.1333 -6.2630 -6.2621 -6.0651 -6.0643 -5.8942 -5.8937 -5.4139 -5.4125 -5.2023 -5.2015 -4.7480 -4.7461 -3.6829 -3.6823 -3.0665 -3.0632 -2.9416 -2.9408 -2.7012 -2.7006 -1.7938 -1.7908 -1.5480 -1.5441 -1.4149 -1.4098 -0.9666 -0.9586 -0.4639 -0.4589 0.3746 0.3794 0.5354 0.5359 0.5970 0.6027 7.2048 7.2054 7.9458 7.9470 8.7550 8.7563 9.2800 9.2814 9.6708 9.6723 10.0852 10.0858 k =-0.3192 0.3100 0.6215 ( 5497 PWs) bands (ev): -19.9588 -19.9588 -19.6208 -19.6208 -19.5470 -19.5470 -19.2076 -19.2076 -13.8909 -13.8909 -11.6058 -11.6057 -10.8366 -10.8365 -10.6962 -10.6961 -7.7066 -7.7058 -7.1347 -7.1340 -6.2615 -6.2606 -6.0660 -6.0652 -5.8937 -5.8932 -5.4053 -5.4041 -5.1909 -5.1902 -4.7567 -4.7547 -3.6762 -3.6756 -3.0569 -3.0537 -2.9499 -2.9493 -2.7063 -2.7057 -1.7890 -1.7860 -1.5522 -1.5480 -1.4241 -1.4190 -0.9724 -0.9644 -0.4619 -0.4571 0.3762 0.3812 0.5348 0.5358 0.5965 0.6024 7.1814 7.1819 7.9466 7.9478 8.7615 8.7628 9.3059 9.3074 9.6558 9.6573 10.0987 10.0993 k =-0.3282 0.3188 0.6088 ( 5493 PWs) bands (ev): -19.9626 -19.9626 -19.6238 -19.6238 -19.5425 -19.5425 -19.2038 -19.2037 -13.8954 -13.8953 -11.6057 -11.6057 -10.8400 -10.8399 -10.6913 -10.6912 -7.7092 -7.7084 -7.1354 -7.1347 -6.2590 -6.2582 -6.0684 -6.0675 -5.8930 -5.8924 -5.3984 -5.3974 -5.1794 -5.1790 -4.7648 -4.7629 -3.6699 -3.6694 -3.0483 -3.0450 -2.9581 -2.9575 -2.7103 -2.7097 -1.7865 -1.7831 -1.5549 -1.5502 -1.4317 -1.4268 -0.9778 -0.9699 -0.4602 -0.4555 0.3778 0.3830 0.5327 0.5341 0.5975 0.6035 7.1609 7.1614 7.9470 7.9482 8.7687 8.7701 9.3281 9.3297 9.6412 9.6427 10.1111 10.1112 k =-0.3372 0.3276 0.5962 ( 5494 PWs) bands (ev): -19.9658 -19.9658 -19.6264 -19.6264 -19.5385 -19.5385 -19.2004 -19.2004 -13.8992 -13.8992 -11.6057 -11.6056 -10.8427 -10.8426 -10.6873 -10.6872 -7.7114 -7.7107 -7.1360 -7.1353 -6.2556 -6.2548 -6.0720 -6.0712 -5.8921 -5.8916 -5.3930 -5.3921 -5.1685 -5.1682 -4.7722 -4.7703 -3.6642 -3.6637 -3.0413 -3.0379 -2.9654 -2.9649 -2.7131 -2.7124 -1.7861 -1.7824 -1.5561 -1.5507 -1.4377 -1.4329 -0.9827 -0.9750 -0.4586 -0.4541 0.3793 0.3846 0.5294 0.5312 0.5995 0.6057 7.1435 7.1440 7.9468 7.9479 8.7768 8.7782 9.3465 9.3482 9.6270 9.6286 10.0969 10.0975 k =-0.3463 0.3364 0.5836 ( 5503 PWs) bands (ev): -19.9685 -19.9685 -19.6287 -19.6286 -19.5353 -19.5352 -19.1977 -19.1977 -13.9024 -13.9024 -11.6056 -11.6056 -10.8447 -10.8446 -10.6843 -10.6842 -7.7132 -7.7125 -7.1366 -7.1359 -6.2512 -6.2505 -6.0770 -6.0761 -5.8911 -5.8906 -5.3890 -5.3882 -5.1585 -5.1584 -4.7786 -4.7767 -3.6590 -3.6586 -3.0370 -3.0336 -2.9707 -2.9700 -2.7149 -2.7141 -1.7878 -1.7836 -1.5559 -1.5498 -1.4420 -1.4373 -0.9872 -0.9796 -0.4573 -0.4529 0.3806 0.3862 0.5256 0.5274 0.6022 0.6084 7.1294 7.1299 7.9459 7.9469 8.7857 8.7871 9.3609 9.3627 9.6137 9.6152 10.0764 10.0770 k =-0.3553 0.3452 0.5710 ( 5507 PWs) bands (ev): -19.9706 -19.9706 -19.6304 -19.6304 -19.5326 -19.5326 -19.1956 -19.1956 -13.9050 -13.9049 -11.6056 -11.6055 -10.8458 -10.8456 -10.6824 -10.6823 -7.7146 -7.7140 -7.1371 -7.1364 -6.2459 -6.2453 -6.0831 -6.0822 -5.8900 -5.8895 -5.3861 -5.3854 -5.1502 -5.1501 -4.7837 -4.7819 -3.6544 -3.6541 -3.0368 -3.0332 -2.9727 -2.9715 -2.7156 -2.7148 -1.7912 -1.7866 -1.5546 -1.5478 -1.4444 -1.4399 -0.9909 -0.9836 -0.4561 -0.4519 0.3819 0.3875 0.5215 0.5232 0.6051 0.6115 7.1186 7.1190 7.9443 7.9453 8.7955 8.7968 9.3712 9.3730 9.6014 9.6030 10.0570 10.0577 k =-0.3644 0.3540 0.5584 ( 5503 PWs) bands (ev): -19.9721 -19.9721 -19.6317 -19.6317 -19.5307 -19.5307 -19.1941 -19.1941 -13.9068 -13.9068 -11.6056 -11.6055 -10.8459 -10.8458 -10.6816 -10.6815 -7.7156 -7.7149 -7.1375 -7.1369 -6.2397 -6.2391 -6.0902 -6.0894 -5.8890 -5.8885 -5.3842 -5.3836 -5.1439 -5.1437 -4.7874 -4.7856 -3.6506 -3.6503 -3.0406 -3.0369 -2.9710 -2.9694 -2.7154 -2.7145 -1.7960 -1.7911 -1.5523 -1.5451 -1.4450 -1.4408 -0.9940 -0.9869 -0.4551 -0.4510 0.3829 0.3887 0.5174 0.5190 0.6081 0.6145 7.1112 7.1116 7.9420 7.9429 8.8057 8.8070 9.3774 9.3792 9.5907 9.5923 10.0392 10.0399 k =-0.3734 0.3628 0.5458 ( 5502 PWs) bands (ev): -19.9730 -19.9730 -19.6325 -19.6325 -19.5295 -19.5295 -19.1932 -19.1931 -13.9079 -13.9079 -11.6056 -11.6056 -10.8452 -10.8451 -10.6820 -10.6819 -7.7160 -7.7154 -7.1378 -7.1372 -6.2327 -6.2321 -6.0984 -6.0975 -5.8879 -5.8874 -5.3832 -5.3827 -5.1400 -5.1398 -4.7895 -4.7877 -3.6476 -3.6474 -3.0474 -3.0437 -2.9663 -2.9646 -2.7144 -2.7136 -1.8018 -1.7966 -1.5494 -1.5421 -1.4439 -1.4401 -0.9963 -0.9895 -0.4542 -0.4502 0.3837 0.3896 0.5135 0.5148 0.6110 0.6174 7.1071 7.1076 7.9391 7.9399 8.8161 8.8174 9.3794 9.3812 9.5821 9.5837 10.0232 10.0238 k =-0.3824 0.3715 0.5332 ( 5498 PWs) bands (ev): -19.9733 -19.9733 -19.6328 -19.6328 -19.5290 -19.5290 -19.1929 -19.1929 -13.9083 -13.9082 -11.6058 -11.6057 -10.8435 -10.8434 -10.6835 -10.6835 -7.7161 -7.7154 -7.1380 -7.1374 -6.2248 -6.2243 -6.1075 -6.1066 -5.8870 -5.8865 -5.3829 -5.3824 -5.1388 -5.1386 -4.7898 -4.7880 -3.6455 -3.6453 -3.0558 -3.0522 -2.9602 -2.9584 -2.7128 -2.7119 -1.8081 -1.8028 -1.5460 -1.5388 -1.4413 -1.4380 -0.9978 -0.9913 -0.4536 -0.4496 0.3842 0.3902 0.5101 0.5111 0.6136 0.6200 7.1065 7.1069 7.9356 7.9364 8.8263 8.8275 9.3771 9.3789 9.5760 9.5776 10.0090 10.0095 k =-0.3824 0.3715 0.5332 ( 5498 PWs) bands (ev): -19.9733 -19.9733 -19.6328 -19.6328 -19.5290 -19.5290 -19.1929 -19.1929 -13.9083 -13.9082 -11.6058 -11.6057 -10.8435 -10.8434 -10.6835 -10.6835 -7.7161 -7.7154 -7.1380 -7.1374 -6.2248 -6.2243 -6.1075 -6.1066 -5.8870 -5.8865 -5.3829 -5.3824 -5.1388 -5.1386 -4.7898 -4.7880 -3.6455 -3.6453 -3.0558 -3.0522 -2.9602 -2.9584 -2.7128 -2.7119 -1.8081 -1.8028 -1.5460 -1.5388 -1.4413 -1.4380 -0.9978 -0.9913 -0.4536 -0.4496 0.3842 0.3902 0.5101 0.5111 0.6136 0.6200 7.1065 7.1069 7.9356 7.9364 8.8263 8.8275 9.3771 9.3789 9.5760 9.5776 10.0090 10.0095 k =-0.3729 0.3623 0.5199 ( 5508 PWs) bands (ev): -19.9651 -19.9651 -19.6431 -19.6431 -19.5234 -19.5234 -19.1989 -19.1988 -13.9008 -13.9008 -11.6031 -11.6030 -10.8566 -10.8565 -10.6753 -10.6753 -7.7112 -7.7106 -7.1329 -7.1323 -6.2372 -6.2366 -6.1057 -6.1048 -5.8872 -5.8867 -5.4115 -5.4110 -5.1388 -5.1384 -4.7798 -4.7780 -3.6563 -3.6561 -3.0617 -3.0582 -2.9599 -2.9579 -2.6978 -2.6969 -1.7952 -1.7897 -1.5480 -1.5411 -1.4358 -1.4323 -0.9845 -0.9779 -0.4528 -0.4485 0.3714 0.3773 0.5033 0.5042 0.6208 0.6272 7.1629 7.1634 7.9305 7.9313 8.7657 8.7669 9.3632 9.3651 9.5980 9.5996 10.0354 10.0360 k =-0.3633 0.3530 0.5065 ( 5506 PWs) bands (ev): -19.9566 -19.9566 -19.6538 -19.6538 -19.5175 -19.5175 -19.2050 -19.2050 -13.8932 -13.8932 -11.6000 -11.6000 -10.8698 -10.8697 -10.6672 -10.6671 -7.7064 -7.7058 -7.1278 -7.1271 -6.2495 -6.2489 -6.1046 -6.1036 -5.8874 -5.8868 -5.4396 -5.4391 -5.1387 -5.1384 -4.7703 -4.7686 -3.6675 -3.6673 -3.0669 -3.0635 -2.9586 -2.9564 -2.6836 -2.6828 -1.7824 -1.7766 -1.5487 -1.5422 -1.4309 -1.4272 -0.9708 -0.9641 -0.4524 -0.4478 0.3577 0.3637 0.4968 0.4977 0.6283 0.6347 7.2224 7.2229 7.9259 7.9268 8.7034 8.7046 9.3489 9.3509 9.6223 9.6241 10.0629 10.0635 k =-0.3538 0.3437 0.4932 ( 5502 PWs) bands (ev): -19.9477 -19.9476 -19.6649 -19.6649 -19.5115 -19.5115 -19.2114 -19.2114 -13.8857 -13.8857 -11.5966 -11.5965 -10.8830 -10.8829 -10.6593 -10.6593 -7.7018 -7.7011 -7.1227 -7.1220 -6.2615 -6.2610 -6.1042 -6.1033 -5.8874 -5.8867 -5.4670 -5.4665 -5.1388 -5.1385 -4.7614 -4.7597 -3.6790 -3.6789 -3.0713 -3.0680 -2.9561 -2.9538 -2.6705 -2.6697 -1.7698 -1.7640 -1.5481 -1.5420 -1.4266 -1.4227 -0.9568 -0.9501 -0.4524 -0.4476 0.3433 0.3493 0.4907 0.4916 0.6360 0.6424 7.2848 7.2853 7.9218 7.9226 8.6401 8.6413 9.3345 9.3365 9.6492 9.6510 10.0912 10.0919 k =-0.3442 0.3344 0.4799 ( 5502 PWs) bands (ev): -19.9385 -19.9384 -19.6762 -19.6762 -19.5053 -19.5053 -19.2178 -19.2177 -13.8784 -13.8783 -11.5928 -11.5927 -10.8959 -10.8958 -10.6518 -10.6517 -7.6974 -7.6968 -7.1178 -7.1171 -6.2731 -6.2726 -6.1049 -6.1039 -5.8872 -5.8865 -5.4933 -5.4928 -5.1391 -5.1388 -4.7531 -4.7515 -3.6907 -3.6906 -3.0750 -3.0718 -2.9525 -2.9501 -2.6583 -2.6575 -1.7576 -1.7517 -1.5459 -1.5405 -1.4230 -1.4190 -0.9425 -0.9358 -0.4530 -0.4479 0.3282 0.3342 0.4853 0.4861 0.6438 0.6501 7.3496 7.3502 7.9180 7.9187 8.5763 8.5776 9.3199 9.3220 9.6784 9.6803 10.1202 10.1210 k =-0.3346 0.3251 0.4666 ( 5502 PWs) bands (ev): -19.9291 -19.9291 -19.6876 -19.6876 -19.4991 -19.4991 -19.2241 -19.2241 -13.8713 -13.8712 -11.5885 -11.5884 -10.9085 -10.9084 -10.6448 -10.6447 -7.6933 -7.6927 -7.1132 -7.1125 -6.2840 -6.2835 -6.1066 -6.1057 -5.8870 -5.8863 -5.5183 -5.5178 -5.1395 -5.1392 -4.7453 -4.7438 -3.7025 -3.7025 -3.0780 -3.0749 -2.9479 -2.9454 -2.6470 -2.6463 -1.7458 -1.7398 -1.5424 -1.5376 -1.4202 -1.4162 -0.9281 -0.9214 -0.4541 -0.4489 0.3124 0.3184 0.4806 0.4813 0.6516 0.6579 7.4166 7.4173 7.9140 7.9148 8.5132 8.5144 9.3053 9.3074 9.7100 9.7119 10.1498 10.1506 k =-0.3251 0.3158 0.4532 ( 5492 PWs) bands (ev): -19.9197 -19.9197 -19.6990 -19.6989 -19.4930 -19.4930 -19.2304 -19.2304 -13.8645 -13.8645 -11.5838 -11.5837 -10.9206 -10.9205 -10.6384 -10.6383 -7.6896 -7.6890 -7.1089 -7.1082 -6.2941 -6.2936 -6.1097 -6.1088 -5.8868 -5.8860 -5.5415 -5.5410 -5.1402 -5.1399 -4.7381 -4.7368 -3.7143 -3.7142 -3.0803 -3.0773 -2.9423 -2.9398 -2.6366 -2.6359 -1.7344 -1.7284 -1.5374 -1.5335 -1.4183 -1.4142 -0.9136 -0.9070 -0.4558 -0.4504 0.2959 0.3019 0.4768 0.4775 0.6594 0.6657 7.4852 7.4859 7.9094 7.9100 8.4519 8.4532 9.2910 9.2931 9.7439 9.7459 10.1796 10.1805 k =-0.3155 0.3065 0.4399 ( 5494 PWs) bands (ev): -19.9105 -19.9105 -19.7101 -19.7100 -19.4870 -19.4870 -19.2365 -19.2365 -13.8581 -13.8581 -11.5787 -11.5786 -10.9321 -10.9320 -10.6327 -10.6326 -7.6862 -7.6857 -7.1050 -7.1044 -6.3031 -6.3027 -6.1141 -6.1133 -5.8867 -5.8858 -5.5628 -5.5623 -5.1413 -5.1410 -4.7315 -4.7302 -3.7258 -3.7257 -3.0819 -3.0792 -2.9359 -2.9334 -2.6270 -2.6262 -1.7234 -1.7175 -1.5312 -1.5281 -1.4173 -1.4131 -0.8994 -0.8929 -0.4581 -0.4525 0.2787 0.2848 0.4741 0.4747 0.6672 0.6733 7.5546 7.5553 7.9034 7.9038 8.3943 8.3957 9.2769 9.2790 9.7800 9.7821 10.2095 10.2104 k =-0.3060 0.2972 0.4266 ( 5480 PWs) bands (ev): -19.9017 -19.9017 -19.7206 -19.7206 -19.4812 -19.4812 -19.2422 -19.2422 -13.8523 -13.8523 -11.5731 -11.5730 -10.9427 -10.9426 -10.6278 -10.6278 -7.6833 -7.6828 -7.1017 -7.1011 -6.3109 -6.3105 -6.1200 -6.1192 -5.8868 -5.8859 -5.5818 -5.5812 -5.1427 -5.1424 -4.7252 -4.7241 -3.7369 -3.7368 -3.0831 -3.0805 -2.9287 -2.9263 -2.6178 -2.6171 -1.7128 -1.7070 -1.5239 -1.5215 -1.4170 -1.4130 -0.8854 -0.8791 -0.4609 -0.4553 0.2610 0.2671 0.4724 0.4731 0.6748 0.6808 7.6230 7.6238 7.8954 7.8956 8.3427 8.3442 9.2632 9.2653 9.8183 9.8203 10.2391 10.2401 k =-0.2964 0.2879 0.4132 ( 5480 PWs) bands (ev): -19.8937 -19.8936 -19.7303 -19.7302 -19.4758 -19.4758 -19.2475 -19.2475 -13.8471 -13.8470 -11.5670 -11.5669 -10.9525 -10.9525 -10.6239 -10.6239 -7.6809 -7.6803 -7.0990 -7.0985 -6.3174 -6.3170 -6.1274 -6.1266 -5.8874 -5.8865 -5.5983 -5.5977 -5.1446 -5.1443 -4.7193 -4.7183 -3.7476 -3.7474 -3.0838 -3.0814 -2.9210 -2.9187 -2.6091 -2.6083 -1.7026 -1.6969 -1.5158 -1.5140 -1.4176 -1.4138 -0.8719 -0.8658 -0.4643 -0.4585 0.2426 0.2487 0.4719 0.4726 0.6821 0.6881 7.6863 7.6871 7.8869 7.8872 8.2999 8.3016 9.2502 9.2522 9.8585 9.8605 10.2682 10.2693 k =-0.2868 0.2787 0.3999 ( 5480 PWs) bands (ev): -19.8869 -19.8869 -19.7385 -19.7385 -19.4710 -19.4710 -19.2522 -19.2522 -13.8425 -13.8425 -11.5605 -11.5604 -10.9614 -10.9613 -10.6211 -10.6210 -7.6789 -7.6784 -7.0970 -7.0965 -6.3223 -6.3220 -6.1362 -6.1355 -5.8887 -5.8878 -5.6120 -5.6114 -5.1469 -5.1467 -4.7136 -4.7127 -3.7578 -3.7576 -3.0841 -3.0818 -2.9130 -2.9108 -2.6003 -2.5995 -1.6927 -1.6872 -1.5072 -1.5055 -1.4188 -1.4153 -0.8591 -0.8532 -0.4680 -0.4622 0.2236 0.2298 0.4727 0.4734 0.6892 0.6951 7.7310 7.7319 7.8888 7.8896 8.2685 8.2704 9.2378 9.2398 9.9004 9.9025 10.2964 10.2976 k =-0.2773 0.2694 0.3866 ( 5472 PWs) bands (ev): -19.8819 -19.8819 -19.7448 -19.7448 -19.4667 -19.4667 -19.2562 -19.2562 -13.8387 -13.8386 -11.5535 -11.5534 -10.9692 -10.9691 -10.6193 -10.6192 -7.6774 -7.6770 -7.0958 -7.0953 -6.3257 -6.3254 -6.1464 -6.1458 -5.8908 -5.8898 -5.6229 -5.6223 -5.1498 -5.1495 -4.7080 -4.7073 -3.7673 -3.7671 -3.0840 -3.0819 -2.9049 -2.9029 -2.5913 -2.5905 -1.6832 -1.6780 -1.4986 -1.4965 -1.4203 -1.4173 -0.8470 -0.8415 -0.4720 -0.4663 0.2042 0.2104 0.4747 0.4754 0.6960 0.7018 7.7351 7.7359 7.9222 7.9234 8.2500 8.2521 9.2262 9.2282 9.9440 9.9460 10.3234 10.3247 k =-0.2677 0.2601 0.3732 ( 5484 PWs) bands (ev): -19.8794 -19.8794 -19.7484 -19.7484 -19.4633 -19.4633 -19.2593 -19.2593 -13.8356 -13.8356 -11.5461 -11.5460 -10.9758 -10.9758 -10.6187 -10.6186 -7.6765 -7.6761 -7.0953 -7.0949 -6.3273 -6.3272 -6.1579 -6.1573 -5.8939 -5.8929 -5.6309 -5.6303 -5.1532 -5.1530 -4.7024 -4.7018 -3.7763 -3.7760 -3.0836 -3.0818 -2.8971 -2.8953 -2.5816 -2.5809 -1.6742 -1.6693 -1.4905 -1.4876 -1.4215 -1.4193 -0.8360 -0.8309 -0.4762 -0.4706 0.1842 0.1905 0.4780 0.4787 0.7024 0.7080 7.7031 7.7039 7.9828 7.9840 8.2442 8.2464 9.2156 9.2176 9.9889 9.9909 10.3485 10.3499 k =-0.2582 0.2508 0.3599 ( 5466 PWs) bands (ev): -19.8797 -19.8797 -19.7490 -19.7490 -19.4608 -19.4608 -19.2614 -19.2614 -13.8333 -13.8333 -11.5382 -11.5381 -10.9813 -10.9812 -10.6192 -10.6191 -7.6761 -7.6757 -7.0956 -7.0953 -6.3273 -6.3272 -6.1704 -6.1699 -5.8979 -5.8970 -5.6360 -5.6354 -5.1571 -5.1569 -4.6967 -4.6962 -3.7846 -3.7843 -3.0830 -3.0813 -2.8897 -2.8882 -2.5711 -2.5703 -1.6657 -1.6611 -1.4837 -1.4798 -1.4217 -1.4200 -0.8261 -0.8214 -0.4804 -0.4749 0.1639 0.1701 0.4825 0.4833 0.7083 0.7138 7.6531 7.6539 8.0539 8.0552 8.2497 8.2520 9.2061 9.2080 10.0347 10.0367 10.3711 10.3726 k =-0.2486 0.2415 0.3466 ( 5466 PWs) bands (ev): -19.8830 -19.8830 -19.7465 -19.7465 -19.4592 -19.4592 -19.2624 -19.2624 -13.8319 -13.8319 -11.5299 -11.5298 -10.9855 -10.9855 -10.6210 -10.6209 -7.6763 -7.6759 -7.0967 -7.0964 -6.3256 -6.3255 -6.1839 -6.1835 -5.9031 -5.9022 -5.6384 -5.6377 -5.1616 -5.1615 -4.6909 -4.6905 -3.7923 -3.7919 -3.0821 -3.0806 -2.8831 -2.8819 -2.5593 -2.5586 -1.6579 -1.6536 -1.4798 -1.4747 -1.4198 -1.4176 -0.8176 -0.8134 -0.4844 -0.4791 0.1431 0.1494 0.4882 0.4890 0.7138 0.7191 7.5936 7.5944 8.1285 8.1298 8.2650 8.2674 9.1978 9.1996 10.0812 10.0830 10.3902 10.3918 k =-0.2390 0.2322 0.3333 ( 5466 PWs) bands (ev): -19.8888 -19.8888 -19.7412 -19.7412 -19.4587 -19.4587 -19.2624 -19.2624 -13.8314 -13.8314 -11.5211 -11.5210 -10.9886 -10.9885 -10.6241 -10.6240 -7.6769 -7.6767 -7.0984 -7.0982 -6.3223 -6.3222 -6.1981 -6.1977 -5.9094 -5.9084 -5.6381 -5.6374 -5.1666 -5.1665 -4.6849 -4.6846 -3.7993 -3.7990 -3.0810 -3.0795 -2.8775 -2.8766 -2.5462 -2.5454 -1.6508 -1.6471 -1.4795 -1.4736 -1.4144 -1.4112 -0.8105 -0.8068 -0.4881 -0.4831 0.1221 0.1284 0.4950 0.4958 0.7187 0.7239 7.5288 7.5296 8.2025 8.2038 8.2902 8.2926 9.1908 9.1925 10.1278 10.1295 10.4045 10.4063 k =-0.2295 0.2229 0.3199 ( 5468 PWs) bands (ev): -19.8967 -19.8967 -19.7337 -19.7337 -19.4593 -19.4593 -19.2611 -19.2611 -13.8317 -13.8317 -11.5120 -11.5119 -10.9904 -10.9903 -10.6284 -10.6283 -7.6782 -7.6779 -7.1009 -7.1007 -6.3176 -6.3174 -6.2128 -6.2125 -5.9167 -5.9157 -5.6353 -5.6347 -5.1721 -5.1720 -4.6789 -4.6784 -3.8059 -3.8054 -3.0795 -3.0782 -2.8729 -2.8723 -2.5316 -2.5308 -1.6448 -1.6416 -1.4825 -1.4763 -1.4052 -1.4012 -0.8051 -0.8020 -0.4913 -0.4867 0.1008 0.1071 0.5028 0.5037 0.7231 0.7281 7.4609 7.4617 8.2698 8.2707 8.3295 8.3315 9.1852 9.1868 10.1741 10.1756 10.4126 10.4146 k =-0.2199 0.2136 0.3066 ( 5476 PWs) bands (ev): -19.9059 -19.9059 -19.7246 -19.7246 -19.4608 -19.4608 -19.2589 -19.2589 -13.8328 -13.8328 -11.5024 -11.5023 -10.9910 -10.9909 -10.6340 -10.6339 -7.6799 -7.6797 -7.1039 -7.1037 -6.3118 -6.3115 -6.2277 -6.2275 -5.9249 -5.9239 -5.6302 -5.6296 -5.1780 -5.1778 -4.6727 -4.6721 -3.8118 -3.8114 -3.0776 -3.0764 -2.8695 -2.8691 -2.5155 -2.5146 -1.6401 -1.6375 -1.4875 -1.4815 -1.3931 -1.3886 -0.8013 -0.7989 -0.4940 -0.4897 0.0793 0.0856 0.5116 0.5124 0.7268 0.7318 7.3914 7.3922 8.3214 8.3225 8.3897 8.3912 9.1811 9.1826 10.2195 10.2208 10.4132 10.4154 k =-0.2103 0.2043 0.2933 ( 5476 PWs) bands (ev): -19.9161 -19.9161 -19.7144 -19.7144 -19.4633 -19.4633 -19.2556 -19.2556 -13.8347 -13.8347 -11.4924 -11.4923 -10.9904 -10.9903 -10.6408 -10.6407 -7.6821 -7.6820 -7.1074 -7.1072 -6.3051 -6.3047 -6.2423 -6.2421 -5.9339 -5.9330 -5.6230 -5.6224 -5.1843 -5.1840 -4.6666 -4.6658 -3.8173 -3.8169 -3.0754 -3.0742 -2.8673 -2.8668 -2.4979 -2.4970 -1.6372 -1.6352 -1.4932 -1.4877 -1.3791 -1.3744 -0.7995 -0.7976 -0.4959 -0.4921 0.0577 0.0640 0.5211 0.5220 0.7300 0.7348 7.3214 7.3222 8.3643 8.3659 8.4626 8.4641 9.1785 9.1800 10.2634 10.2646 10.4061 10.4084 k =-0.2008 0.1951 0.2799 ( 5473 PWs) bands (ev): -19.9268 -19.9268 -19.7035 -19.7035 -19.4665 -19.4665 -19.2514 -19.2514 -13.8374 -13.8374 -11.4820 -11.4819 -10.9887 -10.9886 -10.6488 -10.6486 -7.6849 -7.6847 -7.1113 -7.1111 -6.2989 -6.2983 -6.2556 -6.2553 -5.9438 -5.9428 -5.6138 -5.6132 -5.1907 -5.1904 -4.6605 -4.6596 -3.8224 -3.8219 -3.0726 -3.0715 -2.8662 -2.8656 -2.4791 -2.4782 -1.6366 -1.6353 -1.4986 -1.4936 -1.3639 -1.3591 -0.7995 -0.7981 -0.4971 -0.4937 0.0361 0.0424 0.5314 0.5323 0.7326 0.7372 7.2517 7.2524 8.4072 8.4090 