Program PWSCF v.5.4.0 starts on 15Mar2017 at 12:22:26 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 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./KAg2PS4.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 42 27 7 1323 696 104 Max 43 28 8 1326 730 110 Sum 3035 2011 569 95333 51289 7733 bravais-lattice index = 14 lattice parameter (alat) = 11.7674 a.u. unit-cell volume = 1217.9116 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 4 number of electrons = 60.00 number of Kohn-Sham states= 72 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 278.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.767446 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.430272 celldm(5)= -0.430272 celldm(6)= -0.139456 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.139456 0.990228 0.000000 ) a(3) = ( -0.430272 -0.495114 0.754803 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.140832 0.662424 ) b(2) = ( 0.000000 1.009868 0.662424 ) b(3) = ( 0.000000 0.000000 1.324848 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Ag 11.00 107.86820 Ag( 1.00) K 9.00 39.09830 K( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E s 2 inv. 180 deg rotation - cart. axis [0,0,1] -s -2 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 274 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0000000 0.0000000 0.0194831), wk = 0.0036496 k( 3) = ( 0.0000000 0.0000000 0.0389661), wk = 0.0036496 k( 4) = ( 0.0000000 0.0000000 0.0584492), wk = 0.0036496 k( 5) = ( 0.0000000 0.0000000 0.0779323), wk = 0.0036496 k( 6) = ( 0.0000000 0.0000000 0.0974153), wk = 0.0036496 k( 7) = ( 0.0000000 0.0000000 0.1168984), wk = 0.0036496 k( 8) = ( 0.0000000 0.0000000 0.1363815), wk = 0.0036496 k( 9) = ( 0.0000000 0.0000000 0.1558645), wk = 0.0036496 k( 10) = ( 0.0000000 0.0000000 0.1753476), wk = 0.0036496 k( 11) = ( 0.0000000 0.0000000 0.1948306), wk = 0.0036496 k( 12) = ( 0.0000000 0.0000000 0.2143137), wk = 0.0036496 k( 13) = ( 0.0000000 0.0000000 0.2337968), wk = 0.0036496 k( 14) = ( 0.0000000 0.0000000 0.2532798), wk = 0.0036496 k( 15) = ( 0.0000000 0.0000000 0.2727629), wk = 0.0036496 k( 16) = ( 0.0000000 0.0000000 0.2922460), wk = 0.0036496 k( 17) = ( 0.0000000 0.0000000 0.3117290), wk = 0.0036496 k( 18) = ( 0.0000000 0.0000000 0.3312121), wk = 0.0036496 k( 19) = ( 0.0000000 0.0000000 0.3506951), wk = 0.0036496 k( 20) = ( 0.0000000 0.0000000 0.3701782), wk = 0.0036496 k( 21) = ( 0.0000000 0.0000000 0.3896613), wk = 0.0036496 k( 22) = ( 0.0000000 0.0000000 0.4091443), wk = 0.0036496 k( 23) = ( 0.0000000 0.0000000 0.4286274), wk = 0.0036496 k( 24) = ( 0.0000000 0.0000000 0.4481105), wk = 0.0036496 k( 25) = ( 0.0000000 0.0000000 0.4675935), wk = 0.0036496 k( 26) = ( 0.0000000 0.0000000 0.4870766), wk = 0.0036496 k( 27) = ( 0.0000000 0.0000000 0.5065597), wk = 0.0036496 k( 28) = ( 0.0000000 0.0000000 0.5260427), wk = 0.0036496 k( 29) = ( 0.0000000 0.0000000 0.5455258), wk = 0.0036496 k( 30) = ( 0.0000000 0.0000000 0.5650089), wk = 0.0036496 k( 31) = ( 0.0000000 0.0000000 0.5844919), wk = 0.0036496 k( 32) = ( 0.0000000 0.0000000 0.6039750), wk = 0.0036496 k( 33) = ( 0.0000000 0.0000000 0.6234580), wk = 0.0036496 k( 34) = ( 0.0000000 0.0000000 0.6429411), wk = 0.0036496 k( 35) = ( 0.0000000 0.0000000 0.6624242), wk = 0.0036496 k( 36) = ( 0.0000000 0.0000000 0.6624242), wk = 0.0036496 k( 37) = ( -0.0143925 0.0125076 0.6624242), wk = 0.0036496 k( 38) = ( -0.0287850 0.0250152 0.6624242), wk = 0.0036496 k( 39) = ( -0.0431776 0.0375229 0.6624242), wk = 0.0036496 k( 40) = ( -0.0575701 0.0500305 0.6624242), wk = 0.0036496 k( 41) = ( -0.0719626 0.0625381 0.6624242), wk = 0.0036496 k( 42) = ( -0.0863551 0.0750457 0.6624242), wk = 0.0036496 k( 43) = ( -0.1007476 0.0875533 0.6624242), wk = 0.0036496 k( 44) = ( -0.1151402 0.1000609 0.6624242), wk = 0.0036496 k( 45) = ( -0.1295327 0.1125685 0.6624242), wk = 0.0036496 k( 46) = ( -0.1439252 0.1250762 0.6624242), wk = 0.0036496 k( 47) = ( -0.1583177 0.1375838 0.6624242), wk = 0.0036496 k( 48) = ( -0.1727103 0.1500914 0.6624242), wk = 0.0036496 k( 49) = ( -0.1871028 0.1625990 0.6624242), wk = 0.0036496 k( 50) = ( -0.2014953 0.1751066 0.6624242), wk = 0.0036496 k( 51) = ( -0.2158878 0.1876142 0.6624242), wk = 0.0036496 k( 52) = ( -0.2302803 0.2001219 0.6624242), wk = 0.0036496 k( 53) = ( -0.2446729 0.2126295 0.6624242), wk = 0.0036496 k( 54) = ( -0.2590654 0.2251371 0.6624242), wk = 0.0036496 k( 55) = ( -0.2734579 0.2376447 0.6624242), wk = 0.0036496 k( 56) = ( -0.2878504 0.2501523 0.6624242), wk = 0.0036496 k( 57) = ( -0.3022430 0.2626599 0.6624242), wk = 0.0036496 k( 58) = ( -0.3166355 0.2751676 0.6624242), wk = 0.0036496 k( 59) = ( -0.3310280 0.2876752 0.6624242), wk = 0.0036496 k( 60) = ( -0.3310280 0.2876752 0.6624242), wk = 0.0036496 k( 61) = ( -0.3415888 0.2968528 0.6484328), wk = 0.0036496 k( 62) = ( -0.3521495 0.3060305 0.6344414), wk = 0.0036496 k( 63) = ( -0.3627103 0.3152082 0.6204500), wk = 0.0036496 k( 64) = ( -0.3732710 0.3243858 0.6064586), wk = 0.0036496 k( 65) = ( -0.3838318 0.3335635 0.5924672), wk = 0.0036496 k( 66) = ( -0.3943925 0.3427412 0.5784758), wk = 0.0036496 k( 67) = ( -0.4049532 0.3519188 0.5644844), wk = 0.0036496 k( 68) = ( -0.4155140 0.3610965 0.5504930), wk = 0.0036496 k( 69) = ( -0.4155140 0.3610965 0.5504930), wk = 0.0036496 k( 70) = ( -0.4051262 0.3520691 0.5367307), wk = 0.0036496 k( 71) = ( -0.3947383 0.3430417 0.5229684), wk = 0.0036496 k( 72) = ( -0.3843505 0.3340143 0.5092061), wk = 0.0036496 k( 73) = ( -0.3739626 0.3249869 0.4954437), wk = 0.0036496 k( 74) = ( -0.3635748 0.3159594 0.4816814), wk = 0.0036496 k( 75) = ( -0.3531869 0.3069320 0.4679191), wk = 0.0036496 k( 76) = ( -0.3427990 0.2979046 0.4541568), wk = 0.0036496 k( 77) = ( -0.3324112 0.2888772 0.4403944), wk = 0.0036496 k( 78) = ( -0.3220233 0.2798498 0.4266321), wk = 0.0036496 k( 79) = ( -0.3116355 0.2708224 0.4128698), wk = 0.0036496 k( 80) = ( -0.3012476 0.2617950 0.3991074), wk = 0.0036496 k( 81) = ( -0.2908598 0.2527676 0.3853451), wk = 0.0036496 k( 82) = ( -0.2804720 0.2437401 0.3715828), wk = 0.0036496 k( 83) = ( -0.2700841 0.2347127 0.3578205), wk = 0.0036496 k( 84) = ( -0.2596963 0.2256853 0.3440581), wk = 0.0036496 k( 85) = ( -0.2493084 0.2166579 0.3302958), wk = 0.0036496 k( 86) = ( -0.2389206 0.2076305 0.3165335), wk = 0.0036496 k( 87) = ( -0.2285327 0.1986031 0.3027712), wk = 0.0036496 k( 88) = ( -0.2181449 0.1895757 0.2890088), wk = 0.0036496 k( 89) = ( -0.2077570 0.1805483 0.2752465), wk = 0.0036496 k( 90) = ( -0.1973691 0.1715208 0.2614842), wk = 0.0036496 k( 91) = ( -0.1869813 0.1624934 0.2477219), wk = 0.0036496 k( 92) = ( -0.1765935 0.1534660 0.2339595), wk = 0.0036496 k( 93) = ( -0.1662056 0.1444386 0.2201972), wk = 0.0036496 k( 94) = ( -0.1558178 0.1354112 0.2064349), wk = 0.0036496 k( 95) = ( -0.1454299 0.1263838 0.1926726), wk = 0.0036496 k( 96) = ( -0.1350420 0.1173564 0.1789102), wk = 0.0036496 k( 97) = ( -0.1246542 0.1083290 0.1651479), wk = 0.0036496 k( 98) = ( -0.1142664 0.0993015 0.1513856), wk = 0.0036496 k( 99) = ( -0.1038785 0.0902741 0.1376233), wk = 0.0036496 k( 100) = ( -0.0934906 0.0812467 0.1238609), wk = 0.0036496 k( 101) = ( -0.0831028 0.0722193 0.1100986), wk = 0.0036496 k( 102) = ( -0.0727150 0.0631919 0.0963363), wk = 0.0036496 k( 103) = ( -0.0623271 0.0541645 0.0825740), wk = 0.0036496 k( 104) = ( -0.0519392 0.0451371 0.0688116), wk = 0.0036496 k( 105) = ( -0.0415514 0.0361097 0.0550493), wk = 0.0036496 k( 106) = ( -0.0311636 0.0270822 0.0412870), wk = 0.0036496 k( 107) = ( -0.0207757 0.0180548 0.0275247), wk = 0.0036496 k( 108) = ( -0.0103879 0.0090274 0.0137623), wk = 0.0036496 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 111) = ( 0.0128205 0.0147526 0.0000000), wk = 0.0036496 k( 112) = ( 0.0256410 0.0295052 0.0000000), wk = 0.0036496 k( 113) = ( 0.0384615 0.0442577 0.0000000), wk = 0.0036496 k( 114) = ( 0.0512821 0.0590103 0.0000000), wk = 0.0036496 k( 115) = ( 0.0641026 0.0737629 0.0000000), wk = 0.0036496 k( 116) = ( 0.0769231 0.0885154 0.0000000), wk = 0.0036496 k( 117) = ( 0.0897436 0.1032680 0.0000000), wk = 0.0036496 k( 118) = ( 0.1025641 0.1180206 0.0000000), wk = 0.0036496 k( 119) = ( 0.1153846 0.1327732 0.0000000), wk = 0.0036496 k( 120) = ( 0.1282051 0.1475257 0.0000000), wk = 0.0036496 k( 121) = ( 0.1410256 0.1622783 0.0000000), wk = 0.0036496 k( 122) = ( 0.1538461 0.1770309 0.0000000), wk = 0.0036496 k( 123) = ( 0.1666667 0.1917834 0.0000000), wk = 0.0036496 k( 124) = ( 0.1794872 0.2065360 0.0000000), wk = 0.0036496 k( 125) = ( 0.1923077 0.2212886 0.0000000), wk = 0.0036496 k( 126) = ( 0.2051282 0.2360412 0.0000000), wk = 0.0036496 k( 127) = ( 0.2179487 0.2507937 0.0000000), wk = 0.0036496 k( 128) = ( 0.2307692 0.2655463 0.0000000), wk = 0.0036496 k( 129) = ( 0.2435897 0.2802989 0.0000000), wk = 0.0036496 k( 130) = ( 0.2564103 0.2950515 0.0000000), wk = 0.0036496 k( 131) = ( 0.2692308 0.3098040 0.0000000), wk = 0.0036496 k( 132) = ( 0.2820513 0.3245566 0.0000000), wk = 0.0036496 k( 133) = ( 0.2948718 0.3393092 0.0000000), wk = 0.0036496 k( 134) = ( 0.3076923 0.3540617 0.0000000), wk = 0.0036496 k( 135) = ( 0.3205128 0.3688143 0.0000000), wk = 0.0036496 k( 136) = ( 0.3333333 0.3835669 0.0000000), wk = 0.0036496 k( 137) = ( 0.3461538 0.3983195 0.0000000), wk = 0.0036496 k( 138) = ( 0.3589744 0.4130720 0.0000000), wk = 0.0036496 k( 139) = ( 0.3717949 0.4278246 0.0000000), wk = 0.0036496 k( 140) = ( 0.3846154 0.4425772 0.0000000), wk = 0.0036496 k( 141) = ( 0.3974359 0.4573298 0.0000000), wk = 0.0036496 k( 142) = ( 0.4102564 0.4720823 0.0000000), wk = 0.0036496 k( 143) = ( 0.4230769 0.4868349 0.0000000), wk = 0.0036496 k( 144) = ( 0.4358974 0.5015875 0.0000000), wk = 0.0036496 k( 145) = ( 0.4487179 0.5163400 0.0000000), wk = 0.0036496 k( 146) = ( 0.4615385 0.5310926 0.0000000), wk = 0.0036496 k( 147) = ( 0.4743590 0.5458452 0.0000000), wk = 0.0036496 k( 148) = ( 0.4871795 0.5605978 0.0000000), wk = 0.0036496 k( 149) = ( 0.5000000 0.5753503 0.0000000), wk = 0.0036496 k( 150) = ( 0.5000000 0.5753503 0.0000000), wk = 0.0036496 k( 151) = ( 0.4894392 0.5845280 0.0139914), wk = 0.0036496 k( 152) = ( 0.4788785 0.5937057 0.0279828), wk = 0.0036496 k( 153) = ( 0.4683177 0.6028833 0.0419742), wk = 0.0036496 k( 154) = ( 0.4577570 0.6120610 0.0559656), wk = 0.0036496 k( 155) = ( 0.4471963 0.6212387 0.0699570), wk = 0.0036496 k( 156) = ( 0.4366355 0.6304163 0.0839484), wk = 0.0036496 k( 157) = ( 0.4260748 0.6395940 0.0979397), wk = 0.0036496 k( 158) = ( 0.4155140 0.6487717 0.1119311), wk = 0.0036496 k( 159) = ( 0.4155140 0.6487717 0.1119311), wk = 0.0036496 k( 160) = ( 0.3988934 0.6430182 0.1207024), wk = 0.0036496 k( 161) = ( 0.3822729 0.6372647 0.1294736), wk = 0.0036496 k( 162) = ( 0.3656523 0.6315112 0.1382448), wk = 0.0036496 k( 163) = ( 0.3490318 0.6257577 0.1470161), wk = 0.0036496 k( 164) = ( 0.3324112 0.6200042 0.1557873), wk = 0.0036496 k( 165) = ( 0.3157906 0.6142507 0.1645586), wk = 0.0036496 k( 166) = ( 0.2991701 0.6084972 0.1733298), wk = 0.0036496 k( 167) = ( 0.2825495 0.6027437 0.1821010), wk = 0.0036496 k( 168) = ( 0.2659290 0.5969902 0.1908723), wk = 0.0036496 k( 169) = ( 0.2493084 0.5912367 0.1996435), wk = 0.0036496 k( 170) = ( 0.2326878 0.5854831 0.2084148), wk = 0.0036496 k( 171) = ( 0.2160673 0.5797296 0.2171860), wk = 0.0036496 k( 172) = ( 0.1994467 0.5739761 0.2259572), wk = 0.0036496 k( 173) = ( 0.1828262 0.5682226 0.2347285), wk = 0.0036496 k( 174) = ( 0.1662056 0.5624691 0.2434997), wk = 0.0036496 k( 175) = ( 0.1495850 0.5567156 0.2522709), wk = 0.0036496 k( 176) = ( 0.1329645 0.5509621 0.2610422), wk = 0.0036496 k( 177) = ( 0.1163439 0.5452086 0.2698134), wk = 0.0036496 k( 178) = ( 0.0997234 0.5394551 0.2785847), wk = 0.0036496 k( 179) = ( 0.0831028 0.5337016 0.2873559), wk = 0.0036496 k( 180) = ( 0.0664822 0.5279481 0.2961271), wk = 0.0036496 k( 181) = ( 0.0498617 0.5221946 0.3048984), wk = 0.0036496 k( 182) = ( 0.0332411 0.5164411 0.3136696), wk = 0.0036496 k( 183) = ( 0.0166206 0.5106876 0.3224408), wk = 0.0036496 k( 184) = ( 0.0000000 0.5049341 0.3312121), wk = 0.0036496 k( 185) = ( 0.0000000 0.5049341 0.3312121), wk = 0.0036496 k( 186) = ( 0.0104167 0.4958816 0.3450126), wk = 0.0036496 k( 187) = ( 0.0208333 0.4868292 0.3588131), wk = 0.0036496 k( 188) = ( 0.0312500 0.4777767 0.3726136), wk = 0.0036496 k( 189) = ( 0.0416667 0.4687243 0.3864141), wk = 0.0036496 k( 190) = ( 0.0520833 0.4596718 0.4002146), wk = 0.0036496 k( 191) = ( 0.0625000 0.4506194 0.4140151), wk = 0.0036496 k( 192) = ( 0.0729167 0.4415669 0.4278156), wk = 0.0036496 k( 193) = ( 0.0833333 0.4325145 0.4416161), wk = 0.0036496 k( 194) = ( 0.0937500 0.4234620 0.4554166), wk = 0.0036496 k( 195) = ( 0.1041667 0.4144095 0.4692171), wk = 0.0036496 k( 196) = ( 0.1145833 0.4053571 0.4830176), wk = 0.0036496 k( 197) = ( 0.1250000 0.3963046 0.4968181), wk = 0.0036496 k( 198) = ( 0.1354167 0.3872522 0.5106186), wk = 0.0036496 k( 199) = ( 0.1458333 0.3781997 0.5244191), wk = 0.0036496 k( 200) = ( 0.1562500 0.3691473 0.5382196), wk = 0.0036496 k( 201) = ( 0.1666667 0.3600948 0.5520201), wk = 0.0036496 k( 202) = ( 0.1770833 0.3510424 0.5658206), wk = 0.0036496 k( 203) = ( 0.1875000 0.3419899 0.5796211), wk = 0.0036496 k( 204) = ( 0.1979167 0.3329374 0.5934217), wk = 0.0036496 k( 205) = ( 0.2083333 0.3238850 0.6072221), wk = 0.0036496 k( 206) = ( 0.2187500 0.3148325 0.6210227), wk = 0.0036496 k( 207) = ( 0.2291667 0.3057801 0.6348232), wk = 0.0036496 k( 208) = ( 0.2395833 0.2967276 0.6486237), wk = 0.0036496 k( 209) = ( 0.2500000 0.2876752 0.6624242), wk = 0.0036496 k( 210) = ( 0.2500000 0.2876752 0.6624242), wk = 0.0036496 k( 211) = ( 0.2583333 0.2972643 0.6478054), wk = 0.0036496 k( 212) = ( 0.2666667 0.3068535 0.6331867), wk = 0.0036496 k( 213) = ( 0.2750000 0.3164427 0.6185680), wk = 0.0036496 k( 214) = ( 0.2833333 0.3260319 0.6039492), wk = 0.0036496 k( 215) = ( 0.2916667 0.3356210 0.5893305), wk = 0.0036496 k( 216) = ( 0.3000000 0.3452102 0.5747118), wk = 0.0036496 k( 217) = ( 0.3083333 0.3547994 0.5600931), wk = 0.0036496 k( 218) = ( 0.3166667 0.3643885 0.5454743), wk = 0.0036496 k( 219) = ( 0.3250000 0.3739777 0.5308556), wk = 0.0036496 k( 220) = ( 0.3333333 0.3835669 0.5162369), wk = 0.0036496 k( 221) = ( 0.3416667 0.3931561 0.5016181), wk = 0.0036496 k( 222) = ( 0.3500000 0.4027452 0.4869994), wk = 0.0036496 k( 223) = ( 0.3583333 0.4123344 0.4723807), wk = 0.0036496 k( 224) = ( 0.3666667 0.4219236 0.4577620), wk = 0.0036496 k( 225) = ( 0.3750000 0.4315128 0.4431432), wk = 0.0036496 k( 226) = ( 0.3833333 0.4411019 0.4285245), wk = 0.0036496 k( 227) = ( 0.3916667 0.4506911 0.4139058), wk = 0.0036496 k( 228) = ( 0.4000000 0.4602803 0.3992870), wk = 0.0036496 k( 229) = ( 0.4083333 0.4698694 0.3846683), wk = 0.0036496 k( 230) = ( 0.4166667 0.4794586 0.3700496), wk = 0.0036496 k( 231) = ( 0.4250000 0.4890478 0.3554308), wk = 0.0036496 k( 232) = ( 0.4333333 0.4986370 0.3408121), wk = 0.0036496 k( 233) = ( 0.4416667 0.5082261 0.3261934), wk = 0.0036496 k( 234) = ( 0.4500000 0.5178153 0.3115746), wk = 0.0036496 k( 235) = ( 0.4583333 0.5274045 0.2969559), wk = 0.0036496 k( 236) = ( 0.4666667 0.5369936 0.2823372), wk = 0.0036496 k( 237) = ( 0.4750000 0.5465828 0.2677184), wk = 0.0036496 k( 238) = ( 0.4833333 0.5561720 0.2530997), wk = 0.0036496 k( 239) = ( 0.4916667 0.5657612 0.2384810), wk = 0.0036496 k( 240) = ( 0.5000000 0.5753503 0.2238623), wk = 0.0036496 k( 241) = ( 0.5000000 0.5753503 0.2238623), wk = 0.0036496 k( 242) = ( 0.5000000 0.5753503 0.2052071), wk = 0.0036496 k( 243) = ( 0.5000000 0.5753503 0.1865519), wk = 0.0036496 k( 244) = ( 0.5000000 0.5753503 0.1678967), wk = 0.0036496 k( 245) = ( 0.5000000 0.5753503 0.1492415), wk = 0.0036496 k( 246) = ( 0.5000000 0.5753503 0.1305863), wk = 0.0036496 k( 247) = ( 0.5000000 0.5753503 0.1119311), wk = 0.0036496 k( 248) = ( 0.5000000 0.5753503 0.0932759), wk = 0.0036496 k( 249) = ( 0.5000000 0.5753503 0.0746208), wk = 0.0036496 k( 250) = ( 0.5000000 0.5753503 0.0559656), wk = 0.0036496 k( 251) = ( 0.5000000 0.5753503 0.0373104), wk = 0.0036496 k( 252) = ( 0.5000000 0.5753503 0.0186552), wk = 0.0036496 k( 253) = ( 0.5000000 0.5753503 0.0000000), wk = 0.0036496 k( 254) = ( 0.0000000 0.0000000 0.6624242), wk = 0.0036496 k( 255) = ( 0.0125000 0.0143838 0.6624242), wk = 0.0036496 k( 256) = ( 0.0250000 0.0287675 0.6624242), wk = 0.0036496 k( 257) = ( 0.0375000 0.0431513 0.6624242), wk = 0.0036496 k( 258) = ( 0.0500000 0.0575350 0.6624242), wk = 0.0036496 k( 259) = ( 0.0625000 0.0719188 0.6624242), wk = 0.0036496 k( 260) = ( 0.0750000 0.0863026 0.6624242), wk = 0.0036496 k( 261) = ( 0.0875000 0.1006863 0.6624242), wk = 0.0036496 k( 262) = ( 0.1000000 0.1150701 0.6624242), wk = 0.0036496 k( 263) = ( 0.1125000 0.1294538 0.6624242), wk = 0.0036496 k( 264) = ( 0.1250000 0.1438376 0.6624242), wk = 0.0036496 k( 265) = ( 0.1375000 0.1582213 0.6624242), wk = 0.0036496 k( 266) = ( 0.1500000 0.1726051 0.6624242), wk = 0.0036496 k( 267) = ( 0.1625000 0.1869889 0.6624242), wk = 0.0036496 k( 268) = ( 0.1750000 0.2013726 0.6624242), wk = 0.0036496 k( 269) = ( 0.1875000 0.2157564 0.6624242), wk = 0.0036496 k( 270) = ( 0.2000000 0.2301401 0.6624242), wk = 0.0036496 k( 271) = ( 0.2125000 0.2445239 0.6624242), wk = 0.0036496 k( 272) = ( 0.2250000 0.2589077 0.6624242), wk = 0.0036496 k( 273) = ( 0.2375000 0.2732914 0.6624242), wk = 0.0036496 k( 274) = ( 0.2500000 0.2876752 0.6624242), wk = 0.0036496 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0036496 k( 3) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0036496 k( 4) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0036496 k( 5) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0036496 k( 6) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0036496 k( 7) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0036496 k( 8) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0036496 k( 9) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0036496 k( 10) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0036496 k( 11) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0036496 k( 12) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0036496 k( 13) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0036496 k( 14) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0036496 k( 15) = ( 0.0000000 0.0000000 0.2058824), wk = 0.0036496 k( 16) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0036496 k( 17) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0036496 k( 18) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036496 k( 19) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0036496 k( 20) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0036496 k( 21) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0036496 k( 22) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0036496 k( 23) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0036496 k( 24) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0036496 k( 25) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0036496 k( 26) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0036496 k( 27) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0036496 k( 28) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0036496 k( 29) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0036496 k( 30) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0036496 k( 31) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0036496 k( 32) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0036496 k( 33) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0036496 k( 34) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0036496 k( 35) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 36) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 37) = ( -0.0143925 0.0143925 0.5000000), wk = 0.0036496 k( 38) = ( -0.0287850 0.0287850 0.5000000), wk = 0.0036496 k( 39) = ( -0.0431776 0.0431776 0.5000000), wk = 0.0036496 k( 40) = ( -0.0575701 0.0575701 0.5000000), wk = 0.0036496 k( 41) = ( -0.0719626 0.0719626 0.5000000), wk = 0.0036496 k( 42) = ( -0.0863551 0.0863551 0.5000000), wk = 0.0036496 k( 43) = ( -0.1007476 0.1007476 0.5000000), wk = 0.0036496 k( 44) = ( -0.1151402 0.1151402 0.5000000), wk = 0.0036496 k( 45) = ( -0.1295327 0.1295327 0.5000000), wk = 0.0036496 k( 46) = ( -0.1439252 0.1439252 0.5000000), wk = 0.0036496 k( 47) = ( -0.1583177 0.1583177 0.5000000), wk = 0.0036496 k( 48) = ( -0.1727103 0.1727103 0.5000000), wk = 0.0036496 k( 49) = ( -0.1871028 0.1871028 0.5000000), wk = 0.0036496 k( 50) = ( -0.2014953 0.2014953 0.5000000), wk = 0.0036496 k( 51) = ( -0.2158878 0.2158878 0.5000000), wk = 0.0036496 k( 52) = ( -0.2302803 0.2302803 0.5000000), wk = 0.0036496 k( 53) = ( -0.2446729 0.2446729 0.5000000), wk = 0.0036496 k( 54) = ( -0.2590654 0.2590654 0.5000000), wk = 0.0036496 k( 55) = ( -0.2734579 0.2734579 0.5000000), wk = 0.0036496 k( 56) = ( -0.2878504 0.2878504 0.5000000), wk = 0.0036496 k( 57) = ( -0.3022430 0.3022430 0.5000000), wk = 0.0036496 k( 58) = ( -0.3166355 0.3166355 0.5000000), wk = 0.0036496 k( 59) = ( -0.3310280 0.3310280 0.5000000), wk = 0.0036496 k( 60) = ( -0.3310280 0.3310280 0.5000000), wk = 0.0036496 k( 61) = ( -0.3415888 0.3415888 0.4894393), wk = 0.0036496 k( 62) = ( -0.3521495 0.3521495 0.4788785), wk = 0.0036496 k( 63) = ( -0.3627103 0.3627103 0.4683177), wk = 0.0036496 k( 64) = ( -0.3732710 0.3732710 0.4577570), wk = 0.0036496 k( 65) = ( -0.3838318 0.3838318 0.4471963), wk = 0.0036496 k( 66) = ( -0.3943925 0.3943925 0.4366355), wk = 0.0036496 k( 67) = ( -0.4049532 0.4049532 0.4260748), wk = 0.0036496 k( 68) = ( -0.4155140 0.4155140 0.4155140), wk = 0.0036496 k( 69) = ( -0.4155140 0.4155140 0.4155140), wk = 0.0036496 k( 70) = ( -0.4051262 0.4051262 0.4051262), wk = 0.0036496 k( 71) = ( -0.3947383 0.3947383 0.3947383), wk = 0.0036496 k( 72) = ( -0.3843505 0.3843505 0.3843505), wk = 0.0036496 k( 73) = ( -0.3739626 0.3739626 0.3739626), wk = 0.0036496 k( 74) = ( -0.3635748 0.3635748 0.3635748), wk = 0.0036496 k( 75) = ( -0.3531869 0.3531869 0.3531869), wk = 0.0036496 k( 76) = ( -0.3427990 0.3427990 0.3427991), wk = 0.0036496 k( 77) = ( -0.3324112 0.3324112 0.3324112), wk = 0.0036496 k( 78) = ( -0.3220233 0.3220234 0.3220234), wk = 0.0036496 k( 79) = ( -0.3116355 0.3116355 0.3116355), wk = 0.0036496 k( 80) = ( -0.3012476 0.3012476 0.3012476), wk = 0.0036496 k( 81) = ( -0.2908598 0.2908598 0.2908598), wk = 0.0036496 k( 82) = ( -0.2804720 0.2804720 0.2804720), wk = 0.0036496 k( 83) = ( -0.2700841 0.2700841 0.2700841), wk = 0.0036496 k( 84) = ( -0.2596963 0.2596963 0.2596963), wk = 0.0036496 k( 85) = ( -0.2493084 0.2493084 0.2493084), wk = 0.0036496 k( 86) = ( -0.2389206 0.2389206 0.2389206), wk = 0.0036496 k( 87) = ( -0.2285327 0.2285327 0.2285327), wk = 0.0036496 k( 88) = ( -0.2181449 0.2181449 0.2181449), wk = 0.0036496 k( 89) = ( -0.2077570 0.2077570 0.2077570), wk = 0.0036496 k( 90) = ( -0.1973691 0.1973691 0.1973692), wk = 0.0036496 k( 91) = ( -0.1869813 0.1869813 0.1869813), wk = 0.0036496 k( 92) = ( -0.1765935 0.1765934 0.1765935), wk = 0.0036496 k( 93) = ( -0.1662056 0.1662056 0.1662056), wk = 0.0036496 k( 94) = ( -0.1558178 0.1558177 0.1558178), wk = 0.0036496 k( 95) = ( -0.1454299 0.1454299 0.1454299), wk = 0.0036496 k( 96) = ( -0.1350420 0.1350420 0.1350420), wk = 0.0036496 k( 97) = ( -0.1246542 0.1246542 0.1246542), wk = 0.0036496 k( 98) = ( -0.1142664 0.1142664 0.1142664), wk = 0.0036496 k( 99) = ( -0.1038785 0.1038785 0.1038785), wk = 0.0036496 k( 100) = ( -0.0934906 0.0934906 0.0934907), wk = 0.0036496 k( 101) = ( -0.0831028 0.0831028 0.0831028), wk = 0.0036496 k( 102) = ( -0.0727150 0.0727149 0.0727150), wk = 0.0036496 k( 