8.5390 8.5407 9.1777 9.1790 10.3054 10.3063 10.3920 10.3945 k =-0.1912 0.1858 0.2666 ( 5475 PWs) bands (ev): -19.9377 -19.9377 -19.6922 -19.6922 -19.4704 -19.4704 -19.2466 -19.2466 -13.8408 -13.8407 -11.4713 -11.4711 -10.9860 -10.9859 -10.6579 -10.6577 -7.6880 -7.6879 -7.1154 -7.1152 -6.2964 -6.2956 -6.2642 -6.2638 -5.9543 -5.9533 -5.6027 -5.6021 -5.1973 -5.1970 -4.6547 -4.6537 -3.8270 -3.8265 -3.0692 -3.0681 -2.8661 -2.8652 -2.4593 -2.4583 -1.6391 -1.6383 -1.5024 -1.4981 -1.3478 -1.3430 -0.8016 -0.8005 -0.4976 -0.4946 0.0145 0.0208 0.5423 0.5433 0.7346 0.7390 7.1827 7.1834 8.4523 8.4543 8.6162 8.6179 9.1787 9.1799 10.3441 10.3447 10.3733 10.3757 k =-0.1817 0.1765 0.2533 ( 5471 PWs) bands (ev): -19.9488 -19.9488 -19.6806 -19.6806 -19.4749 -19.4748 -19.2412 -19.2412 -13.8448 -13.8448 -11.4602 -11.4600 -10.9823 -10.9821 -10.6681 -10.6679 -7.6916 -7.6915 -7.1198 -7.1195 -6.3026 -6.3018 -6.2631 -6.2628 -5.9653 -5.9643 -5.5899 -5.5893 -5.2040 -5.2037 -4.6493 -4.6481 -3.8314 -3.8308 -3.0651 -3.0640 -2.8666 -2.8656 -2.4387 -2.4378 -1.6453 -1.6446 -1.5040 -1.5003 -1.3312 -1.3263 -0.8057 -0.8045 -0.4972 -0.4947 -0.0070 -0.0008 0.5537 0.5546 0.7359 0.7402 7.1150 7.1156 8.5001 8.5021 8.6929 8.6948 9.1816 9.1826 10.3458 10.3486 10.3846 10.3850 k =-0.1721 0.1672 0.2399 ( 5473 PWs) bands (ev): -19.9597 -19.9597 -19.6690 -19.6690 -19.4797 -19.4796 -19.2353 -19.2353 -13.8494 -13.8493 -11.4488 -11.4486 -10.9777 -10.9775 -10.6792 -10.6790 -7.6955 -7.6954 -7.1242 -7.1239 -6.3145 -6.3138 -6.2553 -6.2551 -5.9768 -5.9758 -5.5754 -5.5748 -5.2106 -5.2103 -4.6444 -4.6431 -3.8355 -3.8349 -3.0602 -3.0591 -2.8678 -2.8666 -2.4177 -2.4167 -1.6555 -1.6542 -1.5028 -1.4996 -1.3142 -1.3094 -0.8118 -0.8102 -0.4962 -0.4940 -0.0283 -0.0221 0.5654 0.5664 0.7367 0.7408 7.0490 7.0496 8.5503 8.5524 8.7687 8.7706 9.1865 9.1874 10.3195 10.3225 10.4186 10.4190 k =-0.1625 0.1579 0.2266 ( 5481 PWs) bands (ev): -19.9705 -19.9705 -19.6575 -19.6574 -19.4847 -19.4847 -19.2292 -19.2292 -13.8544 -13.8544 -11.4371 -11.4370 -10.9723 -10.9722 -10.6912 -10.6911 -7.6997 -7.6996 -7.1286 -7.1283 -6.3280 -6.3274 -6.2452 -6.2452 -5.9886 -5.9877 -5.5595 -5.5588 -5.2172 -5.2169 -4.6403 -4.6389 -3.8393 -3.8387 -3.0545 -3.0533 -2.8694 -2.8681 -2.3965 -2.3956 -1.6690 -1.6673 -1.4989 -1.4960 -1.2971 -1.2924 -0.8198 -0.8177 -0.4946 -0.4927 -0.0493 -0.0433 0.5774 0.5783 0.7370 0.7409 6.9849 6.9855 8.6029 8.6050 8.8431 8.8451 9.1935 9.1942 10.2906 10.2936 10.4508 10.4513 k =-0.1530 0.1486 0.2133 ( 5485 PWs) bands (ev): -19.9810 -19.9809 -19.6461 -19.6461 -19.4899 -19.4899 -19.2229 -19.2229 -13.8599 -13.8599 -11.4252 -11.4251 -10.9663 -10.9662 -10.7040 -10.7038 -7.7042 -7.7041 -7.1329 -7.1326 -6.3417 -6.3412 -6.2344 -6.2344 -6.0007 -5.9997 -5.5421 -5.5414 -5.2236 -5.2233 -4.6371 -4.6355 -3.8430 -3.8424 -3.0477 -3.0464 -2.8714 -2.8700 -2.3755 -2.3747 -1.6854 -1.6833 -1.4924 -1.4895 -1.2800 -1.2753 -0.8295 -0.8269 -0.4924 -0.4909 -0.0700 -0.0640 0.5895 0.5904 0.7368 0.7404 6.9232 6.9237 8.6575 8.6596 8.9156 8.9177 9.2029 9.2035 10.2603 10.2634 10.4811 10.4816 k =-0.1434 0.1393 0.2000 ( 5489 PWs) bands (ev): -19.9911 -19.9910 -19.6350 -19.6350 -19.4952 -19.4952 -19.2165 -19.2165 -13.8657 -13.8657 -11.4131 -11.4130 -10.9598 -10.9597 -10.7175 -10.7173 -7.7089 -7.7088 -7.1371 -7.1368 -6.3552 -6.3548 -6.2234 -6.2233 -6.0128 -6.0119 -5.5235 -5.5228 -5.2299 -5.2296 -4.6348 -4.6332 -3.8465 -3.8459 -3.0399 -3.0386 -2.8735 -2.8721 -2.3549 -2.3542 -1.7040 -1.7018 -1.4835 -1.4805 -1.2630 -1.2584 -0.8407 -0.8377 -0.4898 -0.4886 -0.0902 -0.0844 0.6016 0.6025 0.7361 0.7395 6.8640 6.8645 8.7137 8.7159 8.9857 8.9878 9.2151 9.2154 10.2293 10.2324 10.5097 10.5103 k =-0.1339 0.1300 0.1866 ( 5487 PWs) bands (ev): -20.0007 -20.0007 -19.6242 -19.6242 -19.5004 -19.5004 -19.2102 -19.2102 -13.8717 -13.8716 -11.4008 -11.4007 -10.9528 -10.9527 -10.7315 -10.7313 -7.7138 -7.7136 -7.1411 -7.1408 -6.3683 -6.3678 -6.2124 -6.2124 -6.0249 -6.0240 -5.5038 -5.5030 -5.2358 -5.2355 -4.6335 -4.6319 -3.8500 -3.8494 -3.0311 -3.0298 -2.8758 -2.8743 -2.3351 -2.3344 -1.7243 -1.7220 -1.4725 -1.4692 -1.2461 -1.2417 -0.8535 -0.8501 -0.4869 -0.4859 -0.1098 -0.1042 0.6136 0.6145 0.7350 0.7382 6.8076 6.8081 8.7712 8.7734 9.0525 9.0545 9.2308 9.2309 10.1980 10.2011 10.5367 10.5372 k =-0.1243 0.1208 0.1733 ( 5505 PWs) bands (ev): -20.0099 -20.0099 -19.6139 -19.6139 -19.5056 -19.5056 -19.2040 -19.2040 -13.8778 -13.8778 -11.3885 -11.3884 -10.9457 -10.9455 -10.7459 -10.7457 -7.7187 -7.7185 -7.1449 -7.1446 -6.3807 -6.3803 -6.2018 -6.2017 -6.0369 -6.0360 -5.4832 -5.4824 -5.2415 -5.2413 -4.6334 -4.6317 -3.8534 -3.8528 -3.0213 -3.0199 -2.8782 -2.8767 -2.3162 -2.3156 -1.7458 -1.7435 -1.4595 -1.4560 -1.2297 -1.2254 -0.8677 -0.8640 -0.4838 -0.4830 -0.1289 -0.1235 0.6254 0.6262 0.7335 0.7365 6.7542 6.7547 8.8294 8.8316 9.1144 9.1163 9.2512 9.2515 10.1668 10.1699 10.5608 10.5615 k =-0.1147 0.1115 0.1600 ( 5495 PWs) bands (ev): -20.0186 -20.0186 -19.6041 -19.6041 -19.5105 -19.5105 -19.1979 -19.1979 -13.8839 -13.8838 -11.3762 -11.3760 -10.9383 -10.9382 -10.7605 -10.7603 -7.7236 -7.7234 -7.1483 -7.1481 -6.3924 -6.3920 -6.1915 -6.1914 -6.0485 -6.0477 -5.4619 -5.4611 -5.2468 -5.2466 -4.6344 -4.6327 -3.8567 -3.8561 -3.0105 -3.0091 -2.8805 -2.8790 -2.2985 -2.2980 -1.7680 -1.7658 -1.4447 -1.4409 -1.2138 -1.2096 -0.8833 -0.8792 -0.4806 -0.4799 -0.1471 -0.1419 0.6368 0.6376 0.7318 0.7346 6.7040 6.7044 8.8877 8.8899 9.1688 9.1704 9.2790 9.2799 10.1360 10.1391 10.5706 10.5729 k =-0.1052 0.1022 0.1466 ( 5503 PWs) bands (ev): -20.0267 -20.0267 -19.5949 -19.5948 -19.5152 -19.5152 -19.1922 -19.1922 -13.8899 -13.8899 -11.3639 -11.3637 -10.9310 -10.9309 -10.7753 -10.7751 -7.7284 -7.7283 -7.1515 -7.1513 -6.4034 -6.4031 -6.1818 -6.1816 -6.0598 -6.0590 -5.4403 -5.4395 -5.2518 -5.2516 -4.6365 -4.6348 -3.8600 -3.8594 -2.9989 -2.9975 -2.8827 -2.8813 -2.2821 -2.2817 -1.7906 -1.7884 -1.4282 -1.4242 -1.1984 -1.1945 -0.9001 -0.8958 -0.4774 -0.4768 -0.1645 -0.1596 0.6478 0.6485 0.7299 0.7324 6.6572 6.6576 8.9453 8.9476 9.2128 9.2142 9.3169 9.3185 10.1059 10.1089 10.5409 10.5436 k =-0.0956 0.0929 0.1333 ( 5507 PWs) bands (ev): -20.0342 -20.0342 -19.5862 -19.5862 -19.5197 -19.5197 -19.1867 -19.1867 -13.8958 -13.8958 -11.3518 -11.3516 -10.9238 -10.9236 -10.7899 -10.7897 -7.7332 -7.7330 -7.1544 -7.1542 -6.4135 -6.4132 -6.1727 -6.1726 -6.0705 -6.0697 -5.4185 -5.4177 -5.2564 -5.2562 -4.6396 -4.6379 -3.8633 -3.8627 -2.9866 -2.9853 -2.8848 -2.8835 -2.2672 -2.2668 -1.8131 -1.8110 -1.4101 -1.4059 -1.1837 -1.1800 -0.9181 -0.9136 -0.4742 -0.4738 -0.1810 -0.1763 0.6582 0.6589 0.7278 0.7302 6.6139 6.6142 9.0013 9.0035 9.2479 9.2492 9.3640 9.3661 10.0766 10.0796 10.4929 10.4953 k =-0.0861 0.0836 0.1200 ( 5507 PWs) bands (ev): -20.0410 -20.0410 -19.5782 -19.5782 -19.5238 -19.5238 -19.1817 -19.1817 -13.9014 -13.9014 -11.3400 -11.3398 -10.9168 -10.9167 -10.8043 -10.8041 -7.7377 -7.7375 -7.1570 -7.1568 -6.4228 -6.4226 -6.1643 -6.1642 -6.0805 -6.0798 -5.3970 -5.3962 -5.2606 -5.2604 -4.6435 -4.6418 -3.8664 -3.8659 -2.9739 -2.9726 -2.8868 -2.8855 -2.2538 -2.2534 -1.8351 -1.8332 -1.3907 -1.3862 -1.1699 -1.1665 -0.9372 -0.9325 -0.4712 -0.4709 -0.1963 -0.1920 0.6680 0.6686 0.7257 0.7278 6.5742 6.5746 9.0544 9.0566 9.2786 9.2799 9.4160 9.4183 10.0485 10.0514 10.4384 10.4406 k =-0.0765 0.0743 0.1066 ( 5499 PWs) bands (ev): -20.0472 -20.0472 -19.5710 -19.5710 -19.5276 -19.5276 -19.1770 -19.1770 -13.9066 -13.9066 -11.3286 -11.3284 -10.9102 -10.9101 -10.8182 -10.8180 -7.7419 -7.7417 -7.1592 -7.1590 -6.4312 -6.4310 -6.1567 -6.1566 -6.0898 -6.0892 -5.3761 -5.3753 -5.2644 -5.2642 -4.6481 -4.6465 -3.8695 -3.8689 -2.9611 -2.9598 -2.8886 -2.8874 -2.2419 -2.2417 -1.8562 -1.8545 -1.3699 -1.3653 -1.1571 -1.1539 -0.9572 -0.9525 -0.4685 -0.4681 -0.2104 -0.2065 0.6771 0.6776 0.7236 0.7255 6.5384 6.5387 9.1033 9.1054 9.3085 9.3098 9.4695 9.4719 10.0218 10.0245 10.3808 10.3829 k =-0.0669 0.0650 0.0933 ( 5499 PWs) bands (ev): -20.0527 -20.0527 -19.5644 -19.5644 -19.5310 -19.5310 -19.1728 -19.1728 -13.9114 -13.9114 -11.3177 -11.3176 -10.9041 -10.9040 -10.8313 -10.8311 -7.7458 -7.7456 -7.1612 -7.1610 -6.4387 -6.4385 -6.1500 -6.1498 -6.0982 -6.0977 -5.3561 -5.3554 -5.2677 -5.2676 -4.6532 -4.6517 -3.8724 -3.8719 -2.9484 -2.9473 -2.8902 -2.8892 -2.2317 -2.2315 -1.8760 -1.8745 -1.3481 -1.3434 -1.1453 -1.1425 -0.9781 -0.9733 -0.4659 -0.4656 -0.2231 -0.2196 0.6852 0.6857 0.7216 0.7232 6.5066 6.5068 9.1468 9.1488 9.3393 9.3406 9.5232 9.5256 9.9967 9.9993 10.3219 10.3239 k =-0.0574 0.0557 0.0800 ( 5495 PWs) bands (ev): -20.0576 -20.0576 -19.5587 -19.5587 -19.5340 -19.5340 -19.1691 -19.1691 -13.9158 -13.9157 -11.3077 -11.3076 -10.8985 -10.8984 -10.8435 -10.8434 -7.7493 -7.7492 -7.1629 -7.1627 -6.4453 -6.4451 -6.1440 -6.1439 -6.1057 -6.1052 -5.3376 -5.3369 -5.2706 -5.2705 -4.6585 -4.6571 -3.8751 -3.8747 -2.9363 -2.9352 -2.8916 -2.8907 -2.2231 -2.2230 -1.8942 -1.8929 -1.3255 -1.3207 -1.1348 -1.1323 -0.9996 -0.9948 -0.4637 -0.4635 -0.2344 -0.2313 0.6925 0.6928 0.7197 0.7211 6.4787 6.4789 9.1840 9.1858 9.3711 9.3723 9.5767 9.5790 9.9735 9.9759 10.2624 10.2643 k =-0.0478 0.0464 0.0667 ( 5495 PWs) bands (ev): -20.0617 -20.0617 -19.5538 -19.5538 -19.5366 -19.5366 -19.1659 -19.1659 -13.9195 -13.9195 -11.2986 -11.2985 -10.8937 -10.8936 -10.8545 -10.8543 -7.7524 -7.7523 -7.1643 -7.1641 -6.4508 -6.4507 -6.1390 -6.1389 -6.1122 -6.1117 -5.3209 -5.3203 -5.2731 -5.2730 -4.6637 -4.6625 -3.8775 -3.8771 -2.9251 -2.9242 -2.8928 -2.8920 -2.2160 -2.2159 -1.9104 -1.9093 -1.3025 -1.2977 -1.1255 -1.1234 -1.0216 -1.0167 -0.4618 -0.4616 -0.2441 -0.2415 0.6987 0.6990 0.7181 0.7192 6.4550 6.4552 9.2148 9.2162 9.4026 9.4038 9.6303 9.6325 9.9525 9.9547 10.2029 10.2047 k =-0.0382 0.0372 0.0533 ( 5493 PWs) bands (ev): -20.0651 -20.0650 -19.5498 -19.5498 -19.5387 -19.5387 -19.1633 -19.1633 -13.9227 -13.9227 -11.2908 -11.2907 -10.8896 -10.8895 -10.8639 -10.8638 -7.7550 -7.7549 -7.1654 -7.1653 -6.4554 -6.4553 -6.1349 -6.1348 -6.1175 -6.1171 -5.3065 -5.3059 -5.2751 -5.2750 -4.6685 -4.6675 -3.8796 -3.8793 -2.9153 -2.9145 -2.8937 -2.8930 -2.2104 -2.2104 -1.9241 -1.9233 -1.2794 -1.2747 -1.1178 -1.1160 -1.0435 -1.0388 -0.4603 -0.4601 -0.2522 -0.2501 0.7038 0.7040 0.7169 0.7176 6.4355 6.4357 9.2393 9.2404 9.4320 9.4330 9.6843 9.6864 9.9343 9.9362 10.1436 10.1454 k =-0.0287 0.0279 0.0400 ( 5499 PWs) bands (ev): -20.0677 -20.0677 -19.5466 -19.5466 -19.5404 -19.5404 -19.1612 -19.1612 -13.9252 -13.9252 -11.2844 -11.2843 -10.8864 -10.8863 -10.8717 -10.8716 -7.7570 -7.7569 -7.1662 -7.1662 -6.4590 -6.4589 -6.1318 -6.1317 -6.1216 -6.1214 -5.2947 -5.2943 -5.2767 -5.2766 -4.6726 -4.6719 -3.8813 -3.8810 -2.9073 -2.9067 -2.8942 -2.8937 -2.2063 -2.2062 -1.9352 -1.9345 -1.2569 -1.2525 -1.1116 -1.1102 -1.0647 -1.0603 -0.4591 -0.4589 -0.2585 -0.2569 0.7076 0.7078 0.7161 0.7165 6.4203 6.4204 9.2579 9.2588 9.4572 9.4581 9.7390 9.7410 9.9193 9.9208 10.0845 10.0863 k =-0.0191 0.0186 0.0267 ( 5501 PWs) bands (ev): -20.0696 -20.0696 -19.5444 -19.5443 -19.5416 -19.5416 -19.1597 -19.1597 -13.9270 -13.9270 -11.2796 -11.2795 -10.8840 -10.8840 -10.8774 -10.8773 -7.7585 -7.7584 -7.1668 -7.1668 -6.4615 -6.4615 -6.1297 -6.1297 -6.1244 -6.1242 -5.2860 -5.2857 -5.2778 -5.2777 -4.6758 -4.6752 -3.8825 -3.8823 -2.9016 -2.9012 -2.8942 -2.8940 -2.2033 -2.2033 -1.9432 -1.9428 -1.2365 -1.2327 -1.1070 -1.1061 -1.0839 -1.0802 -0.4582 -0.4581 -0.2629 -0.2618 0.7100 0.7103 0.7158 0.7159 6.4094 6.4094 9.2712 9.2718 9.4766 9.4772 9.7945 9.7964 9.9081 9.9091 10.0259 10.0277 k =-0.0096 0.0093 0.0133 ( 5493 PWs) bands (ev): -20.0707 -20.0707 -19.5430 -19.5430 -19.5423 -19.5423 -19.1588 -19.1588 -13.9281 -13.9281 -11.2766 -11.2766 -10.8826 -10.8826 -10.8808 -10.8808 -7.7594 -7.7593 -7.1672 -7.1671 -6.4631 -6.4630 -6.1289 -6.1289 -6.1256 -6.1255 -5.2807 -5.2805 -5.2784 -5.2783 -4.6777 -4.6774 -3.8832 -3.8831 -2.8987 -2.8985 -2.8936 -2.8935 -2.2016 -2.2016 -1.9481 -1.9478 -1.2204 -1.2180 -1.1041 -1.1036 -1.0981 -1.0958 -0.4577 -0.4576 -0.2655 -0.2650 0.7111 0.7113 0.7160 0.7161 6.4028 6.4029 9.2792 9.2795 9.4888 9.4891 9.8506 9.8524 9.9012 9.9017 9.9680 9.9698 k = 0.0000 0.0000 0.0000 ( 5513 PWs) bands (ev): -20.0711 -20.0711 -19.5426 -19.5426 -19.5425 -19.5425 -19.1585 -19.1585 -13.9285 -13.9285 -11.2757 -11.2757 -10.8824 -10.8824 -10.8818 -10.8818 -7.7597 -7.7597 -7.1673 -7.1673 -6.4636 -6.4636 -6.1289 -6.1289 -6.1257 -6.1257 -5.2793 -5.2793 -5.2782 -5.2782 -4.6783 -4.6783 -3.8835 -3.8835 -2.8979 -2.8979 -2.8930 -2.8930 -2.2011 -2.2011 -1.9496 -1.9496 -1.2131 -1.2131 -1.1032 -1.1032 -1.1027 -1.1027 -0.4575 -0.4575 -0.2662 -0.2662 0.7114 0.7114 0.7162 0.7162 6.4006 6.4006 9.2819 9.2819 9.4930 9.4930 9.8976 9.8976 9.9003 9.9003 9.9208 9.9208 k = 0.0000 0.0000 0.0000 ( 5513 PWs) bands (ev): -20.0711 -20.0711 -19.5426 -19.5426 -19.5425 -19.5425 -19.1585 -19.1585 -13.9285 -13.9285 -11.2757 -11.2757 -10.8824 -10.8824 -10.8818 -10.8818 -7.7597 -7.7597 -7.1673 -7.1673 -6.4636 -6.4636 -6.1289 -6.1289 -6.1257 -6.1257 -5.2793 -5.2793 -5.2782 -5.2782 -4.6783 -4.6783 -3.8835 -3.8835 -2.8979 -2.8979 -2.8930 -2.8930 -2.2011 -2.2011 -1.9496 -1.9496 -1.2131 -1.2131 -1.1032 -1.1032 -1.1027 -1.1027 -0.4575 -0.4575 -0.2662 -0.2662 0.7114 0.7114 0.7162 0.7162 6.4006 6.4006 9.2819 9.2819 9.4930 9.4930 9.8976 9.8976 9.9003 9.9003 9.9208 9.9208 k = 0.0128 0.0132-0.0000 ( 5501 PWs) bands (ev): -20.0710 -20.0710 -19.5426 -19.5426 -19.5426 -19.5426 -19.1585 -19.1585 -13.9286 -13.9286 -11.2762 -11.2762 -10.8822 -10.8822 -10.8815 -10.8815 -7.7597 -7.7597 -7.1672 -7.1672 -6.4627 -6.4627 -6.1288 -6.1288 -6.1256 -6.1256 -5.2792 -5.2792 -5.2780 -5.2780 -4.6789 -4.6789 -3.8827 -3.8827 -2.8980 -2.8980 -2.8931 -2.8931 -2.2021 -2.2021 -1.9497 -1.9497 -1.2127 -1.2127 -1.1038 -1.1038 -1.1034 -1.1034 -0.4576 -0.4576 -0.2650 -0.2650 0.7113 0.7113 0.7161 0.7161 6.4012 6.4012 9.2802 9.2802 9.4908 9.4908 9.8965 9.8965 9.8992 9.8992 9.9203 9.9203 k = 0.0256 0.0264-0.0000 ( 5517 PWs) bands (ev): -20.0708 -20.0708 -19.5427 -19.5427 -19.5427 -19.5427 -19.1585 -19.1585 -13.9288 -13.9288 -11.2780 -11.2780 -10.8816 -10.8816 -10.8809 -10.8809 -7.7597 -7.7597 -7.1671 -7.1671 -6.4603 -6.4603 -6.1285 -6.1285 -6.1254 -6.1254 -5.2789 -5.2789 -5.2778 -5.2778 -4.6808 -4.6808 -3.8804 -3.8804 -2.8981 -2.8981 -2.8932 -2.8932 -2.2054 -2.2054 -1.9498 -1.9498 -1.2114 -1.2114 -1.1059 -1.1059 -1.1055 -1.1055 -0.4581 -0.4581 -0.2616 -0.2616 0.7109 0.7109 0.7158 0.7158 6.4027 6.4027 9.2752 9.2752 9.4842 9.4842 9.8932 9.8932 9.8958 9.8958 9.9188 9.9188 k = 0.0385 0.0396-0.0000 ( 5501 PWs) bands (ev): -20.0704 -20.0704 -19.5429 -19.5429 -19.5429 -19.5429 -19.1584 -19.1584 -13.9291 -13.9291 -11.2808 -11.2808 -10.8805 -10.8805 -10.8799 -10.8799 -7.7597 -7.7597 -7.1668 -7.1668 -6.4563 -6.4563 -6.1281 -6.1281 -6.1249 -6.1249 -5.2784 -5.2784 -5.2773 -5.2773 -4.6840 -4.6840 -3.8766 -3.8766 -2.8983 -2.8983 -2.8934 -2.8934 -2.2107 -2.2107 -1.9500 -1.9500 -1.2093 -1.2093 -1.1093 -1.1093 -1.1088 -1.1088 -0.4589 -0.4589 -0.2559 -0.2559 0.7103 0.7103 0.7152 0.7152 6.4053 6.4053 9.2672 9.2672 9.4733 9.4733 9.8878 9.8878 9.8904 9.8904 9.9160 9.9160 k = 0.0513 0.0528-0.0000 ( 5497 PWs) bands (ev): -20.0699 -20.0699 -19.5431 -19.5431 -19.5431 -19.5431 -19.1583 -19.1583 -13.9295 -13.9295 -11.2847 -11.2847 -10.8790 -10.8790 -10.8784 -10.8784 -7.7598 -7.7598 -7.1665 -7.1665 -6.4506 -6.4506 -6.1274 -6.1274 -6.1242 -6.1242 -5.2778 -5.2778 -5.2766 -5.2766 -4.6883 -4.6883 -3.8714 -3.8714 -2.8986 -2.8986 -2.8937 -2.8937 -2.2181 -2.2181 -1.9502 -1.9502 -1.2064 -1.2064 -1.1140 -1.1140 -1.1135 -1.1135 -0.4600 -0.4600 -0.2480 -0.2480 0.7095 0.7095 0.7143 0.7143 6.4088 6.4088 9.2563 9.2563 9.4581 9.4581 9.8806 9.8806 9.8832 9.8832 9.9118 9.9118 k = 0.0641 0.0660-0.0000 ( 5497 PWs) bands (ev): -20.0693 -20.0693 -19.5435 -19.5435 -19.5435 -19.5435 -19.1583 -19.1583 -13.9301 -13.9301 -11.2898 -11.2898 -10.8772 -10.8772 -10.8765 -10.8765 -7.7599 -7.7599 -7.1662 -7.1662 -6.4434 -6.4434 -6.1266 -6.1266 -6.1234 -6.1234 -5.2769 -5.2769 -5.2758 -5.2758 -4.6936 -4.6936 -3.8649 -3.8649 -2.8990 -2.8990 -2.8941 -2.8941 -2.2276 -2.2276 -1.9504 -1.9504 -1.2027 -1.2027 -1.1200 -1.1200 -1.1195 -1.1195 -0.4613 -0.4613 -0.2380 -0.2380 0.7084 0.7084 0.7132 0.7132 6.4134 6.4134 9.2429 9.2429 9.4388 9.4388 9.8718 9.8718 9.8743 9.8743 9.9059 9.9059 k = 0.0769 0.0792-0.0000 ( 5517 PWs) bands (ev): -20.0685 -20.0685 -19.5439 -19.5439 -19.5439 -19.5439 -19.1582 -19.1582 -13.9308 -13.9308 -11.2959 -11.2959 -10.8749 -10.8749 -10.8743 -10.8743 -7.7599 -7.7599 -7.1658 -7.1658 -6.4347 -6.4347 -6.1257 -6.1257 -6.1226 -6.1226 -5.2759 -5.2759 -5.2747 -5.2747 -4.6999 -4.6999 -3.8573 -3.8573 -2.8995 -2.8995 -2.8946 -2.8946 -2.2392 -2.2392 -1.9506 -1.9506 -1.1984 -1.1984 -1.1273 -1.1273 -1.1267 -1.1267 -0.4628 -0.4628 -0.2258 -0.2258 0.7070 0.7070 0.7118 0.7118 6.4190 6.4190 9.2273 9.2273 9.4157 9.4157 9.8617 9.8617 9.8642 9.8642 9.8982 9.8982 k = 0.0897 0.0924-0.0000 ( 5517 PWs) bands (ev): -20.0676 -20.0676 -19.5444 -19.5444 -19.5443 -19.5443 -19.1581 -19.1581 -13.9315 -13.9315 -11.3030 -11.3030 -10.8723 -10.8723 -10.8717 -10.8717 -7.7600 -7.7600 -7.1653 -7.1653 -6.4245 -6.4245 -6.1247 -6.1247 -6.1215 -6.1215 -5.2746 -5.2746 -5.2734 -5.2734 -4.7071 -4.7071 -3.8485 -3.8485 -2.9001 -2.9001 -2.8952 -2.8952 -2.2526 -2.2526 -1.9508 -1.9508 -1.1935 -1.1935 -1.1356 -1.1356 -1.1351 -1.1351 -0.4646 -0.4646 -0.2117 -0.2117 0.7053 0.7053 0.7101 0.7101 6.4255 6.4255 9.2100 9.2100 9.3891 9.3891 9.8507 9.8507 9.8531 9.8531 9.8885 9.8885 k = 0.1026 0.1056-0.0000 ( 5533 PWs) bands (ev): -20.0666 -20.0666 -19.5449 -19.5449 -19.5449 -19.5449 -19.1580 -19.1580 -13.9324 -13.9324 -11.3111 -11.3111 -10.8693 -10.8693 -10.8687 -10.8687 -7.7601 -7.7601 -7.1648 -7.1648 -6.4129 -6.4129 -6.1236 -6.1236 -6.1204 -6.1204 -5.2730 -5.2730 -5.2718 -5.2718 -4.7149 -4.7149 -3.8389 -3.8389 -2.9007 -2.9007 -2.8958 -2.8958 -2.2680 -2.2680 -1.9508 -1.9508 -1.1881 -1.1881 -1.1451 -1.1451 -1.1445 -1.1445 -0.4665 -0.4665 -0.1956 -0.1956 0.7033 0.7033 0.7081 0.7081 6.4329 6.4329 9.1908 9.1908 9.3594 9.3594 9.8391 9.8391 9.8414 9.8414 9.8768 9.8768 k = 0.1154 0.1188-0.0000 ( 5533 PWs) bands (ev): -20.0654 -20.0654 -19.5455 -19.5455 -19.5455 -19.5455 -19.1578 -19.1578 -13.9334 -13.9334 -11.3200 -11.3200 -10.8660 -10.8660 -10.8653 -10.8653 -7.7601 -7.7601 -7.1643 -7.1643 -6.3998 -6.3998 -6.1225 -6.1225 -6.1193 -6.1193 -5.2711 -5.2711 -5.2699 -5.2699 -4.7233 -4.7233 -3.8285 -3.8285 -2.9015 -2.9015 -2.8965 -2.8965 -2.2851 -2.2851 -1.9507 -1.9507 -1.1823 -1.1823 -1.1555 -1.1555 -1.1549 -1.1549 -0.4686 -0.4686 -0.1778 -0.1778 0.7010 0.7010 0.7058 0.7058 6.4411 6.4411 9.1699 9.1699 9.3274 9.3274 9.8272 9.8272 9.8294 9.8294 9.8630 9.8630 k = 0.1282 0.1320-0.0000 ( 5541 PWs) bands (ev): -20.0641 -20.0641 -19.5462 -19.5462 -19.5461 -19.5461 -19.1577 -19.1577 -13.9345 -13.9345 -11.3298 -11.3298 -10.8623 -10.8623 -10.8617 -10.8617 -7.7602 -7.7602 -7.1638 -7.1638 -6.3854 -6.3854 -6.1213 -6.1213 -6.1181 -6.1181 -5.2690 -5.2690 -5.2678 -5.2678 -4.7322 -4.7322 -3.8174 -3.8174 -2.9023 -2.9023 -2.8973 -2.8973 -2.3040 -2.3040 -1.9505 -1.9505 -1.1771 -1.1771 -1.1668 -1.1668 -1.1655 -1.1655 -0.4707 -0.4707 -0.1582 -0.1582 0.6984 0.6984 0.7032 0.7032 6.4502 6.4502 9.1469 9.1469 9.2940 9.2940 9.8153 9.8153 9.8175 9.8175 9.8472 9.8472 k = 0.1410 0.1452-0.0000 ( 5537 PWs) bands (ev): -20.0628 -20.0628 -19.5469 -19.5469 -19.5468 -19.5468 -19.1575 -19.1575 -13.9356 -13.9356 -11.3403 -11.3403 -10.8583 -10.8583 -10.8577 -10.8577 -7.7602 -7.7602 -7.1633 -7.1633 -6.3697 -6.3697 -6.1202 -6.1202 -6.1169 -6.1169 -5.2665 -5.2665 -5.2653 -5.2653 -4.7413 -4.7413 -3.8059 -3.8059 -2.9031 -2.9031 -2.8981 -2.8981 -2.3243 -2.3243 -1.9501 -1.9501 -1.1812 -1.1812 -1.1790 -1.1790 -1.1672 -1.1672 -0.4729 -0.4729 -0.1370 -0.1370 0.6954 0.6954 0.7001 0.7001 6.4601 6.4601 9.1210 9.1210 9.2606 9.2606 9.8038 9.8038 9.8059 9.8059 9.8297 9.8297 k = 0.1538 0.1584-0.0000 ( 5537 PWs) bands (ev): -20.0613 -20.0613 -19.5476 -19.5476 -19.5476 -19.5476 -19.1573 -19.1573 -13.9368 -13.9368 -11.3515 -11.3515 -10.8541 -10.8541 -10.8534 -10.8534 -7.7602 -7.7602 -7.1628 -7.1628 -6.3529 -6.3529 -6.1191 -6.1191 -6.1158 -6.1158 -5.2637 -5.2637 -5.2625 -5.2625 -4.7507 -4.7507 -3.7940 -3.7940 -2.9040 -2.9040 -2.8990 -2.8990 -2.3462 -2.3462 -1.9495 -1.9495 -1.1935 -1.1935 -1.1920 -1.1920 -1.1612 -1.1612 -0.4751 -0.4751 -0.1143 -0.1143 0.6920 0.6920 0.6968 0.6968 6.4707 6.4707 9.0910 9.0910 9.2290 9.2290 9.7928 9.7928 9.7948 9.7948 9.8105 9.8105 k = 0.1667 0.1716-0.0000 ( 5525 PWs) bands (ev): -20.0597 -20.0597 -19.5484 -19.5484 -19.5484 -19.5484 -19.1571 -19.1571 -13.9380 -13.9380 -11.3633 -11.3633 -10.8495 -10.8495 -10.8489 -10.8489 -7.7602 -7.7602 -7.1624 -7.1624 -6.3349 -6.3349 -6.1180 -6.1180 -6.1148 -6.1148 -5.2605 -5.2605 -5.2593 -5.2593 -4.7601 -4.7601 -3.7818 -3.7818 -2.9050 -2.9050 -2.9000 -2.9000 -2.3693 -2.3693 -1.9488 -1.9488 -1.2071 -1.2071 -1.2058 -1.2058 -1.1545 -1.1545 -0.4772 -0.4772 -0.0903 -0.0903 0.6883 0.6883 0.6930 0.6930 6.4820 6.4820 9.0559 9.0559 9.2010 9.2010 9.7825 9.7825 9.7844 9.7844 9.7901 9.7901 k = 0.1795 0.1848-0.0000 ( 5525 PWs) bands (ev): -20.0581 -20.0581 -19.5492 -19.5492 -19.5492 -19.5492 -19.1569 -19.1569 -13.9394 -13.9394 -11.3757 -11.3757 -10.8448 -10.8448 -10.8442 -10.8442 -7.7602 -7.7602 -7.1621 -7.1621 -6.3159 -6.3159 -6.1171 -6.1171 -6.1138 -6.1138 -5.2570 -5.2570 -5.2558 -5.2558 -4.7695 -4.7695 -3.7695 -3.7695 -2.9061 -2.9061 -2.9010 -2.9010 -2.3937 -2.3937 -1.9479 -1.9479 -1.2213 -1.2213 -1.2201 -1.2201 -1.1477 -1.1477 -0.4793 -0.4793 -0.0650 -0.0650 0.6842 0.6842 0.6889 0.6889 6.4939 6.4939 9.0151 9.0151 9.1773 9.1773 9.7679 9.7679 9.7734 9.7734 9.7754 9.7754 k = 0.1923 0.1980-0.0000 ( 5525 PWs) bands (ev): -20.0564 -20.0564 -19.5501 -19.5501 -19.5501 -19.5501 -19.1567 -19.1567 -13.9407 -13.9407 -11.3885 -11.3885 -10.8399 -10.8399 -10.8393 -10.8393 -7.7601 -7.7601 -7.1619 -7.1619 -6.2960 -6.2960 -6.1163 -6.1163 -6.1131 -6.1131 -5.2532 -5.2532 -5.2519 -5.2519 -4.7788 -4.7788 -3.7571 -3.7571 -2.9072 -2.9071 -2.9021 -2.9021 -2.4190 -2.4190 -1.9468 -1.9468 -1.2361 -1.2361 -1.2349 -1.2349 -1.1410 -1.1410 -0.4812 -0.4812 -0.0387 -0.0387 0.6797 0.6797 0.6844 0.6844 6.5063 6.5063 8.9693 8.9693 9.1582 9.1582 9.7454 9.7454 9.7653 9.7653 9.7671 9.7671 k = 0.2051 0.2112-0.0000 ( 5501 PWs) bands (ev): -20.0546 -20.0546 -19.5510 -19.5510 -19.5509 -19.5509 -19.1565 -19.1565 -13.9421 -13.9421 -11.4017 -11.4017 -10.8348 -10.8348 -10.8341 -10.8341 -7.7600 -7.7600 -7.1617 -7.1617 -6.2752 -6.2752 -6.1157 -6.1157 -6.1124 -6.1124 -5.2489 -5.2489 -5.2476 -5.2476 -4.7880 -4.7880 -3.7448 -3.7448 -2.9083 -2.9083 -2.9032 -2.9032 -2.4453 -2.4453 -1.9455 -1.9455 -1.2513 -1.2513 -1.2501 -1.2501 -1.1344 -1.1344 -0.4830 -0.4830 -0.0115 -0.0115 0.6749 0.6749 0.6796 0.6796 6.5191 6.5191 8.9194 8.9194 9.1431 9.1431 9.7221 9.7221 9.7584 9.7584 9.7601 9.7601 k = 0.2179 0.2243-0.0000 ( 5501 PWs) bands (ev): -20.0528 -20.0528 -19.5519 -19.5519 -19.5518 -19.5518 -19.1562 -19.1562 -13.9435 -13.9435 -11.4152 -11.4152 -10.8295 -10.8295 -10.8289 -10.8289 -7.7599 -7.7599 -7.1617 -7.1617 -6.2537 -6.2537 -6.1153 -6.1153 -6.1119 -6.1119 -5.2443 -5.2443 -5.2430 -5.2430 -4.7969 -4.7969 -3.7327 -3.7327 -2.9095 -2.9095 -2.9044 -2.9044 -2.4723 -2.4723 -1.9440 -1.9440 -1.2667 -1.2667 -1.2656 -1.2656 -1.1280 -1.1280 -0.4846 -0.4846 0.0166 0.0166 0.6697 0.6697 0.6744 0.6744 6.5323 6.5323 8.8665 8.8665 9.1314 9.1314 9.6984 9.6984 9.7528 9.7528 9.7545 9.7545 k = 0.2308 0.2375-0.0000 ( 5509 PWs) bands (ev): -20.0510 -20.0510 -19.5528 -19.5528 -19.5528 -19.5528 -19.1560 -19.1560 -13.9449 -13.9449 -11.4288 -11.4288 -10.8242 -10.8242 -10.8236 -10.8236 -7.7598 -7.7598 -7.1618 -7.1618 -6.2316 -6.2316 -6.1150 -6.1150 -6.1117 -6.1117 -5.2393 -5.2393 -5.2381 -5.2381 -4.8056 -4.8056 -3.7207 -3.7207 -2.9107 -2.9107 -2.9056 -2.9056 -2.4999 -2.4999 -1.9425 -1.9425 -1.2824 -1.2824 -1.2812 -1.2812 -1.1220 -1.1220 -0.4859 -0.4859 0.0452 0.0452 0.6642 0.6642 0.6689 0.6689 6.5457 6.5457 8.8115 8.8115 9.1229 9.1229 9.6743 9.6743 9.7486 9.7486 9.7502 9.7502 k = 0.2436 0.2507-0.0000 ( 5493 PWs) bands (ev): -20.0491 -20.0491 -19.5537 -19.5537 -19.5537 -19.5537 -19.1558 -19.1558 -13.9463 -13.9463 -11.4426 -11.4426 -10.8188 -10.8188 -10.8182 -10.8182 -7.7596 -7.7596 -7.1620 -7.1620 -6.2090 -6.2090 -6.1150 -6.1150 -6.1116 -6.1116 -5.2341 -5.2340 -5.2328 -5.2328 -4.8139 -4.8139 -3.7090 -3.7090 -2.9119 -2.9119 -2.9069 -2.9069 -2.5280 -2.5280 -1.9407 -1.9407 -1.2981 -1.2981 -1.2969 -1.2969 -1.1164 -1.1164 -0.4869 -0.4869 0.0742 0.0742 0.6585 0.6585 0.6631 0.6631 6.5594 6.5594 8.7552 8.7552 9.1171 9.1171 9.6503 9.6503 9.7458 9.7458 9.7473 9.7473 k = 0.2564 0.2639-0.0000 ( 5501 PWs) bands (ev): -20.0472 -20.0472 -19.5547 -19.5547 -19.5546 -19.5546 -19.1556 -19.1556 -13.9477 -13.9477 -11.4563 -11.4563 -10.8134 -10.8134 -10.8128 -10.8128 -7.7595 -7.7595 -7.1623 -7.1623 -6.1860 -6.1860 -6.1151 -6.1151 -6.1118 -6.1118 -5.2285 -5.2285 -5.2272 -5.2272 -4.8219 -4.8219 -3.6976 -3.6976 -2.9132 -2.9132 -2.9081 -2.9081 -2.5563 -2.5563 -1.9389 -1.9389 -1.3137 -1.3137 -1.3127 -1.3126 -1.1113 -1.1113 -0.4876 -0.4876 0.1035 0.1035 0.6525 0.6525 0.6571 0.6571 6.5731 6.5731 8.6981 8.6981 9.1139 9.1139 9.6265 9.6265 9.7444 9.7444 9.7458 9.7458 k = 0.2692 0.2771-0.0000 ( 5501 PWs) bands (ev): -20.0454 -20.0454 -19.5556 -19.5556 -19.5556 -19.5556 -19.1553 -19.1553 -13.9490 -13.9490 -11.4700 -11.4700 -10.8080 -10.8080 -10.8074 -10.8074 -7.7593 -7.7593 -7.1627 -7.1627 -6.1629 -6.1629 -6.1155 -6.1155 -6.1121 -6.1121 -5.2227 -5.2227 -5.2214 -5.2214 -4.8295 -4.8295 -3.6866 -3.6866 -2.9145 -2.9145 -2.9094 -2.9094 -2.5847 -2.5847 -1.9369 -1.9369 -1.3293 -1.3293 -1.3282 -1.3282 -1.1066 -1.1066 -0.4879 -0.4879 0.1329 0.1329 0.6463 0.6463 0.6509 0.6509 6.5869 6.5869 8.6408 8.6408 9.1132 9.1132 9.6030 9.6030 9.7443 9.7443 9.7456 9.7456 k = 0.2821 0.2903-0.0000 ( 5509 PWs) bands (ev): -20.0436 -20.0436 -19.5565 -19.5565 -19.5565 -19.5565 -19.1551 -19.1551 -13.9504 -13.9504 -11.4835 -11.4835 -10.8026 -10.8026 -10.8020 -10.8020 -7.7590 -7.7590 -7.1633 -7.1633 -6.1396 -6.1396 -6.1160 -6.1160 -6.1127 -6.1127 -5.2166 -5.2166 -5.2154 -5.2154 -4.8368 -4.8368 -3.6760 -3.6760 -2.9158 -2.9158 -2.9107 -2.9107 -2.6132 -2.6132 -1.9348 -1.9348 -1.3446 -1.3446 -1.3436 -1.3436 -1.1025 -1.1025 -0.4880 -0.4880 0.1621 0.1621 0.6399 0.6399 0.6445 0.6445 6.6007 6.6007 8.5838 8.5838 9.1148 9.1148 9.5801 9.5801 9.7455 9.7455 9.7468 9.7468 k = 0.2949 0.3035-0.0000 ( 5509 PWs) bands (ev): -20.0417 -20.0417 -19.5574 -19.5574 -19.5574 -19.5574 -19.1549 -19.1549 -13.9517 -13.9517 -11.4968 -11.4968 -10.7973 -10.7973 -10.7967 -10.7967 -7.7588 -7.7588 -7.1639 -7.1639 -6.1170 -6.1170 -6.1161 -6.1161 -6.1134 -6.1134 -5.2104 -5.2104 -5.2092 -5.2092 -4.8436 -4.8436 -3.6658 -3.6658 -2.9171 -2.9171 -2.9120 -2.9120 -2.6414 -2.6414 -1.9327 -1.9327 -1.3596 -1.3596 -1.3586 -1.3586 -1.0990 -1.0990 -0.4876 -0.4876 0.1911 0.1911 0.6335 0.6335 0.6381 0.6381 6.6142 6.6142 8.5275 8.5275 9.1187 9.1187 9.5579 9.5579 9.7479 9.7479 9.7491 9.7491 k = 0.3077 0.3167-0.0000 ( 5493 PWs) bands (ev): -20.0399 -20.0399 -19.5583 -19.5583 -19.5583 -19.5583 -19.1547 -19.1547 -13.9529 -13.9529 -11.5097 -11.5097 -10.7921 -10.7921 -10.7915 -10.7915 -7.7585 -7.7585 -7.1646 -7.1646 -6.1176 -6.1176 -6.1142 -6.1142 -6.0933 -6.0933 -5.2041 -5.2040 -5.2028 -5.2028 -4.8499 -4.8499 -3.6561 -3.6561 -2.9183 -2.9183 -2.9133 -2.9133 -2.6692 -2.6692 -1.9305 -1.9305 -1.3742 -1.3742 -1.3733 -1.3732 -1.0959 -1.0959 -0.4870 -0.4870 0.2196 0.2196 0.6271 0.6271 0.6316 0.6316 6.6276 6.6276 8.4722 8.4722 9.1248 9.1248 9.5365 9.5365 9.7515 9.7515 9.7526 9.7526 k = 0.3205 0.3299-0.0000 ( 5509 PWs) bands (ev): -20.0382 -20.0382 -19.5592 -19.5592 -19.5592 -19.5592 -19.1545 -19.1545 -13.9541 -13.9541 -11.5222 -11.5222 -10.7871 -10.7871 -10.7865 -10.7865 -7.7583 -7.7583 -7.1655 -7.1655 -6.1187 -6.1187 -6.1153 -6.1153 -6.0707 -6.0707 -5.1977 -5.1977 -5.1965 -5.1965 -4.8559 -4.8559 -3.6469 -3.6469 -2.9196 -2.9196 -2.9146 -2.9146 -2.6964 -2.6964 -1.9283 -1.9283 -1.3883 -1.3883 -1.3874 -1.3874 -1.0934 -1.0934 -0.4860 -0.4860 0.2473 0.2473 0.6206 0.6206 0.6251 0.6251 6.6407 6.6407 8.4184 8.4184 9.1329 9.1329 9.5162 9.5162 9.7560 9.7560 9.7570 9.7570 k = 0.3333 0.3431-0.0000 ( 5517 PWs) bands (ev): -20.0366 -20.0366 -19.5600 -19.5600 -19.5600 -19.5600 -19.1543 -19.1543 -13.9553 -13.9553 -11.5342 -11.5342 -10.7822 -10.7822 -10.7816 -10.7816 -7.7580 -7.7580 -7.1663 -7.1663 -6.1199 -6.1199 -6.1164 -6.1164 -6.0485 -6.0485 -5.1913 -5.1913 -5.1901 -5.1901 -4.8614 -4.8614 -3.6381 -3.6381 -2.9209 -2.9209 -2.9159 -2.9159 -2.7229 -2.7229 -1.9261 -1.9261 -1.4019 -1.4019 -1.4010 -1.4010 -1.0914 -1.0914 -0.4848 -0.4848 0.2742 0.2742 0.6142 0.6142 0.6187 0.6187 6.6534 6.6534 8.3664 8.3664 9.1429 9.1429 9.4970 9.4970 9.7613 9.7613 9.7623 9.7623 k = 0.3462 0.3563-0.0000 ( 5525 PWs) bands (ev): -20.0350 -20.0350 -19.5608 -19.5608 -19.5608 -19.5608 -19.1542 -19.1542 -13.9563 -13.9563 -11.5457 -11.5457 -10.7776 -10.7776 -10.7770 -10.7770 -7.7577 -7.7577 -7.1672 -7.1672 -6.1211 -6.1211 -6.1177 -6.1177 -6.0271 -6.0271 -5.1850 -5.1850 -5.1838 -5.1838 -4.8665 -4.8665 -3.6299 -3.6299 -2.9221 -2.9221 -2.9171 -2.9171 -2.7485 -2.7485 -1.9239 -1.9239 -1.4147 -1.4147 -1.4139 -1.4139 -1.0899 -1.0899 -0.4833 -0.4833 0.3000 0.3000 0.6080 0.6080 0.6125 0.6125 6.6657 6.6657 8.3166 8.3166 9.1545 9.1545 9.4792 9.4792 9.7673 9.7673 9.7683 9.7683 k = 0.3590 0.3695-0.0000 ( 5525 PWs) bands (ev): -20.0335 -20.0335 -19.5616 -19.5616 -19.5615 -19.5615 -19.1540 -19.1540 -13.9573 -13.9573 -11.5565 -11.5565 -10.7731 -10.7731 -10.7726 -10.7726 -7.7574 -7.7574 -7.1681 -7.1681 -6.1224 -6.1224 -6.1190 -6.1190 -6.0066 -6.0066 -5.1789 -5.1789 -5.1777 -5.1777 -4.8712 -4.8712 -3.6222 -3.6222 -2.9232 -2.9232 -2.9183 -2.9183 -2.7730 -2.7730 -1.9218 -1.9218 -1.4269 -1.4269 -1.4261 -1.4261 -1.0888 -1.0888 -0.4816 -0.4816 0.3245 0.3245 0.6020 0.6020 0.6065 0.6065 6.6774 6.6774 8.2692 8.2692 9.1677 9.1677 9.4629 9.4629 9.7525 9.7525 9.7741 9.7741 k = 0.3718 0.3827-0.0000 ( 5497 PWs) bands (ev): -20.0321 -20.0321 -19.5622 -19.5622 -19.5622 -19.5622 -19.1538 -19.1538 -13.9582 -13.9582 -11.5665 -11.5665 -10.7690 -10.7690 -10.7684 -10.7684 -7.7571 -7.7571 -7.1690 -7.1690 -6.1237 -6.1237 -6.1203 -6.1203 -5.9871 -5.9871 -5.1729 -5.1729 -5.1718 -5.1718 -4.8755 -4.8755 -3.6151 -3.6151 -2.9243 -2.9243 -2.9194 -2.9194 -2.7962 -2.7962 -1.9197 -1.9197 -1.4382 -1.4382 -1.4375 -1.4375 -1.0880 -1.0880 -0.4798 -0.4798 0.3477 0.3477 0.5963 0.5963 0.6007 0.6007 6.6886 6.6886 8.2246 8.2246 9.1821 9.1821 9.4484 9.4484 9.7248 9.7248 9.7810 9.7810 k = 0.3846 0.3959-0.0000 ( 5497 PWs) bands (ev): -20.0308 -20.0308 -19.5629 -19.5629 -19.5629 -19.5629 -19.1537 -19.1537 -13.9591 -13.9591 -11.5759 -11.5759 -10.7651 -10.7651 -10.7646 -10.7646 -7.7569 -7.7569 -7.1699 -7.1699 -6.1250 -6.1250 -6.1216 -6.1216 -5.9688 -5.9688 -5.1673 -5.1673 -5.1662 -5.1662 -4.8794 -4.8794 -3.6085 -3.6085 -2.9254 -2.9254 -2.9204 -2.9204 -2.8179 -2.8179 -1.9177 -1.9177 -1.4486 -1.4486 -1.4480 -1.4480 -1.0875 -1.0875 -0.4780 -0.4780 0.3691 0.3691 0.5909 0.5909 0.5953 0.5953 6.6991 6.6991 8.1831 8.1831 9.1973 9.1973 9.4359 9.4359 9.6975 9.6975 9.7880 9.7880 k = 0.3974 0.4091-0.0000 ( 5497 PWs) bands (ev): -20.0296 -20.0296 -19.5635 -19.5635 -19.5634 -19.5634 -19.1536 -19.1536 -13.9599 -13.9599 -11.5844 -11.5844 -10.7616 -10.7616 -10.7610 -10.7610 -7.7566 -7.7566 -7.1708 -7.1708 -6.1263 -6.1263 -6.1228 -6.1228 -5.9519 -5.9519 -5.1621 -5.1621 -5.1610 -5.1610 -4.8828 -4.8828 -3.6025 -3.6025 -2.9263 -2.9263 -2.9214 -2.9214 -2.8379 -2.8379 -1.9159 -1.9159 -1.4582 -1.4582 -1.4576 -1.4576 -1.0873 -1.0873 -0.4761 -0.4761 0.3889 0.3889 0.5859 0.5859 0.5903 0.5903 6.7088 6.7088 8.1451 8.1451 9.2129 9.2129 9.4256 9.4256 9.6707 9.6707 9.7950 9.7950 k = 0.4103 0.4223-0.0000 ( 5489 PWs) bands (ev): -20.0285 -20.0285 -19.5640 -19.5640 -19.5640 -19.5640 -19.1534 -19.1534 -13.9605 -13.9605 -11.5920 -11.5920 -10.7585 -10.7585 -10.7579 -10.7579 -7.7564 -7.7564 -7.1716 -7.1716 -6.1275 -6.1275 -6.1240 -6.1240 -5.9365 -5.9365 -5.1573 -5.1573 -5.1562 -5.1562 -4.8859 -4.8859 -3.5972 -3.5972 -2.9272 -2.9272 -2.9223 -2.9223 -2.8561 -2.8561 -1.9142 -1.9142 -1.4667 -1.4667 -1.4662 -1.4662 -1.0873 -1.0873 -0.4743 -0.4743 0.4067 0.4067 0.5814 0.5814 0.5857 0.5857 6.7176 6.7176 8.1107 8.1107 9.2284 9.2284 9.4181 9.4181 9.6443 9.6443 9.8018 9.8018 k = 0.4231 0.4355-0.0000 ( 5489 PWs) bands (ev): -20.0275 -20.0275 -19.5645 -19.5645 -19.5644 -19.5644 -19.1533 -19.1533 -13.9611 -13.9611 -11.5987 -11.5987 -10.7557 -10.7557 -10.7551 -10.7551 -7.7562 -7.7562 -7.1724 -7.1724 -6.1286 -6.1286 -6.1252 -6.1252 -5.9228 -5.9228 -5.1530 -5.1530 -5.1519 -5.1519 -4.8885 -4.8885 -3.5925 -3.5925 -2.9280 -2.9280 -2.9231 -2.9231 -2.8722 -2.8722 -1.9127 -1.9127 -1.4742 -1.4742 -1.4738 -1.4737 -1.0875 -1.0875 -0.4726 -0.4726 0.4224 0.4224 0.5773 0.5773 0.5817 0.5817 6.7256 6.7256 8.0802 8.0802 9.2431 9.2431 9.4139 9.4139 9.6184 9.6184 9.8081 9.8081 k = 0.4359 0.4487-0.0000 ( 5489 PWs) bands (ev): -20.0267 -20.0267 -19.5649 -19.5649 -19.5648 -19.5648 -19.1532 -19.1532 -13.9616 -13.9616 -11.6045 -11.6045 -10.7533 -10.7533 -10.7527 -10.7527 -7.7560 -7.7560 -7.1730 -7.1730 -6.1296 -6.1296 -6.1261 -6.1261 -5.9110 -5.9110 -5.1492 -5.1492 -5.1482 -5.1482 -4.8908 -4.8908 -3.5884 -3.5884 -2.9287 -2.9287 -2.9238 -2.9238 -2.8862 -2.8862 -1.9114 -1.9114 -1.4806 -1.4806 -1.4802 -1.4802 -1.0877 -1.0877 -0.4711 -0.4711 0.4359 0.4359 0.5738 0.5738 0.5781 0.5781 6.7325 6.7325 8.0540 8.0540 9.2561 9.2561 9.4136 9.4136 9.5929 9.5929 9.8139 9.8139 k = 0.4487 0.4619-0.0000 ( 5501 PWs) bands (ev): -20.0260 -20.0260 -19.5652 -19.5652 -19.5652 -19.5652 -19.1532 -19.1532 -13.9621 -13.9621 -11.6092 -11.6092 -10.7513 -10.7513 -10.7507 -10.7507 -7.7559 -7.7559 -7.1736 -7.1736 -6.1304 -6.1304 -6.1270 -6.1270 -5.9011 -5.9011 -5.1461 -5.1461 -5.1450 -5.1450 -4.8926 -4.8926 -3.5851 -3.5851 -2.9293 -2.9293 -2.9244 -2.9244 -2.8978 -2.8978 -1.9103 -1.9103 -1.4859 -1.4859 -1.4856 -1.4856 -1.0879 -1.0879 -0.4698 -0.4698 0.4471 0.4471 0.5709 0.5709 0.5752 0.5752 6.7383 6.7383 8.0321 8.0321 9.2668 9.2668 9.4177 9.4177 9.5678 9.5678 9.8188 9.8188 k = 0.4615 0.4751-0.0000 ( 5505 PWs) bands (ev): -20.0255 -20.0255 -19.5655 -19.5655 -19.5654 -19.5654 -19.1532 -19.1532 -13.9624 -13.9624 -11.6130 -11.6130 -10.7497 -10.7497 -10.7492 -10.7492 -7.7558 -7.7558 -7.1741 -7.1741 -6.1311 -6.1311 -6.1277 -6.1277 -5.8933 -5.8933 -5.1436 -5.1436 -5.1426 -5.1426 -4.8940 -4.8940 -3.5824 -3.5824 -2.9298 -2.9298 -2.9248 -2.9248 -2.9070 -2.9070 -1.9094 -1.9094 -1.4901 -1.4900 -1.4898 -1.4898 -1.0882 -1.0882 -0.4687 -0.4687 0.4559 0.4559 0.5686 0.5686 0.5729 0.5729 6.7429 6.7429 8.0149 8.0149 9.2747 9.2747 9.4265 9.4265 9.5434 9.5434 9.8228 9.8228 k = 0.4744 0.4883-0.0000 ( 5505 PWs) bands (ev): -20.0251 -20.0251 -19.5657 -19.5657 -19.5656 -19.5656 -19.1531 -19.1531 -13.9627 -13.9627 -11.6156 -11.6156 -10.7486 -10.7486 -10.7480 -10.7480 -7.7557 -7.7557 -7.1744 -7.1744 -6.1316 -6.1316 -6.1282 -6.1282 -5.8877 -5.8877 -5.1418 -5.1418 -5.1408 -5.1408 -4.8950 -4.8950 -3.5805 -3.5805 -2.9302 -2.9302 -2.9251 -2.9251 -2.9136 -2.9136 -1.9088 -1.9088 -1.4930 -1.4930 -1.4929 -1.4929 -1.0883 -1.0883 -0.4679 -0.4679 0.4623 0.4623 0.5669 0.5669 0.5712 0.5712 6.7462 6.7462 8.0025 8.0025 9.2798 9.2798 9.4395 9.4395 9.5197 9.5197 9.8257 9.8257 k = 0.4872 0.5015-0.0000 ( 5518 PWs) bands (ev): -20.0249 -20.0249 -19.5658 -19.5658 -19.5657 -19.5657 -19.1531 -19.1531 -13.9628 -13.9628 -11.6173 -11.6173 -10.7480 -10.7480 -10.7474 -10.7474 -7.7556 -7.7556 -7.1746 -7.1746 -6.1319 -6.1319 -6.1285 -6.1285 -5.8843 -5.8843 -5.1408 -5.1408 -5.1397 -5.1397 -4.8957 -4.8957 -3.5794 -3.5794 -2.9305 -2.9305 -2.9253 -2.9253 -2.9176 -2.9176 -1.9084 -1.9084 -1.4948 -1.4948 -1.4947 -1.4947 -1.0885 -1.0885 -0.4675 -0.4675 0.4661 0.4661 0.5659 0.5659 0.5701 0.5701 6.7482 6.7482 7.9950 7.9950 9.2826 9.2826 9.4559 9.4559 9.4972 9.4972 9.8275 9.8275 k = 0.5000 0.5147-0.0000 ( 5498 PWs) bands (ev): -20.0248 -20.0248 -19.5658 -19.5658 -19.5658 -19.5658 -19.1531 -19.1531 -13.9628 -13.9628 -11.6178 -11.6178 -10.7477 -10.7477 -10.7471 -10.7471 -7.7556 -7.7556 -7.1747 -7.1747 -6.1320 -6.1320 -6.1285 -6.1285 -5.8832 -5.8832 -5.1404 -5.1404 -5.1393 -5.1393 -4.8959 -4.8959 -3.5790 -3.5790 -2.9306 -2.9306 -2.9254 -2.9254 -2.9189 -2.9189 -1.9083 -1.9083 -1.4954 -1.4954 -1.4953 -1.4953 -1.0885 -1.0885 -0.4673 -0.4673 0.4674 0.4674 0.5656 0.5656 0.5698 0.5698 6.7489 6.7489 7.9925 7.9925 9.2835 9.2835 9.4717 9.4717 9.4795 9.4795 9.8282 9.8282 k = 0.5000 0.5147-0.0000 ( 5498 PWs) bands (ev): -20.0248 -20.0248 -19.5658 -19.5658 -19.5658 -19.5658 -19.1531 -19.1531 -13.9628 -13.9628 -11.6178 -11.6178 -10.7477 -10.7477 -10.7471 -10.7471 -7.7556 -7.7556 -7.1747 -7.1747 -6.1320 -6.1320 -6.1285 -6.1285 -5.8832 -5.8832 -5.1404 -5.1404 -5.1393 -5.1393 -4.8959 -4.8959 -3.5790 -3.5790 -2.9306 -2.9306 -2.9254 -2.9254 -2.9189 -2.9189 -1.9083 -1.9083 -1.4954 -1.4954 -1.4953 -1.4953 -1.0885 -1.0885 -0.4673 -0.4673 0.4674 0.4674 0.5656 0.5656 0.5698 0.5698 6.7489 6.7489 7.9925 7.9925 9.2835 9.2835 9.4717 9.4717 9.4795 9.4795 9.8282 9.8282 k = 0.4910 0.5235 0.0126 ( 5510 PWs) bands (ev): -20.0245 -20.0245 -19.5662 -19.5662 -19.5656 -19.5656 -19.1533 -19.1533 -13.9625 -13.9625 -11.6177 -11.6177 -10.7482 -10.7482 -10.7469 -10.7469 -7.7553 -7.7553 -7.1745 -7.1744 -6.1323 -6.1323 -6.1288 -6.1287 -5.8832 -5.8832 -5.1423 -5.1420 -5.1398 -5.1397 -4.8948 -4.8945 -3.5794 -3.5794 -2.9403 -2.9371 -2.9284 -2.9276 -2.9090 -2.9068 -1.9078 -1.9073 -1.4964 -1.4954 -1.4950 -1.4947 -1.0882 -1.0874 -0.4673 -0.4670 0.4664 0.4674 0.5650 0.5660 0.5697 0.5699 6.7512 6.7512 7.9919 7.9920 9.2795 9.2797 9.4719 9.4721 9.4786 9.4788 9.8294 9.8295 k = 0.4819 0.5323 0.0252 ( 5504 PWs) bands (ev): -20.0236 -20.0236 -19.5675 -19.5675 -19.5648 -19.5648 -19.1541 -19.1541 -13.9613 -13.9613 -11.6176 -11.6176 -10.7501 -10.7501 -10.7456 -10.7456 -7.7545 -7.7543 -7.1737 -7.1736 -6.1337 -6.1337 -6.1289 -6.1287 -5.8833 -5.8832 -5.1486 -5.1482 -5.1399 -5.1398 -4.8914 -4.8908 -3.5806 -3.5805 -2.9532 -2.9499 -2.9297 -2.9292 -2.8939 -2.8918 -1.9058 -1.9048 -1.4984 -1.4964 -1.4938 -1.4932 -1.0866 -1.0850 -0.4670 -0.4664 0.4644 0.4664 0.5642 0.5655 0.5698 0.5705 6.7579 6.7579 7.9904 7.9906 9.2679 9.2683 9.4725 9.4730 9.4765 9.4769 9.8331 9.8333 k = 0.4729 0.5410 0.0378 ( 5504 PWs) bands (ev): -20.0220 -20.0220 -19.5696 -19.5696 -19.5637 -19.5637 -19.1554 -19.1554 -13.9595 -13.9595 -11.6173 -11.6173 -10.7535 -10.7534 -10.7433 -10.7433 -7.7530 -7.7528 -7.1725 -7.1723 -6.1368 -6.1366 -6.1284 -6.1281 -5.8834 -5.8833 -5.1589 -5.1584 -5.1399 -5.1397 -4.8860 -4.8851 -3.5826 -3.5824 -2.9657 -2.9624 -2.9317 -2.9314 -2.8780 -2.8759 -1.9023 -1.9008 -1.5013 -1.4984 -1.4916 -1.4907 -1.0837 -1.0813 -0.4665 -0.4655 0.4616 0.4644 0.5626 0.5638 0.5703 0.5722 6.7690 6.7691 7.9879 7.9881 9.2494 9.2500 9.4712 9.4716 9.4761 9.4764 9.8393 9.8395 k = 0.4638 0.5498 0.0504 ( 5504 PWs) bands (ev): -20.0197 -20.0197 -19.5726 -19.5726 -19.5621 -19.5621 -19.1572 -19.1572 -13.9569 -13.9569 -11.6170 -11.6169 -10.7581 -10.7580 -10.7402 -10.7401 -7.7510 -7.7508 -7.1708 -7.1706 -6.1413 -6.1411 -6.1273 -6.1269 -5.8836 -5.8835 -5.1726 -5.1721 -5.1399 -5.1397 -4.8789 -4.8778 -3.5854 -3.5852 -2.9776 -2.9742 -2.9345 -2.9342 -2.8616 -2.8596 -1.8975 -1.8955 -1.5050 -1.5012 -1.4886 -1.4875 -1.0795 -1.0764 -0.4657 -0.4644 0.4577 0.4613 0.5600 0.5610 0.5718 0.5747 6.7846 6.7847 7.9845 7.9848 9.2248 9.2255 9.4664 9.4669 9.4787 9.4791 9.8478 9.8481 k = 0.4548 0.5586 0.0630 ( 5498 PWs) bands (ev): -20.0169 -20.0169 -19.5764 -19.5764 -19.5600 -19.5600 -19.1594 -19.1594 -13.9536 -13.9536 -11.6165 -11.6165 -10.7639 -10.7638 -10.7362 -10.7361 -7.7485 -7.7482 -7.1686 -7.1683 -6.1470 -6.1468 -6.1257 -6.1253 -5.8838 -5.8837 -5.1893 -5.1887 -5.1398 -5.1396 -4.8706 -4.8692 -3.5889 -3.5887 -2.9888 -2.9853 -2.9378 -2.9374 -2.8448 -2.8429 -1.8913 -1.8888 -1.5094 -1.5048 -1.4848 -1.4834 -1.0741 -1.0704 -0.4646 -0.4630 0.4530 0.4572 0.5565 0.5575 0.5740 0.5779 6.8045 6.8047 7.9804 7.9807 9.1948 9.1956 9.4601 9.4608 9.4828 9.4834 9.8585 9.8589 k = 0.4457 0.5674 0.0756 ( 5508 PWs) bands (ev): -20.0134 -20.0134 -19.5810 -19.5810 -19.5575 -19.5575 -19.1622 -19.1622 -13.9497 -13.9496 -11.6159 -11.6158 -10.7708 -10.7708 -10.7315 -10.7314 -7.7455 -7.7451 -7.1660 -7.1657 -6.1540 -6.1537 -6.1239 -6.1234 -5.8842 -5.8840 -5.2085 -5.2079 -5.1398 -5.1396 -4.8613 -4.8598 -3.5933 -3.5931 -2.9993 -2.9957 -2.9415 -2.9410 -2.8277 -2.8260 -1.8838 -1.8809 -1.5142 -1.5090 -1.4804 -1.4788 -1.0676 -1.0633 -0.4634 -0.4615 0.4474 0.4521 0.5523 0.5532 0.5770 0.5815 6.8287 6.8289 7.9755 7.9760 9.1602 9.1611 9.4526 9.4535 9.4883 9.4890 9.8714 9.8717 k = 0.4367 0.5762 0.0882 ( 5508 PWs) bands (ev): -20.0093 -20.0093 -19.5864 -19.5864 -19.5546 -19.5545 -19.1654 -19.1654 -13.9451 -13.9451 -11.6151 -11.6150 -10.7789 -10.7788 -10.7260 -10.7260 -7.7421 -7.7417 -7.1630 -7.1626 -6.1619 -6.1616 -6.1218 -6.1212 -5.8845 -5.8843 -5.2298 -5.2292 -5.1397 -5.1395 -4.8514 -4.8498 -3.5985 -3.5982 -3.0092 -3.0055 -2.9453 -2.9446 -2.8105 -2.8090 -1.8752 -1.8719 -1.5194 -1.5135 -1.4754 -1.4735 -1.0600 -1.0553 -0.4620 -0.4598 0.4409 0.4460 0.5474 0.5483 0.5807 0.5857 6.8570 6.8573 7.9702 7.9707 9.1216 9.1226 9.4442 9.4452 9.4953 9.4962 9.8862 9.8866 k = 0.4277 0.5850 0.1009 ( 5504 PWs) bands (ev): -20.0047 -20.0047 -19.5925 -19.5925 -19.5512 -19.5512 -19.1690 -19.1690 -13.9400 -13.9400 -11.6141 -11.6141 -10.7879 -10.7878 -10.7200 -10.7199 -7.7383 -7.7378 -7.1595 -7.1591 -6.1708 -6.1705 -6.1195 -6.1188 -5.8849 -5.8847 -5.2528 -5.2522 -5.1396 -5.1394 -4.8411 -4.8394 -3.6045 -3.6042 -3.0184 -3.0147 -2.9491 -2.9482 -2.7934 -2.7919 -1.8656 -1.8619 -1.5247 -1.5183 -1.4700 -1.4679 -1.0516 -1.0463 -0.4605 -0.4580 0.4335 0.4389 0.5419 0.5429 0.5850 0.5904 6.8894 6.8896 7.9644 7.9650 9.0795 9.0805 9.4348 9.4360 9.5040 9.5050 9.9028 9.9032 k = 0.4186 0.5937 0.1135 ( 5502 PWs) bands (ev): -19.9995 -19.9995 -19.5993 -19.5993 -19.5475 -19.5474 -19.1731 -19.1731 -13.9344 -13.9344 -11.6129 -11.6129 -10.7977 -10.7976 -10.7134 -10.7133 -7.7342 -7.7337 -7.1557 -7.1553 -6.1805 -6.1801 -6.1170 -6.1163 -5.8854 -5.8851 -5.2772 -5.2766 -5.1394 -5.1392 -4.8306 -4.8289 -3.6112 -3.6109 -3.0270 -3.0233 -2.9525 -2.9515 -2.7764 -2.7751 -1.8552 -1.8511 -1.5299 -1.5231 -1.4643 -1.4619 -1.0422 -1.0366 -0.4590 -0.4561 0.4253 0.4309 0.5360 0.5370 0.5898 0.5956 6.9257 6.9259 7.9585 7.9591 9.0342 9.0352 9.4246 9.4260 9.5144 9.5155 9.9211 9.9216 k = 0.4096 0.6025 0.1261 ( 5502 PWs) bands (ev): -19.9937 -19.9937 -19.6068 -19.6068 -19.5433 -19.5433 -19.1775 -19.1775 -13.9283 -13.9283 -11.6115 -11.6115 -10.8084 -10.8083 -10.7063 -10.7063 -7.7299 -7.7293 -7.1516 -7.1511 -6.1909 -6.1905 -6.1145 -6.1137 -5.8858 -5.8855 -5.3028 -5.3022 -5.1393 -5.1390 -4.8202 -4.8184 -3.6188 -3.6185 -3.0351 -3.0314 -2.9555 -2.9543 -2.7598 -2.7586 -1.8440 -1.8396 -1.5349 -1.5278 -1.4585 -1.4558 -1.0321 -1.0262 -0.4574 -0.4543 0.4162 0.4219 0.5298 0.5308 0.5951 0.6011 6.9657 6.9660 7.9525 7.9532 8.9859 8.9870 9.4137 9.4151 9.5268 9.5280 9.9410 9.9415 k = 0.4005 0.6113 0.1387 ( 5500 PWs) bands (ev): -19.9874 -19.9874 -19.6149 -19.6149 -19.5389 -19.5389 -19.1823 -19.1823 -13.9219 -13.9219 -11.6099 -11.6098 -10.8196 -10.8195 -10.6989 -10.6989 -7.7253 -7.7248 -7.1473 -7.1467 -6.2019 -6.2014 -6.1119 -6.1111 -5.8862 -5.8859 -5.3291 -5.3285 -5.1391 -5.1389 -4.8098 -4.8080 -3.6270 -3.6268 -3.0426 -3.0389 -2.9579 -2.9564 -2.7435 -2.7424 -1.8324 -1.8276 -1.5393 -1.5321 -1.4526 -1.4497 -1.0212 -1.0151 -0.4560 -0.4526 0.4063 0.4122 0.5233 0.5243 0.6009 0.6071 7.0093 7.0096 7.9466 7.9473 8.9351 8.9362 9.4021 9.4036 9.5411 9.5424 9.9624 9.9629 k = 0.3915 0.6201 0.1513 ( 5502 PWs) bands (ev): -19.9806 -19.9806 -19.6236 -19.6236 -19.5341 -19.5341 -19.1875 -19.1874 -13.9152 -13.9152 -11.6080 -11.6079 -10.8314 -10.8313 -10.6913 -10.6912 -7.7207 -7.7201 -7.1427 -7.1421 -6.2132 -6.2127 -6.1096 -6.1087 -5.8866 -5.8862 -5.3559 -5.3554 -5.1390 -5.1387 -4.7996 -4.7978 -3.6360 -3.6357 -3.0495 -3.0458 -2.9595 -2.9578 -2.7279 -2.7268 -1.8204 -1.8153 -1.5431 -1.5358 -1.4468 -1.4437 -1.0098 -1.0035 -0.4547 -0.4510 0.3956 0.4016 0.5167 0.5177 0.6071 0.6134 7.0563 7.0567 7.9409 7.9417 8.8818 8.8829 9.3898 9.3915 9.5575 9.5590 9.9851 9.9856 k = 0.3824 0.6289 0.1639 ( 5498 PWs) bands (ev): -19.9733 -19.9733 -19.6328 -19.6328 -19.5290 -19.5290 -19.1929 -19.1929 -13.9083 -13.9082 -11.6058 -11.6057 -10.8435 -10.8434 -10.6835 -10.6835 -7.7161 -7.7154 -7.1380 -7.1374 -6.2248 -6.2243 -6.1075 -6.1066 -5.8870 -5.8865 -5.3829 -5.3824 -5.1388 -5.1386 -4.7898 -4.7880 -3.6455 -3.6453 -3.0558 -3.0522 -2.9602 -2.9584 -2.7128 -2.7119 -1.8081 -1.8028 -1.5460 -1.5388 -1.4413 -1.4380 -0.9978 -0.9913 -0.4536 -0.4496 0.3842 0.3902 0.5101 0.5111 0.6136 0.6200 7.1065 7.1069 7.9356 7.9364 8.8263 8.8275 9.3771 9.3789 9.5760 9.5776 10.0090 10.0095 k = 0.3824 0.6289 0.1639 ( 5498 PWs) bands (ev): -19.9733 -19.9733 -19.6328 -19.6328 -19.5290 -19.5290 -19.1929 -19.1929 -13.9083 -13.9082 -11.6058 -11.6057 -10.8435 -10.8434 -10.6835 -10.6835 -7.7161 -7.7154 -7.1380 -7.1374 -6.2248 -6.2243 -6.1075 -6.1066 -5.8870 -5.8865 -5.3829 -5.3824 -5.1388 -5.1386 -4.7898 -4.7880 -3.6455 -3.6453 -3.0558 -3.0522 -2.9602 -2.9584 -2.7128 -2.7119 -1.8081 -1.8028 -1.5460 -1.5388 -1.4413 -1.4380 -0.9978 -0.9913 -0.4536 -0.4496 0.3842 0.3902 0.5101 0.5111 0.6136 0.6200 7.1065 7.1069 7.9356 7.9364 8.8263 8.8275 9.3771 9.3789 9.5760 9.5776 10.0090 10.0095 k = 0.3665 0.6235 0.1716 ( 5502 PWs) bands (ev): -19.9687 -19.9687 -19.6387 -19.6387 -19.5258 -19.5258 -19.1963 -19.1963 -13.9039 -13.9039 -11.6040 -11.6039 -10.8512 -10.8510 -10.6789 -10.6788 -7.7133 -7.7126 -7.1350 -7.1344 -6.2318 -6.2313 -6.1064 -6.1055 -5.8878 -5.8873 -5.3993 -5.3988 -5.1390 -5.1387 -4.7838 -4.7820 -3.6519 -3.6516 -3.0593 -3.0558 -2.9600 -2.9581 -2.7037 -2.7028 -1.8005 -1.7950 -1.5472 -1.5401 -1.4378 -1.4344 -0.9901 -0.9836 -0.4531 -0.4490 0.3768 0.3828 0.5063 0.5073 0.6173 0.6237 7.1377 7.1381 7.9346 7.9354 8.7912 8.7924 9.3675 9.3693 9.5906 9.5922 10.0245 10.0251 k = 0.3506 0.6182 0.1793 ( 5498 PWs) bands (ev): -19.9640 -19.9640 -19.6446 -19.6446 -19.5224 -19.5224 -19.1998 -19.1998 -13.8995 -13.8995 -11.6016 -11.6015 -10.8590 -10.8589 -10.6745 -10.6745 -7.7105 -7.7099 -7.1321 -7.1314 -6.2388 -6.2383 -6.1055 -6.1046 -5.8897 -5.8892 -5.4154 -5.4149 -5.1395 -5.1392 -4.7778 -4.7760 -3.6587 -3.6585 -3.0627 -3.0592 -2.9593 -2.9573 -2.6941 -2.6932 -1.7925 -1.7869 -1.5478 -1.5409 -1.4340 -1.4304 -0.9822 -0.9756 -0.4528 -0.4484 0.3691 0.3750 0.5031 0.5041 0.6203 0.6266 7.1676 7.1681 7.9379 7.9387 8.7548 8.7561 9.3553 9.3572 9.6095 9.6110 10.0412 10.0418 k = 0.3346 0.6128 0.1870 ( 5501 PWs) bands (ev): -19.9593 -19.9593 -19.6507 -19.6507 -19.5189 -19.5189 -19.2034 -19.2034 -13.8951 -13.8950 -11.5986 -11.5985 -10.8671 -10.8670 -10.6704 -10.6703 -7.7079 -7.7072 -7.1290 -7.1284 -6.2456 -6.2451 -6.1050 -6.1041 -5.8927 -5.8921 -5.4308 -5.4303 -5.1404 -5.1401 -4.7717 -4.7700 -3.6660 -3.6658 -3.0661 -3.0627 -2.9580 -2.9559 -2.6842 -2.6834 -1.7840 -1.7783 -1.5480 -1.5413 -1.4299 -1.4263 -0.9742 -0.9675 -0.4525 -0.4480 0.3612 0.3670 0.5003 0.5013 0.6224 0.6287 7.1960 7.1965 7.9455 7.9463 8.7177 8.7190 9.3416 9.3435 9.6317 9.6332 10.0592 10.0598 k = 0.3187 0.6074 0.1947 ( 5501 PWs) bands (ev): -19.9546 -19.9545 -19.6568 -19.6568 -19.5154 -19.5153 -19.2071 -19.2071 -13.8906 -13.8906 -11.5951 -11.5950 -10.8754 -10.8752 -10.6665 -10.6665 -7.7053 -7.7047 -7.1260 -7.1254 -6.2522 -6.2517 -6.1049 -6.1040 -5.8966 -5.8959 -5.4454 -5.4449 -5.1417 -5.1413 -4.7657 -4.7640 -3.6738 -3.6736 -3.0693 -3.0660 -2.9562 -2.9541 -2.6742 -2.6735 -1.7750 -1.7692 -1.5477 -1.5413 -1.4258 -1.4220 -0.9660 -0.9593 -0.4523 -0.4477 0.3532 0.3590 0.4980 0.4991 0.6236 0.6299 7.2225 7.2229 7.9574 7.9582 8.6801 8.6815 9.3272 9.3290 9.6563 9.6576 10.0784 10.0791 k = 0.3028 0.6021 0.2024 ( 5503 PWs) bands (ev): -19.9498 -19.9498 -19.6629 -19.6629 -19.5117 -19.5117 -19.2108 -19.2108 -13.8861 -13.8861 -11.5911 -11.5910 -10.8837 -10.8835 -10.6630 -10.6629 -7.7029 -7.7023 -7.1231 -7.1224 -6.2586 -6.2580 -6.1054 -6.1044 -5.9012 -5.9005 -5.4591 -5.4586 -5.1432 -5.1429 -4.7597 -4.7580 -3.6819 -3.6817 -3.0725 -3.0693 -2.9540 -2.9519 -2.6641 -2.6634 -1.7654 -1.7595 -1.5471 -1.5410 -1.4216 -1.4177 -0.9578 -0.9511 -0.4521 -0.4474 0.3452 0.3509 0.4963 0.4974 0.6240 0.6302 7.2469 7.2473 7.9733 7.9739 8.6429 8.6443 9.3127 9.3145 9.6826 9.6839 10.0989 10.0996 k = 0.2868 0.5967 0.2101 ( 5508 PWs) bands (ev): -19.9450 -19.9449 -19.6691 -19.6691 -19.5080 -19.5080 -19.2146 -19.2146 -13.8817 -13.8817 -11.5867 -11.5866 -10.8920 -10.8919 -10.6597 -10.6596 -7.7006 -7.7000 -7.1202 -7.1195 -6.2647 -6.2642 -6.1065 -6.1056 -5.9063 -5.9056 -5.4717 -5.4713 -5.1450 -5.1446 -4.7538 -4.7521 -3.6904 -3.6902 -3.0756 -3.0725 -2.9516 -2.9495 -2.6541 -2.6535 -1.7551 -1.7492 -1.5462 -1.5404 -1.4176 -1.4135 -0.9496 -0.9429 -0.4519 -0.4471 0.3374 0.3430 0.4950 0.4961 0.6235 0.6296 7.2690 7.2695 7.9924 7.9929 8.6069 8.6084 9.2983 9.3001 9.7102 9.7113 10.1205 10.1213 k = 0.2709 0.5914 0.2177 ( 5506 PWs) bands (ev): -19.9401 -19.9401 -19.6753 -19.6753 -19.5042 -19.5042 -19.2184 -19.2184 -13.8773 -13.8773 -11.5819 -11.5818 -10.9002 -10.9001 -10.6566 -10.6565 -7.6984 -7.6978 -7.1173 -7.1167 -6.2705 -6.2700 -6.1085 -6.1076 -5.9117 -5.9110 -5.4832 -5.4828 -5.1470 -5.1466 -4.7480 -4.7464 -3.6991 -3.6989 -3.0785 -3.0756 -2.9489 -2.9469 -2.6443 -2.6437 -1.7441 -1.7382 -1.5451 -1.5396 -1.4137 -1.4096 -0.9415 -0.9349 -0.4515 -0.4468 0.3297 0.3352 0.4942 0.4954 0.6221 0.6281 7.2890 7.2895 8.0136 8.0140 8.5733 8.5748 9.2844 9.2861 9.7387 9.7397 10.1432 10.1441 k = 0.2550 0.5860 0.2254 ( 5499 PWs) bands (ev): -19.9353 -19.9353 -19.6815 -19.6815 -19.5004 -19.5004 -19.2222 -19.2222 -13.8730 -13.8729 -11.5768 -11.5767 -10.9084 -10.9083 -10.6538 -10.6538 -7.6964 -7.6958 -7.1146 -7.1139 -6.2761 -6.2756 -6.1114 -6.1105 -5.9171 -5.9163 -5.4935 -5.4931 -5.1492 -5.1488 -4.7424 -4.7408 -3.7079 -3.7078 -3.0813 -3.0785 -2.9462 -2.9442 -2.6348 -2.6342 -1.7325 -1.7265 -1.5438 -1.5387 -1.4102 -1.4059 -0.9336 -0.9271 -0.4511 -0.4463 0.3223 0.3276 0.4938 0.4950 0.6201 0.6259 7.3070 7.3075 8.0351 8.0355 8.5436 8.5452 9.2711 9.2727 9.7677 9.7687 10.1669 10.1678 k = 0.2390 0.5806 0.2331 ( 5497 PWs) bands (ev): -19.9304 -19.9304 -19.6877 -19.6877 -19.4966 -19.4966 -19.2260 -19.2259 -13.8688 -13.8687 -11.5715 -11.5715 -10.9164 -10.9163 -10.6513 -10.6513 -7.6945 -7.6939 -7.1120 -7.1113 -6.2814 -6.2809 -6.1153 -6.1144 -5.9222 -5.9214 -5.5027 -5.5023 -5.1514 -5.1510 -4.7370 -4.7355 -3.7169 -3.7167 -3.0839 -3.0812 -2.9433 -2.9414 -2.6256 -2.6251 -1.7202 -1.7142 -1.5423 -1.5376 -1.4071 -1.4027 -0.9260 -0.9196 -0.4505 -0.4457 0.3151 0.3203 0.4939 0.4952 0.6173 0.6230 7.3233 7.3237 8.0547 8.0552 8.5200 8.5217 9.2585 9.2601 9.7970 9.7979 10.1914 10.1924 k = 0.2231 0.5753 0.2408 ( 5496 PWs) bands (ev): -19.9256 -19.9256 -19.6938 -19.6938 -19.4928 -19.4928 -19.2297 -19.2297 -13.8647 -13.8647 -11.5661 -11.5660 -10.9242 -10.9241 -10.6491 -10.6490 -7.6928 -7.6922 -7.1095 -7.1088 -6.2863 -6.2858 -6.1202 -6.1193 -5.9268 -5.9260 -5.5108 -5.5104 -5.1537 -5.1533 -4.7318 -4.7304 -3.7260 -3.7258 -3.0863 -3.0838 -2.9405 -2.9387 -2.6169 -2.6164 -1.7073 -1.7013 -1.5407 -1.5364 -1.4044 -1.4000 -0.9187 -0.9125 -0.4497 -0.4450 0.3083 0.3132 0.4943 0.4957 0.6139 0.6194 7.3380 7.3385 8.0695 8.0702 8.5049 8.5067 9.2466 9.2481 9.8263 9.8271 10.2167 10.2178 k = 0.2072 0.5699 0.2485 ( 5491 PWs) bands (ev): -19.9209 -19.9209 -19.6998 -19.6998 -19.4890 -19.4890 -19.2334 -19.2334 -13.8608 -13.8607 -11.5606 -11.5605 -10.9318 -10.9317 -10.6471 -10.6470 -7.6912 -7.6907 -7.1071 -7.1065 -6.2909 -6.2905 -6.1261 -6.1253 -5.9307 -5.9299 -5.5178 -5.5174 -5.1560 -5.1556 -4.7269 -4.7255 -3.7349 -3.7347 -3.0885 -3.0861 -2.9377 -2.9360 -2.6087 -2.6083 -1.6939 -1.6879 -1.5391 -1.5352 -1.4024 -1.3979 -0.9119 -0.9058 -0.4487 -0.4441 0.3019 0.3066 0.4952 0.4966 0.6099 0.6153 7.3517 7.3522 8.0766 8.0775 8.5009 8.5027 9.2356 9.2370 9.8553 9.8561 10.2425 10.2437 k = 0.1912 0.5645 0.2562 ( 5501 PWs) bands (ev): -19.9162 -19.9162 -19.7057 -19.7057 -19.4854 -19.4853 -19.2370 -19.2370 -13.8570 -13.8570 -11.5551 -11.5550 -10.9390 -10.9389 -10.6454 -10.6453 -7.6898 -7.6893 -7.1049 -7.1043 -6.2952 -6.2948 -6.1329 -6.1321 -5.9340 -5.9332 -5.5239 -5.5235 -5.1584 -5.1579 -4.7222 -4.7210 -3.7438 -3.7436 -3.0904 -3.0882 -2.9351 -2.9335 -2.6011 -2.6007 -1.6801 -1.6740 -1.5375 -1.5340 -1.4010 -1.3965 -0.9056 -0.8997 -0.4475 -0.4430 0.2958 0.3003 0.4964 0.4978 0.6056 0.6107 7.3646 7.3651 8.0744 8.0755 8.5090 8.5109 9.2253 9.2267 9.8838 9.8845 10.2688 10.2700 k = 0.1753 0.5592 0.2639 ( 5502 PWs) bands (ev): -19.9116 -19.9116 -19.7114 -19.7114 -19.4818 -19.4818 -19.2405 -19.2405 -13.8535 -13.8535 -11.5497 -11.5496 -10.9458 -10.9457 -10.6439 -10.6438 -7.6886 -7.6881 -7.1029 -7.1023 -6.2992 -6.2988 -6.1403 -6.1396 -5.9364 -5.9357 -5.5291 -5.5288 -5.1606 -5.1602 -4.7179 -4.7167 -3.7524 -3.7522 -3.0922 -3.0901 -2.9326 -2.9310 -2.5941 -2.5937 -1.6659 -1.6599 -1.5358 -1.5328 -1.4002 -1.3957 -0.8997 -0.8942 -0.4461 -0.4418 0.2902 0.2944 0.4979 0.4993 0.6008 0.6058 7.3769 7.3775 8.0632 8.0645 8.5286 8.5305 9.2159 9.2172 9.9114 9.9121 10.2953 10.2966 k = 0.1594 0.5538 0.2716 ( 5502 PWs) bands (ev): -19.9071 -19.9071 -19.7170 -19.7170 -19.4783 -19.4783 -19.2439 -19.2439 -13.8502 -13.8502 -11.5444 -11.5444 -10.9522 -10.9521 -10.6426 -10.6425 -7.6875 -7.6870 -7.1010 -7.1005 -6.3028 -6.3024 -6.1482 -6.1475 -5.9381 -5.9374 -5.5335 -5.5332 -5.1627 -5.1623 -4.7139 -4.7128 -3.7607 -3.7604 -3.0937 -3.0918 -2.9302 -2.9288 -2.5878 -2.5873 -1.6516 -1.6455 -1.5342 -1.5316 -1.4001 -1.3956 -0.8944 -0.8892 -0.4446 -0.4405 0.2851 0.2890 0.4996 0.5011 0.5958 0.6006 7.3890 7.3897 8.0448 8.0461 8.5574 8.5592 9.2074 9.2085 9.9378 9.9385 10.3218 10.3232 k = 0.1434 0.5485 0.2793 ( 5498 PWs) bands (ev): -19.9028 -19.9028 -19.7223 -19.7223 -19.4751 -19.4751 -19.2471 -19.2471 -13.8471 -13.8471 -11.5394 -11.5393 -10.9582 -10.9581 -10.6415 -10.6414 -7.6865 -7.6861 -7.0993 -7.0988 -6.3060 -6.3057 -6.1562 -6.1556 -5.9393 -5.9386 -5.5372 -5.5370 -5.1648 -5.1644 -4.7102 -4.7092 -3.7685 -3.7683 -3.0950 -3.0932 -2.9280 -2.9267 -2.5820 -2.5816 -1.6372 -1.6312 -1.5328 -1.5305 -1.4006 -1.3961 -0.8897 -0.8849 -0.4429 -0.4391 0.2804 0.2841 0.5016 0.5031 0.5907 0.5952 7.4010 7.4017 8.0214 8.0228 8.5924 8.5940 9.1996 9.2007 9.9629 9.9636 10.3481 10.3495 k = 0.1275 0.5431 0.2870 ( 5497 PWs) bands (ev): -19.8987 -19.8986 -19.7274 -19.7274 -19.4720 -19.4720 -19.2501 -19.2501 -13.8443 -13.8443 -11.5347 -11.5346 -10.9636 -10.9635 -10.6405 -10.6405 -7.6857 -7.6853 -7.0978 -7.0974 -6.3089 -6.3086 -6.1642 -6.1636 -5.9398 -5.9393 -5.5403 -5.5401 -5.1666 -5.1663 -4.7068 -4.7059 -3.7758 -3.7756 -3.0961 -3.0945 -2.9259 -2.9248 -2.5769 -2.5765 -1.6231 -1.6171 -1.5315 -1.5295 -1.4017 -1.3974 -0.8856 -0.8812 -0.4411 -0.4376 0.2763 0.2796 0.5038 0.5053 0.5856 0.5898 7.4129 7.4137 7.9953 7.9967 8.6309 8.6324 9.1927 9.1936 9.9862 9.9869 10.3738 10.3753 k = 0.1115 0.5377 0.2947 ( 5499 PWs) bands (ev): -19.8948 -19.8948 -19.7321 -19.7321 -19.4692 -19.4692 -19.2528 -19.2528 -13.8418 -13.8418 -11.5303 -11.5303 -10.9685 -10.9684 -10.6398 -10.6397 -7.6850 -7.6847 -7.0965 -7.0961 -6.3115 -6.3112 -6.1718 -6.1714 -5.9400 -5.9395 -5.5429 -5.5427 -5.1683 -5.1680 -4.7038 -4.7030 -3.7826 -3.7824 -3.0970 -3.0956 -2.9241 -2.9231 -2.5724 -2.5721 -1.6093 -1.6034 -1.5304 -1.5286 -1.4035 -1.3993 -0.8820 -0.8780 -0.4393 -0.4362 0.2726 0.2756 0.5061 0.5076 0.5805 0.5844 7.4248 7.4256 7.9682 7.9695 8.6704 8.6718 9.1866 9.1874 10.0074 10.0082 10.3986 10.4000 k = 0.0956 0.5324 0.3024 ( 5497 PWs) bands (ev): -19.8912 -19.8912 -19.7364 -19.7363 -19.4667 -19.4666 -19.2553 -19.2553 -13.8396 -13.8396 -11.5264 -11.5264 -10.9727 -10.9727 -10.6392 -10.6391 -7.6844 -7.6842 -7.0953 -7.0949 -6.3136 -6.3134 -6.1789 -6.1785 -5.9400 -5.9395 -5.5450 -5.5448 -5.1698 -5.1695 -4.7012 -4.7005 -3.7886 -3.7884 -3.0977 -3.0965 -2.9225 -2.9217 -2.5686 -2.5683 -1.5960 -1.5902 -1.5297 -1.5278 -1.4057 -1.4017 -0.8789 -0.8755 -0.4375 -0.4348 0.2695 0.2720 0.5085 0.5100 0.5756 0.5791 7.4366 7.4373 7.9415 7.9427 8.7091 8.7103 9.1813 9.1820 10.0264 10.0272 10.4221 10.4234 k = 0.0797 0.5270 0.3101 ( 5502 PWs) bands (ev): -19.8880 -19.8880 -19.7402 -19.7402 -19.4644 -19.4644 -19.2575 -19.2575 -13.8377 -13.8377 -11.5230 -11.5230 -10.9764 -10.9764 -10.6387 -10.6387 -7.6840 -7.6837 -7.0943 -7.0940 -6.3155 -6.3153 -6.1852 -6.1849 -5.9397 -5.9393 -5.5467 -5.5466 -5.1711 -5.1708 -4.6990 -4.6984 -3.7938 -3.7937 -3.0983 -3.0973 -2.9212 -2.9204 -2.5654 -2.5651 -1.5836 -1.5779 -1.5294 -1.5273 -1.4081 -1.4046 -0.8763 -0.8734 -0.4358 -0.4335 0.2668 0.2690 0.5109 0.5124 0.5710 0.5742 7.4479 7.4486 7.9164 7.9174 8.7452 8.7462 9.1768 9.1774 10.0428 10.0436 10.4436 10.4449 k = 0.0637 0.5217 0.3178 ( 5500 PWs) bands (ev): -19.8853 -19.8853 -19.7434 -19.7434 -19.4626 -19.4625 -19.2593 -19.2593 -13.8361 -13.8361 -11.5202 -11.5201 -10.9795 -10.9795 -10.6383 -10.6383 -7.6836 -7.6834 -7.0935 -7.0932 -6.3170 -6.3168 -6.1906 -6.1904 -5.9394 -5.9391 -5.5480 -5.5479 -5.1721 -5.1719 -4.6971 -4.6966 -3.7982 -3.7981 -3.0987 -3.0979 -2.9200 -2.9194 -2.5627 -2.5625 -1.5722 -1.5667 -1.5295 -1.5271 -1.4107 -1.4076 -0.8742 -0.8719 -0.4343 -0.4324 0.2647 0.2665 0.5133 0.5147 0.5668 0.5696 7.4585 7.4591 7.8938 7.8947 8.7772 8.7781 9.1731 9.1735 10.0564 10.0572 10.4626 10.4638 k = 0.0478 0.5163 0.3255 ( 5502 PWs) bands (ev): -19.8830 -19.8830 -19.7461 -19.7461 -19.4611 -19.4611 -19.2607 -19.2607 -13.8349 -13.8349 -11.5179 -11.5179 -10.9819 -10.9819 -10.6380 -10.6380 -7.6833 -7.6832 -7.0928 -7.0927 -6.3181 -6.3180 -6.1950 -6.1948 -5.9390 -5.9388 -5.5490 -5.5489 -5.1729 -5.1728 -4.6956 -4.6953 -3.8017 -3.8016 -3.0990 -3.0984 -2.9191 -2.9187 -2.5607 -2.5605 -1.5622 -1.5569 -1.5302 -1.5274 -1.4131 -1.4105 -0.8726 -0.8708 -0.4330 -0.4316 0.2631 0.2645 0.5155 0.5167 0.5634 0.5656 7.4677 7.4682 7.8749 7.8756 8.8037 8.8044 9.1701 9.1705 10.0671 10.0678 10.4784 10.4794 k = 0.0319 0.5109 0.3332 ( 5510 PWs) bands (ev): -19.8814 -19.8814 -19.7480 -19.7480 -19.4600 -19.4600 -19.2618 -19.2618 -13.8340 -13.8340 -11.5163 -11.5163 -10.9836 -10.9836 -10.6378 -10.6378 -7.6831 -7.6830 -7.0924 -7.0923 -6.3189 -6.3188 -6.1982 -6.1980 -5.9388 -5.9386 -5.5497 -5.5496 -5.1736 -5.1734 -4.6946 -4.6943 -3.8042 -3.8042 -3.0992 -3.0988 -2.9184 -2.9182 -2.5592 -2.5591 -1.5537 -1.5490 -1.5315 -1.5284 -1.4150 -1.4132 -0.8713 -0.8701 -0.4320 -0.4310 0.2621 0.2629 0.5174 0.5184 0.5607 0.5623 7.4750 7.4753 7.8605 7.8610 8.8236 8.8240 9.1680 9.1683 10.0748 10.0753 10.4903 10.4910 k = 0.0159 0.5056 0.3409 ( 5504 PWs) bands (ev): -19.8804 -19.8804 -19.7492 -19.7492 -19.4593 -19.4593 -19.2624 -19.2624 -13.8335 -13.8335 -11.5153 -11.5153 -10.9846 -10.9846 -10.6377 -10.6377 -7.6830 -7.6830 -7.0921 -7.0920 -6.3194 -6.3193 -6.2001 -6.2000 -5.9385 -5.9385 -5.5501 -5.5501 -5.1739 -5.1738 -4.6939 -4.6938 -3.8058 -3.8057 -3.0993 -3.0991 -2.9180 -2.9179 -2.5584 -2.5583 -1.5471 -1.5436 -1.5327 -1.5301 -1.4160 -1.4151 -0.8705 -0.8699 -0.4312 -0.4307 0.2615 0.2620 0.5188 0.5193 0.5592 0.5601 7.4797 7.4799 7.8515 7.8518 8.8360 8.8362 9.1668 9.1669 10.0795 10.0798 10.4976 10.4980 k = 0.0000 0.5002 0.3485 ( 5502 PWs) bands (ev): -19.8800 -19.8800 -19.7496 -19.7496 -19.4591 -19.4591 -19.2627 -19.2627 -13.8333 -13.8333 -11.5149 -11.5149 -10.9850 -10.9850 -10.6377 -10.6377 -7.6829 -7.6829 -7.0920 -7.0920 -6.3195 -6.3195 -6.2007 -6.2007 -5.9384 -5.9384 -5.5502 -5.5502 -5.1740 -5.1740 -4.6936 -4.6936 -3.8063 -3.8063 -3.0992 -3.0992 -2.9178 -2.9178 -2.5580 -2.5580 -1.5430 -1.5430 -1.5322 -1.5322 -1.4161 -1.4161 -0.8700 -0.8700 -0.4308 -0.4308 0.2615 0.2615 0.5195 0.5195 0.5590 0.5590 7.4815 7.4815 7.8485 7.8485 8.8402 8.8402 9.1664 9.1664 10.0812 10.0812 10.5002 10.5002 k = 0.0000 0.5002 0.3485 ( 5502 PWs) bands (ev): -19.8800 -19.8800 -19.7496 -19.7496 -19.4591 -19.4591 -19.2627 -19.2627 -13.8333 -13.8333 -11.5149 -11.5149 -10.9850 -10.9850 -10.6377 -10.6377 -7.6829 -7.6829 -7.0920 -7.0920 -6.3195 -6.3195 -6.2007 -6.2007 -5.9384 -5.9384 -5.5502 -5.5502 -5.1740 -5.1740 -4.6936 -4.6936 -3.8063 -3.8063 -3.0992 -3.0992 -2.9178 -2.9178 -2.5580 -2.5580 -1.5430 -1.5430 -1.5322 -1.5322 -1.4161 -1.4161 -0.8700 -0.8700 -0.4308 -0.4308 0.2615 0.2615 0.5195 0.5195 0.5590 0.5590 7.4815 7.4815 7.8485 7.8485 8.8402 8.8402 9.1664 9.1664 10.0812 10.0812 10.5002 10.5002 k = 0.0093 0.4912 0.3615 ( 5506 PWs) bands (ev): -19.8798 -19.8798 -19.7493 -19.7493 -19.4594 -19.4594 -19.2631 -19.2631 -13.8329 -13.8329 -11.5152 -11.5152 -10.9843 -10.9843 -10.6382 -10.6382 -7.6829 -7.6828 -7.0922 -7.0922 -6.3192 -6.3190 -6.2005 -6.2004 -5.9385 -5.9384 -5.5503 -5.5503 -5.1755 -5.1754 -4.6931 -4.6929 -3.8067 -3.8066 -3.0992 -3.0989 -2.9179 -2.9177 -2.5580 -2.5580 -1.5619 -1.5577 -1.5188 -1.5150 -1.4150 -1.4140 -0.8701 -0.8696 -0.4315 -0.4313 0.2619 0.2620 0.5189 0.5195 0.5592 0.5598 7.4829 7.4829 7.8486 7.8487 8.8403 8.8403 9.1615 9.1616 10.0840 10.0841 10.5007 10.5009 k = 0.0185 0.4822 0.3744 ( 5506 PWs) bands (ev): -19.8790 -19.8790 -19.7482 -19.7482 -19.4603 -19.4602 -19.2645 -19.2644 -13.8318 -13.8318 -11.5162 -11.5161 -10.9823 -10.9823 -10.6397 -10.6396 -7.6826 -7.6825 -7.0931 -7.0930 -6.3180 -6.3177 -6.1997 -6.1995 -5.9384 -5.9383 -5.5505 -5.5505 -5.1798 -5.1797 -4.6912 -4.6908 -3.8078 -3.8076 -3.0989 -3.0982 -2.9180 -2.9175 -2.5579 -2.5578 -1.5844 -1.5799 -1.5007 -1.4970 -1.4106 -1.4086 -0.8698 -0.8688 -0.4334 -0.4331 0.2632 0.2635 0.5179 0.5191 0.5606 0.5617 7.4871 7.4872 7.8489 7.8490 8.8405 8.8406 9.1473 9.1475 10.0922 10.0925 10.5023 10.5027 k = 0.0278 0.4732 0.3873 ( 5498 PWs) bands (ev): -19.8778 -19.8778 -19.7465 -19.7465 -19.4617 -19.4617 -19.2667 -19.2667 -13.8300 -13.8300 -11.5176 -11.5176 -10.9790 -10.9789 -10.6421 -10.6421 -7.6821 -7.6819 -7.0944 -7.0943 -6.3159 -6.3155 -6.1984 -6.1981 -5.9383 -5.9381 -5.5509 -5.5509 -5.1868 -5.1866 -4.6880 -4.6875 -3.8096 -3.8092 -3.0983 -3.0972 -2.9180 -2.9173 -2.5578 -2.5576 -1.6078 -1.6033 -1.4844 -1.4807 -1.4031 -1.4001 -0.8692 -0.8677 -0.4365 -0.4361 0.2654 0.2660 0.5167 0.5182 0.5629 0.5644 7.4942 7.4943 7.8494 7.8497 8.8407 8.8409 9.1245 9.1248 10.1051 10.1056 10.5049 10.5055 k = 0.0370 0.4642 0.4002 ( 5488 PWs) bands (ev): -19.8761 -19.8761 -19.7440 -19.7440 -19.4637 -19.4637 -19.2697 -19.2697 -13.8275 -13.8275 -11.5197 -11.5196 -10.9744 -10.9744 -10.6455 -10.6455 -7.6814 -7.6812 -7.0962 -7.0961 -6.3132 -6.3126 -6.1965 -6.1961 -5.9381 -5.9379 -5.5515 -5.5514 -5.1962 -5.1961 -4.6838 -4.6831 -3.8121 -3.8117 -3.0973 -3.0960 -2.9179 -2.9169 -2.5576 -2.5573 -1.6319 -1.6272 -1.4700 -1.4661 -1.3927 -1.3888 -0.8682 -0.8663 -0.4408 -0.4402 0.2686 0.2693 0.5153 0.5171 0.5660 0.5678 7.5039 7.5041 7.8503 7.8506 8.8409 8.8412 9.0944 9.0949 10.1216 10.1223 10.5084 10.5092 k = 0.0463 0.4552 0.4131 ( 5486 PWs) bands (ev): -19.8739 -19.8739 -19.7409 -19.7409 -19.4662 -19.4662 -19.2737 -19.2737 -13.8244 -13.8243 -11.5222 -11.5221 -10.9688 -10.9687 -10.6498 -10.6497 -7.6806 -7.6803 -7.0985 -7.0984 -6.3097 -6.3090 -6.1940 -6.1935 -5.9379 -5.9375 -5.5523 -5.5522 -5.2078 -5.2076 -4.6787 -4.6778 -3.8153 -3.8148 -3.0963 -3.0946 -2.9175 -2.9164 -2.5573 -2.5570 -1.6563 -1.6516 -1.4570 -1.4528 -1.3802 -1.3757 -0.8669 -0.8645 -0.4462 -0.4455 0.2726 0.2735 0.5139 0.5159 0.5696 0.5717 7.5162 7.5165 7.8517 7.8520 8.8409 8.8412 9.0585 9.0591 10.1406 10.1414 10.5125 10.5136 k = 0.0556 0.4462 0.4260 ( 5488 PWs) bands (ev): -19.8713 -19.8713 -19.7371 -19.7371 -19.4693 -19.4693 -19.2785 -19.2785 -13.8206 -13.8206 -11.5251 -11.5251 -10.9621 -10.9620 -10.6549 -10.6548 -7.6796 -7.6792 -7.1013 -7.1011 -6.3057 -6.3049 -6.1910 -6.1904 -5.9375 -5.9370 -5.5534 -5.5533 -5.2212 -5.2210 -4.6729 -4.6719 -3.8192 -3.8186 -3.0950 -3.0931 -2.9168 -2.9155 -2.5571 -2.5568 -1.6808 -1.6762 -1.4448 -1.4402 -1.3663 -1.3613 -0.8653 -0.8624 -0.4528 -0.4519 0.2774 0.2784 0.5126 0.5147 0.5738 0.5760 7.5310 7.5313 7.8535 7.8540 8.8401 8.8407 9.0183 9.0191 10.1611 10.1620 10.5168 10.5182 k = 0.0648 0.4372 0.4389 ( 5490 PWs) bands (ev): -19.8683 -19.8683 -19.7326 -19.7326 -19.4729 -19.4729 -19.2841 -19.2841 -13.8162 -13.8162 -11.5284 -11.5284 -10.9545 -10.9544 -10.6607 -10.6606 -7.6784 -7.6780 -7.1044 -7.1042 -6.3012 -6.3004 -6.1873 -6.1866 -5.9370 -5.9364 -5.5549 -5.5548 -5.2361 -5.2358 -4.6666 -4.6656 -3.8238 -3.8231 -3.0937 -3.0915 -2.9157 -2.9142 -2.5569 -2.5565 -1.7054 -1.7008 -1.4329 -1.4278 -1.3518 -1.3466 -0.8632 -0.8600 -0.4603 -0.4594 0.2829 0.2841 0.5114 0.5135 0.5783 0.5805 7.5480 7.5483 7.8561 7.8567 8.8378 8.8386 8.9758 8.9769 10.1820 10.1831 10.5207 10.5223 k = 0.0741 0.4282 0.4518 ( 5488 PWs) bands (ev): -19.8648 -19.8648 -19.7275 -19.7275 -19.4770 -19.4770 -19.2905 -19.2904 -13.8114 -13.8114 -11.5320 -11.5320 -10.9462 -10.9461 -10.6671 -10.6670 -7.6771 -7.6767 -7.1079 -7.1077 -6.2965 -6.2956 -6.1830 -6.1822 -5.9364 -5.9356 -5.5569 -5.5567 -5.2520 -5.2516 -4.6600 -4.6589 -3.8290 -3.8283 -3.0924 -3.0900 -2.9140 -2.9125 -2.5568 -2.5563 -1.7299 -1.7253 -1.4207 -1.4153 -1.3373 -1.3319 -0.8609 -0.8573 -0.4689 -0.4678 0.2892 0.2905 0.5104 0.5126 0.5830 0.5853 7.5669 7.5673 7.8597 7.8603 8.8316 8.8328 8.9342 8.9357 10.2029 10.2040 10.5233 10.5251 k = 0.0833 0.4193 0.4647 ( 5488 PWs) bands (ev): -19.8609 -19.8609 -19.7217 -19.7217 -19.4815 -19.4815 -19.2976 -19.2976 -13.8061 -13.8060 -11.5358 -11.5357 -10.9372 -10.9371 -10.6741 -10.6739 -7.6757 -7.6753 -7.1117 -7.1115 -6.2916 -6.2906 -6.1779 -6.1770 -5.9355 -5.9347 -5.5594 -5.5592 -5.2684 -5.2680 -4.6534 -4.6522 -3.8349 -3.8341 -3.0911 -3.0885 -2.9118 -2.9102 -2.5568 -2.5563 -1.7540 -1.7495 -1.4081 -1.4024 -1.3231 -1.3177 -0.8582 -0.8543 -0.4784 -0.4771 0.2960 0.2974 0.5096 0.5117 0.5879 0.5901 7.5875 7.5879 7.8644 7.8650 8.8161 8.8177 8.8998 8.9017 10.2231 10.2244 10.5235 10.5254 k = 0.0926 0.4103 0.4776 ( 5494 PWs) bands (ev): -19.8566 -19.8566 -19.7154 -19.7154 -19.4864 -19.4864 -19.3054 -19.3054 -13.8004 -13.8003 -11.5397 -11.5397 -10.9279 -10.9278 -10.6814 -10.6813 -7.6742 -7.6738 -7.1158 -7.1155 -6.2867 -6.2858 -6.1721 -6.1711 -5.9345 -5.9335 -5.5627 -5.5624 -5.2849 -5.2844 -4.6468 -4.6456 -3.8413 -3.8405 -3.0898 -3.0870 -2.9090 -2.9074 -2.5570 -2.5564 -1.7777 -1.7733 -1.3950 -1.3890 -1.3097 -1.3042 -0.8552 -0.8511 -0.4886 -0.4873 0.3033 0.3049 0.5090 0.5111 0.5928 0.5950 7.6093 7.6098 7.8706 7.8713 8.7850 8.7866 8.8800 8.8818 10.2423 10.2437 10.5203 10.5222 k = 0.1019 0.4013 0.4905 ( 5488 PWs) bands (ev): -19.8520 -19.8520 -19.7084 -19.7084 -19.4918 -19.4918 -19.3139 -19.3139 -13.7943 -13.7943 -11.5437 -11.5437 -10.9183 -10.9181 -10.6890 -10.6889 -7.6727 -7.6722 -7.1200 -7.1197 -6.2821 -6.2811 -6.1655 -6.1644 -5.9333 -5.9321 -5.5669 -5.5665 -5.3011 -5.3004 -4.6404 -4.6392 -3.8482 -3.8474 -3.0884 -3.0856 -2.9057 -2.9040 -2.5574 -2.5568 -1.8008 -1.7965 -1.3814 -1.3751 -1.2970 -1.2916 -0.8519 -0.8476 -0.4996 -0.4981 0.3111 0.3127 0.5087 0.5107 0.5978 0.5999 7.6318 7.6324 7.8787 7.8794 8.7421 8.7434 8.8713 8.8729 10.2604 10.2618 10.5133 10.5152 k = 0.1111 0.3923 0.5035 ( 5488 PWs) bands (ev): -19.8471 -19.8471 -19.7008 -19.7008 -19.4974 -19.4974 -19.3230 -19.3230 -13.7881 -13.7881 -11.5477 -11.5477 -10.9086 -10.9085 -10.6968 -10.6966 -7.6711 -7.6706 -7.1244 -7.1241 -6.2778 -6.2768 -6.1579 -6.1568 -5.9319 -5.9306 -5.5722 -5.5717 -5.3166 -5.3157 -4.6345 -4.6332 -3.8556 -3.8547 -3.0870 -3.0842 -2.9017 -2.9001 -2.5580 -2.5574 -1.8231 -1.8190 -1.3672 -1.3608 -1.2853 -1.2800 -0.8485 -0.8440 -0.5112 -0.5096 0.3191 0.3208 0.5085 0.5104 0.6027 0.6047 7.6545 7.6551 7.8890 7.8898 8.6942 8.6953 8.8671 8.8684 10.2769 10.2785 10.5026 10.5043 k = 0.1204 0.3833 0.5164 ( 5494 PWs) bands (ev): -19.8419 -19.8419 -19.6928 -19.6927 -19.5034 -19.5034 -19.3327 -19.3327 -13.7817 -13.7817 -11.5517 -11.5516 -10.8990 -10.8989 -10.7045 -10.7043 -7.6695 -7.6690 -7.1288 -7.1285 -6.2739 -6.2731 -6.1495 -6.1484 -5.9304 -5.9290 -5.5788 -5.5782 -5.3308 -5.3298 -4.6289 -4.6277 -3.8633 -3.8625 -3.0855 -3.0827 -2.8973 -2.8957 -2.5590 -2.5584 -1.8446 -1.8406 -1.3526 -1.3460 -1.2745 -1.2694 -0.8449 -0.8402 -0.5232 -0.5215 0.3274 0.3291 0.5084 0.5103 0.6075 0.6094 7.6769 7.6775 7.9019 7.9028 8.6447 8.6457 8.8642 8.8654 10.2917 10.2933 10.4890 10.4906 k = 0.1296 0.3743 0.5293 ( 5490 