103) = ( -0.0623271 0.0623271 0.0623271), wk = 0.0036496 k( 104) = ( -0.0519392 0.0519392 0.0519393), wk = 0.0036496 k( 105) = ( -0.0415514 0.0415514 0.0415514), wk = 0.0036496 k( 106) = ( -0.0311636 0.0311636 0.0311636), wk = 0.0036496 k( 107) = ( -0.0207757 0.0207757 0.0207757), wk = 0.0036496 k( 108) = ( -0.0103879 0.0103878 0.0103879), wk = 0.0036496 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 111) = ( 0.0128205 0.0128205 -0.0128205), wk = 0.0036496 k( 112) = ( 0.0256410 0.0256410 -0.0256410), wk = 0.0036496 k( 113) = ( 0.0384615 0.0384615 -0.0384615), wk = 0.0036496 k( 114) = ( 0.0512821 0.0512821 -0.0512821), wk = 0.0036496 k( 115) = ( 0.0641026 0.0641026 -0.0641026), wk = 0.0036496 k( 116) = ( 0.0769231 0.0769231 -0.0769231), wk = 0.0036496 k( 117) = ( 0.0897436 0.0897436 -0.0897436), wk = 0.0036496 k( 118) = ( 0.1025641 0.1025641 -0.1025641), wk = 0.0036496 k( 119) = ( 0.1153846 0.1153846 -0.1153846), wk = 0.0036496 k( 120) = ( 0.1282051 0.1282051 -0.1282051), wk = 0.0036496 k( 121) = ( 0.1410256 0.1410256 -0.1410256), wk = 0.0036496 k( 122) = ( 0.1538461 0.1538461 -0.1538461), wk = 0.0036496 k( 123) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0036496 k( 124) = ( 0.1794872 0.1794872 -0.1794872), wk = 0.0036496 k( 125) = ( 0.1923077 0.1923077 -0.1923077), wk = 0.0036496 k( 126) = ( 0.2051282 0.2051282 -0.2051282), wk = 0.0036496 k( 127) = ( 0.2179487 0.2179487 -0.2179487), wk = 0.0036496 k( 128) = ( 0.2307692 0.2307692 -0.2307692), wk = 0.0036496 k( 129) = ( 0.2435897 0.2435897 -0.2435897), wk = 0.0036496 k( 130) = ( 0.2564103 0.2564103 -0.2564103), wk = 0.0036496 k( 131) = ( 0.2692308 0.2692308 -0.2692308), wk = 0.0036496 k( 132) = ( 0.2820513 0.2820513 -0.2820513), wk = 0.0036496 k( 133) = ( 0.2948718 0.2948718 -0.2948718), wk = 0.0036496 k( 134) = ( 0.3076923 0.3076923 -0.3076923), wk = 0.0036496 k( 135) = ( 0.3205128 0.3205128 -0.3205128), wk = 0.0036496 k( 136) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0036496 k( 137) = ( 0.3461538 0.3461538 -0.3461538), wk = 0.0036496 k( 138) = ( 0.3589744 0.3589744 -0.3589744), wk = 0.0036496 k( 139) = ( 0.3717949 0.3717949 -0.3717949), wk = 0.0036496 k( 140) = ( 0.3846154 0.3846154 -0.3846154), wk = 0.0036496 k( 141) = ( 0.3974359 0.3974359 -0.3974359), wk = 0.0036496 k( 142) = ( 0.4102564 0.4102564 -0.4102564), wk = 0.0036496 k( 143) = ( 0.4230769 0.4230769 -0.4230769), wk = 0.0036496 k( 144) = ( 0.4358974 0.4358974 -0.4358974), wk = 0.0036496 k( 145) = ( 0.4487179 0.4487179 -0.4487180), wk = 0.0036496 k( 146) = ( 0.4615385 0.4615385 -0.4615385), wk = 0.0036496 k( 147) = ( 0.4743590 0.4743590 -0.4743590), wk = 0.0036496 k( 148) = ( 0.4871795 0.4871795 -0.4871795), wk = 0.0036496 k( 149) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036496 k( 150) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036496 k( 151) = ( 0.4894392 0.5105608 -0.4894392), wk = 0.0036496 k( 152) = ( 0.4788785 0.5211215 -0.4788785), wk = 0.0036496 k( 153) = ( 0.4683177 0.5316823 -0.4683177), wk = 0.0036496 k( 154) = ( 0.4577570 0.5422430 -0.4577570), wk = 0.0036496 k( 155) = ( 0.4471963 0.5528038 -0.4471963), wk = 0.0036496 k( 156) = ( 0.4366355 0.5633645 -0.4366355), wk = 0.0036496 k( 157) = ( 0.4260748 0.5739252 -0.4260747), wk = 0.0036496 k( 158) = ( 0.4155140 0.5844860 -0.4155140), wk = 0.0036496 k( 159) = ( 0.4155140 0.5844860 -0.4155140), wk = 0.0036496 k( 160) = ( 0.3988934 0.5811066 -0.3988934), wk = 0.0036496 k( 161) = ( 0.3822729 0.5777271 -0.3822729), wk = 0.0036496 k( 162) = ( 0.3656523 0.5743477 -0.3656523), wk = 0.0036496 k( 163) = ( 0.3490318 0.5709682 -0.3490318), wk = 0.0036496 k( 164) = ( 0.3324112 0.5675888 -0.3324112), wk = 0.0036496 k( 165) = ( 0.3157906 0.5642094 -0.3157906), wk = 0.0036496 k( 166) = ( 0.2991701 0.5608299 -0.2991701), wk = 0.0036496 k( 167) = ( 0.2825495 0.5574505 -0.2825495), wk = 0.0036496 k( 168) = ( 0.2659290 0.5540710 -0.2659290), wk = 0.0036496 k( 169) = ( 0.2493084 0.5506916 -0.2493084), wk = 0.0036496 k( 170) = ( 0.2326878 0.5473122 -0.2326878), wk = 0.0036496 k( 171) = ( 0.2160673 0.5439327 -0.2160673), wk = 0.0036496 k( 172) = ( 0.1994467 0.5405533 -0.1994467), wk = 0.0036496 k( 173) = ( 0.1828262 0.5371738 -0.1828262), wk = 0.0036496 k( 174) = ( 0.1662056 0.5337944 -0.1662056), wk = 0.0036496 k( 175) = ( 0.1495850 0.5304150 -0.1495850), wk = 0.0036496 k( 176) = ( 0.1329645 0.5270355 -0.1329645), wk = 0.0036496 k( 177) = ( 0.1163439 0.5236561 -0.1163439), wk = 0.0036496 k( 178) = ( 0.0997234 0.5202766 -0.0997234), wk = 0.0036496 k( 179) = ( 0.0831028 0.5168972 -0.0831028), wk = 0.0036496 k( 180) = ( 0.0664822 0.5135178 -0.0664822), wk = 0.0036496 k( 181) = ( 0.0498617 0.5101383 -0.0498617), wk = 0.0036496 k( 182) = ( 0.0332411 0.5067589 -0.0332411), wk = 0.0036496 k( 183) = ( 0.0166206 0.5033794 -0.0166206), wk = 0.0036496 k( 184) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036496 k( 185) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036496 k( 186) = ( 0.0104167 0.4895833 0.0104167), wk = 0.0036496 k( 187) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0036496 k( 188) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0036496 k( 189) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0036496 k( 190) = ( 0.0520833 0.4479167 0.0520833), wk = 0.0036496 k( 191) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036496 k( 192) = ( 0.0729167 0.4270833 0.0729167), wk = 0.0036496 k( 193) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0036496 k( 194) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0036496 k( 195) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0036496 k( 196) = ( 0.1145833 0.3854167 0.1145833), wk = 0.0036496 k( 197) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036496 k( 198) = ( 0.1354167 0.3645833 0.1354167), wk = 0.0036496 k( 199) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0036496 k( 200) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0036496 k( 201) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0036496 k( 202) = ( 0.1770833 0.3229167 0.1770833), wk = 0.0036496 k( 203) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036496 k( 204) = ( 0.1979167 0.3020833 0.1979167), wk = 0.0036496 k( 205) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0036496 k( 206) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0036496 k( 207) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0036496 k( 208) = ( 0.2395833 0.2604167 0.2395833), wk = 0.0036496 k( 209) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036496 k( 210) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036496 k( 211) = ( 0.2583333 0.2583333 0.2306324), wk = 0.0036496 k( 212) = ( 0.2666667 0.2666667 0.2112648), wk = 0.0036496 k( 213) = ( 0.2750000 0.2750000 0.1918972), wk = 0.0036496 k( 214) = ( 0.2833333 0.2833333 0.1725296), wk = 0.0036496 k( 215) = ( 0.2916667 0.2916667 0.1531620), wk = 0.0036496 k( 216) = ( 0.3000000 0.3000000 0.1337944), wk = 0.0036496 k( 217) = ( 0.3083333 0.3083333 0.1144268), wk = 0.0036496 k( 218) = ( 0.3166667 0.3166667 0.0950592), wk = 0.0036496 k( 219) = ( 0.3250000 0.3250000 0.0756916), wk = 0.0036496 k( 220) = ( 0.3333333 0.3333333 0.0563240), wk = 0.0036496 k( 221) = ( 0.3416667 0.3416667 0.0369564), wk = 0.0036496 k( 222) = ( 0.3500000 0.3500000 0.0175888), wk = 0.0036496 k( 223) = ( 0.3583333 0.3583333 -0.0017788), wk = 0.0036496 k( 224) = ( 0.3666667 0.3666667 -0.0211464), wk = 0.0036496 k( 225) = ( 0.3750000 0.3750000 -0.0405140), wk = 0.0036496 k( 226) = ( 0.3833333 0.3833333 -0.0598816), wk = 0.0036496 k( 227) = ( 0.3916667 0.3916667 -0.0792492), wk = 0.0036496 k( 228) = ( 0.4000000 0.4000000 -0.0986168), wk = 0.0036496 k( 229) = ( 0.4083333 0.4083333 -0.1179844), wk = 0.0036496 k( 230) = ( 0.4166667 0.4166667 -0.1373520), wk = 0.0036496 k( 231) = ( 0.4250000 0.4250000 -0.1567196), wk = 0.0036496 k( 232) = ( 0.4333333 0.4333333 -0.1760872), wk = 0.0036496 k( 233) = ( 0.4416667 0.4416667 -0.1954548), wk = 0.0036496 k( 234) = ( 0.4500000 0.4500000 -0.2148224), wk = 0.0036496 k( 235) = ( 0.4583333 0.4583333 -0.2341900), wk = 0.0036496 k( 236) = ( 0.4666667 0.4666667 -0.2535576), wk = 0.0036496 k( 237) = ( 0.4750000 0.4750000 -0.2729252), wk = 0.0036496 k( 238) = ( 0.4833333 0.4833333 -0.2922928), wk = 0.0036496 k( 239) = ( 0.4916667 0.4916667 -0.3116604), wk = 0.0036496 k( 240) = ( 0.5000000 0.5000000 -0.3310280), wk = 0.0036496 k( 241) = ( 0.5000000 0.5000000 -0.3310280), wk = 0.0036496 k( 242) = ( 0.5000000 0.5000000 -0.3451090), wk = 0.0036496 k( 243) = ( 0.5000000 0.5000000 -0.3591900), wk = 0.0036496 k( 244) = ( 0.5000000 0.5000000 -0.3732710), wk = 0.0036496 k( 245) = ( 0.5000000 0.5000000 -0.3873520), wk = 0.0036496 k( 246) = ( 0.5000000 0.5000000 -0.4014330), wk = 0.0036496 k( 247) = ( 0.5000000 0.5000000 -0.4155140), wk = 0.0036496 k( 248) = ( 0.5000000 0.5000000 -0.4295950), wk = 0.0036496 k( 249) = ( 0.5000000 0.5000000 -0.4436760), wk = 0.0036496 k( 250) = ( 0.5000000 0.5000000 -0.4577570), wk = 0.0036496 k( 251) = ( 0.5000000 0.5000000 -0.4718380), wk = 0.0036496 k( 252) = ( 0.5000000 0.5000000 -0.4859190), wk = 0.0036496 k( 253) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036496 k( 254) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 255) = ( 0.0125000 0.0125000 0.4875000), wk = 0.0036496 k( 256) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0036496 k( 257) = ( 0.0375000 0.0375000 0.4625000), wk = 0.0036496 k( 258) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036496 k( 259) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0036496 k( 260) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0036496 k( 261) = ( 0.0875000 0.0875000 0.4125000), wk = 0.0036496 k( 262) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036496 k( 263) = ( 0.1125000 0.1125000 0.3875000), wk = 0.0036496 k( 264) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0036496 k( 265) = ( 0.1375000 0.1375000 0.3625000), wk = 0.0036496 k( 266) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036496 k( 267) = ( 0.1625000 0.1625000 0.3375000), wk = 0.0036496 k( 268) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0036496 k( 269) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0036496 k( 270) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036496 k( 271) = ( 0.2125000 0.2125000 0.2875000), wk = 0.0036496 k( 272) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0036496 k( 273) = ( 0.2375000 0.2375000 0.2625000), wk = 0.0036496 k( 274) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036496 Dense grid: 95333 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 51289 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 182, 72) NL pseudopotentials 0.38 Mb ( 91, 272) Each V/rho on FFT grid 0.06 Mb ( 4096) Each G-vector array 0.01 Mb ( 1324) G-vector shells 0.00 Mb ( 633) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.80 Mb ( 182, 288) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.60 Mb ( 272, 2, 72) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./KAg2PS4.save/charge-density.dat Starting wfc are 92 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.2 secs Computing kpt #: 2 total cpu time spent up to now is 6.4 secs Computing kpt #: 3 total cpu time spent up to now is 7.6 secs Computing kpt #: 4 total cpu time spent up to now is 8.9 secs Computing kpt #: 5 total cpu time spent up to now is 10.1 secs Computing kpt #: 6 total cpu time spent up to now is 11.4 secs Computing kpt #: 7 total cpu time spent up to now is 12.6 secs Computing kpt #: 8 total cpu time spent up to now is 13.9 secs Computing kpt #: 9 total cpu time spent up to now is 15.2 secs Computing kpt #: 10 total cpu time spent up to now is 16.4 secs Computing kpt #: 11 total cpu time spent up to now is 17.6 secs Computing kpt #: 12 total cpu time spent up to now is 18.9 secs Computing kpt #: 13 total cpu time spent up to now is 20.1 secs Computing kpt #: 14 total cpu time spent up to now is 21.3 secs Computing kpt #: 15 total cpu time spent up to now is 22.5 secs Computing kpt #: 16 total cpu time spent up to now is 23.7 secs Computing kpt #: 17 total cpu time spent up to now is 24.8 secs Computing kpt #: 18 total cpu time spent up to now is 26.0 secs Computing kpt #: 19 total cpu time spent up to now is 27.1 secs Computing kpt #: 20 total cpu time spent up to now is 28.3 secs Computing kpt #: 21 total cpu time spent up to now is 29.5 secs Computing kpt #: 22 total cpu time spent up to now is 30.7 secs Computing kpt #: 23 total cpu time spent up to now is 31.9 secs Computing kpt #: 24 total cpu time spent up to now is 33.1 secs Computing kpt #: 25 total cpu time spent up to now is 34.3 secs Computing kpt #: 26 total cpu time spent up to now is 35.5 secs Computing kpt #: 27 total cpu time spent up to now is 36.7 secs Computing kpt #: 28 total cpu time spent up to now is 39.0 secs Computing kpt #: 29 total cpu time spent up to now is 40.2 secs Computing kpt #: 30 total cpu time spent up to now is 41.5 secs Computing kpt #: 31 total cpu time spent up to now is 42.9 secs Computing kpt #: 32 total cpu time spent up to now is 44.2 secs Computing kpt #: 33 total cpu time spent up to now is 45.6 secs Computing kpt #: 34 total cpu time spent up to now is 47.1 secs Computing kpt #: 35 total cpu time spent up to now is 48.6 secs Computing kpt #: 36 total cpu time spent up to now is 50.1 secs Computing kpt #: 37 total cpu time spent up to now is 51.5 secs Computing kpt #: 38 total cpu time spent up to now is 53.0 secs Computing kpt #: 39 total cpu time spent up to now is 54.4 secs Computing kpt #: 40 total cpu time spent up to now is 55.9 secs Computing kpt #: 41 total cpu time spent up to now is 57.3 secs Computing kpt #: 42 total cpu time spent up to now is 58.6 secs Computing kpt #: 43 total cpu time spent up to now is 59.9 secs Computing kpt #: 44 total cpu time spent up to now is 61.2 secs Computing kpt #: 45 total cpu time spent up to now is 62.4 secs Computing kpt #: 46 total cpu time spent up to now is 63.7 secs Computing kpt #: 47 total cpu time spent up to now is 64.9 secs Computing kpt #: 48 total cpu time spent up to now is 66.1 secs Computing kpt #: 49 total cpu time spent up to now is 67.3 secs Computing kpt #: 50 total cpu time spent up to now is 68.5 secs Computing kpt #: 51 total cpu time spent up to now is 69.7 secs Computing kpt #: 52 total cpu time spent up to now is 70.9 secs Computing kpt #: 53 total cpu time spent up to now is 72.1 secs Computing kpt #: 54 total cpu time spent up to now is 73.3 secs Computing kpt #: 55 total cpu time spent up to now is 74.5 secs Computing kpt #: 56 total cpu time spent up to now is 75.7 secs Computing kpt #: 57 total cpu time spent up to now is 76.9 secs Computing kpt #: 58 total cpu time spent up to now is 78.1 secs Computing kpt #: 59 total cpu time spent up to now is 79.3 secs Computing kpt #: 60 total cpu time spent up to now is 80.6 secs Computing kpt #: 61 total cpu time spent up to now is 81.9 secs Computing kpt #: 62 total cpu time spent up to now is 83.2 secs Computing kpt #: 63 total cpu time spent up to now is 84.4 secs Computing kpt #: 64 total cpu time spent up to now is 85.7 secs Computing kpt #: 65 total cpu time spent up to now is 87.0 secs Computing kpt #: 66 total cpu time spent up to now is 88.3 secs Computing kpt #: 67 total cpu time spent up to now is 89.6 secs Computing kpt #: 68 total cpu time spent up to now is 90.8 secs Computing kpt #: 69 total cpu time spent up to now is 92.1 secs Computing kpt #: 70 total cpu time spent up to now is 93.3 secs Computing kpt #: 71 total cpu time spent up to now is 94.6 secs Computing kpt #: 72 total cpu time spent up to now is 95.8 secs Computing kpt #: 73 total cpu time spent up to now is 97.0 secs Computing kpt #: 74 total cpu time spent up to now is 98.2 secs Computing kpt #: 75 total cpu time spent up to now is 99.4 secs Computing kpt #: 76 total cpu time spent up to now is 100.5 secs Computing kpt #: 77 total cpu time spent up to now is 101.7 secs Computing kpt #: 78 total cpu time spent up to now is 102.9 secs Computing kpt #: 79 total cpu time spent up to now is 104.2 secs Computing kpt #: 80 total cpu time spent up to now is 105.4 secs Computing kpt #: 81 total cpu time spent up to now is 106.6 secs Computing kpt #: 82 total cpu time spent up to now is 107.8 secs Computing kpt #: 83 total cpu time spent up to now is 109.1 secs Computing kpt #: 84 total cpu time spent up to now is 110.3 secs Computing kpt #: 85 total cpu time spent up to now is 111.6 secs Computing kpt #: 86 total cpu time spent up to now is 112.8 secs Computing kpt #: 87 total cpu time spent up to now is 114.1 secs Computing kpt #: 88 total cpu time spent up to now is 115.4 secs Computing kpt #: 89 total cpu time spent up to now is 116.6 secs Computing kpt #: 90 total cpu time spent up to now is 117.9 secs Computing kpt #: 91 total cpu time spent up to now is 119.2 secs Computing kpt #: 92 total cpu time spent up to now is 120.4 secs Computing kpt #: 93 total cpu time spent up to now is 121.7 secs Computing kpt #: 94 total cpu time spent up to now is 123.0 secs Computing kpt #: 95 total cpu time spent up to now is 124.2 secs Computing kpt #: 96 total cpu time spent up to now is 125.4 secs Computing kpt #: 97 total cpu time spent up to now is 126.6 secs Computing kpt #: 98 total cpu time spent up to now is 127.8 secs Computing kpt #: 99 total cpu time spent up to now is 129.1 secs Computing kpt #: 100 total cpu time spent up to now is 130.3 secs Computing kpt #: 101 total cpu time spent up to now is 131.5 secs Computing kpt #: 102 total cpu time spent up to now is 132.7 secs Computing kpt #: 103 total cpu time spent up to now is 133.9 secs Computing kpt #: 104 total cpu time spent up to now is 135.1 secs Computing kpt #: 105 total cpu time spent up to now is 136.3 secs Computing kpt #: 106 total cpu time spent up to now is 137.5 secs Computing kpt #: 107 total cpu time spent up to now is 138.7 secs Computing kpt #: 108 total cpu time spent up to now is 139.9 secs Computing kpt #: 109 total cpu time spent up to now is 141.0 secs Computing kpt #: 110 total cpu time spent up to now is 142.3 secs Computing kpt #: 111 total cpu time spent up to now is 143.5 secs Computing kpt #: 112 total cpu time spent up to now is 144.7 secs Computing kpt #: 113 total cpu time spent up to now is 146.0 secs Computing kpt #: 114 total cpu time spent up to now is 147.2 secs Computing kpt #: 115 total cpu time spent up to now is 148.5 secs Computing kpt #: 116 total cpu time spent up to now is 149.8 secs Computing kpt #: 117 total cpu time spent up to now is 151.0 secs Computing kpt #: 118 total cpu time spent up to now is 152.2 secs Computing kpt #: 119 total cpu time spent up to now is 153.5 secs Computing kpt #: 120 total cpu time spent up to now is 154.7 secs Computing kpt #: 121 total cpu time spent up to now is 156.0 secs Computing kpt #: 122 total cpu time spent up to now is 157.2 secs Computing kpt #: 123 total cpu time spent up to now is 158.4 secs Computing kpt #: 124 total cpu time spent up to now is 159.7 secs Computing kpt #: 125 total cpu time spent up to now is 160.9 secs Computing kpt #: 126 total cpu time spent up to now is 162.1 secs Computing kpt #: 127 total cpu time spent up to now is 163.3 secs Computing kpt #: 128 total cpu time spent up to now is 164.5 secs Computing kpt #: 129 total cpu time spent up to now is 165.8 secs Computing kpt #: 130 total cpu time spent up to now is 166.9 secs Computing kpt #: 131 total cpu time spent up to now is 168.1 secs Computing kpt #: 132 total cpu time spent up to now is 169.3 secs Computing kpt #: 133 total cpu time spent up to now is 170.5 secs Computing kpt #: 134 total cpu time spent up to now is 171.7 secs Computing kpt #: 135 total cpu time spent up to now is 172.9 secs Computing kpt #: 136 total cpu time spent up to now is 174.1 secs Computing kpt #: 137 total cpu time spent up to now is 175.3 secs Computing kpt #: 138 total cpu time spent up to now is 176.6 secs Computing kpt #: 139 total cpu time spent up to now is 177.8 secs Computing kpt #: 140 total cpu time spent up to now is 179.1 secs Computing kpt #: 141 total cpu time spent up to now is 180.4 secs Computing kpt #: 142 total cpu time spent up to now is 181.7 secs Computing kpt #: 143 total cpu time spent up to now is 183.3 secs Computing kpt #: 144 total cpu time spent up to now is 184.6 secs Computing kpt #: 145 total cpu time spent up to now is 186.0 secs Computing kpt #: 146 total cpu time spent up to now is 187.3 secs Computing kpt #: 147 total cpu time spent up to now is 188.8 secs Computing kpt #: 148 total cpu time spent up to now is 190.3 secs Computing kpt #: 149 total cpu time spent up to now is 191.8 secs Computing kpt #: 150 total cpu time spent up to now is 193.2 secs Computing kpt #: 151 total cpu time spent up to now is 194.7 secs Computing kpt #: 152 total cpu time spent up to now is 196.2 secs Computing kpt #: 153 total cpu time spent up to now is 197.6 secs Computing kpt #: 154 total cpu time spent up to now is 199.0 secs Computing kpt #: 155 total cpu time spent up to now is 200.3 secs Computing kpt #: 156 total cpu time spent up to now is 201.6 secs Computing kpt #: 157 total cpu time spent up to now is 202.8 secs Computing kpt #: 158 total cpu time spent up to now is 204.1 secs Computing kpt #: 159 total cpu time spent up to now is 205.4 secs Computing kpt #: 160 total cpu time spent up to now is 206.6 secs Computing kpt #: 161 total cpu time spent up to now is 207.9 secs Computing kpt #: 162 total cpu time spent up to now is 209.2 secs Computing kpt #: 163 total cpu time spent up to now is 210.4 secs Computing kpt #: 164 total cpu time spent up to now is 211.6 secs Computing kpt #: 165 total cpu time spent up to now is 212.9 secs Computing kpt #: 166 total cpu time spent up to now is 214.2 secs Computing kpt #: 167 total cpu time spent up to now is 215.4 secs Computing kpt #: 168 total cpu time spent up to now is 216.6 secs Computing kpt #: 169 total cpu time spent up to now is 217.9 secs Computing kpt #: 170 total cpu time spent up to now is 219.2 secs Computing kpt #: 171 total cpu time spent up to now is 220.4 secs Computing kpt #: 172 total cpu time spent up to now is 221.7 secs Computing kpt #: 173 total cpu time spent up to now is 222.9 secs Computing kpt #: 174 total cpu time spent up to now is 224.2 secs Computing kpt #: 175 total cpu time spent up to now is 225.5 secs Computing kpt #: 176 total cpu time spent up to now is 226.8 secs Computing kpt #: 177 total cpu time spent up to now is 228.1 secs Computing kpt #: 178 total cpu time spent up to now is 229.4 secs Computing kpt #: 179 total cpu time spent up to now is 230.7 secs Computing kpt #: 180 total cpu time spent up to now is 232.0 secs Computing kpt #: 181 total cpu time spent up to now is 233.3 secs Computing kpt #: 182 total cpu time spent up to now is 234.6 secs Computing kpt #: 183 total cpu time spent up to now is 236.4 secs Computing kpt #: 184 total cpu time spent up to now is 237.7 secs Computing kpt #: 185 total cpu time spent up to now is 239.0 secs Computing kpt #: 186 total cpu time spent up to now is 240.3 secs Computing kpt #: 187 total cpu time spent up to now is 241.6 secs Computing kpt #: 188 total cpu time spent up to now is 243.0 secs Computing kpt #: 189 total cpu time spent up to now is 244.2 secs Computing kpt #: 190 total cpu time spent up to now is 245.5 secs Computing kpt #: 191 total cpu time spent up to now is 246.7 secs Computing kpt #: 192 total cpu time spent up to now is 248.0 secs Computing