PWs) bands (ev): -19.8365 -19.8365 -19.6842 -19.6842 -19.5095 -19.5095 -19.3430 -19.3429 -13.7752 -13.7752 -11.5556 -11.5555 -10.8898 -10.8896 -10.7119 -10.7118 -7.6678 -7.6674 -7.1333 -7.1330 -6.2706 -6.2698 -6.1402 -6.1392 -5.9289 -5.9273 -5.5866 -5.5859 -5.3435 -5.3423 -4.6239 -4.6227 -3.8713 -3.8704 -3.0839 -3.0811 -2.8925 -2.8909 -2.5604 -2.5598 -1.8651 -1.8613 -1.3377 -1.3310 -1.2647 -1.2598 -0.8412 -0.8365 -0.5356 -0.5338 0.3357 0.3375 0.5085 0.5103 0.6122 0.6140 7.6983 7.6990 7.9178 7.9187 8.5951 8.5961 8.8615 8.8627 10.3044 10.3061 10.4736 10.4751 k = 0.1389 0.3653 0.5422 ( 5486 PWs) bands (ev): -19.8310 -19.8309 -19.6751 -19.6751 -19.5159 -19.5159 -19.3536 -19.3536 -13.7688 -13.7687 -11.5593 -11.5592 -10.8810 -10.8809 -10.7190 -10.7188 -7.6663 -7.6658 -7.1377 -7.1374 -6.2679 -6.2672 -6.1301 -6.1291 -5.9274 -5.9256 -5.5958 -5.5950 -5.3544 -5.3530 -4.6195 -4.6183 -3.8793 -3.8785 -3.0821 -3.0794 -2.8874 -2.8859 -2.5622 -2.5615 -1.8845 -1.8808 -1.3226 -1.3159 -1.2559 -1.2513 -0.8375 -0.8328 -0.5481 -0.5463 0.3440 0.3458 0.5088 0.5104 0.6167 0.6184 7.7185 7.7193 7.9367 7.9376 8.5464 8.5473 8.8585 8.8596 10.3144 10.3160 10.4579 10.4591 k = 0.1481 0.3563 0.5551 ( 5490 PWs) bands (ev): -19.8253 -19.8253 -19.6656 -19.6656 -19.5223 -19.5223 -19.3647 -19.3647 -13.7624 -13.7624 -11.5628 -11.5628 -10.8730 -10.8728 -10.7254 -10.7252 -7.6647 -7.6643 -7.1421 -7.1418 -6.2658 -6.2651 -6.1192 -6.1182 -5.9260 -5.9242 -5.6062 -5.6053 -5.3635 -5.3619 -4.6157 -4.6146 -3.8874 -3.8866 -3.0801 -3.0775 -2.8821 -2.8807 -2.5643 -2.5636 -1.9026 -1.8991 -1.3075 -1.3009 -1.2480 -1.2436 -0.8339 -0.8293 -0.5606 -0.5588 0.3522 0.3539 0.5091 0.5107 0.6209 0.6225 7.7372 7.7380 7.9584 7.9593 8.4991 8.5000 8.8547 8.8558 10.3207 10.3222 10.4434 10.4445 k = 0.1574 0.3473 0.5680 ( 5488 PWs) bands (ev): -19.8195 -19.8195 -19.6557 -19.6557 -19.5287 -19.5287 -19.3761 -19.3761 -13.7563 -13.7562 -11.5662 -11.5661 -10.8660 -10.8657 -10.7311 -10.7309 -7.6633 -7.6628 -7.1462 -7.1459 -6.2643 -6.2636 -6.1077 -6.1067 -5.9250 -5.9231 -5.6175 -5.6165 -5.3707 -5.3690 -4.6125 -4.6115 -3.8953 -3.8946 -3.0779 -3.0755 -2.8767 -2.8754 -2.5668 -2.5661 -1.9194 -1.9161 -1.2926 -1.2861 -1.2409 -1.2367 -0.8306 -0.8260 -0.5729 -0.5711 0.3601 0.3618 0.5095 0.5109 0.6249 0.6264 7.7545 7.7553 7.9823 7.9832 8.4539 8.4547 8.8501 8.8511 10.3219 10.3232 10.4323 10.4332 k = 0.1667 0.3383 0.5809 ( 5490 PWs) bands (ev): -19.8138 -19.8138 -19.6455 -19.6455 -19.5351 -19.5351 -19.3877 -19.3877 -13.7504 -13.7504 -11.5693 -11.5692 -10.8600 -10.8597 -10.7358 -10.7356 -7.6619 -7.6615 -7.1502 -7.1499 -6.2633 -6.2625 -6.0956 -6.0947 -5.9246 -5.9226 -5.6294 -5.6283 -5.3762 -5.3743 -4.6099 -4.6090 -3.9030 -3.9023 -3.0755 -3.0732 -2.8713 -2.8701 -2.5697 -2.5690 -1.9347 -1.9317 -1.2783 -1.2720 -1.2344 -1.2305 -0.8275 -0.8231 -0.5848 -0.5830 0.3677 0.3694 0.5099 0.5113 0.6286 0.6300 7.7705 7.7714 8.0076 8.0085 8.4113 8.4121 8.8445 8.8456 10.3171 10.3183 10.4259 10.4268 k = 0.1759 0.3293 0.5938 ( 5490 PWs) bands (ev): -19.8083 -19.8083 -19.6351 -19.6351 -19.5413 -19.5413 -19.3995 -19.3995 -13.7449 -13.7449 -11.5721 -11.5720 -10.8552 -10.8548 -10.7395 -10.7392 -7.6606 -7.6602 -7.1539 -7.1536 -6.2626 -6.2619 -6.0830 -6.0821 -5.9248 -5.9227 -5.6415 -5.6403 -5.3802 -5.3783 -4.6079 -4.6071 -3.9102 -3.9096 -3.0730 -3.0709 -2.8661 -2.8649 -2.5728 -2.5721 -1.9485 -1.9457 -1.2648 -1.2589 -1.2284 -1.2247 -0.8248 -0.8206 -0.5961 -0.5944 0.3749 0.3764 0.5103 0.5116 0.6321 0.6333 7.7857 7.7865 8.0331 8.0339 8.3720 8.3728 8.8380 8.8391 10.3070 10.3081 10.4242 10.4252 k = 0.1852 0.3203 0.6067 ( 5492 PWs) bands (ev): -19.8029 -19.8029 -19.6246 -19.6245 -19.5472 -19.5472 -19.4113 -19.4113 -13.7398 -13.7398 -11.5746 -11.5745 -10.8516 -10.8512 -10.7421 -10.7418 -7.6594 -7.6591 -7.1573 -7.1570 -6.2624 -6.2615 -6.0701 -6.0693 -5.9259 -5.9239 -5.6532 -5.6520 -5.3831 -5.3810 -4.6065 -4.6057 -3.9169 -3.9163 -3.0704 -3.0686 -2.8611 -2.8600 -2.5761 -2.5753 -1.9608 -1.9582 -1.2528 -1.2474 -1.2223 -1.2190 -0.8225 -0.8186 -0.6066 -0.6050 0.3815 0.3829 0.5107 0.5120 0.6351 0.6362 7.8002 7.8010 8.0571 8.0580 8.3369 8.3377 8.8307 8.8317 10.2936 10.2946 10.4259 10.4268 k = 0.1944 0.3113 0.6196 ( 5490 PWs) bands (ev): -19.7979 -19.7979 -19.6140 -19.6140 -19.5527 -19.5527 -19.4230 -19.4230 -13.7353 -13.7353 -11.5768 -11.5768 -10.8492 -10.8488 -10.7436 -10.7433 -7.6584 -7.6581 -7.1603 -7.1600 -6.2623 -6.2614 -6.0570 -6.0563 -5.9281 -5.9261 -5.6643 -5.6629 -5.3849 -5.3827 -4.6054 -4.6048 -3.9229 -3.9224 -3.0679 -3.0663 -2.8565 -2.8554 -2.5794 -2.5787 -1.9714 -1.9691 -1.2427 -1.2380 -1.2160 -1.2128 -0.8207 -0.8171 -0.6161 -0.6146 0.3874 0.3887 0.5112 0.5123 0.6378 0.6388 7.8142 7.8150 8.0779 8.0787 8.3075 8.3083 8.8228 8.8238 10.2789 10.2799 10.4292 10.4301 k = 0.2037 0.3023 0.6325 ( 5488 PWs) bands (ev): -19.7934 -19.7934 -19.6037 -19.6037 -19.5576 -19.5576 -19.4343 -19.4343 -13.7313 -13.7313 -11.5787 -11.5787 -10.8477 -10.8473 -10.7444 -10.7440 -7.6575 -7.6572 -7.1629 -7.1627 -6.2624 -6.2615 -6.0440 -6.0432 -5.9315 -5.9296 -5.6742 -5.6728 -5.3860 -5.3838 -4.6048 -4.6042 -3.9282 -3.9277 -3.0655 -3.0641 -2.8523 -2.8513 -2.5826 -2.5819 -1.9804 -1.9784 -1.2353 -1.2311 -1.2092 -1.2058 -0.8194 -0.8162 -0.6244 -0.6230 0.3926 0.3938 0.5115 0.5126 0.6401 0.6410 7.8276 7.8284 8.0931 8.0938 8.2853 8.2861 8.8146 8.8156 10.2646 10.2656 10.4331 10.4339 k = 0.2130 0.2933 0.6455 ( 5480 PWs) bands (ev): -19.7894 -19.7894 -19.5939 -19.5939 -19.5619 -19.5619 -19.4450 -19.4450 -13.7280 -13.7280 -11.5803 -11.5802 -10.8470 -10.8466 -10.7444 -10.7440 -7.6567 -7.6565 -7.1651 -7.1649 -6.2626 -6.2616 -6.0311 -6.0304 -5.9361 -5.9343 -5.6827 -5.6812 -5.3866 -5.3844 -4.6044 -4.6039 -3.9327 -3.9321 -3.0633 -3.0622 -2.8487 -2.8478 -2.5856 -2.5848 -1.9878 -1.9860 -1.2302 -1.2263 -1.2021 -1.1987 -0.8185 -0.8157 -0.6313 -0.6301 0.3970 0.3980 0.5118 0.5129 0.6421 0.6428 7.8402 7.8410 8.1008 8.1015 8.2719 8.2726 8.8066 8.8075 10.2518 10.2528 10.4369 10.4376 k = 0.2222 0.2843 0.6584 ( 5486 PWs) bands (ev): -19.7862 -19.7862 -19.5852 -19.5852 -19.5652 -19.5652 -19.4546 -19.4546 -13.7253 -13.7253 -11.5815 -11.5815 -10.8468 -10.8464 -10.7442 -10.7438 -7.6561 -7.6559 -7.1669 -7.1666 -6.2629 -6.2618 -6.0188 -6.0182 -5.9418 -5.9401 -5.6895 -5.6879 -5.3869 -5.3846 -4.6042 -4.6038 -3.9362 -3.9357 -3.0615 -3.0606 -2.8457 -2.8449 -2.5881 -2.5873 -1.9935 -1.9919 -1.2269 -1.2232 -1.1957 -1.1924 -0.8180 -0.8156 -0.6368 -0.6358 0.4005 0.4014 0.5121 0.5131 0.6436 0.6442 7.8516 7.8523 8.1013 8.1018 8.2669 8.2674 8.7994 8.8003 10.2411 10.2421 10.4401 10.4407 k = 0.2315 0.2753 0.6713 ( 5480 PWs) bands (ev): -19.7838 -19.7838 -19.5783 -19.5783 -19.5673 -19.5673 -19.4625 -19.4624 -13.7234 -13.7234 -11.5824 -11.5823 -10.8469 -10.8464 -10.7438 -10.7434 -7.6556 -7.6555 -7.1681 -7.1679 -6.2631 -6.2620 -6.0077 -6.0072 -5.9481 -5.9465 -5.6944 -5.6927 -5.3870 -5.3847 -4.6041 -4.6037 -3.9387 -3.9383 -3.0601 -3.0595 -2.8435 -2.8428 -2.5900 -2.5892 -1.9975 -1.9962 -1.2249 -1.2213 -1.1906 -1.1874 -0.8176 -0.8158 -0.6407 -0.6398 0.4030 0.4038 0.5123 0.5133 0.6447 0.6452 7.8608 7.8615 8.0974 8.0978 8.2671 8.2675 8.7936 8.7945 10.2331 10.2341 10.4426 10.4430 k = 0.2407 0.2663 0.6842 ( 5484 PWs) bands (ev): -19.7823 -19.7823 -19.5746 -19.5745 -19.5676 -19.5676 -19.4678 -19.4678 -13.7223 -13.7222 -11.5829 -11.5829 -10.8470 -10.8465 -10.7436 -10.7431 -7.6554 -7.6553 -7.1689 -7.1687 -6.2632 -6.2621 -5.9991 -5.9987 -5.9538 -5.9523 -5.6974 -5.6957 -5.3870 -5.3847 -4.6040 -4.6038 -3.9403 -3.9398 -3.0592 -3.0588 -2.8422 -2.8415 -2.5912 -2.5904 -1.9999 -1.9987 -1.2238 -1.2202 -1.1873 -1.1843 -0.8174 -0.8160 -0.6431 -0.6423 0.4046 0.4053 0.5124 0.5133 0.6454 0.6457 7.8670 7.8677 8.0931 8.0933 8.2690 8.2693 8.7899 8.7907 10.2282 10.2292 10.4442 10.4445 k = 0.2500 0.2573 0.6971 ( 5496 PWs) bands (ev): -19.7818 -19.7818 -19.5738 -19.5738 -19.5672 -19.5672 -19.4697 -19.4697 -13.7219 -13.7219 -11.5831 -11.5831 -10.8470 -10.8465 -10.7435 -10.7430 -7.6553 -7.6552 -7.1691 -7.1689 -6.2633 -6.2622 -5.9955 -5.9954 -5.9563 -5.9549 -5.6984 -5.6967 -5.3870 -5.3847 -4.6040 -4.6038 -3.9408 -3.9404 -3.0588 -3.0586 -2.8417 -2.8411 -2.5916 -2.5909 -2.0008 -1.9996 -1.2234 -1.2199 -1.1862 -1.1833 -0.8173 -0.8161 -0.6439 -0.6431 0.4051 0.4057 0.5124 0.5134 0.6456 0.6459 7.8692 7.8698 8.0914 8.0914 8.2699 8.2702 8.7886 8.7894 10.2266 10.2276 10.4447 10.4450 k = 0.2500 0.2573 0.6971 ( 5496 PWs) bands (ev): -19.7818 -19.7818 -19.5738 -19.5738 -19.5672 -19.5672 -19.4697 -19.4697 -13.7219 -13.7219 -11.5831 -11.5831 -10.8470 -10.8465 -10.7435 -10.7430 -7.6553 -7.6552 -7.1691 -7.1689 -6.2633 -6.2622 -5.9955 -5.9954 -5.9563 -5.9549 -5.6984 -5.6967 -5.3870 -5.3847 -4.6040 -4.6038 -3.9408 -3.9404 -3.0588 -3.0586 -2.8417 -2.8411 -2.5916 -2.5909 -2.0008 -1.9996 -1.2234 -1.2199 -1.1862 -1.1833 -0.8173 -0.8161 -0.6439 -0.6431 0.4051 0.4057 0.5124 0.5134 0.6456 0.6459 7.8692 7.8698 8.0914 8.0914 8.2699 8.2702 8.7886 8.7894 10.2266 10.2276 10.4447 10.4450 k = 0.2589 0.2665 0.6839 ( 5480 PWs) bands (ev): -19.7820 -19.7820 -19.5741 -19.5741 -19.5675 -19.5675 -19.4686 -19.4686 -13.7221 -13.7221 -11.5830 -11.5830 -10.8471 -10.8466 -10.7434 -10.7430 -7.6553 -7.6552 -7.1690 -7.1688 -6.2632 -6.2621 -5.9974 -5.9972 -5.9549 -5.9535 -5.6981 -5.6964 -5.3867 -5.3844 -4.6040 -4.6038 -3.9405 -3.9401 -3.0593 -3.0589 -2.8417 -2.8411 -2.5914 -2.5907 -2.0003 -1.9992 -1.2237 -1.2202 -1.1866 -1.1837 -0.8173 -0.8160 -0.6436 -0.6428 0.4051 0.4057 0.5122 0.5131 0.6457 0.6460 7.8674 7.8681 8.0925 8.0927 8.2697 8.2700 8.7899 8.7907 10.2274 10.2284 10.4449 10.4451 k = 0.2679 0.2757 0.6707 ( 5481 PWs) bands (ev): -19.7828 -19.7828 -19.5750 -19.5750 -19.5686 -19.5686 -19.4657 -19.4657 -13.7227 -13.7227 -11.5829 -11.5828 -10.8473 -10.8468 -10.7433 -10.7428 -7.6552 -7.6551 -7.1686 -7.1684 -6.2632 -6.2621 -6.0024 -6.0020 -5.9515 -5.9500 -5.6973 -5.6956 -5.3858 -5.3835 -4.6041 -4.6037 -3.9398 -3.9393 -3.0606 -3.0601 -2.8418 -2.8411 -2.5909 -2.5902 -1.9992 -1.9979 -1.2248 -1.2214 -1.1878 -1.1849 -0.8174 -0.8159 -0.6427 -0.6419 0.4051 0.4057 0.5114 0.5123 0.6458 0.6462 7.8620 7.8627 8.0961 8.0963 8.2694 8.2698 8.7934 8.7943 10.2297 10.2307 10.4450 10.4453 k = 0.2768 0.2849 0.6575 ( 5487 PWs) bands (ev): -19.7841 -19.7841 -19.5766 -19.5766 -19.5701 -19.5701 -19.4610 -19.4610 -13.7237 -13.7237 -11.5826 -11.5825 -10.8476 -10.8471 -10.7430 -10.7426 -7.6551 -7.6550 -7.1680 -7.1678 -6.2631 -6.2620 -6.0091 -6.0086 -5.9472 -5.9456 -5.6959 -5.6943 -5.3843 -5.3820 -4.6042 -4.6038 -3.9384 -3.9379 -3.0627 -3.0621 -2.8419 -2.8412 -2.5902 -2.5895 -1.9972 -1.9958 -1.2269 -1.2235 -1.1896 -1.1869 -0.8175 -0.8156 -0.6412 -0.6403 0.4052 0.4058 0.5102 0.5111 0.6459 0.6464 7.8531 7.8538 8.1020 8.1023 8.2695 8.2699 8.7988 8.7996 10.2334 10.2344 10.4446 10.4450 k = 0.2857 0.2941 0.6443 ( 5485 PWs) bands (ev): -19.7858 -19.7858 -19.5791 -19.5791 -19.5715 -19.5715 -19.4548 -19.4548 -13.7251 -13.7251 -11.5823 -11.5822 -10.8480 -10.8476 -10.7427 -10.7423 -7.6550 -7.6548 -7.1671 -7.1669 -6.2630 -6.2619 -6.0166 -6.0160 -5.9427 -5.9410 -5.6939 -5.6924 -5.3822 -5.3800 -4.6043 -4.6039 -3.9364 -3.9360 -3.0656 -3.0648 -2.8421 -2.8414 -2.5893 -2.5886 -1.9945 -1.9930 -1.2303 -1.2269 -1.1917 -1.1893 -0.8176 -0.8153 -0.6391 -0.6381 0.4053 0.4059 0.5087 0.5096 0.6459 0.6465 7.8409 7.8416 8.1100 8.1104 8.2704 8.2708 8.8054 8.8063 10.2380 10.2390 10.4431 10.4437 k = 0.2946 0.3033 0.6311 ( 5480 PWs) bands (ev): -19.7880 -19.7880 -19.5824 -19.5824 -19.5726 -19.5726 -19.4476 -19.4475 -13.7269 -13.7269 -11.5819 -11.5819 -10.8484 -10.8480 -10.7423 -10.7419 -7.6548 -7.6546 -7.1660 -7.1658 -6.2628 -6.2618 -6.0243 -6.0237 -5.9384 -5.9366 -5.6915 -5.6901 -5.3795 -5.3774 -4.6045 -4.6041 -3.9338 -3.9333 -3.0691 -3.0681 -2.8425 -2.8417 -2.5883 -2.5875 -1.9912 -1.9895 -1.2352 -1.2316 -1.1940 -1.1920 -0.8177 -0.8151 -0.6363 -0.6352 0.4055 0.4061 0.5070 0.5078 0.6456 0.6464 7.8259 7.8266 8.1197 8.1201 8.2724 8.2729 8.8129 8.8137 10.2432 10.2442 10.4398 10.4405 k = 0.3036 0.3125 0.6180 ( 5487 PWs) bands (ev): -19.7906 -19.7906 -19.5863 -19.5863 -19.5734 -19.5734 -19.4394 -19.4394 -13.7292 -13.7292 -11.5816 -11.5816 -10.8489 -10.8485 -10.7418 -10.7414 -7.6547 -7.6544 -7.1647 -7.1644 -6.2628 -6.2618 -6.0319 -6.0313 -5.9347 -5.9328 -5.6885 -5.6872 -5.3763 -5.3743 -4.6049 -4.6044 -3.9306 -3.9300 -3.0731 -3.0720 -2.8431 -2.8422 -2.5872 -2.5865 -1.9872 -1.9853 -1.2419 -1.2378 -1.1964 -1.1947 -0.8179 -0.8150 -0.6329 -0.6316 0.4057 0.4063 0.5052 0.5060 0.6451 0.6461 7.8087 7.8093 8.1307 8.1311 8.2759 8.2764 8.8206 8.8214 10.2484 10.2494 10.4336 10.4345 k = 0.3125 0.3217 0.6048 ( 5490 PWs) bands (ev): -19.7937 -19.7937 -19.5904 -19.5904 -19.5741 -19.5740 -19.4307 -19.4307 -13.7319 -13.7318 -11.5814 -11.5813 -10.8494 -10.8490 -10.7412 -10.7408 -7.6545 -7.6542 -7.1631 -7.1629 -6.2627 -6.2618 -6.0391 -6.0384 -5.9315 -5.9295 -5.6850 -5.6838 -5.3727 -5.3708 -4.6055 -4.6049 -3.9266 -3.9261 -3.0776 -3.0763 -2.8439 -2.8429 -2.5862 -2.5855 -1.9826 -1.9805 -1.2502 -1.2455 -1.1988 -1.1972 -0.8182 -0.8151 -0.6288 -0.6273 0.4057 0.4065 0.5035 0.5041 0.6444 0.6455 7.7897 7.7904 8.1425 8.1428 8.2811 8.2816 8.8281 8.8289 10.2528 10.2537 10.4233 10.4245 k = 0.3214 0.3309 0.5916 ( 5489 PWs) bands (ev): -19.7972 -19.7972 -19.5945 -19.5945 -19.5746 -19.5746 -19.4215 -19.4215 -13.7349 -13.7349 -11.5812 -11.5811 -10.8498 -10.8494 -10.7405 -10.7402 -7.6544 -7.6540 -7.1614 -7.1611 -6.2628 -6.2619 -6.0457 -6.0450 -5.9289 -5.9269 -5.6810 -5.6799 -5.3686 -5.3668 -4.6063 -4.6056 -3.9219 -3.9214 -3.0823 -3.0809 -2.8450 -2.8439 -2.5853 -2.5846 -1.9774 -1.9751 -1.2601 -1.2548 -1.2014 -1.1997 -0.8188 -0.8155 -0.6241 -0.6224 0.4056 0.4065 0.5017 0.5023 0.6434 0.6448 7.7696 7.7702 8.1545 8.1548 8.2882 8.2887 8.8349 8.8357 10.2551 10.2560 10.4082 10.4096 k = 0.3304 0.3401 0.5784 ( 5479 PWs) bands (ev): -19.8011 -19.8011 -19.5984 -19.5984 -19.5750 -19.5750 -19.4120 -19.4119 -13.7383 -13.7383 -11.5812 -11.5811 -10.8501 -10.8498 -10.7398 -10.7395 -7.6542 -7.6539 -7.1594 -7.1591 -6.2629 -6.2621 -6.0516 -6.0508 -5.9269 -5.9248 -5.6765 -5.6755 -5.3641 -5.3624 -4.6073 -4.6065 -3.9165 -3.9160 -3.0873 -3.0857 -2.8463 -2.8452 -2.5846 -2.5839 -1.9718 -1.9692 -1.2713 -1.2653 -1.2042 -1.2022 -0.8196 -0.8162 -0.6188 -0.6168 0.4053 0.4063 0.5002 0.5007 0.6423 0.6439 7.7487 7.7492 8.1662 8.1665 8.2972 8.2978 8.8408 8.8415 10.2534 10.2542 10.3887 10.3903 k = 0.3393 0.3492 0.5652 ( 5481 PWs) bands (ev): -19.8055 -19.8055 -19.6021 -19.6021 -19.5754 -19.5754 -19.4022 -19.4022 -13.7422 -13.7421 -11.5812 -11.5812 -10.8502 -10.8499 -10.7391 -10.7388 -7.6542 -7.6538 -7.1573 -7.1570 -6.2632 -6.2624 -6.0567 -6.0558 -5.9255 -5.9233 -5.6715 -5.6707 -5.3593 -5.3576 -4.6086 -4.6078 -3.9104 -3.9098 -3.0923 -3.0906 -2.8479 -2.8467 -2.5842 -2.5835 -1.9657 -1.9630 -1.2835 -1.2771 -1.2072 -1.2049 -0.8210 -0.8174 -0.6129 -0.6105 0.4045 0.4058 0.4988 0.4993 0.6410 0.6430 7.7274 7.7279 8.1771 8.1774 8.3084 8.3090 8.8454 8.8461 10.2445 10.2453 10.3680 10.3696 k = 0.3482 0.3584 0.5520 ( 5483 PWs) bands (ev): -19.8102 -19.8102 -19.6055 -19.6055 -19.5757 -19.5757 -19.3924 -19.3924 -13.7464 -13.7463 -11.5815 -11.5814 -10.8502 -10.8500 -10.7383 -10.7381 -7.6543 -7.6538 -7.1551 -7.1547 -6.2637 -6.2629 -6.0609 -6.0599 -5.9244 -5.9223 -5.6661 -5.6653 -5.3541 -5.3526 -4.6103 -4.6093 -3.9036 -3.9030 -3.0972 -3.0954 -2.8498 -2.8485 -2.5841 -2.5834 -1.9592 -1.9563 -1.2966 -1.2898 -1.2106 -1.2080 -0.8228 -0.8192 -0.6064 -0.6037 0.4034 0.4049 0.4977 0.4981 0.6398 0.6420 7.7062 7.7067 8.1864 8.1868 8.3219 8.3225 8.8487 8.8494 10.2257 10.2266 10.3502 10.3516 k = 0.3571 0.3676 0.5388 ( 5490 PWs) bands (ev): -19.8153 -19.8153 -19.6085 -19.6085 -19.5760 -19.5760 -19.3824 -19.3824 -13.7509 -13.7509 -11.5819 -11.5819 -10.8500 -10.8498 -10.7376 -10.7374 -7.6544 -7.6539 -7.1528 -7.1524 -6.2644 -6.2635 -6.0641 -6.0630 -5.9237 -5.9216 -5.6602 -5.6595 -5.3487 -5.3472 -4.6123 -4.6113 -3.8961 -3.8955 -3.1021 -3.1002 -2.8519 -2.8506 -2.5844 -2.5837 -1.9524 -1.9493 -1.3104 -1.3032 -1.2144 -1.2116 -0.8252 -0.8215 -0.5994 -0.5964 0.4018 0.4036 0.4968 0.4971 0.6386 0.6411 7.6854 7.6858 8.1936 8.1941 8.3376 8.3382 8.8509 8.8516 10.1973 10.1985 10.3367 10.3379 k = 0.3661 0.3768 0.5256 ( 5486 PWs) bands (ev): -19.8208 -19.8208 -19.6110 -19.6110 -19.5762 -19.5762 -19.3725 -19.3725 -13.7558 -13.7558 -11.5825 -11.5825 -10.8496 -10.8493 -10.7368 -10.7366 -7.6547 -7.6542 -7.1504 -7.1500 -6.2652 -6.2643 -6.0664 -6.0653 -5.9233 -5.9211 -5.6539 -5.6533 -5.3430 -5.3416 -4.6147 -4.6136 -3.8879 -3.8872 -3.1067 -3.1047 -2.8543 -2.8529 -2.5852 -2.5844 -1.9454 -1.9420 -1.3247 -1.3172 -1.2188 -1.2157 -0.8282 -0.8244 -0.5919 -0.5886 0.3998 0.4017 0.4961 0.4964 0.6375 0.6404 7.6651 7.6655 8.1979 8.1985 8.3556 8.3562 8.8522 8.8529 10.1630 10.1646 10.3254 10.3265 k = 0.3750 0.3860 0.5124 ( 5490 PWs) bands (ev): -19.8266 -19.8266 -19.6132 -19.6132 -19.5764 -19.5764 -19.3626 -19.3626 -13.7610 -13.7610 -11.5833 -11.5833 -10.8488 -10.8487 -10.7360 -10.7359 -7.6552 -7.6546 -7.1479 -7.1475 -6.2662 -6.2652 -6.0680 -6.0668 -5.9228 -5.9207 -5.6472 -5.6465 -5.3370 -5.3357 -4.6175 -4.6163 -3.8791 -3.8784 -3.1110 -3.1089 -2.8568 -2.8554 -2.5864 -2.5857 -1.9380 -1.9346 -1.3393 -1.3316 -1.2237 -1.2205 -0.8318 -0.8279 -0.5841 -0.5804 0.3973 0.3994 0.4956 0.4960 0.6366 0.6398 7.6456 7.6459 8.1988 8.1995 8.3756 8.3763 8.8532 8.8539 10.1264 10.1282 10.3140 10.3150 k = 0.3839 0.3952 0.4992 ( 5492 PWs) bands (ev): -19.8327 -19.8327 -19.6150 -19.6150 -19.5765 -19.5765 -19.3527 -19.3527 -13.7666 -13.7665 -11.5843 -11.5843 -10.8478 -10.8477 -10.7354 -10.7352 -7.6559 -7.6552 -7.1455 -7.1450 -6.2673 -6.2663 -6.0688 -6.0675 -5.9224 -5.9202 -5.6401 -5.6393 -5.3309 -5.3296 -4.6208 -4.6195 -3.8697 -3.8689 -3.1149 -3.1127 -2.8596 -2.8581 -2.5883 -2.5876 -1.9305 -1.9269 -1.3541 -1.3463 -1.2293 -1.2259 -0.8361 -0.8320 -0.5759 -0.5719 0.3944 0.3967 0.4953 0.4958 0.6359 0.6394 7.6268 7.6272 8.1958 8.1965 8.3974 8.3982 8.8546 8.8553 10.0900 10.0919 10.3008 10.3018 k = 0.3929 0.4044 0.4861 ( 5495 PWs) bands (ev): -19.8391 -19.8391 -19.6163 -19.6163 -19.5765 -19.5765 -19.3430 -19.3430 -13.7724 -13.7723 -11.5855 -11.5855 -10.8465 -10.8464 -10.7347 -10.7346 -7.6568 -7.6561 -7.1431 -7.1426 -6.2684 -6.2673 -6.0691 -6.0678 -5.9217 -5.9196 -5.6324 -5.6316 -5.3246 -5.3234 -4.6245 -4.6232 -3.8597 -3.8589 -3.1184 -3.1161 -2.8625 -2.8610 -2.5907 -2.5900 -1.9229 -1.9191 -1.3689 -1.3610 -1.2355 -1.2319 -0.8410 -0.8367 -0.5675 -0.5632 0.3911 0.3936 0.4952 0.4958 0.6354 0.6391 7.6090 7.6093 8.1884 8.1892 8.4207 8.4216 8.8573 8.8581 10.0548 10.0570 10.2855 10.2864 k = 0.4018 0.4136 0.4729 ( 5492 PWs) bands (ev): -19.8457 -19.8457 -19.6172 -19.6172 -19.5765 -19.5765 -19.3334 -19.3334 -13.7785 -13.7784 -11.5869 -11.5868 -10.8449 -10.8448 -10.7341 -10.7340 -7.6579 -7.6572 -7.1408 -7.1402 -6.2695 -6.2684 -6.0690 -6.0677 -5.9206 -5.9187 -5.6242 -5.6233 -5.3182 -5.3170 -4.6287 -4.6274 -3.8492 -3.8485 -3.1214 -3.1190 -2.8655 -2.8640 -2.5938 -2.5931 -1.9152 -1.9113 -1.3837 -1.3757 -1.2424 -1.2387 -0.8464 -0.8420 -0.5590 -0.5544 0.3875 0.3902 0.4953 0.4960 0.6351 0.6391 7.5920 7.5923 8.1765 8.1774 8.4452 8.4462 8.8621 8.8629 10.0217 10.0239 10.2680 10.2689 k = 0.4107 0.4228 0.4597 ( 5498 PWs) bands (ev): -19.8525 -19.8525 -19.6178 -19.6178 -19.5765 -19.5765 -19.3239 -19.3239 -13.7848 -13.7847 -11.5884 -11.5884 -10.8430 -10.8429 -10.7336 -10.7336 -7.6592 -7.6585 -7.1386 -7.1380 -6.2704 -6.2693 -6.0687 -6.0674 -5.9192 -5.9174 -5.6153 -5.6143 -5.3117 -5.3105 -4.6335 -4.6320 -3.8383 -3.8375 -3.1238 -3.1214 -2.8687 -2.8672 -2.5974 -2.5967 -1.9074 -1.9034 -1.3982 -1.3903 -1.2501 -1.2462 -0.8525 -0.8478 -0.5504 -0.5455 0.3838 0.3866 0.4957 0.4965 0.6349 0.6391 7.5756 7.5760 8.1600 8.1610 8.4706 8.4716 8.8697 8.8706 9.9906 9.9929 10.2486 10.2494 k = 0.4196 0.4320 0.4465 ( 5501 PWs) bands (ev): -19.8595 -19.8595 -19.6179 -19.6179 -19.5764 -19.5764 -19.3146 -19.3146 -13.7913 -13.7913 -11.5901 -11.5900 -10.8408 -10.8407 -10.7332 -10.7331 -7.6608 -7.6601 -7.1365 -7.1359 -6.2712 -6.2700 -6.0685 -6.0672 -5.9173 -5.9156 -5.6058 -5.6047 -5.3052 -5.3039 -4.6386 -4.6371 -3.8270 -3.8262 -3.1257 -3.1232 -2.8720 -2.8705 -2.6017 -2.6010 -1.8997 -1.8955 -1.4124 -1.4046 -1.2584 -1.2543 -0.8590 -0.8541 -0.5417 -0.5366 0.3800 0.3830 0.4962 0.4971 0.6347 0.6392 7.5598 7.5601 8.1394 8.1404 8.4966 8.4976 8.8808 8.8817 9.9615 9.9638 10.2278 10.2285 k = 0.4286 0.4412 0.4333 ( 5496 PWs) bands (ev): -19.8667 -19.8667 -19.6178 -19.6178 -19.5762 -19.5762 -19.3055 -19.3055 -13.7980 -13.7980 -11.5918 -11.5918 -10.8382 -10.8381 -10.7329 -10.7328 -7.6627 -7.6619 -7.1347 -7.1341 -6.2717 -6.2705 -6.0684 -6.0671 -5.9149 -5.9134 -5.5955 -5.5944 -5.2986 -5.2973 -4.6443 -4.6427 -3.8154 -3.8147 -3.1269 -3.1244 -2.8754 -2.8739 -2.6066 -2.6059 -1.8920 -1.8878 -1.4262 -1.4184 -1.2673 -1.2632 -0.8660 -0.8608 -0.5332 -0.5279 0.3764 0.3795 0.4970 0.4981 0.6346 0.6392 7.5440 7.5444 8.1153 8.1165 8.5227 8.5238 8.8956 8.8965 9.9342 9.9365 10.2061 10.2068 k = 0.4375 0.4503 0.4201 ( 5498 PWs) bands (ev): -19.8739 -19.8739 -19.6173 -19.6173 -19.5761 -19.5761 -19.2966 -19.2966 -13.8049 -13.8048 -11.5937 -11.5936 -10.8355 -10.8354 -10.7327 -10.7326 -7.6648 -7.6640 -7.1331 -7.1324 -6.2719 -6.2706 -6.0686 -6.0674 -5.9121 -5.9108 -5.5844 -5.5831 -5.2920 -5.2907 -4.6504 -4.6487 -3.8036 -3.8028 -3.1276 -3.1249 -2.8788 -2.8774 -2.6121 -2.6114 -1.8844 -1.8801 -1.4395 -1.4318 -1.2768 -1.2726 -0.8735 -0.8680 -0.5249 -0.5194 0.3730 0.3762 0.4981 0.4992 0.6342 0.6391 7.5279 7.5284 8.0888 8.0901 8.5489 8.5499 8.9142 8.9151 9.9082 9.9105 10.1840 10.1846 k = 0.4464 0.4595 0.4069 ( 5504 PWs) bands (ev): -19.8812 -19.8812 -19.6165 -19.6165 -19.5758 -19.5758 -19.2879 -19.2879 -13.8119 -13.8119 -11.5955 -11.5955 -10.8324 -10.8324 -10.7326 -10.7325 -7.6672 -7.6663 -7.1317 -7.1311 -6.2716 -6.2703 -6.0692 -6.0681 -5.9090 -5.9079 -5.5723 -5.5710 -5.2854 -5.2841 -4.6569 -4.6552 -3.7917 -3.7909 -3.1276 -3.1249 -2.8824 -2.8810 -2.6181 -2.6174 -1.8770 -1.8727 -1.4521 -1.4446 -1.2869 -1.2826 -0.8813 -0.8756 -0.5168 -0.5111 0.3699 0.3732 0.4994 0.5007 0.6337 0.6387 7.5110 7.5116 8.0611 8.0624 8.5748 8.5759 8.9363 8.9372 9.8834 9.8856 10.1621 10.1627 k = 0.4554 0.4687 0.3937 ( 5502 PWs) bands (ev): -19.8886 -19.8886 -19.6154 -19.6154 -19.5755 -19.5755 -19.2795 -19.2795 -13.8190 -13.8190 -11.5973 -11.5973 -10.8292 -10.8291 -10.7326 -10.7326 -7.6698 -7.6689 -7.1307 -7.1300 -6.2708 -6.2696 -6.0702 -6.0691 -5.9058 -5.9048 -5.5593 -5.5579 -5.2789 -5.2776 -4.6638 -4.6620 -3.7797 -3.7789 -3.1270 -3.1242 -2.8860 -2.8847 -2.6246 -2.6239 -1.8698 -1.8656 -1.4640 -1.4568 -1.2975 -1.2930 -0.8895 -0.8835 -0.5090 -0.5033 0.3674 0.3708 0.5010 0.5024 0.6328 0.6379 7.4926 7.4932 8.0336 8.0350 8.6004 8.6015 8.9615 8.9625 9.8594 9.8616 10.1409 10.1413 k = 0.4643 0.4779 0.3805 ( 5497 PWs) bands (ev): -19.8960 -19.8960 -19.6141 -19.6141 -19.5752 -19.5752 -19.2713 -19.2713 -13.8262 -13.8261 -11.5991 -11.5990 -10.8258 -10.8257 -10.7328 -10.7327 -7.6726 -7.6717 -7.1300 -7.1292 -6.2695 -6.2682 -6.0716 -6.0706 -5.9026 -5.9018 -5.5452 -5.5438 -5.2725 -5.2712 -4.6711 -4.6693 -3.7677 -3.7669 -3.1258 -3.1230 -2.8897 -2.8884 -2.6315 -2.6307 -1.8630 -1.8588 -1.4750 -1.4681 -1.3084 -1.3039 -0.8978 -0.8916 -0.5017 -0.4959 0.3655 0.3690 0.5029 0.5043 0.6314 0.6367 7.4720 7.4727 8.0076 8.0091 8.6255 8.6266 8.9894 8.9904 9.8360 9.8381 10.1206 10.1210 k = 0.4732 0.4871 0.3673 ( 5502 PWs) bands (ev): -19.9034 -19.9034 -19.6126 -19.6126 -19.5748 -19.5748 -19.2633 -19.2633 -13.8334 -13.8334 -11.6008 -11.6007 -10.8222 -10.8221 -10.7331 -10.7331 -7.6757 -7.6748 -7.1296 -7.1288 -6.2676 -6.2663 -6.0734 -6.0725 -5.8996 -5.8990 -5.5301 -5.5286 -5.2662 -5.2649 -4.6787 -4.6769 -3.7558 -3.7551 -3.1240 -3.1211 -2.8934 -2.8922 -2.6387 -2.6379 -1.8565 -1.8524 -1.4851 -1.4786 -1.3197 -1.3150 -0.9064 -0.9000 -0.4948 -0.4890 0.3643 0.3680 0.5051 0.5066 0.6296 0.6349 7.4486 7.4494 7.9846 7.9861 8.6501 8.6512 9.0192 9.0203 9.8131 9.8151 10.1016 10.1021 k = 0.4821 0.4963 0.3542 ( 5503 PWs) bands (ev): -19.9108 -19.9107 -19.6109 -19.6109 -19.5744 -19.5744 -19.2556 -19.2556 -13.8406 -13.8406 -11.6022 -11.6022 -10.8186 -10.8185 -10.7336 -10.7335 -7.6789 -7.6781 -7.1295 -7.1288 -6.2650 -6.2638 -6.0755 -6.0746 -5.8971 -5.8965 -5.5141 -5.5125 -5.2601 -5.2588 -4.6866 -4.6847 -3.7441 -3.7434 -3.1216 -3.1187 -2.8972 -2.8961 -2.6461 -2.6454 -1.8505 -1.8464 -1.4943 -1.4882 -1.3311 -1.3263 -0.9152 -0.9086 -0.4885 -0.4828 0.3639 0.3677 0.5075 0.5091 0.6272 0.6326 7.4221 7.4229 7.9655 7.9671 8.6742 8.6753 9.0504 9.0515 9.7908 9.7926 10.0842 10.0847 k = 0.4911 0.5055 0.3410 ( 5497 PWs) bands (ev): -19.9181 -19.9180 -19.6090 -19.6090 -19.5740 -19.5740 -19.2482 -19.2482 -13.8479 -13.8478 -11.6035 -11.6034 -10.8148 -10.8147 -10.7342 -10.7341 -7.6824 -7.6815 -7.1298 -7.1290 -6.2619 -6.2607 -6.0779 -6.0770 -5.8952 -5.8946 -5.4971 -5.4955 -5.2541 -5.2528 -4.6948 -4.6929 -3.7327 -3.7319 -3.1187 -3.1157 -2.9010 -2.8999 -2.6537 -2.6530 -1.8451 -1.8411 -1.5024 -1.4967 -1.3425 -1.3376 -0.9240 -0.9173 -0.4828 -0.4771 0.3643 0.3683 0.5102 0.5119 0.6241 0.6297 7.3921 7.3929 7.9512 7.9527 8.6978 8.6989 9.0822 9.0832 9.7690 9.7708 10.0684 10.0689 k = 0.5000 0.5147 0.3278 ( 5494 PWs) bands (ev): -19.9253 -19.9253 -19.6069 -19.6069 -19.5735 -19.5735 -19.2410 -19.2410 -13.8550 -13.8550 -11.6045 -11.6044 -10.8111 -10.8110 -10.7350 -10.7349 -7.6860 -7.6851 -7.1303 -7.1296 -6.2581 -6.2570 -6.0805 -6.0796 -5.8939 -5.8934 -5.4793 -5.4776 -5.2483 -5.2470 -4.7031 -4.7012 -3.7216 -3.7208 -3.1152 -3.1121 -2.9048 -2.9038 -2.6613 -2.6606 -1.8403 -1.8363 -1.5093 -1.5043 -1.3538 -1.3489 -0.9329 -0.9260 -0.4777 -0.4721 0.3656 0.3697 0.5132 0.5149 0.6205 0.6261 7.3587 7.3595 7.9419 7.9434 8.7210 8.7221 9.1137 9.1148 9.7482 9.7498 10.0544 10.0549 k = 0.5000 0.5147 0.3278 ( 5494 PWs) bands (ev): -19.9253 -19.9253 -19.6069 -19.6069 -19.5735 -19.5735 -19.2410 -19.2410 -13.8550 -13.8550 -11.6045 -11.6044 -10.8111 -10.8110 -10.7350 -10.7349 -7.6860 -7.6851 -7.1303 -7.1296 -6.2581 -6.2570 -6.0805 -6.0796 -5.8939 -5.8934 -5.4793 -5.4776 -5.2483 -5.2470 -4.7031 -4.7012 -3.7216 -3.7208 -3.1152 -3.1121 -2.9048 -2.9038 -2.6613 -2.6606 -1.8403 -1.8363 -1.5093 -1.5043 -1.3538 -1.3489 -0.9329 -0.9260 -0.4777 -0.4721 0.3656 0.3697 0.5132 0.5149 0.6205 0.6261 7.3587 7.3595 7.9419 7.9434 8.7210 8.7221 9.1137 9.1148 9.7482 9.7498 10.0544 10.0549 k = 0.5000 0.5147 0.3096 ( 5502 PWs) bands (ev): -19.9351 -19.9351 -19.6039 -19.6039 -19.5728 -19.5728 -19.2315 -19.2315 -13.8648 -13.8648 -11.6057 -11.6056 -10.8059 -10.8058 -10.7362 -10.7361 -7.6912 -7.6903 -7.1317 -7.1310 -6.2520 -6.2509 -6.0842 -6.0833 -5.8927 -5.8923 -5.4541 -5.4524 -5.2404 -5.2391 -4.7150 -4.7131 -3.7067 -3.7060 -3.1097 -3.1065 -2.9097 -2.9088 -2.6722 -2.6714 -1.8350 -1.8311 -1.5173 -1.5130 -1.3691 -1.3641 -0.9452 -0.9382 -0.4718 -0.4664 0.3687 0.3729 0.5173 0.5193 0.6151 0.6208 7.3094 7.3101 7.9347 7.9361 8.7535 8.7546 9.1560 9.1570 9.7205 9.7220 10.0363 10.0368 k = 0.5000 0.5147 0.2914 ( 5506 PWs) bands (ev): -19.9446 -19.9446 -19.6008 -19.6008 -19.5721 -19.5721 -19.2226 -19.2226 -13.8745 -13.8744 -11.6069 -11.6068 -10.8007 -10.8006 -10.7374 -10.7373 -7.6964 -7.6956 -7.1337 -7.1329 -6.2450 -6.2439 -6.0880 -6.0872 -5.8916 -5.8912 -5.4286 -5.4269 -5.2322 -5.2309 -4.7275 -4.7255 -3.6924 -3.6917 -3.1035 -3.1002 -2.9142 -2.9133 -2.6839 -2.6831 -1.8317 -1.8279 -1.5233 -1.5201 -1.3838 -1.3789 -0.9577 -0.9506 -0.4671 -0.4620 0.3731 0.3775 0.5215 0.5235 0.6098 0.6156 7.2587 7.2593 7.9310 7.9323 8.7874 8.7885 9.1963 9.1974 9.6935 9.6949 10.0185 10.0189 k = 0.5000 0.5147 0.2731 ( 5514 PWs) bands (ev): -19.9537 -19.9537 -19.5976 -19.5976 -19.5715 -19.5715 -19.2142 -19.2142 -13.8839 -13.8838 -11.6080 -11.6080 -10.7955 -10.7954 -10.7385 -10.7385 -7.7018 -7.7010 -7.1361 -7.1354 -6.2371 -6.2361 -6.0919 -6.0911 -5.8906 -5.8902 -5.4030 -5.4012 -5.2238 -5.2226 -4.7403 -4.7383 -3.6787 -3.6780 -3.0966 -3.0933 -2.9181 -2.9173 -2.6963 -2.6954 -1.8305 -1.8267 -1.5275 -1.5252 -1.3980 -1.3931 -0.9702 -0.9631 -0.4637 -0.4587 0.3787 0.3833 0.5255 0.5277 0.6047 0.6105 7.2075 7.2081 7.9301 7.9313 8.8226 8.8237 9.2342 9.2353 9.6675 9.6688 10.0008 10.0013 k = 0.5000 0.5147 0.2549 ( 5510 PWs) bands (ev): -19.9624 -19.9624 -19.5943 -19.5943 -19.5708 -19.5708 -19.2063 -19.2063 -13.8930 -13.8929 -11.6091 -11.6091 -10.7904 -10.7903 -10.7396 -10.7395 -7.7072 -7.7064 -7.1389 -7.1383 -6.2286 -6.2276 -6.0958 -6.0951 -5.8896 -5.8893 -5.3774 -5.3757 -5.2154 -5.2142 -4.7535 -4.7515 -3.6657 -3.6651 -3.0891 -3.0857 -2.9214 -2.9207 -2.7093 -2.7084 -1.8314 -1.8275 -1.5298 -1.5284 -1.4113 -1.4066 -0.9826 -0.9755 -0.4612 -0.4566 0.3853 0.3901 0.5295 0.5318 0.5998 0.6057 7.1567 7.1572 7.9315 7.9326 8.8588 8.8599 9.2695 9.2705 9.6426 9.6438 9.9834 9.9838 k = 0.5000 0.5147 0.2367 ( 5510 PWs) bands (ev): -19.9706 -19.9706 -19.5910 -19.5910 -19.5702 -19.5702 -19.1989 -19.1989 -13.9017 -13.9017 -11.6102 -11.6101 -10.7853 -10.7853 -10.7406 -10.7406 -7.7126 -7.7119 -7.1421 -7.1415 -6.2195 -6.2186 -6.0997 -6.0990 -5.8887 -5.8884 -5.3521 -5.3504 -5.2070 -5.2058 -4.7669 -4.7650 -3.6536 -3.6530 -3.0809 -3.0775 -2.9242 -2.9235 -2.7230 -2.7221 -1.8344 -1.8304 -1.5305 -1.5298 -1.4238 -1.4192 -0.9949 -0.9879 -0.4597 -0.4554 0.3926 0.3977 0.5334 0.5358 0.5951 0.6010 7.1070 7.1075 7.9346 7.9357 8.8960 8.8971 9.3019 9.3029 9.6189 9.6200 9.9663 9.9666 k = 0.5000 0.5147 0.2185 ( 5504 PWs) bands (ev): -19.9783 -19.9783 -19.5878 -19.5878 -19.5696 -19.5696 -19.1921 -19.1921 -13.9101 -13.9100 -11.6112 -11.6112 -10.7805 -10.7804 -10.7415 -10.7415 -7.7179 -7.7172 -7.1455 -7.1449 -6.2100 -6.2091 -6.1036 -6.1029 -5.8878 -5.8876 -5.3273 -5.3255 -5.1986 -5.1976 -4.7805 -4.7785 -3.6423 -3.6417 -3.0721 -3.0686 -2.9264 -2.9258 -2.7373 -2.7362 -1.8390 -1.8350 -1.5300 -1.5292 -1.4352 -1.4308 -1.0068 -1.0000 -0.4590 -0.4550 0.4006 0.4057 0.5372 0.5396 0.5907 0.5966 7.0590 7.0595 7.9391 7.9400 8.9338 8.9349 9.3313 9.3322 9.5966 9.5976 9.9494 9.9497 k = 0.5000 0.5147 0.2003 ( 5506 PWs) bands (ev): -19.9855 -19.9855 -19.5847 -19.5847 -19.5690 -19.5690 -19.1858 -19.1858 -13.9180 -13.9179 -11.6122 -11.6121 -10.7758 -10.7757 -10.7425 -10.7424 -7.7231 -7.7224 -7.1491 -7.1485 -6.2003 -6.1995 -6.1073 -6.1067 -5.8871 -5.8868 -5.3030 -5.3013 -5.1906 -5.1896 -4.7941 -4.7922 -3.6319 -3.6314 -3.0627 -3.0592 -2.9281 -2.9275 -2.7521 -2.7509 -1.8452 -1.8411 -1.5284 -1.5270 -1.4457 -1.4415 -1.0185 -1.0119 -0.4589 -0.4552 0.4088 0.4141 0.5409 0.5434 0.5867 0.5925 7.0133 7.0137 7.9444 7.9453 8.9722 8.9733 9.3577 9.3585 9.5758 9.5767 9.9329 9.9332 k = 0.5000 0.5147 0.1821 ( 5502 PWs) bands (ev): -19.9922 -19.9922 -19.5817 -19.5817 -19.5685 -19.5685 -19.1801 -19.1801 -13.9254 -13.9253 -11.6131 -11.6131 -10.7713 -10.7712 -10.7433 -10.7433 -7.7281 -7.7275 -7.1527 -7.1522 -6.1905 -6.1898 -6.1109 -6.1104 -5.8863 -5.8861 -5.2795 -5.2778 -5.1828 -5.1819 -4.8076 -4.8057 -3.6224 -3.6219 -3.0527 -3.0492 -2.9293 -2.9288 -2.7672 -2.7660 -1.8524 -1.8484 -1.5257 -1.5239 -1.4550 -1.4512 -1.0295 -1.0232 -0.4593 -0.4560 0.4171 0.4224 0.5444 0.5469 0.5830 0.5886 6.9702 6.9705 7.9504 7.9512 9.0108 9.0119 9.3810 9.3817 9.5567 9.5575 9.9170 9.9172 k = 0.5000 0.5147 0.1639 ( 5502 PWs) bands (ev): -19.9983 -19.9983 -19.5790 -19.5789 -19.5680 -19.5680 -19.1749 -19.1749 -13.9322 -13.9321 -11.6139 -11.6139 -10.7671 -10.7670 -10.7441 -10.7440 -7.7328 -7.7323 -7.1563 -7.1558 -6.1810 -6.1803 -6.1143 -6.1138 -5.8857 -5.8855 -5.2570 -5.2554 -5.1754 -5.1746 -4.8209 -4.8191 -3.6139 -3.6135 -3.0421 -3.0386 -2.9300 -2.9295 -2.7828 -2.7814 -1.8602 -1.8564 -1.5223 -1.5202 -1.4633 -1.4598 -1.0400 -1.0340 -0.4601 -0.4571 0.4252 0.4305 0.5479 0.5504 0.5797 0.5851 6.9302 6.9305 7.9566 7.9573 9.0494 9.0505 9.4014 9.4020 9.5392 9.5400 9.9019 9.9020 k = 0.5000 0.5147 0.1457 ( 5494 PWs) bands (ev): -20.0038 -20.0037 -19.5763 -19.5763 -19.5675 -19.5675 -19.1703 -19.1703 -13.9384 -13.9384 -11.6147 -11.6147 -10.7632 -10.7631 -10.7447 -10.7447 -7.7372 -7.7368 -7.1597 -7.1593 -6.1717 -6.1711 -6.1174 -6.1170 -5.8851 -5.8849 -5.2357 -5.2342 -5.1685 -5.1678 -4.8338 -4.8321 -3.6064 -3.6060 -3.0310 -3.0275 -2.9303 -2.9299 -2.7986 -2.7971 -1.8684 -1.8648 -1.5184 -1.5161 -1.4706 -1.4674 -1.0498 -1.0442 -0.4612 -0.4585 0.4330 0.4382 0.5511 0.5536 0.5768 0.5819 6.8936 6.8938 7.9629 7.9635 9.0875 9.0886 9.4189 9.4195 9.5236 9.5243 9.8877 9.8878 k = 0.5000 0.5147 0.1275 ( 5502 PWs) bands (ev): -20.0086 -20.0086 -19.5740 -19.5740 -19.5671 -19.5671 -19.1663 -19.1663 -13.9440 -13.9440 -11.6154 -11.6154 -10.7597 -10.7596 -10.7454 -10.7453 -7.7413 -7.7409 -7.1629 -7.1626 -6.1630 -6.1624 -6.1203 -6.1199 -5.8846 -5.8845 -5.2159 -5.2144 -5.1622 -5.1616 -4.8462 -4.8445 -3.5998 -3.5995 -3.0194 -3.0159 -2.9303 -2.9299 -2.8145 -2.8129 -1.8765 -1.8733 -1.5143 -1.5119 -1.4768 -1.4740 -1.0587 -1.0536 -0.4623 -0.4600 0.4402 0.4452 0.5542 0.5566 0.5743 0.5790 6.8606 6.8608 7.9690 7.9695 9.1247 9.1257 9.4339 9.4344 9.5100 9.5106 9.8746 9.8747 k = 0.5000 0.5147 0.1093 ( 5504 PWs) bands (ev): -20.0129 -20.0129 -19.5719 -19.5719 -19.5668 -19.5668 -19.1628 -19.1628 -13.9489 -13.9489 -11.6160 -11.6160 -10.7565 -10.7565 -10.7459 -10.7459 -7.7450 -7.7446 -7.1659 -7.1656 -6.1550 -6.1545 -6.1228 -6.1225 -5.8842 -5.8841 -5.1977 -5.1963 -5.1566 -5.1560 -4.8577 -4.8562 -3.5942 -3.5939 -3.0073 -3.0038 -2.9301 -2.9297 -2.8306 -2.8288 -1.8842 -1.8813 -1.5102 -1.5079 -1.4821 -1.4796 -1.0666 -1.0621 -0.4635 -0.4615 0.4467 0.4514 0.5570 0.5594 0.5724 0.5764 6.8316 6.8318 7.9747 7.9751 9.1602 9.1612 9.4464 9.4468 9.4984 9.4990 9.8629 9.8629 k = 0.5000 0.5147 0.0910 ( 5496 PWs) bands (ev): -20.0165 -20.0165 -19.5701 -19.5701 -19.5665 -19.5665 -19.1598 -19.1598 -13.9531 -13.9531 -11.6165 -11.6165 -10.7538 -10.7538 -10.7463 -10.7463 -7.7481 -7.7478 -7.1685 -7.1682 -6.1479 -6.1475 -6.1250 -6.1247 -5.8839 -5.8838 -5.1814 -5.1802 -5.1516 -5.1512 -4.8683 -4.8670 -3.5895 -3.5892 -2.9947 -2.9913 -2.9297 -2.9293 -2.8466 -2.8448 -1.8912 -1.8888 -1.5063 -1.5042 -1.4864 -1.4843 -1.0734 -1.0695 -0.4646 -0.4630 0.4525 0.4567 0.5595 0.5618 0.5709 0.5742 6.8067 6.8068 7.9798 7.9802 9.1934 9.1943 9.4566 9.4569 9.4891 9.4895 9.8526 9.8526 k = 0.5000 0.5147 0.0728 ( 5496 PWs) bands (ev): -20.0195 -20.0195 -19.5686 -19.5686 -19.5662 -19.5662 -19.1574 -19.1574 -13.9566 -13.9566 -11.6170 -11.6169 -10.7516 -10.7515 -10.7467 -10.7467 -7.7508 -7.7505 -7.1707 -7.1704 -6.1419 -6.1416 -6.1268 -6.1265 -5.8836 -5.8835 -5.1674 -5.1663 -5.1475 -5.1471 -4.8776 -4.8765 -3.5857 -3.5855 -2.9817 -2.9784 -2.9292 -2.9288 -2.8626 -2.8606 -1.8973 -1.8953 -1.5028 -1.5010 -1.4898 -1.4882 -1.0790 -1.0759 -0.4656 -0.4643 0.4574 0.4610 0.5616 0.5638 0.5700 0.5724 6.7861 6.7862 7.9842 7.9845 9.2231 9.2239 9.4648 9.4650 9.4820 9.4824 9.8440 9.8440 k = 0.5000 0.5147 0.0546 ( 5498 PWs) bands (ev): -20.0218 -20.0218 -19.5674 -19.5673 -19.5660 -19.5660 -19.1555 -19.1555 -13.9593 -13.9593 -11.6173 -11.6173 -10.7498 -10.7498 -10.7470 -10.7470 -7.7529 -7.7527 -7.1724 -7.1722 -6.1372 -6.1369 -6.1281 -6.1279 -5.8834 -5.8833 -5.1558 -5.1550 -5.1442 -5.1439 -4.8854 -4.8845 -3.5828 -3.5826 -2.9683 -2.9650 -2.9287 -2.9283 -2.8784 -2.8763 -1.9022 -1.9007 -1.4999 -1.4985 -1.4924 -1.4911 -1.0834 -1.0810 -0.4664 -0.4655 0.4613 0.4642 0.5632 0.5652 0.5696 0.5709 6.7699 6.7700 7.9877 7.9879 9.2482 9.2488 9.4707 9.4709 9.4773 9.4776 9.8372 9.8372 k = 0.5000 0.5147 0.0364 ( 5500 PWs) bands (ev): -20.0235 -20.0235 -19.5665 -19.5665 -19.5659 -19.5659 -19.1541 -19.1541 -13.9613 -13.9613 -11.6176 -11.6176 -10.7485 -10.7485 -10.7472 -10.7472 -7.7544 -7.7543 -7.1737 -7.1736 -6.1339 -6.1338 -6.1288 -6.1287 -5.8833 -5.8832 -5.1472 -5.1466 -5.1418 -5.1416 -4.8912 -4.8905 -3.5807 -3.5806 -2.9545 -2.9514 -2.9283 -2.9279 -2.8939 -2.8917 -1.9057 -1.9047 -1.4976 -1.4967 -1.4941 -1.4933 -1.0865 -1.0849 -0.4670 -0.4663 0.4643 0.4663 0.5643 0.5660 0.5696 0.5701 6.7583 6.7583 7.9903 7.9905 9.2673 9.2677 9.4727 9.4732 9.4765 9.4769 9.8322 9.8322 k = 0.5000 0.5147 0.0182 ( 5512 PWs) bands (ev): -20.0245 -20.0245 -19.5660 -19.5660 -19.5658 -19.5658 -19.1534 -19.1534 -13.9625 -13.9625 -11.6177 -11.6177 -10.7479 -10.7479 -10.7472 -10.7472 -7.7553 -7.7553 -7.1745 -7.1744 -6.1324 -6.1323 -6.1288 -6.1287 -5.8832 -5.8832 -5.1420 -5.1417 -5.1402 -5.1401 -4.8948 -4.8944 -3.5794 -3.5794 -2.9408 -2.9376 -2.9281 -2.9273 -2.9088 -2.9067 -1.9078 -1.9073 -1.4961 -1.4957 -1.4950 -1.4947 -1.0882 -1.0874 -0.4673 -0.4670 0.4664 0.4674 0.5650 0.5660 0.5698 0.5698 6.7512 6.7513 7.9919 7.9920 9.2793 9.2795 9.4719 9.4721 9.4786 9.4788 9.8292 9.8292 k = 0.5000 0.5147-0.0000 ( 5498 PWs) bands (ev): -20.0248 -20.0248 -19.5658 -19.5658 -19.5658 -19.5658 -19.1531 -19.1531 -13.9628 -13.9628 -11.6178 -11.6178 -10.7477 -10.7477 -10.7471 -10.7471 -7.7556 -7.7556 -7.1747 -7.1747 -6.1320 -6.1320 -6.1285 -6.1285 -5.8832 -5.8832 -5.1404 -5.1404 -5.1393 -5.1393 -4.8959 -4.8959 -3.5790 -3.5790 -2.9306 -2.9306 -2.9254 -2.9254 -2.9189 -2.9189 -1.9083 -1.9083 -1.4954 -1.4954 -1.4953 -1.4953 -1.0885 -1.0885 -0.4673 -0.4673 0.4674 0.4674 0.5656 0.5656 0.5698 0.5698 6.7489 6.7489 7.9925 7.9925 9.2835 9.2835 9.4717 9.4717 9.4795 9.4795 9.8282 9.8282 k = 0.0000 0.0000 0.6971 ( 5490 PWs) bands (ev): -19.7824 -19.7824 -19.5832 -19.5832 -19.5577 -19.5577 -19.4689 -19.4689 -13.7209 -13.7209 -11.5884 -11.5884 -10.8720 -10.8720 -10.7170 -10.7170 -7.6349 -7.6349 -7.1723 -7.1723 -6.2632 -6.2632 -6.0024 -6.0024 -5.9602 -5.9602 -5.7571 -5.7571 -5.3045 -5.3045 -4.6030 -4.6030 -3.9470 -3.9470 -3.1290 -3.1290 -2.7842 -2.7842 -2.6003 -2.6003 -2.0051 -2.0051 -1.2485 -1.2485 -1.1552 -1.1552 -0.8183 -0.8183 -0.6804 -0.6804 0.4520 0.4520 0.4756 0.4756 0.6919 0.6919 7.7120 7.7120 8.1441 8.1441 8.3596 8.3596 8.9654 8.9654 10.2273 10.2273 10.3439 10.3439 k = 0.0125 0.0129 0.6971 ( 5492 PWs) bands (ev): -19.7824 -19.7824 -19.5831 -19.5831 -19.5577 -19.5577 -19.4689 -19.4689 -13.7209 -13.7209 -11.5884 -11.5884 -10.8719 -10.8719 -10.7172 -10.7172 -7.6351 -7.6351 -7.1723 -7.1723 -6.2633 -6.2632 -6.0024 -6.0024 -5.9602 -5.9601 -5.7568 -5.7567 -5.3050 -5.3048 -4.6030 -4.6030 -3.9469 -3.9469 -3.1286 -3.1286 -2.7845 -2.7844 -2.6003 -2.6003 -2.0051 -2.0050 -1.2484 -1.2483 -1.1554 -1.1553 -0.8183 -0.8182 -0.6802 -0.6801 0.4523 0.4523 0.4752 0.4752 0.6917 0.6917 7.7128 7.7129 8.1438 8.1438 8.3590 8.3591 8.9644 8.9645 10.2298 10.2299 10.3417 10.3419 k = 0.0250 0.0257 0.6971 ( 5492 PWs) bands (ev): -19.7824 -19.7824 -19.5830 -19.5830 -19.5578 -19.5578 -19.4690 -19.4689 -13.7209 -13.7209 -11.5883 -11.5883 -10.8715 -10.8715 -10.7176 -10.7176 -7.6355 -7.6354 -7.1722 -7.1722 -6.2633 -6.2631 -6.0022 -6.0022 -5.9602 -5.9600 -5.7560 -5.7558 -5.3064 -5.3061 -4.6031 -4.6030 -3.9468 -3.9468 -3.1275 -3.1275 -2.7853 -2.7853 -2.6002 -2.6001 -2.0051 -2.0049 -1.2481 -1.2478 -1.1558 -1.1557 -0.8183 -0.8181 -0.6796 -0.6795 0.4531 0.4532 0.4740 0.4740 0.6911 0.6911 7.7154 7.7154 8.1427 8.1428 8.3573 8.3573 8.9616 8.9617 10.2375 10.2377 10.3355 10.3358 k = 0.0375 0.0386 0.6971 ( 5496 PWs) bands (ev): -19.7824 -19.7824 -19.5828 -19.5828 -19.5580 -19.5580 -19.4690 -19.4690 -13.7209 -13.7209 -11.5882 -11.5881 -10.8709 -10.8708 -10.7183 -10.7182 -7.6361 -7.6361 -7.1721 -7.1721 -6.2633 -6.2631 -6.0020 -6.0020 -5.9601 -5.9598 -5.7546 -5.7543 -5.3086 -5.3082 -4.6031 -4.6030 -3.9467 -3.9466 -3.1257 -3.1257 -2.7868 -2.7867 -2.5999 -2.5998 -2.0050 -2.0047 -1.2476 -1.2472 -1.1565 -1.1563 -0.8183 -0.8180 -0.6786 -0.6785 0.4545 0.4545 0.4721 0.4721 0.6900 0.6900 7.7195 7.7196 8.1410 8.1411 8.3544 8.3545 8.9570 8.9571 10.2503 10.2505 10.3262 10.3266 k = 0.0500 0.0515 0.6971 ( 5496 PWs) bands (ev): -19.7824 -19.7824 -19.5826 -19.5826 -19.5583 -19.5583 -19.4690 -19.4690 -13.7210 -13.7210 -11.5879 -11.5879 -10.8700 -10.8699 -10.7192 -10.7191 -7.6369 -7.6369 -7.1720 -7.1719 -6.2633 -6.2630 -6.0017 -6.0017 -5.9600 -5.9596 -5.7526 -5.7522 -5.3116 -5.3111 -4.6032 -4.6031 -3.9464 -3.9463 -3.1232 -3.1232 -2.7887 -2.7886 -2.5996 -2.5994 -2.0048 -2.0044 -1.2468 -1.2463 -1.1575 -1.1572 -0.8182 -0.8178 -0.6773 -0.6771 0.4562 0.4563 0.4696 0.4696 0.6886 0.6886 7.7253 7.7254 8.1387 8.1387 8.3505 8.3507 8.9506 8.9508 10.2680 10.2682 10.3149 10.3155 k = 0.0625 0.0643 0.6971 ( 5496 PWs) bands (ev): -19.7823 -19.7823 -19.5823 -19.5823 -19.5586 -19.5586 -19.4690 -19.4690 -13.7210 -13.7210 -11.5877 -11.5876 -10.8689 -10.8688 -10.7204 -10.7203 -7.6380 -7.6379 -7.1718 -7.1718 -6.2633 -6.2629 -6.0014 -6.0014 -5.9598 -5.9593 -5.7500 -5.7496 -5.3154 -5.3147 -4.6032 -4.6031 -3.9461 -3.9460 -3.1201 -3.1201 -2.7912 -2.7910 -2.5992 -2.5989 -2.0046 -2.0041 -1.2458 -1.2452 -1.1587 -1.1583 -0.8181 -0.8177 -0.6756 -0.6753 0.4581 0.4582 0.4667 0.4669 0.6867 0.6868 7.7325 7.7327 8.1358 8.1359 8.3457 8.3459 8.9426 8.9429 10.2903 10.2907 10.3026 10.3032 k = 0.0750 0.0772 0.6971 ( 5492 PWs) bands (ev): -19.7823 -19.7823 -19.5819 -19.5819 -19.5590 -19.5590 -19.4691 -19.4691 -13.7211 -13.7211 -11.5874 -11.5873 -10.8676 -10.8675 -10.7218 -10.7216 -7.6392 -7.6391 -7.1717 -7.1716 -6.2634 -6.2629 -6.0009 -6.0009 -5.9596 -5.9589 -5.7470 -5.7464 -5.3199 -5.3190 -4.6033 -4.6031 -3.9458 -3.9456 -3.1164 -3.1163 -2.7942 -2.7939 -2.5987 -2.5983 -2.0043 -2.0038 -1.2446 -1.2439 -1.1601 -1.1597 -0.8180 -0.8175 -0.6735 -0.6732 0.4583 0.4587 0.4652 0.4657 0.6845 0.6846 7.7410 7.7413 8.1325 8.1326 8.3402 8.3404 8.9331 8.9334 10.2900 10.2908 10.3173 10.3176 k = 0.0875 0.0901 0.6971 ( 5498 PWs) bands (ev): -19.7823 -19.7823 -19.5814 -19.5814 -19.5594 -19.5594 -19.4691 -19.4691 -13.7211 -13.7211 -11.5870 -11.5870 -10.8661 -10.8660 -10.7234 -10.7232 -7.6405 -7.6405 -7.1714 -7.1713 -6.2634 -6.2628 -6.0005 -6.0004 -5.9593 -5.9586 -5.7435 -5.7428 -5.3249 -5.3240 -4.6033 -4.6032 -3.9454 -3.9451 -3.1122 -3.1121 -2.7975 -2.7973 -2.5981 -2.5977 -2.0040 -2.0034 -1.2433 -1.2424 -1.1618 -1.1612 -0.8179 -0.8173 -0.6712 -0.6709 0.4553 0.4557 0.4671 0.4676 0.6820 0.6820 7.7508 7.7510 8.1288 8.1289 8.3340 8.3342 8.9222 8.9226 10.2779 10.2788 10.3483 10.3486 k = 0.1000 0.1029 0.6971 ( 5498 PWs) bands (ev): -19.7822 -19.7822 -19.5809 -19.5809 -19.5599 -19.5599 -19.4692 -19.4692 -13.7212 -13.7212 -11.5866 -11.5866 -10.8645 -10.8643 -10.7251 -10.7249 -7.6420 -7.6420 -7.1712 -7.1711 -6.2634 -6.2627 -6.0000 -5.9999 -5.9590 -5.9582 -5.7396 -5.7389 -5.3305 -5.3295 -4.6034 -4.6032 -3.9449 -3.9447 -3.1075 -3.1074 -2.8013 -2.8010 -2.5975 -2.5970 -2.0037 -2.0030 -1.2418 -1.2407 -1.1637 -1.1630 -0.8178 -0.8172 -0.6687 -0.6683 0.4508 0.4512 0.4705 0.4710 0.6791 0.6792 7.7615 7.7618 8.1249 8.1249 8.3274 8.3276 8.9102 8.9107 10.2668 10.2677 10.3830 10.3835 k = 0.1125 0.1158 0.6971 ( 5490 PWs) bands (ev): -19.7822 -19.7822 -19.5804 -19.5804 -19.5605 -19.5605 -19.4692 -19.4692 -13.7213 -13.7213 -11.5862 -11.5862 -10.8627 -10.8624 -10.7270 -10.7268 -7.6436 -7.6435 -7.1710 -7.1708 -6.2634 -6.2626 -5.9994 -5.9994 -5.9587 -5.9578 -5.7354 -5.7345 -5.3365 -5.3353 -4.6035 -4.6033 -3.9444 -3.9442 -3.1024 -3.1023 -2.8054 -2.8050 -2.5968 -2.5963 -2.0033 -2.0026 -1.2401 -1.2388 -1.1657 -1.1649 -0.8177 -0.8170 -0.6660 -0.6655 0.4457 0.4462 0.4745 0.4751 0.6760 0.6761 7.7730 7.7733 8.1208 8.1208 8.3205 8.3207 8.8973 8.8978 10.2569 10.2579 10.4212 10.4217 k = 0.1250 0.1287 0.6971 ( 5494 PWs) bands (ev): -19.7821 -19.7821 -19.5798 -19.5798 -19.5611 -19.5611 -19.4693 -19.4693 -13.7214 -13.7214 -11.5858 -11.5857 -10.8608 -10.8605 -10.7290 -10.7288 -7.6452 -7.6451 -7.1707 -7.1705 -6.2634 -6.2626 -5.9989 -5.9988 -5.9584 -5.9574 -5.7310 -5.7300 -5.3428 -5.3415 -4.6035 -4.6034 -3.9440 -3.9437 -3.0971 -3.0970 -2.8097 -2.8093 -2.5961 -2.5956 -2.0030 -2.0022 -1.2383 -1.2369 -1.1679 -1.1669 -0.8176 -0.8168 -0.6631 -0.6626 0.4404 0.4409 0.4788 0.4794 0.6726 0.6727 7.7850 7.7854 8.1166 8.1167 8.3134 8.3137 8.8837 8.8843 10.2485 10.2494 10.4623 10.4628 k = 0.1375 0.1415 0.6971 ( 5494 PWs) bands (ev): -19.7821 -19.7821 -19.5791 -19.5791 -19.5618 -19.5618 -19.4694 -19.4694 -13.7214 -13.7214 -11.5854 -11.5853 -10.8588 -10.8585 -10.7311 -10.7308 -7.6468 -7.6467 -7.1705 -7.1703 -6.2633 -6.2625 -5.9984 -5.9983 -5.9581 -5.9570 -5.7264 -5.7253 -5.3492 -5.3477 -4.6036 -4.6034 -3.9435 -3.9431 -3.0917 -3.0916 -2.8141 -2.8137 -2.5954 -2.5948 -2.0026 -2.0018 -1.2364 -1.2348 -1.1701 -1.1690 -0.8176 -0.8167 -0.6603 -0.6597 0.4350 0.4355 0.4834 0.4840 0.6691 0.6692 7.7973 7.7977 8.1125 8.1126 8.3065 8.3067 8.8699 8.8705 10.2415 10.2425 10.4938 10.4939 k = 0.1500 0.1544 0.6971 ( 5492 PWs) bands (ev): -19.7820 -19.7820 -19.5784 -19.5784 -19.5625 -19.5625 -19.4694 -19.4694 -13.7215 -13.7215 -11.5850 -11.5849 -10.8569 -10.8565 -10.7331 -10.7328 -7.6483 -7.6483 -7.1702 -7.1700 -6.2633 -6.2624 -5.9978 -5.9978 -5.9578 -5.9566 -5.7217 -5.7206 -5.3556 -5.3540 -4.6037 -4.6035 -3.9430 -3.9426 -3.0862 -3.0861 -2.8186 -2.8182 -2.5947 -2.5941 -2.0023 -2.0014 -1.2344 -1.2326 -1.1725 -1.1712 -0.8175 -0.8165 -0.6574 -0.6568 0.4297 0.4302 0.4880 0.4887 0.6654 0.6656 7.8096 7.8100 8.1086 8.1086 8.2997 8.3000 8.8560 8.8566 10.2361 10.2370 10.4868 10.4868 k = 0.1625 0.1673 0.6971 ( 5504 PWs) bands (ev): -19.7820 -19.7820 -19.5777 -19.5777 -19.5633 -19.5632 -19.4695 -19.4695 -13.7216 -13.7216 -11.5846 -11.5845 -10.8550 -10.8546 -10.7352 -10.7349 -7.6498 -7.6497 -7.1700 -7.1698 -6.2633 -6.2624 -5.9973 -5.9973 -5.9575 -5.9562 -5.7172 -5.7159 -5.3619 -5.3601 -4.6038 -4.6035 -3.9425 -3.9422 -3.0809 -3.0807 -2.8231 -2.8226 -2.5941 -2.5934 -2.0020 -2.0010 -1.2325 -1.2305 -1.1749 -1.1734 -0.8175 -0.8165 -0.6546 -0.6540 0.4246 0.4251 0.4926 0.4934 0.6618 0.6619 7.8215 7.8220 8.1049 8.1049 8.2934 8.2936 8.8425 8.8432 10.2320 10.2330 10.4793 10.4793 k = 0.1750 0.1801 0.6971 ( 5502 PWs) bands (ev): -19.7819 -19.7819 -19.5770 -19.5770 -19.5640 -19.5640 -19.4695 -19.4695 -13.7217 -13.7217 -11.5842 -11.5842 -10.8531 -10.8527 -10.7371 -10.7368 -7.6511 -7.6511 -7.1698 -7.1696 -6.2633 -6.2623 -5.9969 -5.9968 -5.9572 -5.9559 -5.7128 -5.7115 -5.3678 -5.3659 -4.6039 -4.6036 -3.9421 -3.9417 -3.0757 -3.0756 -2.8274 -2.8269 -2.5935 -2.5928 -2.0017 -2.0006 -1.2305 -1.2283 -1.1773 -1.1756 -0.8174 -0.8164 -0.6521 -0.6514 0.4198 0.4204 0.4971 0.4979 0.6582 0.6584 7.8328 7.8333 8.1015 8.1016 8.2876 8.2878 8.8298 8.8305 10.2293 10.2303 10.4717 10.4719 k = 0.1875 0.1930 0.6971 ( 5506 PWs) bands (ev): -19.7819 -19.7819 -19.5762 -19.5762 -19.5647 -19.5647 -19.4696 -19.4696 -13.7217 -13.7217 -11.5839 -11.5839 -10.8514 -10.8510 -10.7389 -10.7385 -7.6524 -7.6523 -7.1696 -7.1694 -6.2633 -6.2623 -5.9965 -5.9964 -5.9569 -5.9556 -5.7088 -5.7074 -5.3732 -5.3712 -4.6039 -4.6037 -3.9418 -3.9413 -3.0710 -3.0708 -2.8313 -2.8308 -2.5929 -2.5923 -2.0014 -2.0004 -1.2287 -1.2262 -1.1795 -1.1776 -0.8174 -0.8163 -0.6497 -0.6490 0.4156 0.4162 0.5013 0.5021 0.6548 0.6550 7.8430 7.8436 8.0986 8.0986 8.2824 8.2827 8.8181 8.8189 10.2276 10.2286 10.4645 10.4647 k = 0.2000 0.2059 0.6971 ( 5494 PWs) bands (ev): -19.7818 -19.7818 -19.5755 -19.5755 -19.5654 -19.5654 -19.4696 -19.4696 -13.7218 -13.7218 -11.5837 -11.5836 -10.8499 -10.8495 -10.7404 -10.7400 -7.6534 -7.6533 -7.1694 -7.1692 -6.2633 -6.2622 -5.9961 -5.9960 -5.9567 -5.9553 -5.7053 -5.7037 -5.3779 -5.3758 -4.6040 -4.6037 -3.9414 -3.9410 -3.0669 -3.0667 -2.8348 -2.8343 -2.5925 -2.5918 -2.0012 -2.0001 -1.2270 -1.2242 -1.1816 -1.1794 -0.8173 -0.8162 -0.6477 -0.6470 0.4120 0.4126 0.5050 0.5058 0.6518 0.6520 7.8520 7.8526 8.0960 8.0961 8.2780 8.2783 8.8080 8.8088 10.2267 10.2277 10.4580 10.4582 k = 0.2125 0.2187 0.6971 ( 5482 PWs) bands (ev): -19.7818 -19.7818 -19.5748 -19.5748 -19.5661 -19.5661 -19.4696 -19.4696 -13.7218 -13.7218 -11.5834 -11.5833 -10.8487 -10.8482 -10.7417 -10.7413 -7.6542 -7.6541 -7.1693 -7.1691 -6.2633 -6.2622 -5.9958 -5.9957 -5.9565 -5.9551 -5.7024 -5.7007 -5.3818 -5.3796 -4.6040 -4.6037 -3.9412 -3.9407 -3.0635 -3.0633 -2.8377 -2.8371 -2.5921 -2.5914 -2.0010 -1.9999 -1.2255 -1.2224 -1.1835 -1.1810 -0.8173 -0.8162 -0.6461 -0.6453 0.4090 0.4097 0.5081 0.5090 0.6492 0.6495 7.8593 7.8599 8.0940 8.0941 8.2745 8.2748 8.7998 8.8006 10.2264 10.2274 10.4525 10.4527 k = 0.2250 0.2316 0.6971 ( 5484 PWs) bands (ev): -19.7818 -19.7818 -19.5743 -19.5743 -19.5667 -19.5666 -19.4696 -19.4696 -13.7218 -13.7218 -11.5833 -11.5832 -10.8478 -10.8473 -10.7427 -10.7422 -7.6548 -7.6547 -7.1692 -7.1690 -6.2633 -6.2622 -5.9956 -5.9956 -5.9564 -5.9550 -5.7002 -5.6985 -5.3846 -5.3824 -4.6040 -4.6037 -3.9410 -3.9405 -3.0609 -3.0607 -2.8399 -2.8393 -2.5918 -2.5911 -2.0009 -1.9997 -1.2244 -1.2211 -1.1849 -1.1822 -0.8173 -0.8161 -0.6449 -0.6441 0.4069 0.4075 0.5105 0.5114 0.6473 0.6476 7.8647 7.8654 8.0926 8.0926 8.2720 8.2722 8.7936 8.7945 10.2264 10.2274 10.4483 10.4485 k = 0.2375 0.2445 0.6971 ( 5484 PWs) bands (ev): -19.7818 -19.7818 -19.5739 -19.5739 -19.5670 -19.5670 -19.4697 -19.4697 -13.7219 -13.7219 -11.5832 -11.5831 -10.8472 -10.8467 -10.7432 -10.7428 -7.6552 -7.6551 -7.1691 -7.1689 -6.2633 -6.2622 -5.9955 -5.9954 -5.9563 -5.9549 -5.6989 -5.6971 -5.3864 -5.3841 -4.6040 -4.6038 -3.9408 -3.9404 -3.0594 -3.0591 -2.8413 -2.8406 -2.5917 -2.5909 -2.0008 -1.9996 -1.2237 -1.2202 -1.1858 -1.1830 -0.8173 -0.8161 -0.6441 -0.6434 0.4055 0.4062 0.5119 0.5129 0.6460 0.6464 7.8681 7.8687 8.0917 8.0917 8.2704 8.2707 8.7899 8.7907 10.2265 10.2275 10.4456 10.4459 k = 0.2500 0.2573 0.6971 ( 5496 PWs) bands (ev): -19.7818 -19.7818 -19.5738 -19.5738 -19.5672 -19.5672 -19.4697 -19.4697 -13.7219 -13.7219 -11.5831 -11.5831 -10.8470 -10.8465 -10.7435 -10.7430 -7.6553 -7.6552 -7.1691 -7.1689 -6.2633 -6.2622 -5.9955 -5.9954 -5.9563 -5.9549 -5.6984 -5.6967 -5.3870 -5.3847 -4.6040 -4.6038 -3.9408 -3.9404 -3.0588 -3.0586 -2.8417 -2.8411 -2.5916 -2.5909 -2.0008 -1.9996 -1.2234 -1.2199 -1.1862 -1.1833 -0.8173 -0.8161 -0.6439 -0.6431 0.4051 0.4057 0.5124 0.5134 0.6456 0.6459 7.8692 7.8698 8.0914 8.0914 8.2699 8.2702 8.7886 8.7894 10.2266 10.2276 10.4447 10.4450 Writing output data file H12C5O4.save init_run : 0.62s CPU 0.42s WALL ( 1 calls) electrons : 431.60s CPU 320.27s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.20s CPU 0.15s WALL ( 1 calls) Called by electrons: c_bands : 431.59s CPU 320.25s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.17s CPU 0.31s WALL ( 290 calls) cegterg : 374.10s CPU 286.81s WALL ( 518 calls) Called by sum_band: Called by *egterg: h_psi : 268.24s CPU 172.19s WALL ( 7233 calls) s_psi : 8.11s CPU 5.83s WALL ( 7233 calls) g_psi : 0.46s CPU 0.38s WALL ( 6425 calls) cdiaghg : 106.71s CPU 99.85s WALL ( 6715 calls) cegterg:over : 15.08s CPU 12.91s WALL ( 6425 calls) cegterg:upda : 13.61s CPU 12.10s WALL ( 6425 calls) cegterg:last : 5.13s CPU 5.18s WALL ( 1244 calls) cdiaghg:chol : 5.96s CPU 5.85s WALL ( 6715 calls) cdiaghg:inve : 4.38s CPU 4.19s WALL ( 6715 calls) cdiaghg:para : 7.64s CPU 7.13s WALL ( 13430 calls) Called by h_psi: h_psi:vloc : 245.98s CPU 155.62s WALL ( 7233 calls) h_psi:vnl : 21.63s CPU 16.09s WALL ( 7233 calls) add_vuspsi : 9.56s CPU 7.07s WALL ( 7233 calls) General routines calbec : 12.01s CPU 8.99s WALL ( 7233 calls) fft : 0.08s CPU 0.04s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 232.39s CPU 145.06s WALL ( 1027424 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.38s CPU 1.00s WALL ( 580 calls) Parallel routines fft_scatter : 83.80s CPU 62.16s WALL ( 1027447 calls) PWSCF : 7m33.44s CPU 6m14.73s WALL This run was terminated on: 18:47:41 3Aug2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=