kpt #: 193 total cpu time spent up to now is 249.2 secs Computing kpt #: 194 total cpu time spent up to now is 250.5 secs Computing kpt #: 195 total cpu time spent up to now is 251.8 secs Computing kpt #: 196 total cpu time spent up to now is 253.0 secs Computing kpt #: 197 total cpu time spent up to now is 254.2 secs Computing kpt #: 198 total cpu time spent up to now is 255.4 secs Computing kpt #: 199 total cpu time spent up to now is 256.6 secs Computing kpt #: 200 total cpu time spent up to now is 257.8 secs Computing kpt #: 201 total cpu time spent up to now is 259.0 secs Computing kpt #: 202 total cpu time spent up to now is 260.2 secs Computing kpt #: 203 total cpu time spent up to now is 261.4 secs Computing kpt #: 204 total cpu time spent up to now is 262.6 secs Computing kpt #: 205 total cpu time spent up to now is 263.7 secs Computing kpt #: 206 total cpu time spent up to now is 264.9 secs Computing kpt #: 207 total cpu time spent up to now is 266.1 secs Computing kpt #: 208 total cpu time spent up to now is 267.3 secs Computing kpt #: 209 total cpu time spent up to now is 268.5 secs Computing kpt #: 210 total cpu time spent up to now is 269.7 secs Computing kpt #: 211 total cpu time spent up to now is 270.9 secs Computing kpt #: 212 total cpu time spent up to now is 272.1 secs Computing kpt #: 213 total cpu time spent up to now is 273.3 secs Computing kpt #: 214 total cpu time spent up to now is 274.5 secs Computing kpt #: 215 total cpu time spent up to now is 275.7 secs Computing kpt #: 216 total cpu time spent up to now is 276.9 secs Computing kpt #: 217 total cpu time spent up to now is 278.1 secs Computing kpt #: 218 total cpu time spent up to now is 279.3 secs Computing kpt #: 219 total cpu time spent up to now is 280.6 secs Computing kpt #: 220 total cpu time spent up to now is 281.8 secs Computing kpt #: 221 total cpu time spent up to now is 283.0 secs Computing kpt #: 222 total cpu time spent up to now is 284.2 secs Computing kpt #: 223 total cpu time spent up to now is 285.4 secs Computing kpt #: 224 total cpu time spent up to now is 286.6 secs Computing kpt #: 225 total cpu time spent up to now is 287.8 secs Computing kpt #: 226 total cpu time spent up to now is 289.0 secs Computing kpt #: 227 total cpu time spent up to now is 290.2 secs Computing kpt #: 228 total cpu time spent up to now is 291.3 secs Computing kpt #: 229 total cpu time spent up to now is 292.6 secs Computing kpt #: 230 total cpu time spent up to now is 293.8 secs Computing kpt #: 231 total cpu time spent up to now is 295.0 secs Computing kpt #: 232 total cpu time spent up to now is 296.2 secs Computing kpt #: 233 total cpu time spent up to now is 297.4 secs Computing kpt #: 234 total cpu time spent up to now is 298.6 secs Computing kpt #: 235 total cpu time spent up to now is 299.8 secs Computing kpt #: 236 total cpu time spent up to now is 301.0 secs Computing kpt #: 237 total cpu time spent up to now is 302.2 secs Computing kpt #: 238 total cpu time spent up to now is 303.4 secs Computing kpt #: 239 total cpu time spent up to now is 304.6 secs Computing kpt #: 240 total cpu time spent up to now is 305.9 secs Computing kpt #: 241 total cpu time spent up to now is 307.1 secs Computing kpt #: 242 total cpu time spent up to now is 308.4 secs Computing kpt #: 243 total cpu time spent up to now is 309.7 secs Computing kpt #: 244 total cpu time spent up to now is 311.0 secs Computing kpt #: 245 total cpu time spent up to now is 312.3 secs Computing kpt #: 246 total cpu time spent up to now is 313.6 secs Computing kpt #: 247 total cpu time spent up to now is 314.9 secs Computing kpt #: 248 total cpu time spent up to now is 316.3 secs Computing kpt #: 249 total cpu time spent up to now is 317.7 secs Computing kpt #: 250 total cpu time spent up to now is 319.2 secs Computing kpt #: 251 total cpu time spent up to now is 320.6 secs Computing kpt #: 252 total cpu time spent up to now is 322.1 secs Computing kpt #: 253 total cpu time spent up to now is 323.6 secs Computing kpt #: 254 total cpu time spent up to now is 325.1 secs Computing kpt #: 255 total cpu time spent up to now is 326.7 secs Computing kpt #: 256 total cpu time spent up to now is 328.2 secs Computing kpt #: 257 total cpu time spent up to now is 329.7 secs Computing kpt #: 258 total cpu time spent up to now is 331.2 secs Computing kpt #: 259 total cpu time spent up to now is 332.7 secs Computing kpt #: 260 total cpu time spent up to now is 334.1 secs Computing kpt #: 261 total cpu time spent up to now is 335.5 secs Computing kpt #: 262 total cpu time spent up to now is 336.9 secs Computing kpt #: 263 total cpu time spent up to now is 338.2 secs Computing kpt #: 264 total cpu time spent up to now is 339.4 secs Computing kpt #: 265 total cpu time spent up to now is 340.7 secs Computing kpt #: 266 total cpu time spent up to now is 341.9 secs Computing kpt #: 267 total cpu time spent up to now is 343.2 secs Computing kpt #: 268 total cpu time spent up to now is 344.4 secs Computing kpt #: 269 total cpu time spent up to now is 345.6 secs Computing kpt #: 270 total cpu time spent up to now is 346.8 secs Computing kpt #: 271 total cpu time spent up to now is 347.9 secs Computing kpt #: 272 total cpu time spent up to now is 349.1 secs Computing kpt #: 273 total cpu time spent up to now is 350.3 secs Computing kpt #: 274 total cpu time spent up to now is 351.5 secs ethr = 1.67E-08, avg # of iterations = 17.7 total cpu time spent up to now is 351.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6421 PWs) bands (ev): -23.4693 -23.4693 -9.7923 -9.7923 -7.2275 -7.2275 -7.0258 -7.0258 -6.9937 -6.9937 -6.7476 -6.7476 -6.7018 -6.7018 -6.6298 -6.6298 -3.0395 -3.0395 0.0271 0.0271 0.1882 0.1882 0.2007 0.2007 1.3282 1.3282 1.9112 1.9112 2.0443 2.0443 2.1486 2.1486 2.3385 2.3385 2.4066 2.4066 2.6026 2.6026 2.7445 2.7445 2.8106 2.8106 3.3319 3.3319 3.5466 3.5466 4.1997 4.1997 4.3359 4.3359 4.3391 4.3391 4.4443 4.4443 4.8908 4.8908 4.9015 4.9015 5.3083 5.3083 7.4206 7.4206 9.4648 9.4648 9.7366 9.7366 9.9446 9.9446 10.0060 10.0060 10.7116 10.7116 k = 0.0000 0.0000 0.0195 ( 6413 PWs) bands (ev): -23.4693 -23.4693 -9.7921 -9.7921 -7.2308 -7.2242 -7.0264 -7.0262 -6.9988 -6.9871 -6.7490 -6.7478 -6.7032 -6.7031 -6.6316 -6.6256 -3.0386 -3.0385 0.0271 0.0276 0.1874 0.1884 0.2001 0.2011 1.3262 1.3310 1.9054 1.9186 2.0316 2.0553 2.1447 2.1539 2.3253 2.3486 2.3983 2.4189 2.5919 2.6138 2.7427 2.7494 2.8062 2.8157 3.3237 3.3390 3.5427 3.5511 4.1851 4.2054 4.2990 4.3117 4.3476 4.3551 4.4511 4.4834 4.8855 4.8879 4.8967 4.9009 5.3065 5.3092 7.4268 7.4282 9.4621 9.4651 9.7306 9.7317 9.9406 9.9466 10.0047 10.0047 10.7081 10.7191 k = 0.0000 0.0000 0.0390 ( 6413 PWs) bands (ev): -23.4693 -23.4693 -9.7916 -9.7916 -7.2341 -7.2209 -7.0285 -7.0273 -7.0018 -6.9796 -6.7521 -6.7497 -6.7072 -6.7061 -6.6311 -6.6198 -3.0357 -3.0355 0.0276 0.0286 0.1844 0.1863 0.2010 0.2030 1.3249 1.3345 1.9013 1.9274 2.0176 2.0640 2.1418 2.1609 2.3102 2.3555 2.3930 2.4348 2.5827 2.6234 2.7459 2.7561 2.8026 2.8214 3.3145 3.3448 3.5396 3.5563 4.1641 4.2002 4.2515 4.2720 4.3438 4.3736 4.4964 4.5373 4.8684 4.8735 4.8909 4.8985 5.3036 5.3087 7.4464 7.4492 9.4569 9.4630 9.7146 9.7171 9.9314 9.9430 10.0030 10.0034 10.7081 10.7296 k = 0.0000 0.0000 0.0584 ( 6409 PWs) bands (ev): -23.4693 -23.4693 -9.7907 -9.7907 -7.2373 -7.2177 -7.0322 -7.0287 -7.0029 -6.9713 -6.7570 -6.7538 -6.7127 -6.7100 -6.6287 -6.6132 -3.0309 -3.0305 0.0287 0.0303 0.1775 0.1802 0.2051 0.2080 1.3243 1.3385 1.8988 1.9374 2.0029 2.0702 2.1397 2.1691 2.2952 2.3603 2.3897 2.4532 2.5758 2.6298 2.7558 2.7639 2.8001 2.8278 3.3044 3.3493 3.5372 3.5623 4.1381 4.1852 4.2043 4.2247 4.3470 4.3918 4.5522 4.5958 4.8400 4.8477 4.8852 4.8960 5.2991 5.3061 7.4790 7.4829 9.4490 9.4580 9.6916 9.6959 9.9130 9.9283 10.0056 10.0057 10.7099 10.7410 k = 0.0000 0.0000 0.0779 ( 6423 PWs) bands (ev): -23.4693 -23.4693 -9.7895 -9.7895 -7.2403 -7.2148 -7.0368 -7.0303 -7.0025 -6.9627 -6.7638 -6.7608 -6.7184 -6.7138 -6.6250 -6.6063 -3.0241 -3.0236 0.0306 0.0325 0.1671 0.1706 0.2120 0.2159 1.3246 1.3431 1.8975 1.9480 1.9879 2.0739 2.1378 2.1767 2.2827 2.3639 2.3877 2.4728 2.5714 2.6319 2.7719 2.7722 2.7999 2.8349 3.2934 3.3524 3.5354 3.5691 4.1079 4.1599 4.1621 4.1774 4.3539 4.4092 4.6115 4.6565 4.8036 4.8134 4.8787 4.8925 5.2923 5.3006 7.5234 7.5284 9.4379 9.4497 9.6648 9.6710 9.8853 9.9025 10.0111 10.0120 10.7108 10.7504 k = 0.0000 0.0000 0.0974 ( 6427 PWs) bands (ev): -23.4693 -23.4693 -9.7879 -9.7879 -7.2432 -7.2122 -7.0417 -7.0320 -7.0012 -6.9538 -6.7725 -6.7708 -6.7232 -6.7173 -6.6207 -6.5994 -3.0156 -3.0149 0.0332 0.0355 0.1539 0.1580 0.2212 0.2259 1.3257 1.3483 1.8968 1.9588 1.9732 2.0753 2.1361 2.1805 2.2762 2.3670 2.3864 2.4927 2.5696 2.6308 2.7806 2.7853 2.8108 2.8429 3.2819 3.3541 3.5344 3.5767 4.0738 4.1193 4.1258 4.1400 4.3609 4.4246 4.6723 4.7179 4.7622 4.7738 4.8715 4.8879 5.2825 5.2916 7.5785 7.5842 9.4229 9.4370 9.6372 9.6451 9.8509 9.8692 10.0173 10.0191 10.7078 10.7548 k = 0.0000 0.0000 0.1169 ( 6431 PWs) bands (ev): -23.4693 -23.4693 -9.7861 -9.7861 -7.2459 -7.2100 -7.0466 -7.0337 -6.9996 -6.9451 -6.7833 -6.7827 -6.7270 -6.7203 -6.6162 -6.5928 -3.0053 -3.0044 0.0367 0.0394 0.1383 0.1429 0.2322 0.2377 1.3276 1.3539 1.8956 1.9598 1.9692 2.0749 2.1341 2.1771 2.2791 2.3703 2.3858 2.5117 2.5705 2.6280 2.7876 2.7887 2.8393 2.8519 3.2699 3.3544 3.5340 3.5854 4.0372 4.0819 4.0819 4.1093 4.3650 4.4365 4.7187 4.7293 4.7368 4.7783 4.8651 4.8826 5.2693 5.2788 7.6429 7.6490 9.4037 9.4192 9.6113 9.6202 9.8123 9.8310 10.0229 10.0254 10.6982 10.7513 k = 0.0000 0.0000 0.1364 ( 6427 PWs) bands (ev): -23.4693 -23.4693 -9.7839 -9.7839 -7.2485 -7.2083 -7.0513 -7.0355 -6.9980 -6.9369 -6.7974 -6.7939 -6.7300 -6.7228 -6.6117 -6.5864 -2.9933 -2.9923 0.0413 0.0443 0.1207 0.1257 0.2448 0.2510 1.3303 1.3600 1.8920 1.9493 1.9784 2.0732 2.1318 2.1667 2.2908 2.3738 2.3857 2.5287 2.5739 2.6257 2.7874 2.7960 2.8623 2.8760 3.2577 3.3533 3.5344 3.5951 3.9998 4.0401 4.0465 4.0768 4.3633 4.4424 4.6780 4.6927 4.7939 4.8235 4.8728 4.8782 5.2524 5.2619 7.7149 7.7213 9.3800 9.3957 9.5888 9.5976 9.7712 9.7900 10.0271 10.0301 10.6799 10.7377 k = 0.0000 0.0000 0.1559 ( 6429 PWs) bands (ev): -23.4693 -23.4693 -9.7814 -9.7813 -7.2509 -7.2073 -7.0557 -7.0373 -6.9966 -6.9300 -6.8116 -6.8055 -6.7326 -6.7250 -6.6073 -6.5805 -2.9798 -2.9786 0.0468 0.0501 0.1015 0.1068 0.2586 0.2656 1.3338 1.3665 1.8841 1.9435 1.9854 2.0709 2.1290 2.1522 2.3082 2.3780 2.3861 2.5417 2.5796 2.6264 2.7867 2.8020 2.8744 2.9174 3.2454 3.3510 3.5355 3.6061 3.9630 4.0017 4.0125 4.0422 4.3528 4.4383 4.6453 4.6600 4.8265 4.8384 4.8881 4.9216 5.2318 5.2409 7.7931 7.7995 9.3523 9.3669 9.5702 9.5778 9.7287 9.7475 10.0299 10.0334 10.6514 10.7129 k = 0.0000 0.0000 0.1753 ( 6433 PWs) bands (ev): -23.4692 -23.4692 -9.7786 -9.7785 -7.2531 -7.2070 -7.0597 -7.0392 -6.9958 -6.9256 -6.8244 -6.8169 -6.7349 -6.7269 -6.6031 -6.5750 -2.9649 -2.9635 0.0532 0.0571 0.0809 0.0867 0.2735 0.2811 1.3381 1.3735 1.8717 1.9423 1.9892 2.0686 2.1256 2.1360 2.3285 2.3826 2.3869 2.5488 2.5872 2.6326 2.7859 2.8065 2.8883 2.9618 3.2332 3.3475 3.5375 3.6184 3.9269 3.9672 3.9803 4.0055 4.3317 4.4204 4.6258 4.6370 4.8154 4.8425 4.9371 4.9830 5.2074 5.2161 7.8760 7.8822 9.3214 9.3341 9.5551 9.5607 9.6859 9.7046 10.0318 10.0356 10.6124 10.6764 k = 0.0000 0.0000 0.1948 ( 6429 PWs) bands (ev): -23.4692 -23.4692 -9.7755 -9.7755 -7.2552 -7.2075 -7.0633 -7.0410 -6.9961 -6.9259 -6.8333 -6.8275 -6.7372 -6.7287 -6.5992 -6.5699 -2.9488 -2.9471 0.0578 0.0593 0.0651 0.0684 0.2892 0.2974 1.3431 1.3810 1.8561 1.9442 1.9885 2.0674 2.1198 2.1215 2.3500 2.3879 2.3882 2.5498 2.5964 2.6445 2.7849 2.8092 2.9040 3.0082 3.2213 3.3429 3.5406 3.6320 3.8906 3.9369 3.9515 3.9670 4.3003 4.3892 4.6200 4.6248 4.8009 4.8331 4.9980 5.0462 5.1797 5.1876 7.9620 7.9679 9.2885 9.2989 9.5425 9.5455 9.6434 9.6620 10.0333 10.0376 10.5630 10.6287 k = 0.0000 0.0000 0.2143 ( 6425 PWs) bands (ev): -23.4692 -23.4692 -9.7721 -9.7721 -7.2571 -7.2088 -7.0665 -7.0429 -6.9979 -6.9327 -6.8365 -6.8363 -6.7395 -6.7304 -6.5956 -6.5652 -2.9314 -2.9296 0.0370 0.0410 0.0719 0.0743 0.3054 0.3143 1.3489 1.3890 1.8385 1.9476 1.9824 2.0672 2.1047 2.1169 2.3712 2.3903 2.3935 2.5471 2.6068 2.6604 2.7838 2.8100 2.9212 3.0549 3.2100 3.3375 3.5452 3.6470 3.8531 3.9093 3.9281 3.9287 4.2616 4.3499 4.6216 4.6239 4.7844 4.8202 5.0601 5.1093 5.1491 5.1558 8.0496 8.0551 9.2547 9.2626 9.5315 9.5318 9.6017 9.6203 10.0353 10.0400 10.5043 10.5711 k = 0.0000 0.0000 0.2338 ( 6421 PWs) bands (ev): -23.4692 -23.4692 -9.7686 -9.7685 -7.2590 -7.2111 -7.0695 -7.0447 -7.0016 -6.9457 -6.8434 -6.8334 -6.7417 -6.7319 -6.5923 -6.5609 -2.9132 -2.9112 0.0143 0.0186 0.0816 0.0845 0.3220 0.3314 1.3554 1.3974 1.8198 1.9516 1.9711 2.0661 2.0932 2.1118 2.3867 2.3978 2.3991 2.5428 2.6180 2.6784 2.7825 2.8091 2.9394 3.1002 3.1995 3.3315 3.5523 3.6630 3.8141 3.8743 3.9016 3.9120 4.2193 4.3072 4.6246 4.6331 4.7662 4.8053 5.1077 5.1203 5.1301 5.1726 8.1373 8.1424 9.2213 9.2267 9.5186 9.5213 9.5610 9.5801 10.0385 10.0439 10.4376 10.5050 k = 0.0000 0.0000 0.2533 ( 6427 PWs) bands (ev): -23.4692 -23.4692 -9.7648 -9.7647 -7.2609 -7.2143 -7.0722 -7.0466 -7.0075 -6.9630 -6.8476 -6.8264 -6.7440 -6.7333 -6.5893 -6.5570 -2.8940 -2.8918 -0.0086 -0.0044 0.0926 0.0958 0.3386 0.3486 1.3626 1.4064 1.8003 1.9553 1.9554 2.0597 2.0890 2.1064 2.3904 2.4042 2.4162 2.5387 2.6296 2.6969 2.7810 2.8064 2.9577 3.1419 3.1901 3.3250 3.5628 3.6794 3.7738 3.8302 3.8883 3.9045 4.1764 4.2642 4.6313 4.6447 4.7465 4.7887 5.0768 5.0830 5.1866 5.2342 8.2233 8.2280 9.1892 9.1921 9.5048 9.5111 9.5220 9.5422 10.0441 10.0502 10.3645 10.4321 k = 0.0000 0.0000 0.2728 ( 6433 PWs) bands (ev): -23.4692 -23.4692 -9.7608 -9.7607 -7.2628 -7.2185 -7.0748 -7.0485 -7.0153 -6.9827 -6.8490 -6.8168 -6.7463 -6.7344 -6.5867 -6.5534 -2.8742 -2.8719 -0.0315 -0.0275 0.1046 0.1080 0.3552 0.3657 1.3705 1.4159 1.7803 1.9362 1.9583 2.0483 2.0911 2.1009 2.3920 2.4084 2.4355 2.5360 2.6414 2.7145 2.7799 2.8021 2.9754 3.1774 3.1819 3.3183 3.5778 3.6953 3.7334 3.7832 3.8841 3.9069 4.1350 4.2226 4.6396 4.6570 4.7255 4.7707 5.0393 5.0437 5.2470 5.2946 8.3060 8.3105 9.1595 9.1600 9.4828 9.4861 9.5023 9.5106 10.0529 10.0598 10.2869 10.3542 k = 0.0000 0.0000 0.2922 ( 6437 PWs) bands (ev): -23.4692 -23.4692 -9.7566 -9.7565 -7.2648 -7.2237 -7.0775 -7.0505 -7.0247 -7.0037 -6.8479 -6.8058 -6.7486 -6.7354 -6.5844 -6.5503 -2.8539 -2.8514 -0.0542 -0.0504 0.1177 0.1212 0.3715 0.3825 1.3790 1.4259 1.7601 1.9145 1.9602 2.0351 2.0955 2.0959 2.3931 2.4109 2.4538 2.5356 2.6530 2.7290 2.7810 2.7964 2.9914 3.1752 3.2048 3.3113 3.5978 3.6939 3.7101 3.7356 3.8885 3.9200 4.0964 4.1829 4.6479 4.6682 4.7037 4.7514 5.0008 5.0034 5.3060 5.3534 8.3833 8.3878 9.1313 9.1332 9.4456 9.4561 9.4915 9.4925 10.0662 10.0733 10.2069 10.2731 k = 0.0000 0.0000 0.3117 ( 6449 PWs) bands (ev): -23.4692 -23.4692 -9.7523 -9.7522 -7.2670 -7.2299 -7.0806 -7.0526 -7.0349 -7.0250 -6.8446 -6.7939 -6.7509 -6.7361 -6.5824 -6.5475 -2.8333 -2.8305 -0.0765 -0.0729 0.1315 0.1351 0.3873 0.3987 1.3883 1.4364 1.7397 1.8908 1.9604 2.0212 2.0915 2.1007 2.3936 2.4117 2.4710 2.5378 2.6645 2.7368 2.7874 2.7896 3.0048 3.1701 3.2230 3.3038 3.6222 3.6567 3.6888 3.7231 3.9020 3.9442 4.0618 4.1457 4.6542 4.6706 4.6871 4.7309 4.9631 4.9638 5.3632 5.4101 8.4532 8.4579 9.1073 9.1115 9.4089 9.4209 9.4782 9.4826 10.0847 10.0865 10.1317 10.1906 k = 0.0000 0.0000 0.3312 ( 6449 PWs) bands (ev): -23.4692 -23.4692 -9.7479 -9.7478 -7.2694 -7.2371 -7.0845 -7.0558 -7.0451 -7.0448 -6.8398 -6.7815 -6.7531 -6.7365 -6.5809 -6.5451 -2.8124 -2.8095 -0.0982 -0.0948 0.1460 0.1498 0.4024 0.4143 1.3981 1.4475 1.7192 1.8658 1.9586 2.0068 2.0882 2.1060 2.3935 2.4106 2.4869 2.5429 2.6756 2.7365 2.7819 2.8003 3.0148 3.1665 3.2327 3.2953 3.6230 3.6436 3.6499 3.7352 3.9231 3.9787 4.0337 4.1110 4.6499 4.6562 4.6879 4.7094 4.9270 4.9285 5.4182 5.4643 8.5135 8.5185 9.0892 9.0955 9.3722 9.3842 9.4663 9.4727 10.0371 10.1085 10.1098 10.1267 k = 0.0000 0.0000 0.3507 ( 6441 PWs) bands (ev): -23.4692 -23.4692 -9.7434 -9.7433 -7.2722 -7.2452 -7.0897 -7.0692 -7.0543 -7.0534 -6.8338 -6.7689 -6.7553 -6.7363 -6.5797 -6.5432 -2.7915 -2.7885 -0.1192 -0.1161 0.1612 0.1650 0.4167 0.4289 1.4086 1.4592 1.6990 1.8398 1.9546 1.9920 2.0863 2.1112 2.3929 2.4080 2.5014 2.5503 2.6864 2.7306 2.7736 2.8168 3.0212 3.1642 3.2352 3.2852 3.5940 3.6042 3.6763 3.7469 3.9420 4.0220 4.0221 4.0787 4.6234 4.6505 4.6854 4.6874 4.8968 4.8998 5.4704 5.5158 8.5622 8.5678 9.0782 9.0864 9.3346 9.3459 9.4552 9.4628 9.9615 10.0295 10.1415 10.1584 k = 0.0000 0.0000 0.3702 ( 6445 PWs) bands (ev): -23.4692 -23.4692 -9.7389 -9.7388 -7.2755 -7.2543 -7.0965 -7.0885 -7.0600 -7.0568 -6.8272 -6.7590 -6.7544 -6.7356 -6.5789 -6.5417 -2.7707 -2.7677 -0.1394 -0.1365 0.1768 0.1808 0.4301 0.4425 1.4197 1.4714 1.6790 1.8131 1.9483 1.9765 2.0858 2.1163 2.3916 2.4044 2.5144 2.5595 2.6969 2.7215 2.7651 2.8345 3.0240 3.1628 3.2314 3.2737 3.5700 3.5704 3.7020 3.7592 3.9379 4.0468 4.0482 4.0733 4.5947 4.6347 4.6643 4.6726 4.8770 4.8804 5.5196 5.5640 8.5981 8.6041 9.0748 9.0845 9.2953 9.3050 9.4448 9.4532 9.8897 9.9551 10.1812 10.1996 k = 0.0000 0.0000 0.3897 ( 6441 PWs) bands (ev): -23.4692 -23.4692 -9.7344 -9.7343 -7.2795 -7.2642 -7.1070 -7.1047 -7.0647 -7.0588 -6.8204 -6.7603 -6.7423 -6.7341 -6.5785 -6.5406 -2.7503 -2.7471 -0.1586 -0.1560 0.1928 0.1968 0.4423 0.4550 1.4313 1.4842 1.6596 1.7860 1.9398 1.9605 2.0866 2.1210 2.3898 2.4003 2.5259 2.5699 2.7071 2.7101 2.7568 2.8523 3.0234 3.1622 3.2205 3.2630 3.5429 3.5529 3.7259 3.7726 3.9189 4.0209 4.0973 4.1291 4.5639 4.6084 4.6400 4.6483 4.8691 4.8715 5.5651 5.6085 8.6212 8.6273 9.0787 9.0891 9.2531 9.2605 9.4352 9.4441 9.8255 9.8875 10.2291 10.2494 k = 0.0000 0.0000 0.4091 ( 6425 PWs) bands (ev): -23.4692 -23.4692 -9.7300 -9.7299 -7.2844 -7.2747 -7.1239 -7.1134 -7.0678 -7.0605 -6.8138 -6.7624 -6.7317 -6.7294 -6.5786 -6.5399 -2.7303 -2.7271 -0.1768 -0.1745 0.2090 0.2131 0.4533 0.4662 1.4433 1.4976 1.6410 1.7588 1.9294 1.9438 2.0886 2.1254 2.3875 2.3963 2.5355 2.5808 2.6971 2.7169 2.7491 2.8695 3.0200 3.1623 3.2019 3.2552 3.5236 3.5415 3.7485 3.7872 3.8974 3.9957 4.1585 4.1885 4.5308 4.5727 4.6158 4.6165 4.8708 4.8714 5.6067 5.6489 8.6331 8.6391 9.0880 9.0984 9.2071 9.2116 9.4266 9.4356 9.7708 9.8287 10.2852 10.3075 k = 0.0000 0.0000 0.4286 ( 6423 PWs) bands (ev): -23.4691 -23.4691 -9.7257 -9.7255 -7.2903 -7.2858 -7.1389 -7.1222 -7.0700 -7.0622 -6.8077 -6.7645 -6.7282 -6.7167 -6.5790 -6.5397 -2.7109 -2.7078 -0.1939 -0.1918 0.2252 0.2295 0.4631 0.4760 1.4556 1.5114 1.6236 1.7317 1.9173 1.9264 2.0915 2.1294 2.3849 2.3924 2.5432 2.5919 2.6828 2.7251 2.7435 2.8858 3.0145 3.1632 3.1773 3.2497 3.5120 3.5360 3.7701 3.8030 3.8767 3.9730 4.2235 4.2481 4.4950 4.5298 4.5831 4.5936 4.8773 4.8785 5.6439 5.6848 8.6363 8.6418 9.1002 9.1096 9.1569 9.1585 9.4191 9.4280 9.7268 9.7798 10.3492 10.3736 k = 0.0000 0.0000 0.4481 ( 6421 PWs) bands (ev): -23.4691 -23.4691 -9.7214 -9.7213 -7.2972 -7.2970 -7.1517 -7.1305 -7.0717 -7.0638 -6.8024 -6.7666 -6.7236 -6.7041 -6.5799 -6.5400 -2.6924 -2.6893 -0.2099 -0.2080 0.2414 0.2457 0.4716 0.4844 1.4678 1.5259 1.6077 1.7051 1.9038 1.9084 2.0950 2.1330 2.3820 2.3890 2.5489 2.6026 2.6676 2.7270 2.7449 2.9009 3.0077 3.1496 3.1651 3.2457 3.5076 3.5358 3.7905 3.8194 3.8585 3.9536 4.2868 4.3013 4.4579 4.4822 4.5552 4.5764 4.8869 4.8893 5.6764 5.7159 8.6333 8.6382 9.0976 9.1027 9.1133 9.1248 9.4129 9.4213 9.6935 9.7414 10.4206 10.4469 k = 0.0000 0.0000 0.4676 ( 6419 PWs) bands (ev): -23.4691 -23.4691 -9.7174 -9.7173 -7.3083 -7.3051 -7.1622 -7.1383 -7.0729 -7.0654 -6.7981 -6.7685 -6.7178 -6.6919 -6.5812 -6.5409 -2.6748 -2.6718 -0.2246 -0.2229 0.2573 0.2617 0.4787 0.4913 1.4795 1.5408 1.5941 1.6790 1.8892 1.8898 2.0990 2.1362 2.3790 2.3861 2.5524 2.6128 2.6517 2.7226 2.7536 2.9147 3.0004 3.1207 3.1680 3.2425 3.5096 3.5402 3.8064 3.8350 3.8467 3.9387 4.3310 4.3398 4.4258 4.4321 4.5443 4.5707 4.8984 4.9016 5.7038 5.7417 8.6265 8.6307 9.0389 9.0458 9.1251 9.1341 9.4079 9.4156 9.6703 9.7130 10.4985 10.5266 k = 0.0000 0.0000 0.4871 ( 6427 PWs) bands (ev): -23.4691 -23.4691 -9.7136 -9.7135 -7.3192 -7.3138 -7.1705 -7.1454 -7.0738 -7.0668 -6.7947 -6.7704 -6.7109 -6.6801 -6.5829 -6.5422 -2.6583 -2.6554 -0.2380 -0.2366 0.2728 0.2772 0.4846 0.4968 1.4898 1.5561 1.5839 1.6539 1.8707 1.8737 2.1033 2.1388 2.3762 2.3837 2.5539 2.6222 2.6357 2.7170 2.7645 2.9269 2.9933 3.0920 3.1718 3.2397 3.5175 3.5487 3.8072 3.8467 3.8523 3.9314 4.3166 4.3704 4.3807 4.4048 4.5651 4.5870 4.9107 4.9145 5.7260 5.7621 8.6175 8.6211 8.9784 8.9876 9.1351 9.1427 9.4040 9.4110 9.6558 9.6935 10.5819 10.6114 k = 0.0000 0.0000 0.5066 ( 6421 PWs) bands (ev): -23.4691 -23.4691 -9.7101 -9.7099 -7.3297 -7.3229 -7.1768 -7.1519 -7.0745 -7.0682 -6.7920 -6.7722 -6.7033 -6.6688 -6.5850 -6.5441 -2.6430 -2.6403 -0.2501 -0.2489 0.2877 0.2921 0.4892 0.5010 1.4973 1.5718 1.5786 1.6300 1.8511 1.8574 2.1078 2.1410 2.3737 2.3818 2.5537 2.6198 2.6306 2.7114 2.7764 2.9376 2.9871 3.0643 3.1764 3.2372 3.5305 3.5604 3.7970 3.8510 3.8714 3.9354 4.2751 4.3293 4.3739 4.3821 4.6133 4.6287 4.9231 4.9271 5.7428 5.7769 8.6075 8.6105 8.9193 8.9300 9.1430 9.1492 9.4012 9.4072 9.6484 9.6816 10.6695 10.7001 k = 0.0000 0.0000 0.5260 ( 6417 PWs) bands (ev): -23.4691 -23.4691 -9.7068 -9.7067 -7.3393 -7.3320 -7.1814 -7.1577 -7.0751 -7.0694 -6.7899 -6.7738 -6.6951 -6.6583 -6.5873 -6.5465 -2.6291 -2.6267 -0.2609 -0.2598 0.3018 0.3062 0.4927 0.5038 1.5007 1.5798 1.5871 1.6084 1.8311 1.8406 2.1123 2.1426 2.3716 2.3804 2.5521 2.6045 2.6381 2.7059 2.7891 2.9468 2.9822 3.0381 3.1815 3.2348 3.5479 3.5749 3.7859 3.8483 3.8940 3.9504 4.2256 4.2787 4.3541 4.3594 4.6726 4.6852 4.9350 4.9391 5.7545 5.7863 8.5975 8.6000 8.8633 8.8748 9.1487 9.1538 9.3992 9.4043 9.6467 9.6758 10.7602 10.7914 k = 0.0000 0.0000 0.5455 ( 6403 PWs) bands (ev): -23.4691 -23.4691 -9.7039 -9.7038 -7.3480 -7.3408 -7.1845 -7.1629 -7.0755 -7.0706 -6.7884 -6.7754 -6.6866 -6.6487 -6.5896 -6.5495 -2.6168 -2.6146 -0.2703 -0.2694 0.3149 0.3192 0.4951 0.5054 1.5004 1.5839 1.5873 1.6073 1.8108 1.8232 2.1167 2.1437 2.3701 2.3793 2.5496 2.5901 2.6445 2.7004 2.8025 2.9543 2.9785 3.0136 3.1870 3.2324 3.5689 3.5912 3.7765 3.8429 3.9174 3.9722 4.1740 4.2301 4.3236 4.3360 4.7340 4.7459 4.9460 4.9502 5.7614 5.7905 8.5880 8.5900 8.8122 8.8235 9.1527 9.1567 9.3977 9.4019 9.6492 9.6743 10.8526 10.8838 k = 0.0000 0.0000 0.5650 ( 6408 PWs) bands (ev): -23.4691 -23.4691 -9.7014 -9.7013 -7.3555 -7.3489 -7.1865 -7.1677 -7.0758 -7.0717 -6.7871 -6.7769 -6.6780 -6.6406 -6.5916 -6.5531 -2.6061 -2.6042 -0.2782 -0.2775 0.3268 0.3308 0.4968 0.5059 1.4982 1.5656 1.5993 1.6235 1.7903 1.8055 2.1210 2.1442 2.3691 2.3783 2.5466 2.5771 2.6501 2.6951 2.8166 2.9603 2.9761 2.9908 3.1924 3.2299 3.5924 3.6085 3.7699 3.8381 3.9402 3.9976 4.1225 4.1850 4.2921 4.3083 4.7929 4.8048 4.9558 4.9600 5.7643 5.7901 8.5794 8.5810 8.7673 8.7778 9.1553 9.1584 9.3968 9.4001 9.6546 9.6758 10.9448 10.9755 k = 0.0000 0.0000 0.5845 ( 6400 PWs) bands (ev): -23.4691 -23.4691 -9.6993 -9.6992 -7.3617 -7.3561 -7.1874 -7.1718 -7.0759 -7.0726 -6.7861 -6.7782 -6.6695 -6.6345 -6.5925 -6.5572 -2.5971 -2.5955 -0.2847 -0.2842 0.3373 0.3408 0.4978 0.5056 1.4959 1.5485 1.6143 1.6408 1.7697 1.7875 2.1252 2.1442 2.3688 2.3774 2.5437 2.5657 2.6550 2.6898 2.8312 2.9635 2.9711 2.9748 3.1976 3.2274 3.6166 3.6256 3.7674 3.8357 3.9601 4.0246 4.0735 4.1463 4.2603 4.2783 4.8464 4.8581 4.9642 4.9684 5.7641 5.7862 8.5720 8.5733 8.7294 8.7385 9.1569 9.1592 9.3961 9.3987 9.6616 9.6789 11.0349 11.0642 k = 0.0000 0.0000 0.6040 ( 6402 PWs) bands (ev): -23.4691 -23.4691 -9.6976 -9.6976 -7.3665 -7.3621 -7.1875 -7.1756 -7.0759 -7.0734 -6.7852 -6.7794 -6.6613 -6.6316 -6.5916 -6.5619 -2.5900 -2.5888 -0.2898 -0.2894 0.3460 0.3489 0.4985 0.5047 1.4947 1.5336 1.6310 1.6584 1.7492 1.7693 2.1290 2.1435 2.3691 2.3764 2.5412 2.5562 2.6594 2.6848 2.8464 2.9485 2.9696 2.9743 3.2026 3.2247 3.6388 3.6412 3.7709 3.8361 3.9728 4.0230 4.0580 4.1191 4.2288 4.2470 4.8917 4.9026 4.9710 4.9753 5.7622 5.7798 8.5662 8.5671 8.6996 8.7068 9.1579 9.1595 9.3957 9.3976 9.6691 9.6823 11.1194 11.1470 k = 0.0000 0.0000 0.6235 ( 6392 PWs) bands (ev): -23.4691 -23.4691 -9.6964 -9.6964 -7.3697 -7.3667 -7.1868 -7.1788 -7.0758 -7.0742 -6.7843 -6.7805 -6.6535 -6.6319 -6.5884 -6.5670 -2.5848 -2.5840 -0.2934 -0.2932 0.3527 0.3548 0.4991 0.5034 1.4953 1.5210 1.6489 1.6761 1.7290 1.7510 2.1325 2.1424 2.3699 2.3752 2.5396 2.5489 2.6635 2.6801 2.8620 2.9299 2.9717 2.9741 3.2072 3.2218 3.6538 3.6554 3.7824 3.8378 3.9727 3.9851 4.0870 4.1103 4.1980 4.2151 4.9267 4.9358 4.9764 4.9805 5.7603 5.7726 8.5619 8.5625 8.6782 8.6832 9.1585 9.1595 9.3956 9.3967 9.6760 9.6849 11.1893 11.2187 k = 0.0000 0.0000 0.6429 ( 6392 PWs) bands (ev): -23.4691 -23.4691 -9.6957 -9.6956 -7.3713 -7.3698 -7.1856 -7.1816 -7.0756 -7.0748 -6.7834 -6.7816 -6.6464 -6.6351 -6.5837 -6.5725 -2.5816 -2.5812 -0.2956 -0.2954 0.3571 0.3582 0.4999 0.5021 1.4981 1.5109 1.6676 1.6924 1.7107 1.7328 2.1357 2.1406 2.3711 2.3739 2.5392 2.5437 2.6675 2.6757 2.8781 2.9120 2.9731 2.9741 3.2114 3.2187 3.6624 3.6644 3.8013 3.8353 3.9591 3.9619 4.1178 4.1200 4.1690 4.1831 4.9492 4.9548 4.9809 4.9838 5.7598 5.7661 8.5594 8.5597 8.6658 8.6684 9.1588 9.1593 9.3956 9.3961 9.6814 9.6859 11.2035 11.2128 k = 0.0000 0.0000 0.6624 ( 6388 PWs) bands (ev): -23.4691 -23.4691 -9.6954 -9.6954 -7.3714 -7.3714 -7.1838 -7.1838 -7.0752 -7.0752 -6.7825 -6.7825 -6.6401 -6.6401 -6.5781 -6.5781 -2.5804 -2.5804 -0.2963 -0.2963 0.3589 0.3589 0.5008 0.5008 1.5032 1.5032 1.6862 1.6862 1.7152 1.7152 2.1384 2.1384 2.3725 2.3725 2.5405 2.5405 2.6715 2.6715 2.8947 2.8947 2.9739 2.9739 3.2152 3.2152 3.6663 3.6663 3.8221 3.8221 3.9529 3.9529 4.1388 4.1388 4.1533 4.1533 4.9587 4.9587 4.9840 4.9840 5.7616 5.7616 8.5587 8.5587 8.6625 8.6625 9.1591 9.1591 9.3958 9.3958 9.6848 9.6848 11.2029 11.2029 k = 0.0000 0.0000 0.6624 ( 6388 PWs) bands (ev): -23.4691 -23.4691 -9.6954 -9.6954 -7.3714 -7.3714 -7.1838 -7.1838 -7.0752 -7.0752 -6.7825 -6.7825 -6.6401 -6.6401 -6.5781 -6.5781 -2.5804 -2.5804 -0.2963 -0.2963 0.3589 0.3589 0.5008 0.5008 1.5032 1.5032 1.6862 1.6862 1.7152 1.7152 2.1384 2.1384 2.3725 2.3725 2.5405 2.5405 2.6715 2.6715 2.8947 2.8947 2.9739 2.9739 3.2152 3.2152 3.6663 3.6663 3.8221 3.8221 3.9529 3.9529 4.1388 4.1388 4.1533 4.1533 4.9587 4.9587 4.9840 4.9840 5.7616 5.7616 8.5587 8.5587 8.6625 8.6625 9.1591 9.1591 9.3958 9.3958 9.6848 9.6848 11.2029 11.2029 k =-0.0144 0.0125 0.6624 ( 6392 PWs) bands (ev): -23.4691 -23.4691 -9.6953 -9.6953 -7.3726 -7.3701 -7.1911 -7.1771 -7.0855 -7.0637 -6.7845 -6.7825 -6.6429 -6.6377 -6.5789 -6.5764 -2.5805 -2.5803 -0.2950 -0.2945 0.3589 0.3599 0.5004 0.5022 1.5006 1.5044 1.6793 1.6933 1.7129 1.7193 2.1320 2.1430 2.3713 2.3737 2.5308 2.5502 2.6658 2.6770 2.8936 2.8963 2.9725 2.9749 3.2088 3.2199 3.6602 3.6711 3.8114 3.8249 3.9274 3.9692 4.1184 4.1439 4.1529 4.1815 4.9280 4.9454 5.0002 5.0160 5.7594 5.7619 8.5584 8.5586 8.6629 8.6629 9.1597 9.1601 9.3927 9.3941 9.6859 9.6869 11.1931 11.2027 k =-0.0288 0.0250 0.6624 ( 6390 PWs) bands (ev): -23.4691 -23.4691 -9.6951 -9.6951 -7.3737 -7.3688 -7.1984 -7.1715 -7.0938 -7.0513 -6.7883 -6.7845 -6.6458 -6.6357 -6.5788 -6.5739 -2.5806 -2.5804 -0.2907 -0.2897 0.3597 0.3618 0.5009 0.5044 1.4965 1.5040 1.6729 1.7004 1.7124 1.7251 2.1238 2.1455 2.3700 2.3749 2.5215 2.5592 2.6603 2.6824 2.8929 2.8982 2.9710 2.9755 3.2009 3.2230 3.6518 3.6753 3.7940 3.8194 3.8984 3.9694 4.1029 4.1507 4.1668 4.2147 4.8974 4.9156 5.0369 5.0521 5.7553 5.7602 8.5577 8.5582 8.6639 8.6640 9.1620 9.1628 9.3852 9.3879 9.6901 9.6922 11.1766 11.1908 k =-0.0432 0.0375 0.6624 ( 6398 PWs) bands (ev): -23.4691 -23.4691 -9.6948 -9.6948 -7.3748 -7.3674 -7.2056 -7.1681 -7.0993 -7.0382 -6.7936 -6.7887 -6.6488 -6.6342 -6.5780 -6.5706 -2.5809 -2.5805 -0.2835 -0.2820 0.3613 0.3645 0.5023 0.5075 1.4913 1.5020 1.6669 1.7073 1.7136 1.7326 2.1139 2.1461 2.3686 2.3763 2.5126 2.5665 2.6557 2.6879 2.8925 2.9002 2.9698 2.9755 3.1916 3.2242 3.6393 3.6792 3.7719 3.8066 3.8701 3.9511 4.1008 4.1606 4.1868 4.2470 4.8699 4.8883 5.0758 5.0898 5.7492 5.7566 8.5566 8.5572 8.6656 8.6658 9.1659 9.1671 9.3738 9.3778 9.6974 9.7006 11.1546 11.1694 k =-0.0576 0.0500 0.6624 ( 6396 PWs) bands (ev): -23.4691 -23.4691 -9.6943 -9.6943 -7.3758 -7.3659 -7.2125 -7.1678 -7.1011 -7.0246 -6.8003 -6.7950 -6.6514 -6.6331 -6.5766 -6.5667 -2.5812 -2.5807 -0.2733 -0.2713 0.3639 0.3681 0.5047 0.5115 1.4849 1.4985 1.6617 1.7142 1.7164 1.7416 2.1024 2.1446 2.3668 2.3778 2.5044 2.5703 2.6536 2.6938 2.8920 2.9019 2.9696 2.9748 3.1810 3.2238 3.6208 3.6825 3.7467 3.7883 3.8454 3.9206 4.1076 4.1721 4.2092 4.2764 4.8468 4.8648 5.1160 5.1288 5.7413 5.7511 8.5550 8.5556 8.6679 8.6682 9.1716 9.1731 9.3593 9.3648 9.7075 9.7117 11.1273 11.1408 k =-0.0720 0.0625 0.6624 ( 6400 PWs) bands (ev): -23.4691 -23.4691 -9.6937 -9.6936 -7.3768 -7.3643 -7.2191 -7.1710 -7.0989 -7.0107 -6.8081 -6.8034 -6.6537 -6.6322 -6.5749 -6.5626 -2.5816 -2.5810 -0.2602 -0.2577 0.3673 0.3726 0.5080 0.5163 1.4776 1.4934 1.6574 1.7208 1.7211 1.7517 2.0894 2.1409 2.3647 2.3795 2.4968 2.5690 2.6554 2.7003 2.8915 2.9024 2.9712 2.9736 3.1695 3.2216 3.5950 3.6841 3.7194 3.7668 3.8266 3.8844 4.1183 4.1840 4.2301 4.3011 4.8291 4.8463 5.1573 5.1689 5.7314 5.7437 8.5527 8.5531 8.6708 8.6711 9.1789 9.1808 9.3431 9.3499 9.7201 9.7255 11.0946 11.1060 k =-0.0864 0.0750 0.6624 ( 6406 PWs) bands (ev): -23.4691 -23.4691 -9.6929 -9.6928 -7.3778 -7.3627 -7.2252 -7.1768 -7.0938 -6.9965 -6.8167 -6.8134 -6.6556 -6.6314 -6.5728 -6.5584 -2.5822 -2.5815 -0.2443 -0.2413 0.3716 0.3779 0.5122 0.5219 1.4694 1.4869 1.6540 1.7265 1.7279 1.7629 2.0750 2.1350 2.3620 2.3812 2.4899 2.5621 2.6613 2.7076 2.8906 2.9013 2.9717 2.9751 3.1572 3.2178 3.5625 3.6812 3.6903 3.7463 3.8145 3.8457 4.1303 4.1956 4.2469 4.3195 4.8179 4.8340 5.1996 5.2100 5.7196 5.7344 8.5494 8.5494 8.6743 8.6746 9.1881 9.1903 9.3263 9.3346 9.7350 9.7415 11.0566 11.0656 k =-0.1007 0.0876 0.6624 ( 6410 PWs) bands (ev): -23.4691 -23.4691 -9.6920 -9.6919 -7.3788 -7.3611 -7.2309 -7.1842 -7.0870 -6.9824 -6.8257 -6.8248 -6.6570 -6.6306 -6.5707 -6.5543 -2.5828 -2.5821 -0.2257 -0.2222 0.3767 0.3841 0.5174 0.5284 1.4604 1.4790 1.6518 1.7335 1.7349 1.7749 2.0593 2.1269 2.3585 2.3829 2.4838 2.5507 2.6701 2.7156 2.8893 2.8982 2.9691 2.9816 3.1447 3.2126 3.5249 3.6593 3.6681 3.7329 3.8065 3.8085 4.1425 4.2065 4.2573 4.3304 4.8141 4.8291 5.2428 5.2521 5.7060 5.7233 8.5441 8.5448 8.6783 8.6786 9.1990 9.2014 9.3105 9.3204 9.7518 9.7596 11.0135 11.0200 k =-0.1151 0.1001 0.6624 ( 6410 PWs) bands (ev): -23.4691 -23.4691 -9.6910 -9.6909 -7.3799 -7.3595 -7.2361 -7.1924 -7.0796 -6.9688 -6.8370 -6.8348 -6.6579 -6.6297 -6.5685 -6.5503 -2.5837 -2.5829 -0.2045 -0.2004 0.3827 0.3911 0.5235 0.5357 1.4508 1.4700 1.6508 1.7415 1.7420 1.7875 2.0425 2.1167 2.3541 2.3844 2.4786 2.5363 2.6804 2.7241 2.8873 2.8933 2.9659 2.9904 3.1323 3.2062 3.4840 3.6268 3.6436 3.7271 3.7691 3.8071 4.1541 4.2163 4.2603 4.3329 4.8181 4.8320 5.2868 5.2952 5.6905 5.7104 8.5368 8.5384 8.6829 8.6830 9.2117 9.2144 9.2973 9.3086 9.7705 9.7795 10.9657 10.9699 k =-0.1295 0.1126 0.6624 ( 6414 PWs) bands (ev): -23.4691 -23.4691 -9.6898 -9.6897 -7.3811 -7.3580 -7.2408 -7.2009 -7.0724 -6.9565 -6.8489 -6.8435 -6.6585 -6.6288 -6.5664 -6.5465 -2.5847 -2.5839 -0.1807 -0.1762 0.3895 0.3989 0.5305 0.5438 1.4405 1.4598 1.6511 1.7493 1.7504 1.8006 2.0246 2.1045 2.3485 2.3855 2.4744 2.5199 2.6912 2.7328 2.8847 2.8871 2.9619 3.0008 3.1208 3.1992 3.4413 3.5932 3.6128 3.7129 3.7452 3.8088 4.1649 4.2249 4.2560 4.3272 4.8295 4.8424 5.3316 5.3393 5.6733 5.6956 8.5269 8.5298 8.6880 8.6882 9.2263 9.2290 9.2880 9.3008 9.7906 9.8008 10.9137 10.9157 k =-0.1439 0.1251 0.6624 ( 6414 PWs) bands (ev): -23.4691 -23.4691 -9.6885 -9.6884 -7.3824 -7.3566 -7.2450 -7.2094 -7.0662 -6.9471 -6.8587 -6.8512 -6.6589 -6.6277 -6.5643 -6.5431 -2.5860 -2.5851 -0.1546 -0.1495 0.3970 0.4075 0.5384 0.5526 1.4297 1.4486 1.6528 1.7568 1.7600 1.8140 2.0059 2.0903 2.3416 2.3857 2.4715 2.5027 2.7016 2.7409 2.8799 2.8811 2.9575 3.0118 3.1109 3.1922 3.3980 3.5591 3.5790 3.6791 3.7434 3.8125 4.1745 4.2324 4.2453 4.3142 4.8472 4.8593 5.3771 5.3843 5.6545 5.6793 8.5141 8.5185 8.6937 8.6944 9.2426 9.2454 9.2839 9.2979 9.8119 9.8234 10.8580 10.8581 k =-0.1583 0.1376 0.6624 ( 6408 PWs) bands (ev): -23.4691 -23.4691 -9.6871 -9.6870 -7.3838 -7.3553 -7.2487 -7.2177 -7.0616 -6.9434 -6.8635 -6.8573 -6.6589 -6.6265 -6.5624 -6.5399 -2.5875 -2.5866 -0.1263 -0.1206 0.4053 0.4169 0.5472 0.5621 1.4183 1.4366 1.6559 1.7646 1.7701 1.8276 1.9866 2.0745 2.3333 2.3843 2.4700 2.4857 2.7113 2.7478 2.8721 2.8759 2.9532 3.0220 3.1035 3.1865 3.3549 3.5247 3.5438 3.6411 3.7469 3.8173 4.1819 4.2302 4.2387 4.2950 4.8698 4.8814 5.4232 5.4302 5.6341 5.6614 8.4982 8.5042 8.7004 8.7016 9.2607 9.2633 9.2860 9.3007 9.8343 9.8471 10.7972 10.7993 k =-0.1727 0.1501 0.6624 ( 6404 PWs) bands (ev): -23.4691 -23.4691 -9.6855 -9.6854 -7.3853 -7.3542 -7.2519 -7.2258 -7.0593 -6.9478 -6.8612 -6.8608 -6.6588 -6.6252 -6.5606 -6.5371 -2.5892 -2.5884 -0.0959 -0.0896 0.4144 0.4270 0.5567 0.5722 1.4065 1.4237 1.6604 1.7727 1.7804 1.8411 1.9671 2.0575 2.3237 2.3801 2.4697 2.4704 2.7197 2.7525 2.8639 2.8683 2.9497 3.0297 3.0993 3.1836 3.3125 3.4904 3.5081 3.6030 3.7513 3.8227 4.1824 4.2166 4.2438 4.2711 4.8961 4.9070 5.4700 5.4771 5.6123 5.6422 8.4791 8.4868 8.7083 8.7102 9.2806 9.2825 9.2950 9.3098 9.8575 9.8716 10.7341 10.7380 k =-0.1871 0.1626 0.6624 ( 6408 PWs) bands (ev): -23.4691 -23.4691 -9.6839 -9.6837 -7.3870 -7.3535 -7.2546 -7.2334 -7.0598 -6.9591 -6.8623 -6.8516 -6.6585 -6.6237 -6.5590 -6.5347 -2.5912 -2.5904 -0.0636 -0.0566 0.4241 0.4378 0.5670 0.5830 1.3942 1.4101 1.6663 1.7810 1.7906 1.8542 1.9477 2.0395 2.3127 2.3719 2.4582 2.4708 2.7268 2.7547 2.8556 2.8574 2.9478 3.0330 3.0990 3.1855 3.2713 3.4563 3.4723 3.5654 3.7557 3.8282 4.1676 4.2141 4.2422 4.2494 4.9245 4.9350 5.5172 5.5248 5.5893 5.6219 8.4572 8.4665 8.7177 8.7204 9.3021 9.3025 9.3114 9.3251 9.8813 9.8968 10.6690 10.6746 k =-0.2015 0.1751 0.6624 ( 6406 PWs) bands (ev): -23.4690 -23.4690 -9.6821 -9.6820 -7.3889 -7.3531 -7.2568 -7.2405 -7.0633 -6.9744 -6.8604 -6.8386 -6.6580 -6.6220 -6.5576 -6.5325 -2.5935 -2.5927 -0.0296 -0.0219 0.4345 0.4492 0.5779 0.5942 1.3816 1.3959 1.6735 1.7896 1.7999 1.8662 1.9292 2.0216 2.3006 2.3589 2.4502 2.4730 2.7323 2.7538 2.8429 2.8471 2.9479 3.0308 3.1029 3.1932 3.2316 3.4228 3.4367 3.5285 3.7597 3.8333 4.1427 4.2129 4.2186 4.2520 4.9542 4.9643 5.5636 5.5653 5.5734 5.6020 8.4330 8.4438 8.7290 8.7324 9.3247 9.3251 9.3333 9.3462 9.9057 9.9226 10.6027 10.6097 k =-0.2159 0.1876 0.6624 ( 6410 PWs) bands (ev): -23.4690 -23.4690 -9.6803 -9.6801 -7.3909 -7.3531 -7.2586 -7.2470 -7.0696 -6.9919 -6.8558 -6.8237 -6.6575 -6.6202 -6.5564 -6.5307 -2.5960 -2.5953 0.0059 0.0143 0.4456 0.4613 0.5893 0.6059 1.3686 1.3811 1.6821 1.7984 1.8072 1.8760 1.9128 2.0047 2.2876 2.3416 2.4458 2.4762 2.7363 2.7499 2.8253 2.8383 2.9494 3.0237 3.1110 3.1940 3.2063 3.3900 3.4017 3.4924 3.7632 3.8379 4.1141 4.1810 4.2242 4.2544 4.9843 4.9941 5.5409 5.5745 5.6173 5.6224 8.4072 8.4192 8.7422 8.7464 9.3495 9.3500 9.3593 9.3728 9.9304 9.9488 10.5357 10.5440 k =-0.2303 0.2001 0.6624 ( 6406 PWs) bands (ev): -23.4690 -23.4690 -9.6784 -9.6782 -7.3931 -7.3537 -7.2600 -7.2528 -7.0783 -7.0105 -6.8486 -6.8078 -6.6568 -6.6183 -6.5553 -6.5292 -2.5988 -2.5982 0.0428 0.0519 0.4572 0.4738 0.6012 0.6178 1.3553 1.3659 1.6918 1.8074 1.8103 1.8817 1.9010 1.9911 2.2740 2.3214 2.4439 2.4802 2.7387 2.7431 2.8053 2.8290 2.9514 3.0133 3.1219 3.1600 3.2234 3.3580 3.3678 3.4573 3.7660 3.8417 4.0838 4.1478 4.2295 4.2560 5.0142 5.0237 5.5160 5.5530 5.6648 5.6720 8.3805 8.3935 8.7576 8.7624 9.3751 9.3767 9.3900 9.4040 9.9555 9.9754 10.4687 10.4779 k =-0.2447 0.2126 0.6624 ( 6406 PWs) bands (ev): -23.4690 -23.4690 -9.6764 -9.6762 -7.3954 -7.3550 -7.2610 -7.2578 -7.0889 -7.0297 -6.8396 -6.7915 -6.6560 -6.6162 -6.5544 -6.5279 -2.6019 -2.6013 0.0808 0.0906 0.4693 0.4869 0.6134 0.6300 1.3418 1.3504 1.7026 1.8069 1.8163 1.8808 1.8962 1.9835 2.2600 2.2995 2.4434 2.4849 2.7336 2.7398 2.7843 2.8187 2.9533 3.0014 3.1166 3.1485 3.2418 3.3269 3.3361 3.4232 3.7682 3.8446 4.0529 4.1139 4.2338 4.2567 5.0435 5.0527 5.4910 5.5301 5.7137 5.7220 8.3534 8.3673 8.7753 8.7806 9.4015 9.4036 9.4256 9.4390 9.9807 10.0024 10.4021 10.4121 k =-0.2591 0.2251 0.6624 ( 6412 PWs) bands (ev): -23.4690 -23.4690 -9.6743 -9.6741 -7.3978 -7.3569 -7.2621 -7.2617 -7.1007 -7.0489 -6.8291 -6.7750 -6.6552 -6.6141 -6.5536 -6.5270 -2.6051 -2.6047 0.1196 0.1303 0.4819 0.5004 0.6257 0.6423 1.3281 1.3347 1.7141 1.7966 1.8249 1.8721 1.8987 1.9833 2.2460 2.2768 2.4435 2.4898 2.7209 2.7396 2.7634 2.8068 2.9546 2.9896 3.0878 3.1661 3.2552 3.2970 3.3122 3.3901 3.7695 3.8464 4.0219 4.0798 4.2369 4.2562 5.0718 5.0808 5.4665 5.5071 5.7629 5.7720 8.3267 8.3412 8.7954 8.8012 9.4285 9.4305 9.4651 9.4771 10.0062 10.0296 10.3369 10.3473 k =-0.2735 0.2376 0.6624 ( 6416 PWs) bands (ev): -23.4690 -23.4690 -9.6722 -9.6720 -7.4003 -7.3594 -7.2657 -7.2621 -7.1133 -7.0680 -6.8176 -6.7587 -6.6542 -6.6117 -6.5530 -6.5263 -2.6086 -2.6082 0.1592 0.1706 0.4949 0.5142 0.6381 0.6545 1.3143 1.3187 1.7258 1.7826 1.8317 1.8586 1.9064 1.9888 2.2322 2.2540 2.4439 2.4950 2.7049 2.7382 2.7442 2.7932 2.9552 2.9790 3.0587 3.1892 3.2462 3.2685 3.3128 3.3581 3.7699 3.8471 3.9915 4.0460 4.2382 4.2544 5.0988 5.1077 5.4428 5.4845 5.8120 5.8220 8.3007 8.3158 8.8181 8.8242 9.4555 9.4573 9.5071 9.5172 10.0317 10.0571 10.2739 10.2844 k =-0.2879 0.2502 0.6624 ( 6416 PWs) bands (ev): -23.4690 -23.4690 -9.6701 -9.6699 -7.4028 -7.3626 -7.2685 -7.2623 -7.1262 -7.0867 -6.8056 -6.7427 -6.6531 -6.6093 -6.5525 -6.5258 -2.6122 -2.6119 0.1991 0.2114 0.5082 0.5283 0.6502 0.6665 1.3005 1.3028 1.7350 1.7695 1.8277 1.8520 1.9169 1.9974 2.2190 2.2315 2.4442 2.4999 2.6857 2.7273 2.7351 2.7784 2.9550 2.9704 3.0316 3.2149 3.2200 3.2415 3.3266 3.3327 3.7692 3.8464 3.9621 4.0128 4.2376 4.2511 5.1245 5.1332 5.4202 5.4627 5.8607 5.8715 8.2760 8.2913 8.8435 8.8497 9.4820 9.4832 9.5507 9.5584 10.0568 10.0845 10.2146 10.2245 k =-0.3022 0.2627 0.6624 ( 6416 PWs) bands (ev): -23.4690 -23.4690 -9.6680 -9.6678 -7.4053 -7.3663 -7.2707 -7.2624 -7.1391 -7.1049 -6.7933 -6.7272 -6.6518 -6.6067 -6.5522 -6.5256 -2.6160 -2.6157 0.2393 0.2523 0.5218 0.5425 0.6620 0.6781 1.2867 1.2870 1.7325 1.7679 1.8094 1.8575 1.9288 2.0069 2.2069 2.2097 2.4443 2.5044 2.6643 2.7126 2.7284 2.7646 2.9538 2.9639 3.0071 3.1903 3.2155 3.2435 3.2974 3.3565 3.7673 3.8442 3.9345 3.9809 4.2346 4.2460 5.1486 5.1571 5.3993 5.4419 5.9089 5.9203 8.2528 8.2682 8.8717 8.8780 9.5071 9.5075 9.5946 9.5995 10.0793 10.1092 10.1624 10.1715 k =-0.3166 0.2752 0.6624 ( 6424 PWs) bands (ev): -23.4690 -23.4690 -9.6659 -9.6657 -7.4078 -7.3705 -7.2725 -7.2624 -7.1517 -7.1224 -6.7810 -6.7126 -6.6501 -6.6040 -6.5520 -6.5257 -2.6198 -2.6196 0.2793 0.2932 0.5355 0.5567 0.6732 0.6891 1.2713 1.2731 1.7182 1.7786 1.7877 1.8653 1.9413 2.0162 2.1890 2.1964 2.4440 2.5080 2.6423 2.6996 2.7151 2.7553 2.9510 2.9594 2.9859 3.1603 3.1920 3.2689 3.2727 3.3821 3.7638 3.8398 3.9094 3.9512 4.2291 4.2390 5.1712 5.1795 5.3802 5.4225 5.9562 5.9681 8.2314 8.2467 8.9028 8.9090 9.5292 9.5299 9.6376 9.6394 10.0811 10.1014 10.1371 10.1566 k =-0.3310 0.2877 0.6624 ( 6418 PWs) bands (ev): -23.4690 -23.4690 -9.6638 -9.6636 -7.4102 -7.3750 -7.2738 -7.2623 -7.1637 -7.1389 -6.7689 -6.6992 -6.6478 -6.6012 -6.5520 -6.5259 -2.6236 -2.6235 0.3190 0.3337 0.5493 0.5708 0.6837 0.6994 1.2561 1.2596 1.7011 1.7652 1.7927 1.8731 1.9540 2.0241 2.1697 2.1878 2.4435 2.5102 2.6205 2.6881 2.6955 2.7510 2.9444 2.9563 2.9704 3.1311 3.1704 3.2417 3.3032 3.4082 3.7583 3.8325 3.8875 3.9249 4.2208 4.2298 5.1921 5.2001 5.3633 5.4047 6.0022 6.0144 8.2119 8.2268 8.9368 8.9428 9.5468 9.5489 9.6770 9.6783 10.0477 10.0601 10.1547 10.1824 k =-0.3310 0.2877 0.6624 ( 6418 PWs) bands (ev): -23.4690 -23.4690 -9.6638 -9.6636 -7.4102 -7.3750 -7.2738 -7.2623 -7.1637 -7.1389 -6.7689 -6.6992 -6.6478 -6.6012 -6.5520 -6.5259 -2.6236 -2.6235 0.3190 0.3337 0.5493 0.5708 0.6837 0.6994 1.2561 1.2596 1.7011 1.7652 1.7927 1.8731 1.9540 2.0241 2.1697 2.1878 2.4435 2.5102 2.6205 2.6881 2.6955 2.7510 2.9444 2.9563 2.9704 3.1311 3.1704 3.2417 3.3032 3.4082 3.7583 3.8325 3.8875 3.9249 4.2208 4.2298 5.1921 5.2001 5.3633 5.4047 6.0022 6.0144 8.2119 8.2268 8.9368 8.9428 9.5468 9.5489 9.6770 9.6783 10.0477 10.0601 10.1547 10.1824 k =-0.3416 0.2969 0.6484 ( 6433 PWs) bands (ev): -23.4690 -23.4690 -9.6625 -9.6622 -7.4118 -7.3782 -7.2745 -7.2619 -7.1720 -7.1504 -6.7604 -6.6907 -6.6457 -6.5993 -6.5525 -6.5258 -2.6264 -2.6263 0.3473 0.3627 0.5589 0.5804 0.6904 0.7059 1.2452 1.2509 1.6885 1.7483 1.8031 1.8773 1.9645 2.0293 2.1571 2.1829 2.4432 2.5110 2.6057 2.6767 2.6835 2.7497 2.9345 2.9529 2.9679 3.1110 3.1562 3.2225 3.3252 3.4263 3.7532 3.8244 3.8748 3.9095 4.2135 4.2221 5.2038 5.2111 5.3551 5.3949 6.0333 6.0456 8.1991 8.2138 8.9651 8.9709 9.5463 9.5509 9.7089 9.7136 10.0207 10.0308 10.1777 10.2079 k =-0.3521 0.3060 0.6344 ( 6435 PWs) bands (ev): -23.4690 -23.4690 -9.6613 -9.6610 -7.4131 -7.3811 -7.2749 -7.2605 -7.1796 -7.1613 -6.7522 -6.6840 -6.6433 -6.5979 -6.5538 -6.5250 -2.6292 -2.6291 0.3738 0.3900 0.5673 0.5885 0.6958 0.7109 1.2355 1.2439 1.6764 1.7316 1.8119 1.8794 1.9772 2.0344 2.1462 2.1790 2.4436 2.5112 2.5928 2.6609 2.6777 2.7494 2.9238 2.9444 2.9743 3.0930 3.1440 3.2041 3.3455 3.4419 3.7480 3.8146 3.8648 3.8991 4.2062 4.2144 5.2091 5.2146 5.3540 5.3906 6.0599 6.0723 8.1883 8.2025 8.9975 9.0031 9.5307 9.5380 9.7456 9.7527 9.9951 10.0044 10.2078 10.2401 k =-0.3627 0.3152 0.6204 ( 6443 PWs) bands (ev): -23.4690 -23.4690 -9.6603 -9.6600 -7.4142 -7.3836 -7.2749 -7.2584 -7.1865 -7.1714 -6.7446 -6.6795 -6.6399 -6.5973 -6.5556 -6.5237 -2.6318 -2.6316 0.3980 0.4152 0.5746 0.5949 0.7001 0.7146 1.2273 1.2383 1.6654 1.7157 1.8188 1.8802 1.9907 2.0390 2.1371 2.1756 2.4447 2.5105 2.5819 2.6461 2.6734 2.7496 2.9144 2.9351 2.9830 3.0775 3.1338 3.1865 3.3637 3.4544 3.7428 3.8050 3.8563 3.8935 4.1992 4.2069 5.2087 5.2124 5.3586 5.3913 6.0819 6.0944 8.1792 8.1930 9.0331 9.0386 9.5072 9.5166 9.7798 9.7881 9.9718 9.9819 10.2438 10.2783 k =-0.3733 0.3244 0.6065 ( 6446 PWs) bands (ev): -23.4690 -23.4690 -9.6594 -9.6592 -7.4150 -7.3856 -7.2746 -7.2557 -7.1924 -7.1807 -6.7377 -6.6774 -6.6352 -6.5977 -6.5574 -6.5224 -2.6341 -2.6338 0.4192 0.4376 0.5808 0.5996 0.7034 0.7169 1.2205 1.2338 1.6558 1.7013 1.8239 1.8804 2.0040 2.0430 2.1298 2.1726 2.4465 2.5094 2.5729 2.6333 2.6703 2.7499 2.9070 2.9261 2.9926 3.0645 3.1257 3.1701 3.3794 3.4638 3.7381 3.7967 3.8491 3.8912 4.1929 4.1999 5.2043 5.2074 5.3661 5.3952 6.0996 6.1121 8.1719 8.1852 9.0707 9.0761 9.4792 9.4900 9.8082 9.8169 9.9518 9.9634 10.2836 10.3211 k =-0.3838 0.3336 0.5925 ( 6455 PWs) bands (ev): -23.4690 -23.4690 -9.6588 -9.6586 -7.4156 -7.3873 -7.2742 -7.2527 -7.1972 -7.1888 -6.7317 -6.6771 -6.6294 -6.5993 -6.5589 -6.5211 -2.6359 -2.6356 0.4367 0.4565 0.5858 0.6024 0.7060 0.7181 1.2152 1.2305 1.6482 1.6891 1.8274 1.8802 2.0161 2.0460 2.1242 2.1697 2.4489 2.5079 2.5657 2.6230 2.6682 2.7503 2.9018 2.9177 3.0024 3.0539 3.1201 3.1550 3.3923 3.4700 3.7343 3.7904 3.8434 3.8906 4.1878 4.1936 5.1985 5.2017 5.3740 5.4004 6.1131 6.1256 8.1663 8.1792 9.1082 9.1138 9.4490 9.4607 9.8299 9.8384 9.9359 9.9489 10.3241 10.3659 k =-0.3944 0.3427 0.5785 ( 6451 PWs) bands (ev): -23.4690 -23.4690 -9.6583 -9.6581 -7.4159 -7.3885 -7.2738 -7.2498 -7.2008 -7.1955 -6.7269 -6.6777 -6.6232 -6.6022 -6.5600 -6.5202 -2.6373 -2.6370 0.4498 0.4710 0.5898 0.6035 0.7079 0.7184 1.2115 1.2282 1.6427 1.6796 1.8296 1.8801 2.0261 2.0477 2.1203 2.1673 2.4514 2.5066 2.5602 2.6153 2.6670 2.7506 2.8988 2.9105 3.0118 3.0453 3.1173 3.1419 3.4020 3.4735 3.7316 3.7861 3.8394 3.8907 4.1842 4.1885 5.1933 5.1967 5.3806 5.4051 6.1226 6.1350 8.1623 8.1749 9.1429 9.1485 9.4198 9.4319 9.8450 9.8532 9.9244 9.9385 10.3609 10.4083 k =-0.4050 0.3519 0.5645 ( 6450 PWs) bands (ev): -23.4690 -23.4690 -9.6581 -9.6579 -7.4162 -7.3892 -7.2734 -7.2475 -7.2027 -7.2003 -6.7237 -6.6786 -6.6170 -6.6062 -6.5606 -6.5195 -2.6381 -2.6378 0.4580 0.4802 0.5926 0.6035 0.7092 0.7183 1.2093 1.2269 1.6395 1.6736 1.8308 1.8799 2.0332 2.0483 2.1181 2.1655 2.4533 2.5056 2.5568 2.6106 2.6664 2.7508 2.8979 2.9051 3.0202 3.0381 3.1174 3.1316 3.4081 3.4751 3.7300 3.7837 3.8371 3.8910 4.1824 4.1848 5.1899 5.1933 5.3849 5.4083 6.1282 6.1406 8.1599 8.1723 9.1694 9.1750 9.3968 9.4089 9.8538 9.8618 9.9174 9.9322 10.3879 10.4409 k =-0.4155 0.3611 0.5505 ( 6442 PWs) bands (ev): -23.4690 -23.4690 -9.6580 -9.6578 -7.4162 -7.3895 -7.2733 -7.2467 -7.2027 -7.2026 -6.7226 -6.6790 -6.6115 -6.6110 -6.5608 -6.5193 -2.6384 -2.6381 0.4608 0.4834 0.5938 0.6032 0.7097 0.7181 1.2085 1.2265 1.6384 1.6716 1.8312 1.8799 2.0359 2.0482 2.1173 2.1649 2.4540 2.5053 2.5556 2.6090 2.6662 2.7509 2.8981 2.9027 3.0250 3.0339 3.1188 3.1267 3.4102 3.4756 3.7295 3.7829 3.8363 3.8912 4.1820 4.1833 5.1888 5.1921 5.3864 5.4094 6.1301 6.1425 8.1591 8.1714 9.1799 9.1853 9.3876 9.3996 9.8567 9.8646 9.9151 9.9301 10.3982 10.4538 k =-0.4155 0.3611 0.5505 ( 6442 PWs) bands (ev): -23.4690 -23.4690 -9.6580 -9.6578 -7.4162 -7.3895 -7.2733 -7.2467 -7.2027 -7.2026 -6.7226 -6.6790 -6.6115 -6.6110 -6.5608 -6.5193 -2.6384 -2.6381 0.4608 0.4834 0.5938 0.6032 0.7097 0.7181 1.2085 1.2265 1.6384 1.6716 1.8312 1.8799 2.0359 2.0482 2.1173 2.1649 2.4540 2.5053 2.5556 2.6090 2.6662 2.7509 2.8981 2.9027 3.0250 3.0339 3.1188 3.1267 3.4102 3.4756 3.7295 3.7829 3.8363 3.8912 4.1820 4.1833 5.1888 5.1921 5.3864 5.4094 6.1301 6.1425 8.1591 8.1714 9.1799 9.1853 9.3876 9.3996 9.8567 9.8646 9.9151 9.9301 10.3982 10.4538 k =-0.4051 0.3521 0.5367 ( 6444 PWs) bands (ev): -23.4690 -23.4690 -9.6601 -9.6599 -7.4137 -7.3834 -7.2700 -7.2396 -7.1965 -7.1962 -6.7300 -6.6846 -6.6199 -6.6188 -6.5608 -6.5160 -2.6361 -2.6357 0.4290 0.4511 0.5782 0.5877 0.7017 0.7095 1.2227 1.2429 1.6490 1.6836 1.8122 1.8691 2.0456 2.0523 2.1258 2.1616 2.4571 2.5125 2.5745 2.6295 2.6730 2.7525 2.8942 2.9171 3.0448 3.0479 3.1295 3.1434 3.3777 3.4491 3.7437 3.7983 3.8482 3.9041 4.2031 4.2049 5.1596 5.1634 5.4055 5.4304 6.0826 6.0955 8.1720 8.1852 9.1612 9.1669 9.3551 9.3657 9.8619 9.8698 9.9081 9.9231 10.4000 10.4593 k =-0.3947 0.3430 0.5230 ( 6440 PWs) bands (ev): -23.4690 -23.4690 -9.6624 -9.6622 -7.4106 -7.3768 -7.2663 -7.2318 -7.1896 -7.1890 -6.7377 -6.6915 -6.6293 -6.6262 -6.5606 -6.5130 -2.6340 -2.6335 0.3970 0.4186 0.5617 0.5710 0.6916 0.6988 1.2383 1.2608 1.6597 1.6949 1.7923 1.8573 2.0550 2.0558 2.1384 2.1597 2.4597 2.5187 2.5952 2.6457 2.6867 2.7544 2.8901 2.9332 3.0581 3.0713 3.1394 3.1623 3.3464 3.4222 3.7582 3.8067 3.8686 3.9195 4.2218 4.2265 5.1283 5.1327 5.4260 5.4525 6.0306 6.0439 8.1868 8.2008 9.1487 9.1546 9.3157 9.3239 9.8624 9.8704 9.9061 9.9194 10.4069 10.4703 k =-0.3844 0.3340 0.5092 ( 6436 PWs) bands (ev): -23.4690 -23.4690 -9.6650 -9.6648 -7.4073 -7.3698 -7.2621 -7.2235 -7.1820 -7.1811 -6.7457 -6.6996 -6.6393 -6.6338 -6.5601 -6.5102 -2.6323 -2.6317 0.3651 0.3860 0.5443 0.5534 0.6797 0.6864 1.2550 1.2800 1.6702 1.7051 1.7721 1.8451 2.0567 2.0657 2.1546 2.1604 2.4615 2.5238 2.6169 2.6570 2.7071 2.7571 2.8863 2.9507 3.0741 3.0947 3.1478 3.1832 3.3174 3.3958 3.7723 3.8115 3.8937 3.9374 4.2391 4.2466 5.0952 5.1002 5.4476 5.4753 5.9749 5.9881 8.2036 8.2182 9.1423 9.1481 9.2709 9.2759 9.8590 9.8672 9.9079 9.9182 10.4185 10.4866 k =-0.3740 0.3250 0.4954 ( 6428 PWs) bands (ev): -23.4690 -23.4690 -9.6678 -9.6676 -7.4035 -7.3624 -7.2575 -7.2145 -7.1738 -7.1725 -6.7539 -6.7088 -6.6498 -6.6416 -6.5595 -6.5076 -2.6312 -2.6305 0.3336 0.3537 0.5264 0.5350 0.6661 0.6722 1.2729 1.3002 1.6806 1.7138 1.7521 1.8332 2.0578 2.0742 2.1647 2.1737 2.4625 2.5279 2.6389 2.6662 2.7306 2.7606 2.8829 2.9693 3.0929 3.1175 3.1535 3.2053 3.2924 3.3712 3.7860 3.8154 3.9203 3.9575 4.2550 4.2650 5.0606 5.0662 5.4696 5.4983 5.9159 5.9288 8.2225 8.2376 9.1416 9.1473 9.2226 9.2241 9.8525 9.8610 9.9114 9.9177 10.4348 10.5078 k =-0.3636 0.3160 0.4817 ( 6420 PWs) bands (ev): -23.4690 -23.4690 -9.6708 -9.6706 -7.3994 -7.3545 -7.2525 -7.2049 -7.1649 -7.1631 -6.7624 -6.7189 -6.6606 -6.6496 -6.5587 -6.5053 -2.6307 -2.6299 0.3027 0.3219 0.5080 0.5161 0.6509 0.6566 1.2916 1.3213 1.6905 1.7204 1.7327 1.8225 2.0588 2.0805 2.1735 2.1953 2.4627 2.5310 2.6604 2.6750 2.7544 2.7652 2.8802 2.9892 3.1135 3.1394 3.1556 3.2268 3.2737 3.3504 3.7993 3.8198 3.9470 3.9792 4.2693 4.2817 5.0247 5.0310 5.4916 5.5211 5.8544 5.8666 8.2435 8.2588 9.1464 9.1517 9.1707 9.1728 9.8437 9.8525 9.9140 9.9160 10.4557 10.5339 k =-0.3532 0.3069 0.4679 ( 6408 PWs) bands (ev): -23.4690 -23.4690 -9.6741 -9.6738 -7.3950 -7.3463 -7.2472 -7.1947 -7.1553 -7.1530 -6.7712 -6.7298 -6.6716 -6.6577 -6.5578 -6.5033 -2.6310 -2.6301 0.2727 0.2910 0.4893 0.4969 0.6344 0.6396 1.3111 1.3430 1.6996 1.7150 1.7239 1.8144 2.0598 2.0843 2.1871 2.2190 2.4621 2.5330 2.6806 2.6839 2.7709 2.7770 2.8785 3.0103 3.1297 3.1579 3.1598 3.2437 3.2634 3.3383 3.8125 3.8254 3.9725 4.0019 4.2821 4.2966 4.9880 4.9950 5.5131 5.5431 5.7912 5.8024 8.2666 8.2820 9.1176 9.1226 9.1561 9.1614 9.8331 9.8423 9.9112 9.9134 10.4813 10.5647 k =-0.3428 0.2979 0.4542 ( 6390 PWs) bands (ev): -23.4690 -23.4690 -9.6775 -9.6772 -7.3903 -7.3378 -7.2416 -7.1839 -7.1452 -7.1423 -6.7802 -6.7414 -6.6828 -6.6659 -6.5570 -6.5016 -2.6324 -2.6313 0.2438 0.2610 0.4706 0.4775 0.6166 0.6214 1.3310 1.3649 1.6957 1.7114 1.7234 1.8100 2.0611 2.0861 2.2050 2.2445 2.4608 2.5338 2.6929 2.6987 2.7778 2.7975 2.8779 3.0326 3.1264 3.1756 3.1775 3.2499 3.2620 3.3420 3.8260 3.8327 3.9962 4.0249 4.2934 4.3098 4.9506 4.9585 5.5333 5.5637 5.7273 5.7371 8.2919 8.3072 9.0665 9.0745 9.1701 9.1750 9.8213 9.8310 9.9015 9.9074 10.5117 10.6000 k =-0.3324 0.2889 0.4404 ( 6382 PWs) bands (ev): -23.4690 -23.4690 -9.6811 -9.6808 -7.3854 -7.3290 -7.2357 -7.1726 -7.1345 -7.1308 -6.7894 -6.7535 -6.6941 -6.6743 -6.5561 -6.5001 -2.6347 -2.6336 0.2161 0.2323 0.4519 0.4582 0.5977 0.6021 1.3511 1.3863 1.6814 1.7189 1.7200 1.8098 2.0627 2.0867 2.2263 2.2715 2.4589 2.5336 2.7019 2.7140 2.7855 2.8152 2.8789 3.0558 3.1126 3.1896 3.2011 3.2482 3.2678 3.3613 3.8403 3.8422 4.0173 4.0475 4.3033 4.3212 4.9128 4.9216 5.5518 5.5824 5.6636 5.6715 8.3192 8.3342 9.0190 9.0295 9.1879 9.1922 9.8088 9.8191 9.8853 9.8940 10.5468 10.6394 k =-0.3220 0.2798 0.4266 ( 6382 PWs) bands (ev): -23.4690 -23.4690 -9.6849 -9.6846 -7.3803 -7.3199 -7.2295 -7.1608 -7.1232 -7.1187 -6.7987 -6.7661 -6.7053 -6.6829 -6.5553 -6.4989 -2.6383 -2.6370 0.1897 0.2050 0.4334 0.4390 0.5779 0.5819 1.3711 1.4066 1.6694 1.7113 1.7289 1.8130 2.0647 2.0865 2.2506 2.2998 2.4563 2.5321 2.7106 2.7263 2.7935 2.8298 2.8819 3.0780 3.0985 3.1914 3.2261 3.2503 3.2805 3.3893 3.8544 3.8558 4.0350 4.0689 4.3117 4.3309 4.8752 4.8848 5.5678 5.5980 5.6016 5.6069 8.3485 8.3631 8.9761 8.9888 9.2087 9.2125 9.7963 9.8070 9.8616 9.8722 10.5864 10.6826 k =-0.3116 0.2708 0.4129 ( 6386 PWs) bands (ev): -23.4690 -23.4690 -9.6889 -9.6886 -7.3749 -7.3106 -7.2232 -7.1485 -7.1113 -7.1060 -6.8082 -6.7789 -6.7164 -6.6915 -6.5545 -6.4980 -2.6431 -2.6417 0.1649 0.1791 0.4153 0.4202 0.5572 0.5609 1.3907 1.4248 1.6610 1.7022 1.7377 1.8186 2.0671 2.0860 2.2772 2.3293 2.4532 2.5296 2.7187 2.7355 2.8007 2.8410 2.8873 3.0783 3.1076 3.1841 3.2466 3.2591 3.3012 3.4215 3.8697 3.8729 4.0486 4.0884 4.3188 4.3390 4.8379 4.8483 5.5408 5.5433 5.5815 5.6118 8.3798 8.3937 8.9390 8.9533 9.2318 9.2349 9.7841 9.7949 9.8300 9.8411 10.6299 10.7288 k =-0.3012 0.2618 0.3991 ( 6400 PWs) bands (ev): -23.4691 -23.4691 -9.6930 -9.6927 -7.3694 -7.3011 -7.2167 -7.1358 -7.0989 -7.0927 -6.8178 -6.7919 -6.7273 -6.7002 -6.5539 -6.4975 -2.6492 -2.6478 0.1418 0.1549 0.3976 0.4019 0.5360 0.5393 1.4096 1.4396 1.6574 1.6927 1.7465 1.8257 2.0700 2.0856 2.3057 2.3596 2.4495 2.5261 2.7258 2.7418 2.8062 2.8487 2.8955 3.0671 3.1303 3.1738 3.2619 3.2700 3.3296 3.4562 3.8884 3.8918 4.0574 4.1056 4.3247 4.3455 4.8015 4.8126 5.4832 5.4837 5.5911 5.6214 8.4129 8.4259 8.9085 8.9239 9.2562 9.2588 9.7729 9.7797 9.7941 9.8008 10.6764 10.7773 k =-0.2909 0.2528 0.3853 ( 6388 PWs) bands (ev): -23.4691 -23.4691 -9.6973 -9.6970 -7.3637 -7.2915 -7.2101 -7.1227 -7.0861 -7.0788 -6.8273 -6.8050 -6.7380 -6.7090 -6.5535 -6.4972 -2.6567 -2.6551 0.1204 0.1325 0.3804 0.3841 0.5142 0.5172 1.4272 1.4499 1.6595 1.6840 1.7553 1.8337 2.0733 2.0853 2.3358 2.3906 2.4456 2.5216 2.7319 2.7458 2.8091 2.8528 2.9067 3.0590 3.1522 3.1640 3.2740 3.2799 3.3631 3.4929 3.9104 3.9125 4.0607 4.1199 4.3294 4.3506 4.7665 4.7780 5.4268 5.4309 5.5968 5.6271 8.4476 8.4593 8.8854 8.9013 9.2810 9.2831 9.7373 9.7507 9.7644 9.7785 10.7249 10.8272 k =-0.2805 0.2437 0.3716 ( 6392 PWs) bands (ev): -23.4691 -23.4691 -9.7017 -9.7014 -7.3579 -7.2818 -7.2035 -7.1094 -7.0728 -7.0645 -6.8368 -6.8180 -6.7482 -6.7178 -6.5533 -6.4973 -2.6656 -2.6639 0.1008 0.1119 0.3640 0.3671 0.4921 0.4948 1.4429 1.4552 1.6679 1.6769 1.7642 1.8422 2.0771 2.0852 2.3665 2.4217 2.4417 2.5163 2.7366 2.7476 2.8090 2.8535 2.9204 3.0551 3.1562 3.1717 3.2845 3.2875 3.4001 3.5313 3.9344 3.9354 4.0583 4.1312 4.3330 4.3543 4.7335 4.7451 5.3751 5.3830 5.5981 5.6284 8.4836 8.4937 8.8703 8.8860 9.3051 9.3069 9.6807 9.6933 9.7573 9.7714 10.7743 10.8774 k =-0.2701 0.2347 0.3578 ( 6400 PWs) bands (ev): -23.4691 -23.4691 -9.7062 -9.7059 -7.3520 -7.2721 -7.1969 -7.0958 -7.0591 -7.0497 -6.8462 -6.8307 -6.7580 -6.7266 -6.5532 -6.4977 -2.6759 -2.6741 0.0831 0.0932 0.3482 0.3508 0.4697 0.4722 1.4557 1.4562 1.6720 1.6820 1.7732 1.8511 2.0813 2.0856 2.3957 2.4401 2.4520 2.5107 2.7396 2.7476 2.8061 2.8513 2.9366 3.0554 3.1507 3.1882 3.2921 3.2940 3.4402 3.5715 3.9565 3.9612 4.0518 4.1399 4.3355 4.3568 4.7030 4.7143 5.3289 5.3409 5.5949 5.6251 8.5205 8.5287 8.8636 8.8784 9.3274 9.3292 9.6166 9.6282 9.7538 9.7679 10.8234 10.9269 k =-0.2597 0.2257 0.3441 ( 6406 PWs) bands (ev): -23.4691 -23.4691 -9.7108 -9.7106 -7.3461 -7.2625 -7.1903 -7.0820 -7.0452 -7.0345 -6.8553 -6.8431 -6.7674 -6.7355 -6.5534 -6.4985 -2.6875 -2.6857 0.0674 0.0764 0.3333 0.3353 0.4473 0.4495 1.4525 1.4665 1.6700 1.7008 1.7824 1.8601 2.0859 2.0864 2.4130 2.4505 2.4781 2.5081 2.7407 2.7461 2.8005 2.8472 2.9550 3.0593 3.1474 3.2014 3.2937 3.3028 3.4835 3.6135 3.9765 3.9797 4.0484 4.1473 4.3372 4.3582 4.6753 4.6861 5.2888 5.3048 5.5868 5.6171 8.5579 8.5637 8.8656 8.8788 9.3470 9.3490 9.5462 9.5569 9.7545 9.7683 10.8709 10.9742 k =-0.2493 0.2167 0.3303 ( 6404 PWs) bands (ev): -23.4691 -23.4691 -9.7154 -9.7152 -7.3401 -7.2530 -7.1839 -7.0681 -7.0312 -7.0190 -6.8641 -6.8549 -6.7761 -6.7442 -6.5539 -6.4996 -2.7004 -2.6985 0.0537 0.0617 0.3192 0.3207 0.4249 0.4269 1.4468 1.4734 1.6714 1.7228 1.7918 1.8691 2.0878 2.0909 2.4129 2.4780 2.4849 2.5231 2.7401 2.7433 2.7926 2.8418 2.9753 3.0663 3.1456 3.2111 3.2929 3.3112 3.5299 3.6575 3.9745 3.9911 4.0645 4.1562 4.3380 4.3585 4.6508 4.6609 5.2553 5.2751 5.5738 5.6041 8.5952 8.5981 8.8764 8.8869 9.3628 9.3656 9.4711 9.4808 9.7599 9.7730 10.9153 11.0180 k =-0.2389 0.2076 0.3165 ( 6420 PWs) bands (ev): -23.4691 -23.4691 -9.7201 -9.7200 -7.3341 -7.2437 -7.1776 -7.0543 -7.0172 -7.0034 -6.8724 -6.8659 -6.7841 -6.7529 -6.5546 -6.5011 -2.7146 -2.7127 0.0419 0.0489 0.3060 0.3070 0.4027 0.4045 1.4393 1.4766 1.6763 1.7469 1.8015 1.8779 2.0898 2.0961 2.4074 2.4782 2.5102 2.5493 2.7375 2.7391 2.7827 2.8361 2.9973 3.0753 3.1444 3.2174 3.2907 3.3198 3.5792 3.7036 3.9490 3.9965 4.0966 4.1701 4.3382 4.3580 4.6296 4.6391 5.2283 5.2515 5.5559 5.5864 8.6312 8.6314 8.8954 8.9025 9.3746 9.3785 9.3933 9.4017 9.7702 9.7821 10.9553 11.0571 k =-0.2285 0.1986 0.3028 ( 6412 PWs) bands (ev): -23.4691 -23.4691 -9.7249 -9.7247 -7.3281 -7.2347 -7.1716 -7.0407 -7.0036 -6.9879 -6.8800 -6.8758 -6.7915 -6.7615 -6.5556 -6.5030 -2.7300 -2.7280 0.0322 0.0382 0.2936 0.2943 0.3808 0.3824 1.4309 1.4765 1.6846 1.7724 1.8116 1.8863 2.0925 2.1016 2.4004 2.4687 2.5425 2.5757 2.7334 2.7339 2.7714 2.8306 3.0204 3.0858 3.1430 3.2201 3.2887 3.3296 3.6311 3.7519 3.9139 3.9908 4.1344 4.1907 4.3378 4.3568 4.6114 4.6208 5.2077 5.2340 5.5333 5.5639 8.6620 8.6653 8.9216 8.9243 9.3157 9.3223 9.3822 9.3876 9.7850 9.7954 10.9898 11.0900 k =-0.2181 0.1896 0.2890 ( 6419 PWs) bands (ev): -23.4691 -23.4691 -9.7296 -9.7295 -7.3222 -7.2261 -7.1657 -7.0274 -6.9907 -6.9727 -6.8865 -6.8839 -6.7979 -6.7698 -6.5570 -6.5052 -2.7463 -2.7443 0.0244 0.0294 0.2822 0.2824 0.3593 0.3607 1.4220 1.4736 1.6955 1.7982 1.8223 1.8943 2.0960 2.1073 2.3926 2.4579 2.5731 2.6000 2.7274 2.7280 2.7593 2.8257 3.0425 3.0968 3.1412 3.2193 3.2890 3.3415 3.6850 3.8024 3.8743 3.9752 4.1739 4.2167 4.3372 4.3549 4.5963 4.6060 5.1933 5.2219 5.5062 5.5370 8.6883 8.6943 8.9503 8.9531 9.2433 9.2467 9.3863 9.3933 9.8035 9.8122 11.0174 11.1157 k =-0.2078 0.1805 0.2752 ( 6423 PWs) bands (ev): -23.4692 -23.4692 -9.7343 -9.7342 -7.3163 -7.2181 -7.1600 -7.0149 -6.9793 -6.9586 -6.8915 -6.8894 -6.8035 -6.7779 -6.5586 -6.5079 -2.7636 -2.7616 0.0185 0.0225 0.2714 0.2716 0.3383 0.3397 1.4130 1.4686 1.7086 1.8225 1.8351 1.9015 2.1003 2.1129 2.3843 2.4463 2.6005 2.6210 2.7198 2.7218 2.7472 2.8219 3.0588 3.1077 3.1424 3.2151 3.2936 3.3564 3.7379 3.8351 3.8549 3.9526 4.2131 4.2458 4.3366 4.3524 4.5843 4.5951 5.1843 5.2146 5.4748 5.5058 8.7060 8.7134 8.9757 8.9857 9.1837 9.1860 9.3876 9.3963 9.8247 9.8317 11.0375 11.1333 k =-0.1974 0.1715 0.2615 ( 6423 PWs) bands (ev): -23.4692 -23.4692 -9.7390 -9.7389 -7.3105 -7.2108 -7.1543 -7.0037 -6.9698 -6.9470 -6.8936 -6.8913 -6.8080 -6.7855 -6.5606 -6.5110 -2.7816 -2.7796 0.0145 0.0175 0.2613 0.2619 0.3181 0.3195 1.4040 1.4620 1.7232 1.8391 1.8559 1.9080 2.1055 2.1185 2.3757 2.4340 2.6230 2.6376 2.7109 2.7155 2.7363 2.8198 3.0614 3.1177 3.1532 3.2080 3.3041 3.3749 3.7624 3.8255 3.9063 3.9288 4.2498 4.2752 4.3368 4.3494 4.5758 4.5882 5.1801 5.2116 5.4395 5.4706 8.7068 8.7131 8.9940 9.0105 9.1501 9.1597 9.3870 9.3973 9.8474 9.8527 11.0494 11.1425 k =-0.1870 0.1625 0.2477 ( 6431 PWs) bands (ev): -23.4692 -23.4692 -9.7437 -9.7436 -7.3048 -7.2045 -7.1485 -6.9950 -6.9623 -6.9399 -6.8907 -6.8887 -6.8114 -6.7926 -6.5629 -6.5145 -2.8002 -2.7983 0.0122 0.0143 0.2519 0.2530 0.2986 0.3001 1.3952 1.4544 1.7389 1.8510 1.8814 1.9135 2.1117 2.1238 2.3668 2.4212 2.6384 2.6475 2.7010 2.7098 2.7285 2.8200 3.0490 3.1256 3.1740 3.1990 3.3215 3.3977 3.7307 3.8748 3.8930 3.9691 4.2810 4.3027 4.3395 4.3460 4.5715 4.5861 5.1799 5.2121 5.4006 5.4318 8.6809 8.6833 9.0080 9.0229 9.1605 9.1717 9.3854 9.3971 9.8707 9.8744 11.0532 11.1430 k =-0.1766 0.1535 0.2340 ( 6443 PWs) bands (ev): -23.4692 -23.4692 -9.7482 -9.7481 -7.2991 -7.1992 -7.1426 -6.9904 -6.9553 -6.9384 -6.8822 -6.8820 -6.8136 -6.7988 -6.5656 -6.5184 -2.8193 -2.8174 0.0115 0.0126 0.2431 0.2450 0.2802 0.2820 1.3867 1.4460 1.7554 1.8622 1.9073 1.9179 2.1187 2.1288 2.3577 2.4080 2.6452 2.6479 2.6913 2.7053 2.7255 2.8232 3.0277 3.1290 3.1903 3.1984 3.3466 3.4249 3.6915 3.8622 3.9351 4.0277 4.3019 4.3259 4.3428 4.3481 4.5725 4.5895 5.1830 5.2154 5.3585 5.3898 8.6241 8.6261 9.0306 9.0391 9.2005 9.2090 9.3835 9.3964 9.8935 9.8957 11.0491 11.1355 k =-0.1662 0.1444 0.2202 ( 6449 PWs) bands (ev): -23.4692 -23.4692 -9.7526 -9.7525 -7.2937 -7.1953 -7.1362 -6.9900 -6.9476 -6.9405 -6.8722 -6.8698 -6.8145 -6.8039 -6.5687 -6.5227 -2.8386 -2.8368 0.0122 0.0124 0.2348 0.2377 0.2628 0.2653 1.3785 1.4372 1.7725 1.8733 1.9212 1.9330 2.1266 2.1331 2.3486 2.3945 2.6389 2.6434 2.6817 2.7018 2.7277 2.8290 3.0020 3.1240 3.1859 3.2221 3.3798 3.4568 3.6548 3.8308 3.9973 4.0886 4.3116 4.3353 4.3480 4.3623 4.5799 4.5989 5.1886 5.2209 5.3136 5.3448 8.5452 8.5502 9.0646 9.0681 9.2529 9.2587 9.3819 9.3959 9.9151 9.9159 11.0378 11.1206 k =-0.1558 0.1354 0.2064 ( 6443 PWs) bands (ev): -23.4692 -23.4692 -9.7569 -9.7569 -7.2883 -7.1927 -7.1295 -6.9927 -6.9445 -6.9398 -6.8610 -6.8557 -6.8142 -6.8073 -6.5720 -6.5275 -2.8580 -2.8563 0.0135 0.0142 0.2265 0.2311 0.2468 0.2506 1.3708 1.4281 1.7900 1.8844 1.9234 1.9582 2.1352 2.1366 2.3395 2.3807 2.6237 2.6352 2.6716 2.6983 2.7328 2.8361 2.9744 3.1088 3.1878 3.2434 3.4206 3.4932 3.6224 3.7999 4.0590 4.1510 4.3168 4.3317 4.3600 4.3754 4.5946 4.6144 5.1956 5.2280 5.2668 5.2973 8.4555 8.4624 9.1068 9.1073 9.3108 9.3145 9.3814 9.3960 9.9345 9.9348 11.0203 11.0995 k =-0.1454 0.1264 0.1927 ( 6443 PWs) bands (ev): -23.4692 -23.4692 -9.7611 -9.7610 -7.2832 -7.1913 -7.1222 -6.9969 -6.9494 -6.9330 -6.8493 -6.8411 -6.8126 -6.8083 -6.5758 -6.5327 -2.8773 -2.8756 0.0156 0.0171 0.2178 0.2249 0.2324 0.2384 1.3636 1.4190 1.8077 1.8952 1.9244 1.9828 2.1389 2.1445 2.3305 2.3669 2.6054 2.6226 2.6607 2.6941 2.7387 2.8433 2.9464 3.0861 3.1939 3.2622 3.4675 3.5341 3.5954 3.7702 4.1177 4.2145 4.3233 4.3271 4.3676 4.3841 4.6157 4.6351 5.1985 5.2232 5.2360 5.2477 8.3603 8.3684 9.1529 9.1543 9.3667 9.3725 9.3874 9.3984 9.9509 9.9523 10.9976 11.0733 k =-0.1350 0.1174 0.1789 ( 6431 PWs) bands (ev): -23.4692 -23.4692 -9.7650 -9.7650 -7.2781 -7.1910 -7.1146 -7.0016 -6.9546 -6.9281 -6.8382 -6.8265 -6.8096 -6.8061 -6.5798 -6.5383 -2.8963 -2.8947 0.0184 0.0206 0.2085 0.2172 0.2218 0.2292 1.3569 1.4100 1.8256 1.9059 1.9243 2.0065 2.1398 2.1540 2.3218 2.3531 2.5857 2.6069 2.6492 2.6893 2.7442 2.8493 2.9194 3.0585 3.2019 3.2788 3.5193 3.5737 3.5791 3.7420 4.1686 4.2780 4.3231 4.3359 4.3709 4.3893 4.6415 4.6596 5.1605 5.1954 5.2194 5.2453 8.2629 8.2716 9.2027 9.2052 9.3794 9.3960 9.4385 9.4396 9.9649 9.9672 10.9709 11.0433 k =-0.1247 0.1083 0.1651 ( 6427 PWs) bands (ev): -23.4692 -23.4692 -9.7688 -9.7687 -7.2733 -7.1917 -7.1067 -7.0065 -6.9600 -6.9255 -6.8281 -6.8131 -6.8047 -6.8004 -6.5842 -6.5444 -2.9148 -2.9133 0.0215 0.0244 0.1992 0.2068 0.2164 0.2223 1.3507 1.4011 1.8437 1.9161 1.9231 2.0294 2.1388 2.1635 2.3138 2.3395 2.5657 2.5890 2.6371 2.6843 2.7489 2.8534 2.8942 3.0280 3.2110 3.2937 3.5572 3.5744 3.6278 3.7159 4.2055 4.3135 4.3473 4.3565 4.3712 4.3967 4.6700 4.6863 5.1083 5.1420 5.2287 5.2544 8.1651 8.1742 9.2548 9.2580 9.3830 9.3998 9.5005 9.5034 9.9763 9.9792 10.9414 11.0106 k =-0.1143 0.0993 0.1514 ( 6431 PWs) bands (ev): -23.4692 -23.4692 -9.7723 -9.7723 -7.2687 -7.1932 -7.0986 -7.0111 -6.9655 -6.9255 -6.8188 -6.8040 -6.7950 -6.7918 -6.5889 -6.5508 -2.9326 -2.9312 0.0247 0.0281 0.1910 0.1977 0.2122 0.2171 1.3451 1.3924 1.8617 1.9211 1.9257 2.0511 2.1359 2.1725 2.3068 2.3262 2.5464 2.5695 2.6248 2.6792 2.7527 2.8553 2.8713 2.9957 3.2207 3.3069 3.5454 3.6304 3.6797 3.6933 4.2261 4.3100 4.3694 4.3700 4.4102 4.4244 4.6995 4.7139 5.0538 5.0870 5.2388 5.2634 8.0685 8.0777 9.3082 9.3120 9.3876 9.4041 9.5630 9.5676 9.9849 9.9884 10.9102 10.9763 k =-0.1039 0.0903 0.1376 ( 6427 PWs) bands (ev): -23.4692 -23.4692 -9.7756 -9.7756 -7.2642 -7.1953 -7.0902 -7.0152 -6.9710 -6.9277 -6.8096 -6.7978 -6.7823 -6.7815 -6.5939 -6.5577 -2.9495 -2.9482 0.0275 0.0313 0.1846 0.1906 0.2087 0.2129 1.3401 1.3840 1.8797 1.9184 1.9344 2.0713 2.1309 2.1803 2.3014 2.3137 2.5287 2.5491 2.6126 2.6743 2.7556 2.8512 2.8552 2.9628 3.2309 3.3186 3.5374 3.6593 3.7019 3.7343 4.2352 4.3052 4.3663 4.3706 4.4735 4.4738 4.7287 4.7415 4.9982 5.0311 5.2490 5.2720 7.9742 7.9833 9.3609 9.3663 9.3947 9.4095 9.6245 9.6310 9.9910 9.9948 10.8783 10.9415 k =-0.0935 0.0812 0.1239 ( 6419 PWs) bands (ev): -23.4692 -23.4692 -9.7787 -9.7786 -7.2600 -7.1979 -7.0819 -7.0188 -6.9764 -6.9317 -6.8002 -6.7917 -6.7706 -6.7697 -6.5991 -6.5649 -2.9654 -2.9642 0.0296 0.0336 0.1801 0.1858 0.2057 0.2096 1.3358 1.3760 1.8973 1.9156 1.9419 2.0895 2.1242 2.1861 2.2985 2.3023 2.5131 2.5282 2.6008 2.6695 2.7574 2.8341 2.8530 2.9304 3.2414 3.3287 3.5325 3.6430 3.7589 3.7913 4.2384 4.3007 4.3625 4.3674 4.5301 4.5348 4.7570 4.7682 4.9421 4.9746 5.2587 5.2800 7.8835 7.8923 9.3952 9.4155 9.4206 9.4212 9.6838 9.6922 9.9947 9.9986 10.8467 10.9071 k =-0.0831 0.0722 0.1101 ( 6411 PWs) bands (ev): -23.4692 -23.4692 -9.7814 -9.7814 -7.2559 -7.2008 -7.0734 -7.0218 -6.9816 -6.9370 -6.7907 -6.7853 -6.7597 -6.7577 -6.6044 -6.5725 -2.9801 -2.9791 0.0309 0.0348 0.1778 0.1831 0.2032 0.2069 1.3321 1.3685 1.9086 1.9186 1.9476 2.1032 2.1182 2.1891 2.2928 2.2988 2.4998 2.5071 2.5899 2.6648 2.7581 2.8202 2.8488 2.8996 3.2520 3.3371 3.5300 3.6251 3.8206 3.8501 4.2388 4.2966 4.3584 4.3630 4.5866 4.5924 4.7835 4.7933 4.8866 4.9183 5.2678 5.2872 7.7973 7.8058 9.4055 9.4230 9.4717 9.4732 9.7396 9.7502 9.9963 9.9999 10.8165 10.8737 k =-0.0727 0.0632 0.0963 ( 6413 PWs) bands (ev): -23.4692 -23.4692 -9.7839 -9.7839 -7.2520 -7.2039 -7.0651 -7.0241 -6.9866 -6.9432 -6.7814 -6.7789 -6.7491 -6.7465 -6.6098 -6.5803 -2.9935 -2.9926 0.0314 0.0350 0.1774 0.1822 0.2012 0.2047 1.3291 1.3614 1.9065 1.9348 1.9509 2.1021 2.1232 2.1888 2.2861 2.3027 2.4864 2.4883 2.5808 2.6600 2.7574 2.8098 2.8418 2.8720 3.2628 3.3435 3.5293 3.6087 3.8830 3.9103 4.2377 4.2934 4.3544 4.3584 4.6387 4.6426 4.8077 4.8154 4.8356 4.8644 5.2760 5.2935 7.7170 7.7249 9.4147 9.4308 9.5223 9.5243 9.7908 9.8035 9.9963 9.9994 10.7885 10.8423 k =-0.0623 0.0542 0.0826 ( 6417 PWs) bands (ev): -23.4693 -23.4693 -9.7861 -9.7861 -7.2482 -7.2072 -7.0568 -7.0258 -6.9912 -6.9500 -6.7726 -6.7725 -6.7391 -6.7363 -6.6152 -6.5884 -3.0054 -3.0046 0.0311 0.0344 0.1784 0.1829 0.1997 0.2031 1.3268 1.3549 1.9035 1.9514 1.9521 2.0939 2.1320 2.1857 2.2832 2.3098 2.4661 2.4778 2.5741 2.6548 2.7551 2.8031 2.8284 2.8524 3.2736 3.3480 3.5300 3.5944 3.9450 3.9715 4.2360 4.2915 4.3506 4.3538 4.6733 4.6777 4.7955 4.8172 4.8317 4.8386 5.2834 5.2988 7.6437 7.6509 9.4241 9.4388 9.5704 9.5726 9.8359 9.8507 9.9955 9.9975 10.7636 10.8133 k =-0.0519 0.0451 0.0688 ( 6427 PWs) bands (ev): -23.4693 -23.4693 -9.7880 -9.7880 -7.2446 -7.2106 -7.0488 -7.0269 -6.9953 -6.9573 -6.7663 -6.7648 -6.7296 -6.7271 -6.6203 -6.5966 -3.0156 -3.0150 0.0304 0.0331 0.1804 0.1844 0.1986 0.2020 1.3251 1.3488 1.9010 1.9487 1.9693 2.0859 2.1377 2.1805 2.2848 2.3193 2.4468 2.4673 2.5708 2.6491 2.7517 2.7997 2.8083 2.8416 3.2843 3.3503 3.5315 3.5821 4.0056 4.0331 4.2342 4.2916 4.3472 4.3496 4.6593 4.6807 4.7968 4.8041 4.8495 4.8567 5.2899 5.3030 7.5788 7.5851 9.4336 9.4465 9.6150 9.6172 9.8736 9.8901 9.9947 9.9953 10.7427 10.7873 k =-0.0416 0.0361 0.0550 ( 6431 PWs) bands (ev): -23.4693 -23.4693 -9.7895 -9.7895 -7.2411 -7.2140 -7.0412 -7.0273 -6.9987 -6.9648 -6.7607 -6.7582 -6.7209 -6.7190 -6.6250 -6.6047 -3.0242 -3.0236 0.0293 0.0315 0.1826 0.1862 0.1981 0.2013 1.3243 1.3434 1.8996 1.9431 1.9860 2.0788 2.1404 2.1740 2.2909 2.3302 2.4287 2.4561 2.5713 2.6423 2.7479 2.7884 2.7989 2.8341 3.2948 3.3504 3.5337 3.5719 4.0631 4.0944 4.2329 4.2949 4.3444 4.3459 4.6127 4.6424 4.8236 4.8248 4.8656 4.8722 5.2954 5.3061 7.5234 7.5287 9.4425 9.4534 9.6547 9.6569 9.9027 9.9199 9.9940 9.9950 10.7264 10.7647 k =-0.0312 0.0271 0.0413 ( 6409 PWs) bands (ev): -23.4693 -23.4693 -9.7907 -9.7907 -7.2376 -7.2174 -7.0345 -7.0272 -7.0009 -6.9724 -6.7557 -6.7531 -6.7132 -6.7121 -6.6288 -6.6125 -3.0309 -3.0305 0.0283 0.0300 0.1847 0.1876 0.1983 0.2010 1.3242 1.3386 1.8998 1.9355 2.0021 2.0720 2.1415 2.1670 2.3005 2.3408 2.4128 2.4440 2.5753 2.6342 2.7447 2.7715 2.8002 2.8275 3.3050 3.3485 3.5363 3.5635 4.1147 4.1530 4.2338 4.3036 4.3424 4.3428 4.5572 4.5899 4.8515 4.8525 4.8785 4.8848 5.3000 5.3082 7.4789 7.4830 9.4506 9.4592 9.6882 9.6903 9.9225 9.9383 9.9956 9.9973 10.7153 10.7457 k =-0.0208 0.0181 0.0275 ( 6413 PWs) bands (ev): -23.4693 -23.4693 -9.7916 -9.7916 -7.2342 -7.2208 -7.0293 -7.0268 -7.0012 -6.9800 -6.7518 -6.7496 -6.7071 -6.7067 -6.6312 -6.6196 -3.0357 -3.0355 0.0275 0.0286 0.1864 0.1884 0.1991 0.2010 1.3248 1.3345 1.9017 1.9269 2.0174 2.0645 2.1425 2.1601 2.3126 2.3484 2.4014 2.4312 2.5825 2.6246 2.7426 2.7586 2.8027 2.8213 3.3147 3.3446 3.5393 3.5567 4.1562 4.1966 4.2480 4.3194 4.3404 4.3421 4.5009 4.5349 4.8731 4.8752 4.8883 4.8943 5.3037 5.3092 7.4464 7.4492 9.4573 9.4632 9.7140 9.7157 9.9343 9.9459 10.0001 10.0011 10.7093 10.7305 k =-0.0104 0.0090 0.0138 ( 6413 PWs) bands (ev): -23.4693 -23.4693 -9.7921 -9.7921 -7.2309 -7.2241 -7.0265 -7.0261 -6.9987 -6.9872 -6.7490 -6.7478 -6.7032 -6.7031 -6.6317 -6.6256 -3.0386 -3.0385 0.0271 0.0276 0.1875 0.1885 0.2000 0.2010 1.3262 1.3310 1.9055 1.9185 2.0316 2.0554 2.1448 2.1538 2.3258 2.3477 2.3993 2.4183 2.5919 2.6139 2.7423 2.7497 2.8062 2.8157 3.3238 3.3390 3.5427 3.5511 4.1841 4.2058 4.2923 4.3341 4.3386 4.3481 4.4525 4.4828 4.8860 4.8882 4.8963 4.9004 5.3065 5.3092 7.4268 7.4282 9.4621 9.4651 9.7306 9.7316 9.9408 9.9467 10.0044 10.0046 10.7082 10.7191 k = 0.0000 0.0000 0.0000 ( 6421 PWs) bands (ev): -23.4693 -23.4693 -9.7923 -9.7923 -7.2275 -7.2275 -7.0258 -7.0258 -6.9937 -6.9937 -6.7476 -6.7476 -6.7018 -6.7018 -6.6298 -6.6298 -3.0395 -3.0395 0.0271 0.0271 0.1882 0.1882 0.2007 0.2007 1.3282 1.3282 1.9112 1.9112 2.0443 2.0443 2.1486 2.1486 2.3385 2.3385 2.4066 2.4066 2.6026 2.6026 2.7445 2.7445 2.8106 2.8106 3.3319 3.3319 3.5466 3.5466 4.1997 4.1997 4.3359 4.3359 4.3391 4.3391 4.4443 4.4443 4.8908 4.8908 4.9015 4.9015 5.3083 5.3083 7.4206 7.4206 9.4648 9.4648 9.7366 9.7366 9.9446 9.9446 10.0060 10.0060 10.7116 10.7116 k = 0.0000 0.0000 0.0000 ( 6421 PWs) bands (ev): -23.4693 -23.4693 -9.7923 -9.7923 -7.2275 -7.2275 -7.0258 -7.0258 -6.9937 -6.9937 -6.7476 -6.7476 -6.7018 -6.7018 -6.6298 -6.6298 -3.0395 -3.0395 0.0271 0.0271 0.1882 0.1882 0.2007 0.2007 1.3282 1.3282 1.9112 1.9112 2.0443 2.0443 2.1486 2.1486 2.3385 2.3385 2.4066 2.4066 2.6026 2.6026 2.7445 2.7445 2.8106 2.8106 3.3319 3.3319 3.5466 3.5466 4.1997 4.1997 4.3359 4.3359 4.3391 4.3391 4.4443 4.4443 4.8908 4.8908 4.9015 4.9015 5.3083 5.3083 7.4206 7.4206 9.4648 9.4648 9.7366 9.7366 9.9446 9.9446 10.0060 10.0060 10.7116 10.7116 k = 0.0128 0.0148 0.0000 ( 6413 PWs) bands (ev): -23.4693 -23.4693 -9.7921 -9.7921 -7.2276 -7.2276 -7.0262 -7.0262 -6.9935 -6.9935 -6.7473 -6.7473 -6.7015 -6.7015 -6.6307 -6.6307 -3.0389 -3.0389 0.0280 0.0280 0.1889 0.1889 0.2014 0.2014 1.3281 1.3281 1.9108 1.9108 2.0442 2.0442 2.1484 2.1484 2.3385 2.3385 2.4064 2.4064 2.6026 2.6026 2.7446 2.7446 2.8105 2.8105 3.3312 3.3312 3.5424 3.5424 4.1993 4.1993 4.3352 4.3352 4.3397 4.3397 4.4498 4.4498 4.8906 4.8906 4.9016 4.9016 5.3041 5.3041 7.4258 7.4258 9.4647 9.4647 9.7337 9.7337 9.9434 9.9434 10.0045 10.0045 10.7121 10.7121 k = 0.0256 0.0295 0.0000 ( 6413 PWs) bands (ev): -23.4693 -23.4693 -9.7916 -9.7916 -7.2279 -7.2279 -7.0276 -7.0276 -6.9928 -6.9928 -6.7466 -6.7466 -6.7006 -6.7006 -6.6336 -6.6336 -3.0368 -3.0368 0.0307 0.0307 0.1911 0.1911 0.2036 0.2036 1.3277 1.3277 1.9096 1.9096 2.0436 2.0436 2.1480 2.1480 2.3383 2.3383 2.4057 2.4057 2.6023 2.6023 2.7451 2.7451 2.8100 2.8100 3.3291 3.3291 3.5303 3.5303 4.1981 4.1981 4.3334 4.3334 4.3403 4.3403 4.4662 4.4662 4.8901 4.8901 4.9018 4.9018 5.2915 5.2915 7.4410 7.4410 9.4646 9.4646 9.7249 9.7249 9.9396 9.9396 9.9998 9.9998 10.7135 10.7135 k = 0.0385 0.0443 0.0000 ( 6421 PWs) bands (ev): -23.4693 -23.4693 -9.7908 -9.7908 -7.2284 -7.2284 -7.0299 -7.0299 -6.9916 -6.9916 -6.7453 -6.7453 -6.6991 -6.6991 -6.6384 -6.6384 -3.0335 -3.0335 0.0351 0.0351 0.1947 0.1947 0.2072 0.2072 1.3271 1.3271 1.9075 1.9075 2.0427 2.0427 2.1472 2.1472 2.3378 2.3378 2.4045 2.4045 2.6019 2.6019 2.7459 2.7459 2.8092 2.8092 3.3256 3.3256 3.5114 3.5114 4.1961 4.1961 4.3310 4.3310 4.3403 4.3403 4.4930 4.4930 4.8895 4.8895 4.9022 4.9022 5.2711 5.2711 7.4660 7.4660 9.4646 9.4646 9.7102 9.7102 9.9334 9.9334 9.9923 9.9923 10.7157 10.7157 k = 0.0513 0.0590 0.0000 ( 6433 PWs) bands (ev): -23.4693 -23.4693 -9.7896 -9.7896 -7.2291 -7.2291 -7.0330 -7.0330 -6.9900 -6.9900 -6.7436 -6.7436 -6.6970 -6.6970 -6.6449 -6.6449 -3.0288 -3.0288 0.0413 0.0413 0.1998 0.1998 0.2122 0.2122 1.3261 1.3261 1.9046 1.9046 2.0415 2.0415 2.1461 2.1461 2.3371 2.3371 2.4030 2.4030 2.6013 2.6013 2.7470 2.7470 2.8080 2.8080 3.3207 3.3207 3.4870 3.4870 4.1933 4.1933 4.3278 4.3278 4.3391 4.3391 4.5291 4.5291 4.8888 4.8888 4.9027 4.9027 5.2436 5.2436 7.4999 7.4999 9.4648 9.4648 9.6896 9.6896 9.9249 9.9249 9.9821 9.9821 10.7185 10.7185 k = 0.0641 0.0738 0.0000 ( 6425 PWs) bands (ev): -23.4693 -23.4693 -9.7881 -9.7881 -7.2301 -7.2301 -7.0368 -7.0368 -6.9879 -6.9879 -6.7415 -6.7415 -6.6944 -6.6944 -6.6531 -6.6531 -3.0229 -3.0229 0.0492 0.0492 0.2062 0.2062 0.2186 0.2186 1.3249 1.3249 1.9008 1.9008 2.0400 2.0400 2.1447 2.1447 2.3360 2.3360 2.4014 2.4014 2.6006 2.6006 2.7484 2.7484 2.8066 2.8066 3.3142 3.3142 3.4587 3.4587 4.1896 4.1896 4.3237 4.3237 4.3368 4.3368 4.5730 4.5730 4.8884 4.8884 4.9035 4.9035 5.2097 5.2097 7.5420 7.5420 9.4655 9.4655 9.6634 9.6634 9.9144 9.9144 9.9694 9.9694 10.7216 10.7216 k = 0.0769 0.0885 0.0000 ( 6425 PWs) bands (ev): -23.4693 -23.4693 -9.7863 -9.7863 -7.2315 -7.2315 -7.0415 -7.0415 -6.9853 -6.9853 -6.7391 -6.7391 -6.6913 -6.6913 -6.6628 -6.6628 -3.0157 -3.0157 0.0589 0.0589 0.2140 0.2140 0.2264 0.2264 1.3234 1.3234 1.8961 1.8961 2.0384 2.0384 2.1430 2.1430 2.3342 2.3343 2.3998 2.3998 2.5997 2.5997 2.7502 2.7502 2.8049 2.8049 3.3059 3.3059 3.4282 3.4282 4.1850 4.1850 4.3186 4.3186 4.3331 4.3331 4.6233 4.6233 4.8882 4.8882 4.9046 4.9046 5.1704 5.1704 7.5915 7.5915 9.4670 9.4670 9.6316 9.6316 9.9022 9.9022 9.9546 9.9546 10.7247 10.7247 k = 0.0897 0.1033 0.0000 ( 6437 PWs) bands (ev): -23.4693 -23.4693 -9.7841 -9.7841 -7.2332 -7.2332 -7.0467 -7.0467 -6.9824 -6.9824 -6.7364 -6.7364 -6.6878 -6.6878 -6.6737 -6.6737 -3.0074 -3.0074 0.0702 0.0702 0.2231 0.2231 0.2354 0.2354 1.3216 1.3216 1.8903 1.8903 2.0365 2.0365 2.1410 2.1410 2.3317 2.3317 2.3984 2.3984 2.5986 2.5986 2.7523 2.7523 2.8030 2.8030 3.2957 3.2957 3.3969 3.3969 4.1794 4.1794 4.3123 4.3123 4.3280 4.3280 4.6786 4.6786 4.8887 4.8887 4.9061 4.9061 5.1267 5.1267 7.6472 7.6472 9.4695 9.4695 9.5946 9.5946 9.8884 9.8884 9.9380 9.9380 10.7273 10.7273 k = 0.1026 0.1180 0.0000 ( 6421 PWs) bands (ev): -23.4692 -23.4692 -9.7816 -9.7816 -7.2352 -7.2352 -7.0526 -7.0526 -6.9792 -6.9792 -6.7338 -6.7338 -6.6854 -6.6854 -6.6838 -6.6838 -2.9980 -2.9980 0.0831 0.0831 0.2335 0.2335 0.2458 0.2458 1.3195 1.3195 1.8836 1.8836 2.0347 2.0347 2.1386 2.1386 2.3282 2.3283 2.3975 2.3975 2.5974 2.5974 2.7548 2.7548 2.8007 2.8007 3.2828 3.2828 3.3665 3.3665 4.1729 4.1729 4.3047 4.3047 4.3213 4.3213 4.7379 4.7379 4.8899 4.8899 4.9081 4.9081 5.0799 5.0799 7.7085 7.7085 9.4733 9.4733 9.5528 9.5528 9.8734 9.8734 9.9201 9.9201 10.7290 10.7290 k = 0.1154 0.1328 0.0000 ( 6417 PWs) bands (ev): -23.4692 -23.4692 -9.7788 -9.7788 -7.2377 -7.2377 -7.0589 -7.0589 -6.9760 -6.9760 -6.7318 -6.7318 -6.6970 -6.6970 -6.6795 -6.6795 -2.9875 -2.9875 0.0976 0.0976 0.2450 0.2450 0.2573 0.2573 1.3171 1.3171 1.8758 1.8758 2.0328 2.0328 2.1358 2.1358 2.3237 2.3237 2.3972 2.3972 2.5960 2.5960 2.7575 2.7575 2.7983 2.7983 3.2665 3.2665 3.3384 3.3384 4.1653 4.1653 4.2956 4.2956 4.3129 4.3129 4.8000 4.8000 4.8921 4.8921 4.9104 4.9104 5.0313 5.0313 7.7743 7.7743 9.4775 9.4775 9.5078 9.5078 9.8575 9.8575 9.9011 9.9011 10.7292 10.7292 k = 0.1282 0.1475 0.0000 ( 6417 PWs) bands (ev): -23.4692 -23.4692 -9.7757 -9.7757 -7.2407 -7.2407 -7.0657 -7.0657 -6.9729 -6.9729 -6.7323 -6.7323 -6.7064 -6.7064 -6.6750 -6.6750 -2.9762 -2.9762 0.1136 0.1136 0.2577 0.2577 0.2699 0.2699 1.3144 1.3144 1.8670 1.8670 2.0310 2.0310 2.1326 2.1326 2.3179 2.3179 2.3975 2.3975 2.5943 2.5943 2.7607 2.7607 2.7957 2.7957 3.2461 3.2461 3.3142 3.3142 4.1566 4.1566 4.2850 4.2850 4.3028 4.3028 4.8622 4.8622 4.8948 4.8948 4.9134 4.9134 4.9841 4.9841 7.8440 7.8440 9.4528 9.4528 9.4897 9.4897 9.8409 9.8409 9.8813 9.8813 10.7272 10.7272 k = 0.1410 0.1623 0.0000 ( 6437 PWs) bands (ev): -23.4692 -23.4692 -9.7723 -9.7723 -7.2441 -7.2441 -7.0728 -7.0728 -6.9704 -6.9704 -6.7381 -6.7381 -6.7101 -6.7101 -6.6702 -6.6702 -2.9639 -2.9639 0.1311 0.1311 0.2714 0.2714 0.2836 0.2836 1.3112 1.3112 1.8572 1.8572 2.0291 2.0291 2.1290 2.1290 2.3109 2.3109 2.3985 2.3985 2.5925 2.5925 2.7641 2.7641 2.7929 2.7929 3.2221 3.2221 3.2938 3.2938 4.1468 4.1468 4.2726 4.2726 4.2908 4.2908 4.8855 4.8855 4.9024 4.9024 4.9384 4.9384 4.9518 4.9518 7.9168 7.9168 9.4000 9.4000 9.4985 9.4985 9.8239 9.8239 9.8611 9.8611 10.7227 10.7227 k = 0.1538 0.1770 0.0000 ( 6425 PWs) bands (ev): -23.4692 -23.4692 -9.7685 -9.7685 -7.2480 -7.2480 -7.0803 -7.0803 -6.9689 -6.9689 -6.7482 -6.7482 -6.7088 -6.7088 -6.6652 -6.6652 -2.9510 -2.9510 0.1499 0.1499 0.2861 0.2861 0.2983 0.2983 1.3078 1.3078 1.8465 1.8465 2.0275 2.0275 2.1249 2.1249 2.3030 2.3030 2.4002 2.4002 2.5904 2.5904 2.7678 2.7678 2.7901 2.7901 3.1961 3.1961 3.2761 3.2761 4.1358 4.1358 4.2586 4.2586 4.2769 4.2769 4.8495 4.8495 4.9091 4.9091 4.9406 4.9406 5.0063 5.0063 7.9921 7.9921 9.3433 9.3433 9.5106 9.5106 9.8066 9.8066 9.8408 9.8408 10.7150 10.7150 k = 0.1667 0.1918 0.0000 ( 6433 PWs) bands (ev): -23.4692 -23.4692 -9.7645 -9.7645 -7.2523 -7.2523 -7.0880 -7.0880 -6.9690 -6.9690 -6.7588 -6.7588 -6.7054 -6.7054 -6.6601 -6.6601 -2.9373 -2.9373 0.1701 0.1701 0.3017 0.3017 0.3139 0.3139 1.3039 1.3039 1.8348 1.8348 2.0259 2.0259 2.1203 2.1203 2.2941 2.2941 2.4025 2.4025 2.5881 2.5881 2.7715 2.7715 2.7875 2.7875 3.1695 3.1695 3.2599 3.2599 4.1236 4.1236 4.2427 4.2427 4.2611 4.2611 4.7995 4.7995 4.9172 4.9172 4.9450 4.9450 5.0749 5.0749 8.0694 8.0694 9.2840 9.2840 9.5253 9.5253 9.7893 9.7893 9.8204 9.8204 10.7038 10.7038 k = 0.1795 0.2065 0.0000 ( 6441 PWs) bands (ev): -23.4692 -23.4692 -9.7601 -9.7601 -7.2570 -7.2570 -7.0958 -7.0958 -6.9715 -6.9715 -6.7681 -6.7681 -6.7011 -6.7011 -6.6548 -6.6548 -2.9231 -2.9231 0.1915 0.1915 0.3181 0.3181 0.3303 0.3303 1.2996 1.2996 1.8225 1.8225 2.0245 2.0245 2.1152 2.1152 2.2846 2.2846 2.4052 2.4052 2.5855 2.5855 2.7748 2.7748 2.7855 2.7855 3.1437 3.1437 3.2443 3.2443 4.1102 4.1102 4.2250 4.2250 4.2435 4.2435 4.7467 4.7467 4.9270 4.9270 4.9532 4.9532 5.1447 5.1447 8.1482 8.1482 9.2231 9.2231 9.5425 9.5425 9.7720 9.7720 9.8003 9.8003 10.6888 10.6888 k = 0.1923 0.2213 0.0000 ( 6453 PWs) bands (ev): -23.4692 -23.4692 -9.7555 -9.7555 -7.2621 -7.2621 -7.1038 -7.1038 -6.9770 -6.9770 -6.7749 -6.7749 -6.6963 -6.6963 -6.6496 -6.6496 -2.9084 -2.9084 0.2139 0.2139 0.3352 0.3352 0.3473 0.3473 1.2949 1.2949 1.8094 1.8094 2.0232 2.0232 2.1096 2.1096 2.2745 2.2745 2.4082 2.4082 2.5826 2.5826 2.7757 2.7757 2.7861 2.7861 3.1192 3.1192 3.2289 3.2289 4.0955 4.0955 4.2056 4.2056 4.2242 4.2242 4.6935 4.6935 4.9385 4.9385 4.9636 4.9636 5.2151 5.2151 8.2280 8.2280 9.1609 9.1609 9.5622 9.5622 9.7550 9.7550 9.7806 9.7806 10.6700 10.6700 k = 0.2051 0.2360 0.0000 ( 6429 PWs) bands (ev): -23.4692 -23.4692 -9.7507 -9.7507 -7.2675 -7.2675 -7.1118 -7.1118 -6.9858 -6.9858 -6.7786 -6.7786 -6.6912 -6.6912 -6.6443 -6.6443 -2.8934 -2.8934 0.2375 0.2375 0.3529 0.3529 0.3650 0.3650 1.2898 1.2898 1.7960 1.7960 2.0221 2.0221 2.1033 2.1033 2.2641 2.2641 2.4116 2.4116 2.5796 2.5796 2.7739 2.7739 2.7899 2.7899 3.0965 3.0965 3.2136 3.2136 4.0796 4.0796 4.1844 4.1844 4.2035 4.2035 4.6409 4.6409 4.9517 4.9517 4.9758 4.9758 5.2855 5.2855 8.3082 8.3082 9.0984 9.0984 9.5840 9.5840 9.7382 9.7382 9.7614 9.7614 10.6474 10.6474 k = 0.2179 0.2508 0.0000 ( 6405 PWs) bands (ev): -23.4691 -23.4691 -9.7456 -9.7456 -7.2733 -7.2733 -7.1198 -7.1198 -6.9979 -6.9979 -6.7792 -6.7792 -6.6857 -6.6857 -6.6390 -6.6390 -2.8780 -2.8780 0.2619 0.2619 0.3711 0.3711 0.3832 0.3832 1.2843 1.2843 1.7822 1.7822 2.0210 2.0210 2.0964 2.0964 2.2536 2.2536 2.4150 2.4150 2.5762 2.5762 2.7710 2.7710 2.7951 2.7951 3.0757 3.0757 3.1982 3.1982 4.0623 4.0623 4.1617 4.1617 4.1815 4.1815 4.5895 4.5895 4.9664 4.9664 4.9895 4.9895 5.3557 5.3557 8.3883 8.3883 9.0361 9.0361 9.6076 9.6076 9.7219 9.7219 9.7429 9.7429 10.6212 10.6212 k = 0.2308 0.2655 0.0000 ( 6405 PWs) bands (ev): -23.4691 -23.4691 -9.7403 -9.7403 -7.2794 -7.2794 -7.1278 -7.1278 -7.0130 -7.0130 -6.7770 -6.7770 -6.6800 -6.6800 -6.6338 -6.6338 -2.8625 -2.8625 0.2871 0.2871 0.3897 0.3897 0.4017 0.4017 1.2784 1.2784 1.7682 1.7682 2.0200 2.0200 2.0887 2.0887 2.2432 2.2432 2.4185 2.4185 2.5725 2.5725 2.7676 2.7676 2.8009 2.8009 3.0568 3.0568 3.1828 3.1828 4.0435 4.0435 4.1375 4.1375 4.1586 4.1586 4.5396 4.5396 4.9825 4.9825 5.0047 5.0047 5.4253 5.4253 8.4672 8.4672 8.9755 8.9755 9.6322 9.6322 9.7064 9.7064 9.7252 9.7252 10.5918 10.5918 k = 0.2436 0.2803 0.0000 ( 6401 PWs) bands (ev): -23.4691 -23.4691 -9.7348 -9.7348 -7.2858 -7.2858 -7.1357 -7.1357 -7.0303 -7.0303 -6.7725 -6.7725 -6.6740 -6.6740 -6.6287 -6.6287 -2.8470 -2.8470 0.3129 0.3129 0.4085 0.4085 0.4205 0.4205 1.2721 1.2721 1.7541 1.7541 2.0191 2.0191 2.0803 2.0803 2.2331 2.2331 2.4221 2.4221 2.5685 2.5685 2.7642 2.7642 2.8071 2.8071 3.0400 3.0400 3.1674 3.1674 4.0232 4.0232 4.1120 4.1120 4.1353 4.1353 4.4915 4.4915 4.9999 4.9999 5.0210 5.0210 5.4941 5.4941 8.5429 8.5429 8.9184 8.9184 9.6542 9.6542 9.6939 9.6939 9.7097 9.7097 10.5597 10.5597 k = 0.2564 0.2951 0.0000 ( 6381 PWs) bands (ev): -23.4691 -23.4691 -9.7291 -9.7291 -7.2924 -7.2924 -7.1434 -7.1434 -7.0493 -7.0493 -6.7663 -6.7663 -6.6678 -6.6678 -6.6237 -6.6237 -2.8315 -2.8315 0.3392 0.3392 0.4276 0.4276 0.4394 0.4394 1.2654 1.2654 1.7402 1.7402 2.0182 2.0182 2.0712 2.0712 2.2234 2.2234 2.4255 2.4255 2.5643 2.5643 2.7607 2.7607 2.8136 2.8136 3.0254 3.0254 3.1522 3.1522 4.0012 4.0012 4.0855 4.0855 4.1118 4.1118 4.4455 4.4455 5.0184 5.0184 5.0384 5.0384 5.5618 5.5618 8.6101 8.6101 8.8706 8.8706 9.6596 9.6596 9.6853 9.6853 9.7088 9.7088 10.5252 10.5252 k = 0.2692 0.3098 0.0000 ( 6393 PWs) bands (ev): -23.4691 -23.4691 -9.7234 -9.7234 -7.2993 -7.2993 -7.1510 -7.1510 -7.0694 -7.0694 -6.7590 -6.7590 -6.6612 -6.6612 -6.6188 -6.6188 -2.8161 -2.8161 0.3659 0.3659 0.4466 0.4466 0.4584 0.4584 1.2583 1.2583 1.7265 1.7265 2.0173 2.0173 2.0615 2.0615 2.2143 2.2143 2.4287 2.4287 2.5597 2.5597 2.7572 2.7572 2.8203 2.8203 3.0126 3.0126 3.1373 3.1373 3.9776 3.9776 4.0579 4.0579 4.0885 4.0885 4.4016 4.4016 5.0379 5.0379 5.0568 5.0568 5.6281 5.6281 8.6528 8.6528 8.8480 8.8480 9.6483 9.6483 9.6711 9.6711 9.7320 9.7320 10.4889 10.4889 k = 0.2821 0.3246 0.0000 ( 6413 PWs) bands (ev): -23.4691 -23.4691 -9.7175 -9.7175 -7.3065 -7.3065 -7.1584 -7.1584 -7.0901 -7.0901 -6.7510 -6.7510 -6.6543 -6.6543 -6.6141 -6.6141 -2.8009 -2.8009 0.3928 0.3928 0.4656 0.4656 0.4772 0.4772 1.2509 1.2509 1.7132 1.7132 2.0161 2.0161 2.0514 2.0514 2.2058 2.2058 2.4318 2.4318 2.5549 2.5549 2.7537 2.7537 2.8271 2.8271 3.0017 3.0017 3.1228 3.1228 3.9524 3.9524 4.0297 4.0297 4.0658 4.0658 4.3603 4.3603 5.0581 5.0581 5.0759 5.0759 5.6929 5.6929 8.6486 8.6486 8.8730 8.8730 9.6334 9.6334 9.6556 9.6556 9.7614 9.7614 10.4513 10.4513 k = 0.2949 0.3393 0.0000 ( 6401 PWs) bands (ev): -23.4691 -23.4691 -9.7116 -9.7116 -7.3138 -7.3138 -7.1656 -7.1656 -7.1107 -7.1107 -6.7428 -6.7428 -6.6471 -6.6471 -6.6095 -6.6095 -2.7860 -2.7860 0.4196 0.4196 0.4844 0.4844 0.4959 0.4959 1.2433 1.2433 1.7003 1.7003 2.0146 2.0146 2.0412 2.0412 2.1982 2.1982 2.4346 2.4346 2.5499 2.5499 2.7502 2.7502 2.8339 2.8339 2.9927 2.9927 3.1089 3.1089 3.9257 3.9257 4.0010 4.0010 4.0439 4.0439 4.3215 4.3215 5.0788 5.0788 5.0955 5.0955 5.7559 5.7559 8.6116 8.6116 8.9318 8.9318 9.6177 9.6177 9.6402 9.6402 9.7925 9.7925 10.4128 10.4128 k = 0.3077 0.3541 0.0000 ( 6405 PWs) bands (ev): -23.4691 -23.4691 -9.7057 -9.7057 -7.3214 -7.3214 -7.1724 -7.1724 -7.1311 -7.1311 -6.7347 -6.7347 -6.6396 -6.6396 -6.6052 -6.6052 -2.7716 -2.7716 0.4463 0.4463 0.5029 0.5029 0.5142 0.5142 1.2355 1.2355 1.6880 1.6880 2.0118 2.0118 2.0318 2.0318 2.1913 2.1913 2.4372 2.4372 2.5448 2.5448 2.7468 2.7468 2.8407 2.8407 2.9854 2.9854 3.0958 3.0958 3.8977 3.8977 3.9720 3.9720 4.0228 4.0228 4.2853 4.2853 5.0999 5.0999 5.1155 5.1155 5.8168 5.8168 8.5640 8.5640 9.0018 9.0018 9.6017 9.6017 9.6250 9.6250 9.8246 9.8246 10.3740 10.3740 k = 0.3205 0.3688 0.0000 ( 6405 PWs) bands (ev): -23.4690 -23.4690 -9.6999 -9.6999 -7.3293 -7.3293 -7.1790 -7.1790 -7.1507 -7.1507 -6.7269 -6.7269 -6.6318 -6.6318 -6.6010 -6.6010 -2.7576 -2.7576 0.4725 0.4725 0.5210 0.5210 0.5320 0.5320 1.2276 1.2276 1.6763 1.6763 2.0063 2.0063 2.0249 2.0249 2.1853 2.1853 2.4395 2.4395 2.5395 2.5395 2.7434 2.7434 2.8472 2.8472 2.9796 2.9796 3.0838 3.0838 3.8688 3.8688 3.9431 3.9431 4.0027 4.0027 4.2518 4.2518 5.1212 5.1212 5.1356 5.1356 5.8754 5.8754 8.5140 8.5140 9.0746 9.0746 9.5858 9.5858 9.6099 9.6099 9.8572 9.8572 10.3353 10.3353 k = 0.3333 0.3836 0.0000 ( 6404 PWs) bands (ev): -23.4690 -23.4690 -9.6941 -9.6941 -7.3374 -7.3374 -7.1853 -7.1853 -7.1694 -7.1694 -6.7195 -6.7195 -6.6237 -6.6237 -6.5971 -6.5971 -2.7443 -2.7443 0.4980 0.4980 0.5386 0.5386 0.5492 0.5492 1.2196 1.2196 1.6653 1.6653 1.9975 1.9975 2.0213 2.0213 2.1800 2.1800 2.4416 2.4416 2.5342 2.5342 2.7400 2.7400 2.8534 2.8534 2.9753 2.9753 3.0731 3.0731 3.8394 3.8394 3.9144 3.9144 3.9836 3.9836 4.2210 4.2210 5.1423 5.1423 5.1556 5.1556 5.9315 5.9315 8.4647 8.4647 9.1472 9.1472 9.5700 9.5700 9.5952 9.5952 9.8904 9.8904 10.2971 10.2971 k = 0.3462 0.3983 0.0000 ( 6404 PWs) bands (ev): -23.4690 -23.4690 -9.6885 -9.6885 -7.3457 -7.3457 -7.1913 -7.1913 -7.1868 -7.1868 -6.7128 -6.7128 -6.6155 -6.6155 -6.5934 -6.5934 -2.7315 -2.7315 0.5226 0.5226 0.5557 0.5557 0.5658 0.5658 1.2118 1.2118 1.6550 1.6550 1.9870 1.9870 2.0194 2.0194 2.1754 2.1754 2.4433 2.4433 2.5288 2.5288 2.7366 2.7366 2.8588 2.8588 2.9722 2.9722 3.0639 3.0639 3.8097 3.8097 3.8863 3.8863 3.9654 3.9654 4.1929 4.1929 5.1632 5.1632 5.1754 5.1754 5.9847 5.9847 8.4171 8.4171 9.2179 9.2179 9.5543 9.5543 9.5806 9.5806 9.9244 9.9244 10.2598 10.2598 k = 0.3590 0.4131 0.0000 ( 6404 PWs) bands (ev): -23.4690 -23.4690 -9.6830 -9.6830 -7.3542 -7.3542 -7.2031 -7.2031 -7.1966 -7.1966 -6.7066 -6.7066 -6.6073 -6.6073 -6.5899 -6.5899 -2.7195 -2.7195 0.5458 0.5458 0.5724 0.5724 0.5817 0.5817 1.2041 1.2041 1.6454 1.6454 1.9762 1.9762 2.0183 2.0183 2.1715 2.1715 2.4448 2.4448 2.5235 2.5235 2.7333 2.7333 2.8634 2.8634 2.9703 2.9703 3.0566 3.0566 3.7803 3.7803 3.8590 3.8590 3.9483 3.9483 4.1675 4.1675 5.1835 5.1835 5.1946 5.1946 6.0349 6.0349 8.3720 8.3720 9.2854 9.2854 9.5390 9.5390 9.5664 9.5664 9.9593 9.9593 10.2240 10.2240 k = 0.3718 0.4278 0.0000 ( 6396 PWs) bands (ev): -23.4690 -23.4690 -9.6778 -9.6778 -7.3629 -7.3629 -7.2175 -7.2175 -7.2017 -7.2017 -6.7012 -6.7012 -6.5991 -6.5991 -6.5868 -6.5868 -2.7084 -2.7084 0.5671 0.5671 0.5886 0.5886 0.5968 0.5968 1.1966 1.1966 1.6366 1.6366 1.9655 1.9655 2.0175 2.0175 2.1683 2.1683 2.4460 2.4460 2.5184 2.5184 2.7301 2.7301 2.8669 2.8669 2.9695 2.9695 3.0512 3.0512 3.7514 3.7514 3.8327 3.8327 3.9322 3.9322 4.1447 4.1447 5.2031 5.2031 5.2131 5.2131 6.0818 6.0818 8.3298 8.3298 9.3489 9.3489 9.5242 9.5242 9.5526 9.5526 9.9957 9.9957 10.1898 10.1898 k = 0.3846 0.4426 0.0000 ( 6412 PWs) bands (ev): -23.4690 -23.4690 -9.6730 -9.6730 -7.3716 -7.3716 -7.2304 -7.2304 -7.2064 -7.2064 -6.6963 -6.6963 -6.5913 -6.5913 -6.5839 -6.5839 -2.6980 -2.6980 0.5858 0.5858 0.6044 0.6044 0.6114 0.6114 1.1896 1.1896 1.6286 1.6286 1.9553 1.9553 2.0168 2.0168 2.1655 2.1655 2.4470 2.4470 2.5134 2.5134 2.7268 2.7268 2.8691 2.8691 2.9695 2.9695 3.0479 3.0479 3.7235 3.7235 3.8078 3.8078 3.9173 3.9173 4.1244 4.1244 5.2216 5.2216 5.2306 5.2306 6.1252 6.1252 8.2908 8.2908 9.4071 9.4071 9.5102 9.5102 9.5394 9.5394 10.0341 10.0341 10.1578 10.1578 k = 0.3974 0.4573 0.0000 ( 6436 PWs) bands (ev): -23.4690 -23.4690 -9.6684 -9.6684 -7.3801 -7.3801 -7.2416 -7.2416 -7.2107 -7.2107 -6.6921 -6.6921 -6.5839 -6.5839 -6.5812 -6.5812 -2.6886 -2.6886 0.6018 0.6018 0.6188 0.6189 0.6263 0.6263 1.1830 1.1830 1.6214 1.6214 1.9458 1.9458 2.0163 2.0163 2.1633 2.1633 2.4477 2.4477 2.5087 2.5087 2.7237 2.7237 2.8702 2.8702 2.9704 2.9704 3.0465 3.0465 3.6970 3.6970 3.7845 3.7845 3.9037 3.9037 4.1065 4.1065 5.2390 5.2390 5.2469 5.2469 6.1648 6.1648 8.2554 8.2554 9.4588 9.4588 9.4975 9.4975 9.5269 9.5269 10.0743 10.0743 10.1286 10.1286 k = 0.4103 0.4721 0.0000 ( 6440 PWs) bands (ev): -23.4690 -23.4690 -9.6643 -9.6643 -7.3883 -7.3883 -7.2513 -7.2513 -7.2145 -7.2145 -6.6884 -6.6884 -6.5791 -6.5791 -6.5767 -6.5767 -2.6802 -2.6802 0.6151 0.6151 0.6312 0.6312 0.6416 0.6416 1.1770 1.1770 1.6149 1.6149 1.9371 1.9371 2.0158 2.0158 2.1615 2.1615 2.4483 2.4483 2.5044 2.5044 2.7207 2.7207 2.8702 2.8702 2.9719 2.9719 3.0468 3.0468 3.6722 3.6722 3.7631 3.7631 3.8914 3.8914 4.0911 4.0911 5.2549 5.2549 5.2619 5.2619 6.2003 6.2003 8.2237 8.2237 9.4815 9.4815 9.5077 9.5077 9.5159 9.5159 10.0977 10.0977 10.1217 10.1217 k = 0.4231 0.4868 0.0000 ( 6432 PWs) bands (ev): -23.4690 -23.4690 -9.6606 -9.6606 -7.3960 -7.3960 -7.2593 -7.2593 -7.2178 -7.2178 -6.6853 -6.6853 -6.5770 -6.5770 -6.5705 -6.5705 -2.6728 -2.6728 0.6262 0.6262 0.6416 0.6416 0.6564 0.6564 1.1716 1.1716 1.6093 1.6093 1.9294 1.9294 2.0154 2.0154 2.1601 2.1601 2.4487 2.4487 2.5006 2.5006 2.7178 2.7178 2.8694 2.8694 2.9738 2.9738 3.0486 3.0486 3.6495 3.6495 3.7439 3.7439 3.8805 3.8805 4.0779 4.0779 5.2693 5.2693 5.2752 5.2752 6.2317 6.2317 8.1959 8.1959 9.4715 9.4715 9.5043 9.5043 9.5467 9.5467 10.0757 10.0757 10.1659 10.1659 k = 0.4359 0.5016 0.0000 ( 6436 PWs) bands (ev): -23.4690 -23.4690 -9.6573 -9.6573 -7.4029 -7.4029 -7.2659 -7.2659 -7.2206 -7.2206 -6.6828 -6.6828 -6.5752 -6.5752 -6.5650 -6.5650 -2.6665 -2.6665 0.6355 0.6355 0.6504 0.6504 0.6698 0.6698 1.1669 1.1669 1.6046 1.6046 1.9227 1.9227 2.0150 2.0150 2.1590 2.1590 2.4490 2.4490 2.4972 2.4972 2.7152 2.7152 2.8681 2.8681 2.9760 2.9760 3.0512 3.0512 3.6294 3.6294 3.7271 3.7271 3.8712 3.8712 4.0669 4.0669 5.2819 5.2819 5.2868 5.2868 6.2586 6.2586 8.1721 8.1721 9.4617 9.4617 9.4950 9.4950 9.5788 9.5788 10.0551 10.0551 10.2142 10.2142 k = 0.4487 0.5163 0.0000 ( 6420 PWs) bands (ev): -23.4690 -23.4690 -9.6547 -9.6547 -7.4088 -7.4088 -7.2712 -7.2712 -7.2229 -7.2229 -6.6807 -6.6807 -6.5738 -6.5738 -6.5604 -6.5604 -2.6612 -2.6612 0.6431 0.6431 0.6576 0.6576 0.6811 0.6811 1.1630 1.1630 1.6006 1.6006 1.9172 1.9172 2.0147 2.0147 2.1583 2.1583 2.4492 2.4492 2.4945 2.4945 2.7129 2.7129 2.8666 2.8666 2.9781 2.9781 3.0543 3.0543 3.6122 3.6122 3.7129 3.7129 3.8635 3.8635 4.0580 4.0580 5.2925 5.2925 5.2964 5.2964 6.2809 6.2809 8.1525 8.1525 9.4533 9.4533 9.4870 9.4870 9.6045 9.6045 10.0379 10.0379 10.2642 10.2642 k = 0.4615 0.5311 0.0000 ( 6420 PWs) bands (ev): -23.4690 -23.4690 -9.6525 -9.6525 -7.4136 -7.4136 -7.2752 -7.2752 -7.2247 -7.2247 -6.6791 -6.6791 -6.5727 -6.5727 -6.5567 -6.5567 -2.6571 -2.6571 0.6489 0.6489 0.6632 0.6632 0.6902 0.6902 1.1599 1.1599 1.5976 1.5976 1.9128 1.9128 2.0145 2.0145 2.1577 2.1577 2.4493 2.4493 2.4923 2.4923 2.7110 2.7110 2.8651 2.8651 2.9800 2.9800 3.0573 3.0573 3.5983 3.5983 3.7017 3.7017 3.8574 3.8574 4.0511 4.0511 5.3010 5.3010 5.3039 5.3039 6.2984 6.2984 8.1371 8.1371 9.4465 9.4465 9.4807 9.4807 9.6239 9.6239 10.0242 10.0242 10.3148 10.3148 k = 0.4744 0.5458 0.0000 ( 6440 PWs) bands (ev): -23.4690 -23.4690 -9.6510 -9.6510 -7.4171 -7.4171 -7.2780 -7.2780 -7.2260 -7.2260 -6.6780 -6.6780 -6.5719 -6.5719 -6.5541 -6.5541 -2.6542 -2.6542 0.6531 0.6531 0.6672 0.6672 0.6968 0.6968 1.1577 1.1577 1.5953 1.5953 1.9097 1.9097 2.0143 2.0143 2.1573 2.1573 2.4493 2.4493 2.4906 2.4906 2.7095 2.7095 2.8639 2.8639 2.9813 2.9813 3.0597 3.0597 3.5881 3.5881 3.6935 3.6935 3.8530 3.8530 4.0462 4.0462 5.3072 5.3072 5.3093 5.3093 6.3109 6.3109 8.1261 8.1261 9.4416 9.4416 9.4760 9.4760 9.6374 9.6374 10.0143 10.0143 10.3645 10.3645 k = 0.4872 0.5606 0.0000 ( 6448 PWs) bands (ev): -23.4690 -23.4690 -9.6501 -9.6501 -7.4193 -7.4193 -7.2797 -7.2797 -7.2268 -7.2268 -6.6773 -6.6773 -6.5714 -6.5714 -6.5525 -6.5525 -2.6524 -2.6524 0.6556 0.6556 0.6697 0.6697 0.7008 0.7008 1.1563 1.1563 1.5940 1.5940 1.9078 1.9078 2.0142 2.0142 2.1571 2.1571 2.4493 2.4493 2.4896 2.4896 2.7087 2.7087 2.8632 2.8632 2.9823 2.9823 3.0614 3.0614 3.5818 3.5818 3.6885 3.6885 3.8504 3.8504 4.0433 4.0433 5.3112 5.3112 5.3124 5.3124 6.3186 6.3186 8.1195 8.1195 9.4386 9.4386 9.4732 9.4732 9.6454 9.6454 10.0083 10.0083 10.4094 10.4094 k = 0.5000 0.5754 0.0000 ( 6452 PWs) bands (ev): -23.4690 -23.4690 -9.6498 -9.6498 -7.4200 -7.4200 -7.2802 -7.2802 -7.2271 -7.2271 -6.6771 -6.6771 -6.5712 -6.5712 -6.5519 -6.5519 -2.6518 -2.6518 0.6565 0.6565 0.6705 0.6705 0.7022 0.7022 1.1559 1.1559 1.5935 1.5935 1.9071 1.9071 2.0142 2.0142 2.1570 2.1570 2.4493 2.4493 2.4893 2.4893 2.7084 2.7084 2.8629 2.8629 2.9826 2.9826 3.0620 3.0620 3.5797 3.5797 3.6868 3.6868 3.8495 3.8495 4.0423 4.0423 5.3126 5.3126 5.3133 5.3133 6.3211 6.3211 8.1173 8.1173 9.4376 9.4376 9.4722 9.4722 9.6480 9.6480 10.0063 10.0063 10.4336 10.4336 k = 0.5000 0.5754 0.0000 ( 6452 PWs) bands (ev): -23.4690 -23.4690 -9.6498 -9.6498 -7.4200 -7.4200 -7.2802 -7.2802 -7.2271 -7.2271 -6.6771 -6.6771 -6.5712 -6.5712 -6.5519 -6.5519 -2.6518 -2.6518 0.6565 0.6565 0.6705 0.6705 0.7022 0.7022 1.1559 1.1559 1.5935 1.5935 1.9071 1.9071 2.0142 2.0142 2.1570 2.1570 2.4493 2.4493 2.4893 2.4893 2.7084 2.7084 2.8629 2.8629 2.9826 2.9826 3.0620 3.0620 3.5797 3.5797 3.6868 3.6868 3.8495 3.8495 4.0423 4.0423 5.3126 5.3126 5.3133 5.3133 6.3211 6.3211 8.1173 8.1173 9.4376 9.4376 9.4722 9.4722 9.6480 9.6480 10.0063 10.0063 10.4336 10.4336 k = 0.4894 0.5845 0.0140 ( 6444 PWs) bands (ev): -23.4690 -23.4690 -9.6499 -9.6499 -7.4214 -7.4181 -7.2814 -7.2783 -7.2267 -7.2267 -6.6810 -6.6738 -6.5722 -6.5721 -6.5549 -6.5480 -2.6515 -2.6515 0.6460 0.6580 0.6662 0.6677 0.7011 0.7106 1.1557 1.1580 1.5920 1.5976 1.9050 1.9084 2.0124 2.0163 2.1479 2.1650 2.4459 2.4532 2.4884 2.4941 2.6984 2.7182 2.8599 2.8683 2.9764 2.9889 3.0626 3.0635 3.5775 3.5786 3.6833 3.6901 3.8460 3.8523 4.0436 4.0484 5.3100 5.3105 5.3138 5.3162 6.3172 6.3192 8.1171 8.1189 9.4285 9.4293 9.4640 9.4666 9.6618 9.6644 10.0043 10.0048 10.4377 10.4379 k = 0.4789 0.5937 0.0280 ( 6440 PWs) bands (ev): -23.4690 -23.4690 -9.6503 -9.6502 -7.4222 -7.4157 -7.2820 -7.2758 -7.2256 -7.2255 -6.6856 -6.6714 -6.5751 -6.5746 -6.5569 -6.5437 -2.6508 -2.6507 0.6282 0.6483 0.6576 0.6638 0.7072 0.7193 1.1576 1.1621 1.5930 1.6041 1.9016 1.9087 2.0113 2.0189 2.1384 2.1711 2.4433 2.4577 2.4910 2.5025 2.6889 2.7271 2.8592 2.8760 2.9708 2.9949 3.0655 3.0671 3.5717 3.5733 3.6830 3.6917 3.8420 3.8547 4.0524 4.0607 5.3040 5.3043 5.3161 5.3222 6.3076 6.3115 8.1183 8.1219 9.3985 9.4000 9.4565 9.4609 9.6953 9.6996 9.9987 10.0001 10.4502 10.4509 k = 0.4683 0.6029 0.0420 ( 6440 PWs) bands (ev): -23.4690 -23.4690 -9.6509 -9.6509 -7.4225 -7.4126 -7.2820 -7.2726 -7.2237 -7.2235 -6.6906 -6.6698 -6.5796 -6.5782 -6.5580 -6.5393 -2.6495 -2.6494 0.6059 0.6277 0.6513 0.6583 0.7136 0.7258 1.1614 1.1682 1.5964 1.6126 1.8964 1.9081 2.0112 2.0221 2.1294 2.1749 2.4421 2.4633 2.4963 2.5142 2.6804 2.7345 2.8607 2.8851 2.9671 3.0005 3.0707 3.0724 3.5567 3.5669 3.6889 3.6921 3.8382 3.8572 4.0674 4.0774 5.2936 5.2944 5.3213 5.3308 6.2922 6.2980 8.1210 8.1263 9.3571 9.3592 9.4529 9.4589 9.7343 9.7398 9.9894 9.9921 10.4628 10.4723 k = 0.4578 0.6121 0.0560 ( 6442 PWs) bands (ev): -23.4690 -23.4690 -9.6519 -9.6517 -7.4222 -7.4091 -7.2814 -7.2688 -7.2210 -7.2209 -6.6962 -6.6692 -6.5850 -6.5829 -6.5589 -6.5350 -2.6478 -2.6477 0.5805 0.6030 0.6433 0.6509 0.7180 0.7296 1.1672 1.1762 1.6020 1.6228 1.8887 1.9062 2.0124 2.0261 2.1217 2.1762 2.4424 2.4703 2.5038 2.5288 2.6733 2.7403 2.8646 2.8942 2.9669 3.0059 3.0779 3.0796 3.5345 3.5571 3.6934 3.7013 3.8349 3.8606 4.0870 4.0971 5.2794 5.2807 5.3293 5.3420 6.2710 6.2785 8.1253 8.1322 9.3139 9.3167 9.4489 9.4566 9.7714 9.7777 9.9763 9.9812 10.4453 10.4810 k = 0.4472 0.6212 0.0700 ( 6448 PWs) bands (ev): -23.4690 -23.4690 -9.6530 -9.6529 -7.4214 -7.4050 -7.2802 -7.2643 -7.2176 -7.2174 -6.7022 -6.6697 -6.5911 -6.5886 -6.5596 -6.5308 -2.6457 -2.6455 0.5528 0.5757 0.6333 0.6416 0.7198 0.7306 1.1749 1.1861 1.6093 1.6342 1.8783 1.9026 2.0154 2.0310 2.1160 2.1752 2.4441 2.4787 2.5131 2.5461 2.6680 2.7444 2.8707 2.9006 2.9725 3.0115 3.0868 3.0885 3.5069 3.5427 3.6975 3.7187 3.8324 3.8654 4.1095 4.1184 5.2615 5.2634 5.3399 5.3556 6.2441 6.2532 8.1311 8.1396 9.2730 9.2766 9.4421 9.4517 9.8031 9.8101 9.9604 9.9680 10.4264 10.4691 k = 0.4366 0.6304 0.0839 ( 6456 PWs) bands (ev): -23.4690 -23.4690 -9.6544 -9.6543 -7.4202 -7.4003 -7.2784 -7.2591 -7.2134 -7.2133 -6.7087 -6.6715 -6.5976 -6.5952 -6.5601 -6.5267 -2.6434 -2.6432 0.5233 0.5464 0.6216 0.6305 0.7190 0.7290 1.1844 1.1978 1.6181 1.6464 1.8650 1.8970 2.0203 2.0367 2.1130 2.1725 2.4470 2.4879 2.5246 2.5657 2.6648 2.7472 2.8791 2.9027 2.9852 3.0176 3.0969 3.0992 3.4761 3.5237 3.7053 3.7394 3.8311 3.8720 4.1335 4.1403 5.2403 5.2426 5.3531 5.3716 6.2116 6.2220 8.1387 8.1486 9.2364 9.2407 9.4307 9.4419 9.8280 9.8354 9.9433 9.9540 10.4115 10.4592 k = 0.4261 0.6396 0.0979 ( 6448 PWs) bands (ev): -23.4690 -23.4690 -9.6561 -9.6559 -7.4185 -7.3952 -7.2761 -7.2532 -7.2084 -7.2084 -6.7155 -6.6745 -6.6044 -6.6027 -6.5606 -6.5229 -2.6409 -2.6406 0.4925 0.5154 0.6084 0.6176 0.7155 0.7248 1.1956 1.2113 1.6279 1.6590 1.8491 1.8893 2.0273 2.0428 2.1132 2.1688 2.4504 2.4970 2.5387 2.5870 2.6640 2.7493 2.8899 2.9014 3.0034 3.0250 3.1077 3.1119 3.4435 3.5009 3.7163 3.7618 3.8318 3.8805 4.1579 4.1621 5.2159 5.2187 5.3687 5.3896 6.1735 6.1850 8.1480 8.1591 9.2051 9.2101 9.4129 9.4251 9.8457 9.8534 9.9273 9.9408 10.4019 10.4538 k = 0.4155 0.6488 0.1119 ( 6442 PWs) bands (ev): -23.4690 -23.4690 -9.6580 -9.6578 -7.4162 -7.3895 -7.2733 -7.2467 -7.2027 -7.2026 -6.7226 -6.6790 -6.6115 -6.6110 -6.5608 -6.5193 -2.6384 -2.6381 0.4608 0.4834 0.5938 0.6032 0.7097 0.7181 1.2085 1.2265 1.6384 1.6716 1.8312 1.8799 2.0359 2.0482 2.1173 2.1649 2.4540 2.5053 2.5556 2.6090 2.6662 2.7509 2.8981 2.9027 3.0250 3.0339 3.1188 3.1267 3.4102 3.4756 3.7295 3.7829 3.8363 3.8912 4.1820 4.1833 5.1888 5.1921 5.3864 5.4094 6.1301 6.1425 8.1591 8.1714 9.1799 9.1853 9.3876 9.3996 9.8567 9.8646 9.9151 9.9301 10.3982 10.4538 k = 0.4155 0.6488 0.1119 ( 6442 PWs) bands (ev): -23.4690 -23.4690 -9.6580 -9.6578 -7.4162 -7.3895 -7.2733 -7.2467 -7.2027 -7.2026 -6.7226 -6.6790 -6.6115 -6.6110 -6.5608 -6.5193 -2.6384 -2.6381 0.4608 0.4834 0.5938 0.6032 0.7097 0.7181 1.2085 1.2265 1.6384 1.6716 1.8312 1.8799 2.0359 2.0482 2.1173 2.1649 2.4540 2.5053 2.5556 2.6090 2.6662 2.7509 2.8981 2.9027 3.0250 3.0339 3.1188 3.1267 3.4102 3.4756 3.7295 3.7829 3.8363 3.8912 4.1820 4.1833 5.1888 5.1921 5.3864 5.4094 6.1301 6.1425 8.1591 8.1714 9.1799 9.1853 9.3876 9.3996 9.8567 9.8646 9.9151 9.9301 10.3982 10.4538 k = 0.3989 0.6430 0.1207 ( 6441 PWs) bands (ev): -23.4690 -23.4690 -9.6595 -9.6592 -7.4142 -7.3852 -7.2709 -7.2419 -7.1987 -7.1985 -6.7274 -6.6826 -6.6174 -6.6155 -6.5611 -6.5175 -2.6372 -2.6368 0.4401 0.4624 0.5829 0.5923 0.7052 0.7131 1.2176 1.2371 1.6453 1.6796 1.8194 1.8734 2.0408 2.0523 2.1215 2.1637 2.4561 2.5102 2.5674 2.6225 2.6700 2.7518 2.8954 2.9119 3.0389 3.0408 3.1245 3.1375 3.3903 3.4599 3.7390 3.7943 3.8433 3.8997 4.1969 4.1977 5.1697 5.1734 5.3972 5.4216 6.0998 6.1126 8.1684 8.1813 9.1658 9.1713 9.3681 9.3793 9.8599 9.8677 9.9116 9.9267 10.3982 10.4555 k = 0.3823 0.6373 0.1295 ( 6437 PWs) bands (ev): -23.4690 -23.4690 -9.6613 -9.6611 -7.4112 -7.3800 -7.2678 -7.2364 -7.1941 -7.1937 -6.7327 -6.6870 -6.6243 -6.6201 -6.5617 -6.5162 -2.6367 -2.6362 0.4184 0.4402 0.5691 0.5787 0.7009 0.7079 1.2277 1.2487 1.6526 1.6880 1.8072 1.8669 2.0431 2.0591 2.1248 2.1666 2.4583 2.5151 2.5802 2.6347 2.6765 2.7529 2.8925 2.9217 3.0472 3.0537 3.1283 3.1492 3.3725 3.4457 3.7498 3.8037 3.8548 3.9102 4.2119 4.2147 5.1484 5.1524 5.4060 5.4316 6.0674 6.0803 8.1808 8.1942 9.1506 9.1562 9.3463 9.3564 9.8596 9.8669 9.9137 9.9281 10.4016 10.4598 k = 0.3657 0.6315 0.1382 ( 6431 PWs) bands (ev): -23.4690 -23.4690 -9.6636 -9.6634 -7.4072 -7.3739 -7.2639 -7.2301 -7.1890 -7.1883 -6.7384 -6.6923 -6.6316 -6.6250 -6.5628 -6.5155 -2.6368 -2.6363 0.3961 0.4173 0.5524 0.5621 0.6972 0.7031 1.2386 1.2614 1.6602 1.6966 1.7950 1.8606 2.0436 2.0670 2.1266 2.1750 2.4605 2.5199 2.5937 2.6446 2.6863 2.7541 2.8895 2.9318 3.0551 3.0671 3.1309 3.1615 3.3569 3.4331 3.7613 3.8114 3.8703 3.9228 4.2282 4.2332 5.1249 5.1293 5.4118 5.4386 6.0341 6.0469 8.1963 8.2103 9.1336 9.1392 9.3230 9.3315 9.8558 9.8625 9.9211 9.9341 10.4104 10.4690 k = 0.3490 0.6258 0.1470 ( 6424 PWs) bands (ev): -23.4690 -23.4690 -9.6662 -9.6659 -7.4023 -7.3669 -7.2593 -7.2230 -7.1833 -7.1823 -6.7445 -6.6984 -6.6394 -6.6303 -6.5641 -6.5154 -2.6375 -2.6369 0.3733 0.3938 0.5327 0.5428 0.6942 0.6989 1.2502 1.2750 1.6678 1.7053 1.7828 1.8548 2.0430 2.0737 2.1289 2.1881 2.4627 2.5248 2.6076 2.6518 2.6991 2.7553 2.8867 2.9421 3.0639 3.0794 3.1329 3.1742 3.3436 3.4218 3.7732 3.8180 3.8883 3.9372 4.2459 4.2530 5.0994 5.1042 5.4137 5.4417 6.0016 6.0141 8.2148 8.2292 9.1141 9.1194 9.2988 9.3056 9.8490 9.8553 9.9331 9.9446 10.4255 10.4843 k = 0.3324 0.6200 0.1558 ( 6427 PWs) bands (ev): -23.4690 -23.4690 -9.6691 -9.6688 -7.3966 -7.3591 -7.2540 -7.2152 -7.1772 -7.1757 -6.7511 -6.7054 -6.6477 -6.6359 -6.5657 -6.5159 -2.6387 -2.6382 0.3503 0.3700 0.5105 0.5211 0.6921 0.6956 1.2623 1.2894 1.6755 1.7138 1.7706 1.8496 2.0419 2.0772 2.1348 2.2046 2.4650 2.5297 2.6217 2.6571 2.7136 2.7568 2.8842 2.9524 3.0735 3.0903 3.1347 3.1873 3.3323 3.4119 3.7851 3.8244 3.9074 3.9532 4.2649 4.2741 5.0721 5.0773 5.4104 5.4394 5.9716 5.9837 8.2361 8.2508 9.0916 9.0963 9.2747 9.2797 9.8399 9.8459 9.9491 9.9592 10.4473 10.5059 k = 0.3158 0.6143 0.1646 ( 6423 PWs) bands (ev): -23.4690 -23.4690 -9.6722 -9.6720 -7.3901 -7.3506 -7.2479 -7.2067 -7.1706 -7.1686 -6.7581 -6.7133 -6.6563 -6.6418 -6.5676 -6.5169 -2.6405 -2.6399 0.3273 0.3462 0.4862 0.4974 0.6905 0.6930 1.2749 1.3044 1.6831 1.7217 1.7588 1.8452 2.0402 2.0769 2.1457 2.2235 2.4676 2.5347 2.6356 2.6613 2.7279 2.7590 2.8819 2.9627 3.0834 3.1002 3.1371 3.2007 3.3233 3.4031 3.7966 3.8308 3.9269 3.9705 4.2851 4.2963 5.0432 5.0487 5.4007 5.4305 5.9459 5.9577 8.2598 8.2750 9.0660 9.0697 9.2512 9.2547 9.8289 9.8349 9.9687 9.9775 10.4754 10.5335 k = 0.2992 0.6085 0.1733 ( 6414 PWs) bands (ev): -23.4690 -23.4690 -9.6756 -9.6753 -7.3829 -7.3416 -7.2412 -7.1975 -7.1636 -7.1610 -6.7656 -6.7221 -6.6651 -6.6480 -6.5697 -6.5183 -2.6428 -2.6422 0.3045 0.3226 0.4602 0.4722 0.6895 0.6912 1.2878 1.3198 1.6904 1.7286 1.7475 1.8420 2.0381 2.0742 2.1607 2.2442 2.4704 2.5398 2.6491 2.6649 2.7396 2.7638 2.8802 2.9729 3.0923 3.1103 3.1403 3.2144 3.3162 3.3954 3.8077 3.8376 3.9459 3.9886 4.3064 4.3193 5.0129 5.0187 5.3837 5.4139 5.9262 5.9376 8.2859 8.3013 9.0374 9.0400 9.2287 9.2312 9.8168 9.8228 9.9914 9.9992 10.5091 10.5665 k = 0.2825 0.6027 0.1821 ( 6415 PWs) bands (ev): -23.4690 -23.4690 -9.6791 -9.6788 -7.3751 -7.3323 -7.2338 -7.1878 -7.1562 -7.1528 -6.7734 -6.7318 -6.6742 -6.6545 -6.5720 -6.5203 -2.6455 -2.6449 0.2821 0.2994 0.4331 0.4458 0.6889 0.6899 1.3008 1.3357 1.6971 1.7328 1.7384 1.8399 2.0356 2.0706 2.1786 2.2661 2.4734 2.5448 2.6618 2.6682 2.7458 2.7732 2.8789 2.9832 3.0986 3.1222 3.1449 3.2284 3.3111 3.3885 3.8180 3.8446 3.9640 4.0070 4.3285 4.3430 4.9816 4.9876 5.3588 5.3891 5.9133 5.9245 8.3138 8.3295 9.0066 9.0080 9.2068 9.2094 9.8041 9.8102 10.0167 10.0240 10.5477 10.6043 k = 0.2659 0.5970 0.1909 ( 6408 PWs) bands (ev): -23.4690 -23.4690 -9.6827 -9.6825 -7.3668 -7.3226 -7.2257 -7.1775 -7.1485 -7.1442 -6.7818 -6.7423 -6.6834 -6.6612 -6.5743 -6.5226 -2.6486 -2.6480 0.2604 0.2768 0.4053 0.4187 0.6885 0.6893 1.3138 1.3516 1.7025 1.7264 1.7401 1.8390 2.0328 2.0669 2.1986 2.2891 2.4769 2.5500 2.6711 2.6736 2.7479 2.7858 2.8785 2.9937 3.1026 3.1357 3.1511 3.2426 3.3079 3.3824 3.8274 3.8518 3.9806 4.0252 4.3512 4.3669 4.9494 4.9557 5.3266 5.3565 5.9075 5.9186 8.3432 8.3591 8.9739 8.9751 9.1857 9.1890 9.7911 9.7973 10.0444 10.0516 10.5905 10.6460 k = 0.2493 0.5912 0.1996 ( 6408 PWs) bands (ev): -23.4690 -23.4690 -9.6864 -9.6862 -7.3581 -7.3128 -7.2169 -7.1668 -7.1406 -7.1351 -6.7905 -6.7536 -6.6926 -6.6682 -6.5768 -6.5254 -2.6520 -2.6514 0.2393 0.2551 0.3772 0.3914 0.6882 0.6893 1.3267 1.3676 1.7035 1.7214 1.7432 1.8390 2.0298 2.0636 2.2203 2.3127 2.4808 2.5550 2.6740 2.6840 2.7479 2.7986 2.8792 3.0046 3.1054 3.1477 3.1612 3.2568 3.3064 3.3770 3.8356 3.8593 3.9954 4.0427 4.3741 4.3909 4.9167 4.9232 5.2881 5.3172 5.9081 5.9193 8.3738 8.3898 8.9403 8.9426 9.1652 9.1695 9.7784 9.7846 10.0740 10.0814 10.6365 10.6907 k = 0.2327 0.5855 0.2084 ( 6410 PWs) bands (ev): -23.4690 -23.4690 -9.6902 -9.6899 -7.3491 -7.3031 -7.2074 -7.1556 -7.1325 -7.1257 -6.7997 -6.7658 -6.7018 -6.6754 -6.5793 -6.5286 -2.6557 -2.6550 0.2192 0.2344 0.3492 0.3640 0.6881 0.6895 1.3394 1.3834 1.6980 1.7226 1.7455 1.8397 2.0270 2.0608 2.2431 2.3366 2.4850 2.5600 2.6766 2.6929 2.7472 2.8102 2.8816 3.0159 3.1077 3.1562 3.1767 3.2709 3.3067 3.3722 3.8424 3.8669 4.0081 4.0590 4.3970 4.4145 4.8839 4.8905 5.2449 5.2730 5.9143 5.9254 8.4049 8.4211 8.9073 8.9108 9.1452 9.1505 9.7661 9.7724 10.1052 10.1133 10.6849 10.7375 k = 0.2161 0.5797 0.2172 ( 6410 PWs) bands (ev): -23.4691 -23.4691 -9.6939 -9.6936 -7.3398 -7.2936 -7.1973 -7.1440 -7.1243 -7.1159 -6.8093 -6.7786 -6.7108 -6.6827 -6.5818 -6.5321 -2.6595 -2.6589 0.2001 0.2149 0.3215 0.3371 0.6882 0.6899 1.3518 1.3988 1.6899 1.7255 1.7477 1.8406 2.0245 2.0587 2.2669 2.3605 2.4896 2.5647 2.6791 2.7002 2.7459 2.8195 2.8867 3.0278 3.1099 3.1637 3.1948 3.2847 3.3087 3.3681 3.8474 3.8746 4.0181 4.0737 4.4196 4.4375 4.8513 4.8580 5.1986 5.2255 5.9248 5.9359 8.4362 8.4524 8.8758 8.8804 9.1255 9.1319 9.7545 9.7610 10.1377 10.1466 10.7349 10.7856 k = 0.1994 0.5740 0.2260 ( 6406 PWs) bands (ev): -23.4691 -23.4691 -9.6975 -9.6973 -7.3303 -7.2844 -7.1865 -7.1321 -7.1160 -7.1057 -6.8193 -6.7922 -6.7196 -6.6902 -6.5842 -6.5359 -2.6634 -2.6628 0.1821 0.1968 0.2945 0.3108 0.6886 0.6905 1.3640 1.4137 1.6816 1.7272 1.7505 1.8412 2.0226 2.0569 2.2913 2.3840 2.4947 2.5693 2.6815 2.7057 2.7446 2.8257 2.8951 3.0402 3.1121 3.1717 3.2139 3.2978 3.3128 3.3649 3.8505 3.8822 4.0253 4.0864 4.4414 4.4595 4.8194 4.8260 5.1509 5.1765 5.9385 5.9496 8.4670 8.4831 8.8466 8.8522 9.1061 9.1134 9.7440 9.7505 10.1712 10.1810 10.7856 10.8340 k = 0.1828 0.5682 0.2347 ( 6407 PWs) bands (ev): -23.4691 -23.4691 -9.7010 -9.7008 -7.3208 -7.2758 -7.1752 -7.1199 -7.1080 -7.0953 -6.8298 -6.8063 -6.7281 -6.6977 -6.5865 -6.5400 -2.6674 -2.6668 0.1654 0.1801 0.2685 0.2854 0.6890 0.6911 1.3758 1.4278 1.6738 1.7270 1.7543 1.8412 2.0214 2.0555 2.3159 2.4068 2.5002 2.5736 2.6837 2.7093 2.7436 2.8289 2.9067 3.0529 3.1145 3.1806 3.2332 3.3092 3.3193 3.3632 3.8514 3.8894 4.0292 4.0965 4.4623 4.4803 4.7884 4.7950 5.1032 5.1274 5.9546 5.9653 8.4967 8.5128 8.8202 8.8267 9.0870 9.0950 9.7346 9.7412 10.2054 10.2161 10.8361 10.8817 k = 0.1662 0.5625 0.2435 ( 6415 PWs) bands (ev): -23.4691 -23.4691 -9.7044 -9.7042 -7.3113 -7.2678 -7.1633 -7.1077 -7.1001 -7.0846 -6.8407 -6.8209 -6.7361 -6.7053 -6.5885 -6.5443 -2.6712 -2.6707 0.1501 0.1649 0.2437 0.2612 0.6896 0.6917 1.3872 1.4410 1.6667 1.7250 1.7589 1.8405 2.0209 2.0543 2.3403 2.4284 2.5061 2.5775 2.6857 2.7109 2.7431 2.8295 2.9209 3.0655 3.1174 3.1907 3.2519 3.3184 3.3278 3.3641 3.8501 3.8959 4.0297 4.1038 4.4820 4.4997 4.7590 4.7654 5.0569 5.0796 5.9720 5.9824 8.5249 8.5407 8.7972 8.8044 9.0680 9.0767 9.7266 9.7331 10.2399 10.2513 10.8854 10.9277 k = 0.1496 0.5567 0.2523 ( 6417 PWs) bands (ev): -23.4691 -23.4691 -9.7075 -9.7073 -7.3020 -7.2606 -7.1510 -7.0954 -7.0924 -7.0738 -6.8520 -6.8359 -6.7436 -6.7129 -6.5903 -6.5488 -2.6750 -2.6745 0.1363 0.1514 0.2202 0.2384 0.6903 0.6924 1.3982 1.4529 1.6605 1.7219 1.7639 1.8390 2.0211 2.0532 2.3641 2.4484 2.5125 2.5810 2.6874 2.7107 2.7434 2.8284 2.9367 3.0769 3.1219 3.2018 3.2696 3.3250 3.3378 3.3690 3.8465 3.9012 4.0269 4.1079 4.5002 4.5175 4.7314 4.7377 5.0130 5.0341 5.9901 5.9999 8.5508 8.5663 8.7780 8.7855 9.0494 9.0586 9.7199 9.7264 10.2743 10.2863 10.9327 10.9711 k = 0.1330 0.5510 0.2610 ( 6426 PWs) bands (ev): -23.4691 -23.4691 -9.7104 -9.7103 -7.2929 -7.2543 -7.1384 -7.0857 -7.0827 -7.0627 -6.8638 -6.8511 -6.7503 -6.7204 -6.5918 -6.5534 -2.6786 -2.6781 0.1240 0.1396 0.1984 0.2171 0.6909 0.6930 1.4089 1.4634 1.6555 1.7178 1.7690 1.8367 2.0219 2.0521 2.3869 2.4661 2.5197 2.5841 2.6889 2.7092 2.7445 2.8259 2.9533 3.0851 3.1299 3.2136 3.2858 3.3280 3.3506 3.3774 3.8406 3.9048 4.0211 4.1088 4.5169 4.5337 4.7060 4.7122 4.9726 4.9920 6.0082 6.0173 8.5740 8.5890 8.7629 8.7705 9.0312 9.0408 9.7148 9.7211 10.3080 10.3205 10.9770 11.0108 k = 0.1163 0.5452 0.2698 ( 6425 PWs) bands (ev): -23.4691 -23.4691 -9.7131 -9.7130 -7.2841 -7.2489 -7.1258 -7.0792 -7.0705 -7.0513 -6.8761 -6.8665 -6.7562 -6.7278 -6.5928 -6.5580 -2.6819 -2.6815 0.1134 0.1296 0.1783 0.1974 0.6916 0.6936 1.4191 1.4721 1.6518 1.7130 1.7741 1.8338 2.0233 2.0509 2.4083 2.4810 2.5280 2.5868 2.6902 2.7069 2.7463 2.8224 2.9699 3.0891 3.1425 3.2256 3.3004 3.3293 3.3660 3.3875 3.8326 3.9058 4.0136 4.1063 4.5319 4.5480 4.6831 4.6894 4.9362 4.9540 6.0257 6.0340 8.5940 8.6083 8.7520 8.7593 9.0138 9.0235 9.7111 9.7171 10.3407 10.3533 11.0173 11.0460 k = 0.0997 0.5395 0.2786 ( 6422 PWs) bands (ev): -23.4691 -23.4691 -9.7155 -9.7153 -7.2758 -7.2444 -7.1133 -7.0734 -7.0583 -7.0397 -6.8891 -6.8816 -6.7612 -6.7349 -6.5935 -6.5626 -2.6849 -2.6846 0.1046 0.1214 0.1600 0.1796 0.6923 0.6941 1.4290 1.4789 1.6497 1.7077 1.7790 1.8305 2.0250 2.0496 2.4279 2.4923 2.5374 2.5889 2.6911 2.7043 2.7489 2.8181 2.9859 3.0894 3.1586 3.2370 3.3125 3.3323 3.3824 3.3979 3.8231 3.9027 4.0061 4.1007 4.5453 4.5606 4.6628 4.6695 4.9046 4.9206 6.0421 6.0494 8.6105 8.6237 8.7453 8.7520 8.9974 9.0068 9.7087 9.7142 10.3716 10.3839 11.0530 11.0762 k = 0.0831 0.5337 0.2874 ( 6420 PWs) bands (ev): -23.4691 -23.4691 -9.7175 -9.7174 -7.2681 -7.2411 -7.1015 -7.0686 -7.0462 -7.0277 -6.9032 -6.8961 -6.7651 -6.7417 -6.5936 -6.5671 -2.6876 -2.6873 0.0977 0.1151 0.1438 0.1636 0.6930 0.6945 1.4383 1.4835 1.6493 1.7019 1.7839 1.8268 2.0270 2.0482 2.4455 2.5002 2.5476 2.5905 2.6916 2.7016 2.7522 2.8131 3.0009 3.0874 3.1762 3.2468 3.3204 3.3404 3.3974 3.4085 3.8130 3.8943 4.0012 4.0922 4.5569 4.5713 4.6453 4.6527 4.8780 4.8920 6.0569 6.0632 8.6235 8.6351 8.7425 8.7481 8.9824 8.9912 9.7075 9.7124 10.4000 10.4116 11.0834 11.1009 k = 0.0665 0.5279 0.2961 ( 6420 PWs) bands (ev): -23.4691 -23.4691 -9.7192 -9.7191 -7.2610 -7.2389 -7.0905 -7.0648 -7.0340 -7.0153 -6.9183 -6.9099 -6.7678 -6.7480 -6.5932 -6.5715 -2.6898 -2.6895 0.0927 0.1107 0.1296 0.1496 0.6935 0.6948 1.4472 1.4859 1.6506 1.6956 1.7886 1.8229 2.0292 2.0466 2.4609 2.5050 2.5577 2.5915 2.6918 2.6992 2.7564 2.8074 3.0147 3.0838 3.1937 3.2538 3.3268 3.3520 3.4084 3.4200 3.8037 3.8802 4.0002 4.0815 4.5666 4.5803 4.6306 4.6391 4.8567 4.8685 6.0697 6.0748 8.6334 8.6431 8.7425 8.7468 8.9692 8.9771 9.7071 9.7113 10.4253 10.4356 11.1081 11.1200 k = 0.0499 0.5222 0.3049 ( 6421 PWs) bands (ev): -23.4691 -23.4691 -9.7206 -9.7205 -7.2547 -7.2378 -7.0809 -7.0622 -7.0215 -7.0026 -6.9339 -6.9234 -6.7693 -6.7538 -6.5922 -6.5757 -2.6916 -2.6914 0.0897 0.1080 0.1178 0.1376 0.6941 0.6950 1.4556 1.4861 1.6535 1.6891 1.7931 1.8188 2.0316 2.0448 2.4740 2.5072 2.5670 2.5917 2.6918 2.6971 2.7615 2.8012 3.0273 3.0789 3.2097 3.2568 3.3354 3.3630 3.4161 3.4305 3.7970 3.8620 4.0034 4.0693 4.5745 4.5876 4.6187 4.6286 4.8406 4.8499 6.0802 6.0841 8.6406 8.6481 8.7441 8.7472 8.9586 8.9650 9.7074 9.7107 10.4465 10.4549 11.1268 11.1336 k = 0.0332 0.5164 0.3137 ( 6417 PWs) bands (ev): -23.4691 -23.4691 -9.7215 -9.7215 -7.2493 -7.2378 -7.0731 -7.0610 -7.0084 -6.9897 -6.9496 -6.9367 -6.7695 -6.7589 -6.5907 -6.5795 -2.6928 -2.6927 0.0888 0.1051 0.1104 0.1277 0.6945 0.6952 1.4632 1.4844 1.6577 1.6824 1.7976 1.8147 2.0339 2.0428 2.4849 2.5070 2.5749 2.5910 2.6919 2.6953 2.7674 2.7946 3.0386 3.0729 3.2237 3.2558 3.3462 3.3702 3.4229 3.4373 3.7947 3.8422 4.0100 4.0561 4.5806 4.5926 4.6104 4.6207 4.8297 4.8362 6.0881 6.0907 8.6458 8.6509 8.7463 8.7482 8.9509 8.9554 9.7081 9.7103 10.4630 10.4689 11.1392 11.1423 k = 0.0166 0.5107 0.3224 ( 6409 PWs) bands (ev): -23.4691 -23.4691 -9.7221 -9.7221 -7.2448 -7.2390 -7.0672 -7.0613 -6.9946 -6.9766 -6.9650 -6.9500 -6.7685 -6.7631 -6.5886 -6.5830 -2.6936 -2.6935 0.0900 0.0987 0.1106 0.1199 0.6948 0.6952 1.4702 1.4810 1.6631 1.6757 1.8019 1.8105 2.0363 2.0408 2.4936 2.5047 2.5812 2.5892 2.6922 2.6939 2.7739 2.7877 3.0488 3.0659 3.2354 3.2516 3.3575 3.3714 3.4299 3.4390 3.7983 3.8234 4.0192 4.0430 4.5856 4.5934 4.6076 4.6148 4.8240 4.8273 6.0932 6.0945 8.6493 8.6519 8.7481 8.7490 8.9465 8.9489 9.7088 9.7100 10.4738 10.4770 11.1459 11.1470 k = 0.0000 0.5049 0.3312 ( 6410 PWs) bands (ev): -23.4691 -23.4691 -9.7223 -9.7223 -7.2414 -7.2414 -7.0633 -7.0633 -6.9802 -6.9802 -6.9632 -6.9632 -6.7664 -6.7664 -6.5860 -6.5860 -2.6938 -2.6938 0.0934 0.0934 0.1141 0.1141 0.6950 0.6950 1.4761 1.4761 1.6692 1.6692 1.8062 1.8062 2.0386 2.0386 2.5002 2.5002 2.5860 2.5860 2.6929 2.6929 2.7807 2.7807 3.0578 3.0578 3.2447 3.2447 3.3666 3.3666 3.4360 3.4360 3.8082 3.8082 4.0304 4.0304 4.5900 4.5900 4.6102 4.6102 4.8232 4.8232 6.0953 6.0953 8.6514 8.6514 8.7490 8.7490 8.9459 8.9459 9.7095 9.7095 10.4786 10.4786 11.1482 11.1482 k = 0.0000 0.5049 0.3312 ( 6410 PWs) bands (ev): -23.4691 -23.4691 -9.7223 -9.7223 -7.2414 -7.2414 -7.0633 -7.0633 -6.9802 -6.9802 -6.9632 -6.9632 -6.7664 -6.7664 -6.5860 -6.5860 -2.6938 -2.6938 0.0934 0.0934 0.1141 0.1141 0.6950 0.6950 1.4761 1.4761 1.6692 1.6692 1.8062 1.8062 2.0386 2.0386 2.5002 2.5002 2.5860 2.5860 2.6929 2.6929 2.7807 2.7807 3.0578 3.0578 3.2447 3.2447 3.3666 3.3666 3.4360 3.4360 3.8082 3.8082 4.0304 4.0304 4.5900 4.5900 4.6102 4.6102 4.8232 4.8232 6.0953 6.0953 8.6514 8.6514 8.7490 8.7490 8.9459 8.9459 9.7095 9.7095 10.4786 10.4786 11.1482 11.1482 k = 0.0104 0.4959 0.3450 ( 6414 PWs) bands (ev): -23.4691 -23.4691 -9.7222 -9.7222 -7.2439 -7.2395 -7.0659 -7.0624 -6.9865 -6.9759 -6.9642 -6.9584 -6.7706 -6.7615 -6.5865 -6.5860 -2.6934 -2.6931 0.0929 0.0930 0.1135 0.1140 0.6932 0.6940 1.4752 1.4776 1.6595 1.6783 1.7959 1.8210 2.0367 2.0382 2.4957 2.5011 2.5845 2.5904 2.6771 2.7073 2.7785 2.7856 3.0493 3.0647 3.2308 3.2569 3.3457 3.3865 3.4324 3.4431 3.8099 3.8133 4.0284 4.0327 4.5853 4.5890 4.6099 4.6100 4.8236 4.8297 6.0928 6.0931 8.6365 8.6377 8.7621 8.7631 8.9467 8.9468 9.7070 9.7071 10.4746 10.4808 11.1265 11.1300 k = 0.0208 0.4868 0.3588 ( 6412 PWs) bands (ev): -23.4691 -23.4691 -9.7220 -9.7220 -7.2471 -7.2384 -7.0700 -7.0631 -6.9945 -6.9719 -6.9616 -6.9518 -6.7740 -6.7561 -6.5874 -6.5864 -2.6919 -2.6913 0.0918 0.0920 0.1121 0.1130 0.6886 0.6901 1.4748 1.4796 1.6505 1.6855 1.7916 1.8389 2.0328 2.0357 2.4886 2.4984 2.5854 2.5962 2.6629 2.7171 2.7818 2.7915 3.0397 3.0694 3.2165 3.2631 3.3294 3.4029 3.4321 3.4543 3.8185 3.8249 4.0268 4.0350 4.5761 4.5834 4.6083 4.6089 4.8309 4.8422 6.0854 6.0861 8.6056 8.6074 8.7906 8.7921 8.9492 8.9494 9.6999 9.6999 10.4689 10.4812 11.0872 11.0922 k = 0.0312 0.4778 0.3726 ( 6416 PWs) bands (ev): -23.4691 -23.4691 -9.7216 -9.7216 -7.2508 -7.2381 -7.0755 -7.0654 -7.0029 -6.9672 -6.9564 -6.9451 -6.7764 -6.7503 -6.5888 -6.5873 -2.6892 -2.6884 0.0899 0.0902 0.1100 0.1112 0.6814 0.6836 1.4749 1.4821 1.6426 1.6891 1.7946 1.8593 2.0269 2.0311 2.4801 2.4931 2.5876 2.5988 2.6548 2.7207 2.7921 2.7975 3.0298 3.0714 3.2024 3.2545 3.3274 3.4151 3.4351 3.4695 3.8339 3.8426 4.0257 4.0371 4.5641 4.5746 4.6041 4.6064 4.8444 4.8594 6.0734 6.0744 8.5697 8.5719 8.8230 8.8248 8.9531 8.9535 9.6882 9.6883 10.4615 10.4796 11.0433 11.0492 k = 0.0417 0.4687 0.3864 ( 6418 PWs) bands (ev): -23.4691 -23.4691 -9.7210 -9.7210 -7.2549 -7.2386 -7.0819 -7.0690 -7.0110 -6.9615 -6.9496 -6.9390 -6.7775 -6.7444 -6.5906 -6.5885 -2.6855 -2.6844 0.0872 0.0876 0.1071 0.1087 0.6718 0.6746 1.4756 1.4852 1.6360 1.6887 1.8048 1.8815 2.0191 2.0245 2.4713 2.4861 2.5899 2.5933 2.6568 2.7201 2.8032 2.8077 3.0202 3.0707 3.1886 3.2326 3.3391 3.4242 3.4413 3.4872 3.8557 3.8655 4.0251 4.0388 4.5509 4.5637 4.5975 4.6022 4.8627 4.8801 6.0568 6.0581 8.5327 8.5352 8.8555 8.8577 8.9584 8.9589 9.6726 9.6727 10.4526 10.4760 10.9970 11.0038 k = 0.0521 0.4597 0.4002 ( 6416 PWs) bands (ev): -23.4691 -23.4691 -9.7203 -9.7203 -7.2594 -7.2399 -7.0891 -7.0741 -7.0179 -6.9551 -6.9415 -6.9336 -6.7775 -6.7383 -6.5928 -6.5903 -2.6808 -2.6795 0.0839 0.0844 0.1035 0.1055 0.6603 0.6637 1.4767 1.4888 1.6307 1.6856 1.8206 1.9046 2.0096 2.0161 2.4628 2.4782 2.5816 2.5916 2.6665 2.7180 2.8086 2.8256 3.0116 3.0673 3.1752 3.2057 3.3571 3.4318 3.4504 3.5062 3.8830 3.8931 4.0249 4.0401 4.5372 4.5516 4.5889 4.5961 4.8845 4.9034 6.0357 6.0373 8.4959 8.4988 8.8869 8.8895 8.9646 8.9654 9.6536 9.6538 10.4422 10.4705 10.9492 10.9568 k = 0.0625 0.4506 0.4140 ( 6414 PWs) bands (ev): -23.4691 -23.4691 -9.7195 -9.7195 -7.2642 -7.2420 -7.0967 -7.0807 -7.0233 -6.9489 -6.9326 -6.9286 -6.7761 -6.7323 -6.5955 -6.5924 -2.6751 -2.6736 0.0800 0.0806 0.0992 0.1015 0.6471 0.6510 1.4784 1.4930 1.6265 1.6811 1.8399 1.9280 1.9988 2.0063 2.4550 2.4700 2.5676 2.5921 2.6791 2.7163 2.8135 2.8442 3.0042 3.0612 3.1624 3.1782 3.3783 3.4391 3.4624 3.5257 3.9151 3.9243 4.0252 4.0413 4.5237 4.5388 4.5786 4.5882 4.9088 4.9284 6.0103 6.0124 8.4603 8.4636 8.9162 8.9195 8.9715 8.9726 9.6318 9.6322 10.4306 10.4632 10.9002 10.9085 k = 0.0729 0.4416 0.4278 ( 6410 PWs) bands (ev): -23.4691 -23.4691 -9.7186 -9.7185 -7.2691 -7.2447 -7.1045 -7.0885 -7.0271 -6.9437 -6.9231 -6.9230 -6.7735 -6.7264 -6.5985 -6.5949 -2.6687 -2.6669 0.0754 0.0761 0.0944 0.0970 0.6328 0.6371 1.4807 1.4978 1.6234 1.6762 1.8608 1.9497 1.9871 1.9965 2.4481 2.4618 2.5534 2.5912 2.6920 2.7156 2.8183 2.8623 2.9986 3.0522 3.1504 3.1525 3.4013 3.4471 3.4771 3.5453 3.9507 3.9572 4.0263 4.0435 4.5105 4.5257 4.5668 4.5784 4.9346 4.9544 5.9809 5.9833 8.4267 8.4303 8.9429 8.9473 8.9786 8.9803 9.6080 9.6085 10.4181 10.4544 10.8506 10.8596 k = 0.0833 0.4325 0.4416 ( 6418 PWs) bands (ev): -23.4691 -23.4691 -9.7175 -9.7175 -7.2742 -7.2481 -7.1125 -7.0973 -7.0294 -6.9407 -6.9160 -6.9130 -6.7698 -6.7207 -6.6020 -6.5979 -2.6614 -2.6595 0.0704 0.0711 0.0891 0.0919 0.6177 0.6224 1.4835 1.5031 1.6210 1.6714 1.8816 1.9620 1.9752 1.9940 2.4420 2.4539 2.5399 2.5892 2.7038 2.7163 2.8228 2.8790 2.9950 3.0398 3.1306 3.1393 3.4257 3.4564 3.4945 3.5650 3.9867 3.9868 4.0301 4.0513 4.4976 4.5125 4.5537 4.5669 4.9614 4.9810 5.9476 5.9504 8.3954 8.3994 8.9659 8.9720 8.9858 8.9886 9.5827 9.5836 10.4053 10.4447 10.8010 10.8106 k = 0.0938 0.4235 0.4554 ( 6410 PWs) bands (ev): -23.4691 -23.4691 -9.7164 -9.7164 -7.2792 -7.2521 -7.1205 -7.1068 -7.0304 -6.9398 -6.9075 -6.9026 -6.7653 -6.7153 -6.6058 -6.6012 -2.6536 -2.6515 0.0648 0.0656 0.0833 0.0862 0.6022 0.6072 1.4869 1.5089 1.6193 1.6670 1.8997 1.9552 1.9653 2.0085 2.4368 2.4464 2.5274 2.5863 2.7137 2.7183 2.8273 2.8931 2.9936 3.0246 3.1140 3.1292 3.4508 3.4675 3.5146 3.5848 4.0029 4.0108 4.0485 4.0741 4.4849 4.4991 4.5396 4.5539 4.9884 5.0078 5.9107 5.9139 8.3671 8.3714 8.9827 8.9890 8.9969 8.9993 9.5566 9.5580 10.3928 10.4346 10.7523 10.7624 k = 0.1042 0.4144 0.4692 ( 6406 PWs) bands (ev): -23.4691 -23.4691 -9.7152 -9.7152 -7.2842 -7.2565 -7.1284 -7.1164 -7.0304 -6.9405 -6.8978 -6.8920 -6.7602 -6.7103 -6.6100 -6.6049 -2.6452 -2.6431 0.0589 0.0598 0.0772 0.0802 0.5867 0.5918 1.4908 1.5153 1.6181 1.6631 1.9093 1.9406 1.9626 2.0279 2.4324 2.4396 2.5161 2.5829 2.7212 2.7215 2.8314 2.9027 2.9945 3.0089 3.1028 3.1202 3.4763 3.4807 3.5375 3.6049 4.0057 4.0164 4.0867 4.1113 4.4723 4.4856 4.5251 4.5396 5.0154 5.0342 5.8705 5.8742 8.3421 8.3466 8.9917 8.9951 9.0132 9.0145 9.5302 9.5323 10.3814 10.4250 10.7053 10.7157 k = 0.1146 0.4054 0.4830 ( 6410 PWs) bands (ev): -23.4691 -23.4691 -9.7140 -9.7140 -7.2891 -7.2612 -7.1361 -7.1260 -7.0297 -6.9423 -6.8875 -6.8812 -6.7547 -6.7056 -6.6145 -6.6090 -2.6365 -2.6343 0.0527 0.0537 0.0708 0.0739 0.5714 0.5766 1.4953 1.5222 1.6174 1.6597 1.9052 1.9237 1.9719 2.0468 2.4288 2.4336 2.5062 2.5792 2.7246 2.7271 2.8349 2.9046 2.9974 2.9977 3.0959 3.1126 3.4964 3.5019 3.5632 3.6253 4.0030 4.0174 4.1296 4.1545 4.4594 4.4718 4.5108 4.5245 5.0418 5.0600 5.8273 5.8313 8.3207 8.3255 8.9962 8.9987 9.0262 9.0294 9.5041 9.5069 10.3718 10.4165 10.6608 10.6715 k = 0.1250 0.3963 0.4968 ( 6410 PWs) bands (ev): -23.4691 -23.4691 -9.7127 -9.7127 -7.2938 -7.2662 -7.1435 -7.1354 -7.0283 -6.9450 -6.8768 -6.8703 -6.7491 -6.7015 -6.6193 -6.6133 -2.6276 -2.6253 0.0463 0.0473 0.0643 0.0673 0.5566 0.5618 1.5004 1.5295 1.6169 1.6568 1.8930 1.9056 1.9876 2.0640 2.4259 2.4284 2.4978 2.5756 2.7283 2.7305 2.8377 2.8966 2.9939 3.0031 3.0924 3.1062 3.5147 3.5277 3.5913 3.6460 3.9982 4.0176 4.1716 4.1990 4.4463 4.4578 4.4983 4.5096 5.0675 5.0848 5.7814 5.7858 8.3032 8.3083 8.9982 9.0005 9.0361 9.0404 9.4785 9.4822 10.3647 10.4098 10.6197 10.6306 k = 0.1354 0.3873 0.5106 ( 6410 PWs) bands (ev): -23.4691 -23.4691 -9.7115 -9.7114 -7.2983 -7.2714 -7.1506 -7.1442 -7.0264 -6.9481 -6.8659 -6.8594 -6.7434 -6.6979 -6.6243 -6.6179 -2.6186 -2.6163 0.0398 0.0409 0.0578 0.0607 0.5425 0.5477 1.5060 1.5373 1.6166 1.6545 1.8778 1.8868 2.0044 2.0788 2.4236 2.4242 2.4909 2.5720 2.7316 2.7319 2.8395 2.8814 2.9970 3.0102 3.0913 3.1012 3.5358 3.5540 3.6213 3.6669 3.9928 4.0179 4.2091 4.2407 4.4333 4.4431 4.4904 4.4970 5.0919 5.1084 5.7332 5.7378 8.2897 8.2949 8.9980 9.0005 9.0420 9.0471 9.4538 9.4583 10.3608 10.4056 10.5827 10.5937 k = 0.1458 0.3782 0.5244 ( 6412 PWs) bands (ev): -23.4691 -23.4691 -9.7102 -9.7102 -7.3024 -7.2766 -7.1573 -7.1526 -7.0241 -6.9516 -6.8548 -6.8486 -6.7380 -6.6950 -6.6294 -6.6227 -2.6097 -2.6075 0.0334 0.0345 0.0513 0.0540 0.5294 0.5344 1.5120 1.5454 1.6166 1.6527 1.8613 1.8676 2.0205 2.0913 2.4209 2.4220 2.4856 2.5684 2.7317 2.7341 2.8405 2.8635 3.0035 3.0185 3.0920 3.0974 3.5596 3.5811 3.6522 3.6880 3.9877 4.0187 4.2371 4.2740 4.4207 4.4272 4.4909 4.4919 5.1150 5.1305 5.6828 5.6877 8.2802 8.2856 8.9960 8.9988 9.0437 9.0495 9.4302 9.4355 10.3603 10.4041 10.5505 10.5613 k = 0.1562 0.3691 0.5382 ( 6414 PWs) bands (ev): -23.4691 -23.4691 -9.7090 -9.7090 -7.3062 -7.2819 -7.1636 -7.1602 -7.0216 -6.9553 -6.8437 -6.8378 -6.7329 -6.6929 -6.6345 -6.6277 -2.6010 -2.5989 0.0271 0.0282 0.0450 0.0475 0.5173 0.5221 1.5186 1.5536 1.6170 1.6515 1.8442 1.8482 2.0353 2.1012 2.4185 2.4209 2.4818 2.5649 2.7298 2.7350 2.8409 2.8464 3.0109 3.0273 3.0941 3.0948 3.5861 3.6092 3.6833 3.7088 3.9838 4.0207 4.2511 4.2912 4.4080 4.4095 4.4992 4.5073 5.1364 5.1509 5.6309 5.6359 8.2746 8.2800 8.9924 8.9956 9.0414 9.0476 9.4080 9.4137 10.3634 10.4054 10.5234 10.5338 k = 0.1667 0.3601 0.5520 ( 6404 PWs) bands (ev): -23.4691 -23.4691 -9.7079 -9.7079 -7.3095 -7.2870 -7.1693 -7.1671 -7.0188 -6.9592 -6.8327 -6.8273 -6.7284 -6.6917 -6.6394 -6.6326 -2.5927 -2.5907 0.0212 0.0222 0.0390 0.0413 0.5063 0.5108 1.5256 1.5617 1.6178 1.6509 1.8270 1.8290 2.0486 2.1088 2.4170 2.4203 2.4797 2.5613 2.7267 2.7334 2.8323 2.8407 3.0184 3.0361 3.0935 3.0971 3.6151 3.6385 3.7134 3.7290 3.9819 4.0243 4.2504 4.2892 4.3899 4.3931 4.5264 4.5373 5.1560 5.1694 5.5776 5.5828 8.2727 8.2780 8.9877 8.9912 9.0352 9.0416 9.3872 9.3933 10.3698 10.4093 10.5016 10.5113 k = 0.1771 0.3510 0.5658 ( 6410 PWs) bands (ev): -23.4691 -23.4691 -9.7068 -9.7068 -7.3123 -7.2920 -7.1746 -7.1733 -7.0157 -6.9632 -6.8219 -6.8170 -6.7245 -6.6916 -6.6439 -6.6375 -2.5850 -2.5832 0.0156 0.0165 0.0335 0.0355 0.4966 0.5007 1.5328 1.5694 1.6195 1.6510 1.8098 1.8101 2.0604 2.1142 2.4162 2.4200 2.4791 2.5574 2.7224 2.7289 2.8227 2.8401 3.0256 3.0442 3.0932 3.1003 3.6460 3.6686 3.7413 3.7483 3.9831 4.0297 4.2383 4.2731 4.3685 4.3752 4.5679 4.5781 5.1736 5.1858 5.5237 5.5289 8.2739 8.2791 8.9823 8.9860 9.0259 9.0322 9.3681 9.3742 10.3792 10.4153 10.4849 10.4937 k = 0.1875 0.3420 0.5796 ( 6410 PWs) bands (ev): -23.4691 -23.4691 -9.7059 -9.7058 -7.3147 -7.2968 -7.1792 -7.1786 -7.0126 -6.9673 -6.8115 -6.8072 -6.7213 -6.6927 -6.6479 -6.6421 -2.5780 -2.5763 0.0105 0.0114 0.0284 0.0301 0.4881 0.4917 1.5403 1.5759 1.6225 1.6519 1.7918 1.7929 2.0707 2.1177 2.4160 2.4200 2.4801 2.5531 2.7175 2.7218 2.8175 2.8392 3.0323 3.0511 3.0940 3.1036 3.6781 3.6993 3.7659 3.7664 3.9884 4.0372 4.2193 4.2491 4.3457 4.3551 4.6167 4.6252 5.1889 5.1999 5.4697 5.4749 8.2778 8.2827 8.9767 8.9804 9.0141 9.0201 9.3509 9.3568 10.3908 10.4228 10.4730 10.4805 k = 0.1979 0.3329 0.5934 ( 6408 PWs) bands (ev): -23.4691 -23.4691 -9.7050 -9.7050 -7.3165 -7.3012 -7.1832 -7.1830 -7.0092 -6.9713 -6.8015 -6.7979 -6.7190 -6.6950 -6.6510 -6.6463 -2.5717 -2.5703 0.0060 0.0068 0.0239 0.0254 0.4810 0.4841 1.5477 1.5807 1.6273 1.6535 1.7744 1.7764 2.0798 2.1194 2.4162 2.4200 2.4827 2.5482 2.7121 2.7135 2.8159 2.8380 3.0384 3.0563 3.0959 3.1066 3.7101 3.7298 3.7835 3.7863 3.9986 4.0464 4.1969 4.2211 4.3217 4.3336 4.6683 4.6750 5.2019 5.2117 5.4165 5.4216 8.2836 8.2881 8.9712 8.9748 9.0009 9.0064 9.3358 9.3413 10.4036 10.4308 10.4653 10.4712 k = 0.2083 0.3239 0.6072 ( 6410 PWs) bands (ev): -23.4691 -23.4691 -9.7043 -9.7043 -7.3177 -7.3053 -7.1867 -7.1866 -7.0058 -6.9753 -6.7922 -6.7894 -6.7176 -6.6985 -6.6534 -6.6499 -2.5664 -2.5652 0.0022 0.0029 0.0202 0.0214 0.4752 0.4777 1.5549 1.5834 1.6342 1.6561 1.7581 1.7605 2.0877 2.1197 2.4167 2.4201 2.4867 2.5425 2.7056 2.7066 2.8166 2.8364 3.0439 3.0598 3.0986 3.1090 3.7399 3.7583 3.8003 3.8029 4.0135 4.0560 4.1743 4.1915 4.2972 4.3112 4.7196 4.7247 5.2122 5.2209 5.3656 5.3707 8.2904 8.2943 8.9663 8.9696 8.9878 8.9924 9.3232 9.3279 10.4168 10.4382 10.4610 10.4649 k = 0.2188 0.3148 0.6210 ( 6420 PWs) bands (ev): -23.4691 -23.4691 -9.7037 -9.7037 -7.3183 -7.3088 -7.1894 -7.1892 -7.0023 -6.9794 -6.7839 -6.7819 -6.7169 -6.7028 -6.6550 -6.6527 -2.5622 -2.5613 -0.0008 -0.0003 0.0172 0.0181 0.4708 0.4727 1.5618 1.5842 1.6426 1.6594 1.7435 1.7458 2.0945 2.1187 2.4173 2.4201 2.4920 2.5360 2.6990 2.7015 2.8186 2.8345 3.0488 3.0615 3.1018 3.1105 3.7644 3.7810 3.8183 3.8184 4.0312 4.0634 4.1553 4.1632 4.2735 4.2889 4.7679 4.7715 5.2192 5.2268 5.3195 5.3245 8.2973 8.3005 8.9621 8.9651 8.9760 8.9794 9.3133 9.3170 10.4292 10.4440 10.4595 10.4608 k = 0.2292 0.3058 0.6348 ( 6434 PWs) bands (ev): -23.4691 -23.4691 -9.7033 -9.7033 -7.3183 -7.3119 -7.1914 -7.1912 -6.9986 -6.9833 -6.7771 -6.7759 -6.7166 -6.7073 -6.6560 -6.6547 -2.5590 -2.5584 -0.0030 -0.0026 0.0151 0.0157 0.4677 0.4690 1.5679 1.5833 1.6516 1.6629 1.7312 1.7329 2.1005 2.1167 2.4180 2.4200 2.4984 2.5289 2.6945 2.6971 2.8212 2.8323 3.0530 3.0619 3.1049 3.1112 3.7813 3.7938 3.8358 3.8373 4.0480 4.0653 4.1405 4.1435 4.2530 4.2678 4.8093 4.8117 5.2214 5.2276 5.2832 5.2877 8.3034 8.3056 8.9587 8.9612 8.9670 8.9690 9.3062 9.3088 10.4397 10.4478 10.4584 10.4595 k = 0.2396 0.2967 0.6486 ( 6430 PWs) bands (ev): -23.4691 -23.4691 -9.7031 -9.7031 -7.3176 -7.3144 -7.1925 -7.1924 -6.9949 -6.9873 -6.7725 -6.7719 -6.7160 -6.7114 -6.6565 -6.6560 -2.5570 -2.5567 -0.0043 -0.0041 0.0138 0.0141 0.4660 0.4666 1.5733 1.5811 1.6598 1.6656 1.7224 1.7233 2.1057 2.1138 2.4187 2.4197 2.5056 2.5212 2.6922 2.6939 2.8241 2.8298 3.0565 3.0610 3.1077 3.1109 3.7916 3.7980 3.8513 3.8527 4.0579 4.0623 4.1299 4.1377 4.2401 4.2500 4.8387 4.8399 5.2179 5.2212 5.2641 5.2665 8.3076 8.3088 8.9562 8.9578 8.9621 8.9627 9.3022 9.3035 10.4472 10.4500 10.4573 10.4593 k = 0.2500 0.2877 0.6624 ( 6432 PWs) bands (ev): -23.4691 -23.4691 -9.7030 -9.7030 -7.3163 -7.3163 -7.1929 -7.1929 -6.9911 -6.9911 -6.7707 -6.7707 -6.7144 -6.7144 -6.6565 -6.6565 -2.5563 -2.5563 -0.0046 -0.0046 0.0135 0.0135 0.4656 0.4656 1.5777 1.5777 1.6650 1.6650 1.7193 1.7193 2.1101 2.1101 2.4193 2.4193 2.5133 2.5133 2.6921 2.6921 2.8270 2.8270 3.0592 3.0592 3.1097 3.1097 3.7969 3.7969 3.8581 3.8581 4.0601 4.0601 4.1322 4.1322 4.2393 4.2393 4.8499 4.8499 5.2152 5.2152 5.2603 5.2603 8.3095 8.3095 8.9556 8.9556 8.9608 8.9608 9.3013 9.3013 10.4504 10.4504 10.4580 10.4580 k = 0.2500 0.2877 0.6624 ( 6432 PWs) bands (ev): -23.4691 -23.4691 -9.7030 -9.7030 -7.3163 -7.3163 -7.1929 -7.1929 -6.9911 -6.9911 -6.7707 -6.7707 -6.7144 -6.7144 -6.6565 -6.6565 -2.5563 -2.5563 -0.0046 -0.0046 0.0135 0.0135 0.4656 0.4656 1.5777 1.5777 1.6650 1.6650 1.7193 1.7193 2.1101 2.1101 2.4193 2.4193 2.5133 2.5133 2.6921 2.6921 2.8270 2.8270 3.0592 3.0592 3.1097 3.1097 3.7969 3.7969 3.8581 3.8581 4.0601 4.0601 4.1322 4.1322 4.2393 4.2393 4.8499 4.8499 5.2152 5.2152 5.2603 5.2603 8.3095 8.3095 8.9556 8.9556 8.9608 8.9608 9.3013 9.3013 10.4504 10.4504 10.4580 10.4580 k = 0.2583 0.2973 0.6478 ( 6426 PWs) bands (ev): -23.4691 -23.4691 -9.7030 -9.7030 -7.3176 -7.3152 -7.1926 -7.1922 -6.9947 -6.9888 -6.7720 -6.7702 -6.7164 -6.7115 -6.6564 -6.6562 -2.5568 -2.5565 -0.0145 -0.0142 0.0237 0.0241 0.4658 0.4664 1.5745 1.5797 1.6617 1.6662 1.7207 1.7217 2.1069 2.1131 2.4187 2.4194 2.5075 2.5194 2.6919 2.6932 2.8253 2.8292 3.0567 3.0598 3.1089 3.1116 3.7922 3.7982 3.8548 3.8551 4.0580 4.0602 4.1309 4.1363 4.2378 4.2467 4.8435 4.8448 5.2120 5.2144 5.2678 5.2691 8.3089 8.3097 8.9504 8.9514 8.9671 8.9671 9.3020 9.3030 10.4052 10.4077 10.4999 10.5032 k = 0.2667 0.3069 0.6332 ( 6426 PWs) bands (ev): -23.4691 -23.4691 -9.7031 -9.7031 -7.3190 -7.3143 -7.1918 -7.1904 -6.9998 -6.9874 -6.7752 -6.7694 -6.7189 -6.7062 -6.6554 -6.6554 -2.5580 -2.5576 -0.0292 -0.0286 0.0404 0.0412 0.4669 0.4680 1.5706 1.5793 1.6571 1.6670 1.7244 1.7275 2.1032 2.1158 2.4180 2.4190 2.5018 2.5255 2.6926 2.6953 2.8241 2.8313 3.0528 3.0584 3.1088 3.1145 3.7810 3.7969 3.8458 3.8495 4.0449 4.0599 4.1396 4.1405 4.2420 4.2592 4.8259 4.8297 5.2138 5.2177 5.2830 5.2855 8.3079 8.3096 8.9440 8.9456 8.9774 8.9776 9.3049 9.3069 10.3599 10.3644 10.5423 10.5484 k = 0.2750 0.3164 0.6186 ( 6421 PWs) bands (ev): -23.4691 -23.4691 -9.7031 -9.7031 -7.3206 -7.3138 -7.1904 -7.1873 -7.0062 -6.9868 -6.7800 -6.7686 -6.7213 -6.6993 -6.6544 -6.6537 -2.5599 -2.5592 -0.0435 -0.0426 0.0584 0.0596 0.4688 0.4705 1.5657 1.5762 1.6525 1.6691 1.7295 1.7351 2.0991 2.1182 2.4171 2.4182 2.4963 2.5313 2.6942 2.6982 2.8234 2.8335 3.0479 3.0553 3.1091 3.1181 3.7623 3.7916 3.8339 3.8459 4.0211 4.0544 4.1476 4.1570 4.2514 4.2746 4.8001 4.8071 5.2239 5.2284 5.3002 5.3041 8.3067 8.3091 8.9377 8.9399 8.9898 8.9902 9.3096 9.3125 10.3191 10.3251 10.5813 10.5898 k = 0.2833 0.3260 0.6039 ( 6411 PWs) bands (ev): -23.4691 -23.4691 -9.7031 -9.7031 -7.3225 -7.3136 -7.1888 -7.1829 -7.0138 -6.9867 -6.7857 -6.7686 -6.7231 -6.6912 -6.6530 -6.6513 -2.5623 -2.5614 -0.0566 -0.0554 0.0772 0.0789 0.4714 0.4738 1.5598 1.5703 1.6485 1.6731 1.7352 1.7437 2.0944 2.1201 2.4162 2.4170 2.4911 2.5366 2.6966 2.7018 2.8231 2.8362 3.0424 3.0509 3.1095 3.1221 3.7377 3.7795 3.8245 3.8441 3.9904 4.0407 4.1593 4.1783 4.2643 4.2917 4.7699 4.7804 5.2407 5.2451 5.3180 5.3235 8.3055 8.3084 8.9311 8.9338 9.0041 9.0046 9.3157 9.3194 10.2836 10.2908 10.6168 10.6271 k = 0.2917 0.3356 0.5893 ( 6404 PWs) bands (ev): -23.4691 -23.4691 -9.7031 -9.7031 -7.3246 -7.3139 -7.1872 -7.1774 -7.0225 -6.9870 -6.7922 -6.7703 -6.7235 -6.6824 -6.6513 -6.6483 -2.5651 -2.5641 -0.0681 -0.0666 0.0966 0.0988 0.4748 0.4779 1.5528 1.5623 1.6457 1.6791 1.7412 1.7528 2.0892 2.1213 2.4152 2.4153 2.4863 2.5409 2.6996 2.7060 2.8232 2.8395 3.0364 3.0454 3.1100 3.1261 3.7092 3.7601 3.8193 3.8426 3.9559 4.0193 4.1742 4.2004 4.2794 4.3097 4.7383 4.7524 5.2620 5.2658 5.3359 5.3432 8.3045 8.3078 8.9239 8.9270 9.0201 9.0206 9.3227 9.3270 10.2539 10.2619 10.6484 10.6601 k = 0.3000 0.3452 0.5747 ( 6406 PWs) bands (ev): -23.4691 -23.4691 -9.7030 -9.7030 -7.3269 -7.3145 -7.1858 -7.1710 -7.0321 -6.9871 -6.7991 -6.7739 -6.7223 -6.6736 -6.6491 -6.6447 -2.5682 -2.5671 -0.0779 -0.0761 0.1165 0.1193 0.4788 0.4826 1.5447 1.5526 1.6440 1.6865 1.7473 1.7621 2.0833 2.1219 2.4130 2.4141 2.4821 2.5442 2.7027 2.7104 2.8236 2.8438 3.0302 3.0390 3.1104 3.1300 3.6783 3.7364 3.8166 3.8388 3.9208 3.9921 4.1903 4.2217 4.2952 4.3279 4.7082 4.7253 5.2860 5.2890 5.3537 5.3629 8.3041 8.3077 8.9155 8.9190 9.0375 9.0380 9.3301 9.3349 10.2301 10.2384 10.6759 10.6885 k = 0.3083 0.3548 0.5601 ( 6400 PWs) bands (ev): -23.4691 -23.4691 -9.7027 -9.7027 -7.3294 -7.3156 -7.1848 -7.1638 -7.0424 -6.9868 -6.8064 -6.7796 -6.7195 -6.6652 -6.6459 -6.6406 -2.5715 -2.5703 -0.0857 -0.0836 0.1368 0.1402 0.4835 0.4880 1.5358 1.5419 1.6434 1.6948 1.7533 1.7714 2.0767 2.1215 2.4101 2.4129 2.4785 2.5463 2.7057 2.7150 2.8242 2.8495 3.0238 3.0319 3.1108 3.1337 3.6459 3.7106 3.8148 3.8266 3.8914 3.9607 4.2061 4.2414 4.3108 4.3456 4.6813 4.7007 5.3117 5.3137 5.3712 5.3824 8.3045 8.3082 8.9055 8.9092 9.0562 9.0566 9.3378 9.3428 10.2118 10.2200 10.6991 10.7120 k = 0.3167 0.3644 0.5455 ( 6405 PWs) bands (ev): -23.4691 -23.4691 -9.7024 -9.7024 -7.3321 -7.3168 -7.1845 -7.1562 -7.0530 -6.9858 -6.8139 -6.7868 -6.7156 -6.6583 -6.6410 -6.6361 -2.5750 -2.5737 -0.0913 -0.0889 0.1575 0.1615 0.4887 0.4940 1.5261 1.5305 1.6436 1.7038 1.7593 1.7807 2.0693 2.1201 2.4064 2.4116 2.4756 2.5471 2.7082 2.7197 2.8250 2.8567 3.0173 3.0241 3.1110 3.1372 3.6125 3.6839 3.7987 3.8129 3.8759 3.9261 4.2208 4.2589 4.3248 4.3617 4.6593 4.6801 5.3382 5.3392 5.3882 5.4016 8.3061 8.3098 8.8936 8.8974 9.0759 9.0762 9.3455 9.3506 10.1981 10.2058 10.7176 10.7304 k = 0.3250 0.3740 0.5309 ( 6402 PWs) bands (ev): -23.4691 -23.4691 -9.7019 -9.7019 -7.3349 -7.3183 -7.1852 -7.1488 -7.0635 -6.9838 -6.8215 -6.7952 -6.7111 -6.6533 -6.6342 -6.6312 -2.5785 -2.5771 -0.0947 -0.0920 0.1784 0.1830 0.4946 0.5006 1.5158 1.5186 1.6447 1.7131 1.7652 1.7900 2.0611 2.1176 2.4020 2.4101 2.4736 2.5465 2.7099 2.7245 2.8258 2.8655 3.0108 3.0159 3.1112 3.1403 3.5784 3.6568 3.7594 3.8102 3.8705 3.8899 4.2339 4.2740 4.3355 4.3748 4.6440 4.6649 5.3650 5.3651 5.4045 5.4202 8.3093 8.3128 8.8795 8.8834 9.0965 9.0966 9.3534 9.3583 10.1877 10.1944 10.7309 10.7434 k = 0.3333 0.3836 0.5162 ( 6414 PWs) bands (ev): -23.4691 -23.4691 -9.7013 -9.7013 -7.3378 -7.3200 -7.1870 -7.1424 -7.0732 -6.9809 -6.8292 -6.8044 -6.7063 -6.6498 -6.6260 -6.6259 -2.5820 -2.5805 -0.0957 -0.0928 0.1994 0.2048 0.5009 0.5077 1.5051 1.5064 1.6464 1.7224 1.7709 1.7993 2.0519 2.1138 2.3968 2.4084 2.4722 2.5444 2.7108 2.7292 2.8264 2.8756 3.0043 3.0074 3.1112 3.1430 3.5438 3.6297 3.7162 3.8050 3.8546 3.8687 4.2449 4.2865 4.3415 4.3833 4.6368 4.6569 5.3907 5.3919 5.4200 5.4381 8.3141 8.3174 8.8633 8.8671 9.1177 9.1179 9.3614 9.3661 10.1793 10.1845 10.7388 10.7507 k = 0.3417 0.3932 0.5016 ( 6412 PWs) bands (ev): -23.4691 -23.4691 -9.7005 -9.7004 -7.3409 -7.3217 -7.1898 -7.1383 -7.0808 -6.9771 -6.8367 -6.8138 -6.7015 -6.6470 -6.6205 -6.6171 -2.5853 -2.5839 -0.0944 -0.0911 0.2205 0.2267 0.5078 0.5153 1.4940 1.4941 1.6487 1.7317 1.7766 1.8086 2.0419 2.1087 2.3908 2.4064 2.4715 2.5408 2.7112 2.7339 2.8268 2.8863 2.9978 2.9992 3.1113 3.1455 3.5087 3.6028 3.6723 3.7901 3.8280 3.8681 4.2540 4.2964 4.3413 4.3856 4.6388 4.6575 5.4159 5.4177 5.4352 5.4554 8.3209 8.3239 8.8451 8.8485 9.1394 9.1398 9.3697 9.3741 10.1715 10.1748 10.7409 10.7521 k = 0.3500 0.4027 0.4870 ( 6412 PWs) bands (ev): -23.4691 -23.4691 -9.6995 -9.6995 -7.3441 -7.3235 -7.1936 -7.1384 -7.0845 -6.9727 -6.8440 -6.8232 -6.6968 -6.6444 -6.6149 -6.6082 -2.5885 -2.5871 -0.0905 -0.0869 0.2417 0.2487 0.5152 0.5234 1.4815 1.4827 1.6515 1.7408 1.7822 1.8179 2.0310 2.1022 2.3839 2.4039 2.4712 2.5357 2.7114 2.7387 2.8267 2.8966 2.9914 2.9918 3.1113 3.1476 3.4731 3.5764 3.6292 3.7590 3.8171 3.8678 4.2607 4.3038 4.3349 4.3810 4.6498 4.6670 5.4392 5.4399 5.4532 5.4723 8.3298 8.3323 8.8251 8.8281 9.1615 9.1621 9.3780 9.3822 10.1631 10.1641 10.7371 10.7477 k = 0.3583 0.4123 0.4724 ( 6406 PWs) bands (ev): -23.4691 -23.4691 -9.6984 -9.6983 -7.3474 -7.3253 -7.1982 -7.1436 -7.0838 -6.9683 -6.8507 -6.8319 -6.6923 -6.6420 -6.6091 -6.5995 -2.5915 -2.5901 -0.0842 -0.0802 0.2628 0.2706 0.5230 0.5320 1.4688 1.4712 1.6547 1.7496 1.7878 1.8272 2.0191 2.0943 2.3762 2.4009 2.4714 2.5291 2.7117 2.7436 2.8258 2.9049 2.9851 2.9864 3.1114 3.1497 3.4371 3.5505 3.5881 3.7221 3.8123 3.8676 4.2650 4.3087 4.3232 4.3701 4.6688 4.6847 5.4528 5.4613 5.4773 5.4901 8.3405 8.3427 8.8038 8.8063 9.1838 9.1847 9.3865 9.3904 10.1519 10.1533 10.7271 10.7373 k = 0.3667 0.4219 0.4578 ( 6406 PWs) bands (ev): -23.4691 -23.4691 -9.6970 -9.6970 -7.3507 -7.3272 -7.2036 -7.1524 -7.0802 -6.9647 -6.8567 -6.8392 -6.6880 -6.6396 -6.6034 -6.5911 -2.5943 -2.5928 -0.0754 -0.0710 0.2837 0.2924 0.5312 0.5409 1.4561 1.4594 1.6583 1.7581 1.7933 1.8365 2.0064 2.0849 2.3677 2.3971 2.4718 2.5211 2.7122 2.7484 2.8241 2.9091 2.9790 2.9846 3.1115 3.1518 3.4008 3.5253 3.5495 3.6844 3.8089 3.8673 4.2660 4.3084 4.3111 4.3543 4.6943 4.7090 5.4624 5.4782 5.5035 5.5104 8.3528 8.3548 8.7818 8.7838 9.2064 9.2075 9.3949 9.3987 10.1380 10.1421 10.7113 10.7211 k = 0.3750 0.4315 0.4431 ( 6410 PWs) bands (ev): -23.4691 -23.4691 -9.6955 -9.6954 -7.3542 -7.3291 -7.2094 -7.1631 -7.0759 -6.9628 -6.8616 -6.8442 -6.6840 -6.6373 -6.5978 -6.5831 -2.5968 -2.5954 -0.0641 -0.0594 0.3044 0.3140 0.5399 0.5502 1.4433 1.4474 1.6624 1.7663 1.7987 1.8457 1.9929 2.0742 2.3584 2.3924 2.4725 2.5121 2.7132 2.7530 2.8213 2.9080 2.9732 2.9868 3.1119 3.1544 3.3645 3.5007 3.5138 3.6474 3.8059 3.8669 4.2609 4.2945 4.3103 4.3358 4.7246 4.7382 5.4694 5.4904 5.5302 5.5334 8.3662 8.3681 8.7599 8.7615 9.2291 9.2305 9.4031 9.4069 10.1229 10.1296 10.6898 10.6994 k = 0.3833 0.4411 0.4285 ( 6414 PWs) bands (ev): -23.4691 -23.4691 -9.6939 -9.6938 -7.3579 -7.3310 -7.2154 -7.1746 -7.0721 -6.9637 -6.8650 -6.8460 -6.6803 -6.6349 -6.5922 -6.5756 -2.5990 -2.5977 -0.0504 -0.0453 0.3249 0.3354 0.5489 0.5599 1.4305 1.4353 1.6669 1.7742 1.8040 1.8548 1.9788 2.0623 2.3483 2.3862 2.4734 2.5025 2.7147 2.7571 2.8174 2.9023 2.9678 2.9917 3.1125 3.1581 3.3284 3.4768 3.4811 3.6115 3.8030 3.8663 4.2459 4.2864 4.3014 4.3208 4.7583 4.7711 5.4740 5.4988 5.5571 5.5581 8.3796 8.3819 8.7393 8.7406 9.2519 9.2535 9.4111 9.4151 10.1073 10.1166 10.6629 10.6725 k = 0.3917 0.4507 0.4139 ( 6400 PWs) bands (ev): -23.4691 -23.4691 -9.6920 -9.6919 -7.3616 -7.3330 -7.2215 -7.1863 -7.0696 -6.9679 -6.8666 -6.8442 -6.6768 -6.6325 -6.5869 -6.5685 -2.6010 -2.5998 -0.0344 -0.0287 0.3449 0.3565 0.5582 0.5699 1.4177 1.4229 1.6719 1.7818 1.8090 1.8636 1.9643 2.0494 2.3374 2.3785 2.4746 2.4930 2.7167 2.7604 2.8121 2.8937 2.9630 2.9970 3.1135 3.1633 3.2932 3.4511 3.4536 3.5771 3.8001 3.8656 4.2236 4.2802 4.2826 4.3145 4.7945 4.8065 5.4764 5.5042 5.5838 5.5845 8.3918 8.3947 8.7214 8.7226 9.2747 9.2765 9.4190 9.4233 10.0922 10.1039 10.6312 10.6409 k = 0.4000 0.4603 0.3993 ( 6399 PWs) bands (ev): -23.4690 -23.4690 -9.6900 -9.6899 -7.3655 -7.3350 -7.2275 -7.1979 -7.0691 -6.9754 -6.8663 -6.8389 -6.6736 -6.6300 -6.5819 -6.5619 -2.6028 -2.6017 -0.0160 -0.0099 0.3646 0.3771 0.5678 0.5801 1.4048 1.4104 1.6773 1.7892 1.8135 1.8719 1.9498 2.0358 2.3257 2.3688 2.4760 2.4839 2.7189 2.7622 2.8056 2.8834 2.9591 3.0010 3.1151 3.1705 3.2593 3.4237 3.4311 3.5442 3.7973 3.8648 4.1979 4.2542 4.2798 4.3101 4.8321 4.8434 5.4764 5.5068 5.6103 5.6123 8.4007 8.4047 8.7079 8.7095 9.2976 9.2995 9.4268 9.4316 10.0785 10.0924 10.5952 10.6051 k = 0.4083 0.4699 0.3847 ( 6405 PWs) bands (ev): -23.4690 -23.4690 -9.6879 -9.6878 -7.3696 -7.3371 -7.2332 -7.2092 -7.0707 -6.9855 -6.8639 -6.8308 -6.6706 -6.6276 -6.5772 -6.5559 -2.6044 -2.6034 0.0044 0.0111 0.3838 0.3973 0.5777 0.5905 1.3920 1.3977 1.6833 1.7964 1.8171 1.8792 1.9358 2.0220 2.3134 2.3570 2.4757 2.4778 2.7214 2.7622 2.7979 2.8723 2.9561 3.0024 3.1172 3.1799 3.2273 3.3984 3.4094 3.5127 3.7945 3.8639 4.1704 4.2264 4.2769 4.3053 4.8705 4.8811 5.4743 5.5070 5.6376 5.6407 8.4043 8.4099 8.7009 8.7033 9.3205 9.3225 9.4351 9.4406 10.0671 10.0829 10.5554 10.5655 k = 0.4167 0.4795 0.3700 ( 6413 PWs) bands (ev): -23.4691 -23.4691 -9.6857 -9.6856 -7.3738 -7.3395 -7.2385 -7.2198 -7.0744 -6.9976 -6.8595 -6.8207 -6.6678 -6.6251 -6.5729 -6.5504 -2.6059 -2.6050 0.0270 0.0343 0.4024 0.4169 0.5877 0.6011 1.3791 1.3848 1.6899 1.8035 1.8191 1.8849 1.9232 2.0090 2.3006 2.3431 2.4688 2.4800 2.7239 2.7595 2.7892 2.8608 2.9541 3.0013 3.1194 3.1911 3.1983 3.3749 3.3884 3.4827 3.7917 3.8627 4.1419 4.1975 4.2737 4.2999 4.9088 4.9189 5.4701 5.5049 5.6658 5.6699 8.4011 8.4087 8.7020 8.7054 9.3434 9.3454 9.4444 9.4506 10.0584 10.0760 10.5125 10.5228 k = 0.4250 0.4890 0.3554 ( 6417 PWs) bands (ev): -23.4690 -23.4690 -9.6834 -9.6832 -7.3780 -7.3420 -7.2433 -7.2296 -7.0799 -7.0109 -6.8534 -6.8092 -6.6652 -6.6227 -6.5689 -6.5455 -2.6072 -2.6064 0.0514 0.0593 0.4205 0.4359 0.5978 0.6117 1.3664 1.3718 1.6969 1.8104 1.8185 1.8880 1.9133 1.9978 2.2874 2.3274 2.4630 2.4825 2.7262 2.7539 2.7800 2.8490 2.9531 2.9978 3.1197 3.1746 3.2035 3.3530 3.3686 3.4541 3.7890 3.8614 4.1128 4.1680 4.2701 4.2940 4.9466 4.9563 5.4639 5.5006 5.6950 5.7002 8.3910 8.4005 8.7112 8.7157 9.3662 9.3682 9.4554 9.4622 10.0529 10.0721 10.4670 10.4776 k = 0.4333 0.4986 0.3408 ( 6426 PWs) bands (ev): -23.4691 -23.4691 -9.6811 -9.6809 -7.3823 -7.3448 -7.2476 -7.2386 -7.0870 -7.0251 -6.8458 -6.7968 -6.6629 -6.6202 -6.5653 -6.5411 -2.6086 -2.6079 0.0775 0.0862 0.4379 0.4543 0.6081 0.6224 1.3536 1.3587 1.7046 1.8143 1.8171 1.8870 1.9071 1.9900 2.2740 2.3103 2.4584 2.4854 2.7282 2.7450 2.7704 2.8370 2.9530 2.9926 3.1123 3.1622 3.2158 3.3323 3.3506 3.4267 3.7863 3.8599 4.0835 4.1381 4.2661 4.2877 4.9832 4.9925 5.4561 5.4944 5.7253 5.7316 8.3751 8.3863 8.7276 8.7329 9.3890 9.3910 9.4688 9.4762 10.0506 10.0712 10.4196 10.4303 k = 0.4417 0.5082 0.3262 ( 6428 PWs) bands (ev): -23.4690 -23.4690 -9.6787 -9.6785 -7.3866 -7.3480 -7.2514 -7.2466 -7.0954 -7.0398 -6.8372 -6.7840 -6.6607 -6.6177 -6.5622 -6.5373 -2.6099 -2.6093 0.1052 0.1145 0.4546 0.4719 0.6183 0.6330 1.3410 1.3454 1.7127 1.8064 1.8237 1.8813 1.9053 1.9866 2.2606 2.2921 2.4547 2.4886 2.7299 2.7335 2.7605 2.8247 2.9533 2.9865 3.0951 3.1634 3.2258 3.3127 3.3360 3.4006 3.7835 3.8581 4.0544 4.1081 4.2618 4.2811 5.0181 5.0271 5.4468 5.4865 5.7569 5.7642 8.3552 8.3678 8.7491 8.7549 9.4117 9.4135 9.4853 9.4929 10.0515 10.0735 10.3709 10.3818 k = 0.4500 0.5178 0.3116 ( 6424 PWs) bands (ev): -23.4690 -23.4690 -9.6763 -9.6761 -7.3909 -7.3514 -7.2545 -7.2535 -7.1047 -7.0547 -6.8279 -6.7709 -6.6586 -6.6153 -6.5594 -6.5340 -2.6113 -2.6107 0.1341 0.1442 0.4706 0.4887 0.6285 0.6435 1.3285 1.3322 1.7211 1.7954 1.8298 1.8713 1.9072 1.9876 2.2475 2.2735 2.4518 2.4921 2.7198 2.7309 2.7502 2.8119 2.9538 2.9801 3.0742 3.1719 3.2301 3.2943 3.3276 3.3756 3.7807 3.8560 4.0258 4.0784 4.2572 4.2743 5.0509 5.0597 5.4363 5.4772 5.7897 5.7980 8.3331 8.3467 8.7738 8.7800 9.4341 9.4358 9.5051 9.5127 10.0554 10.0789 10.3218 10.3326 k = 0.4583 0.5274 0.2970 ( 6432 PWs) bands (ev): -23.4690 -23.4690 -9.6739 -9.6737 -7.3949 -7.3551 -7.2593 -7.2571 -7.1145 -7.0697 -6.8180 -6.7579 -6.6567 -6.6129 -6.5571 -6.5313 -2.6128 -2.6123 0.1641 0.1750 0.4858 0.5047 0.6385 0.6539 1.3162 1.3189 1.7295 1.7830 1.8340 1.8595 1.9119 1.9917 2.2349 2.2547 2.4494 2.4958 2.7045 2.7313 2.7394 2.7985 2.9542 2.9740 3.0531 3.1835 3.2256 3.2772 3.3280 3.3520 3.7778 3.8536 3.9981 4.0492 4.2522 4.2672 5.0812 5.0900 5.4249 5.4667 5.8238 5.8330 8.3101 8.3244 8.8003 8.8067 9.4562 9.4576 9.5285 9.5357 10.0621 10.0872 10.2730 10.2836 k = 0.4667 0.5370 0.2823 ( 6428 PWs) bands (ev): -23.4690 -23.4690 -9.6716 -9.6714 -7.3988 -7.3591 -7.2641 -7.2591 -7.1246 -7.0844 -6.8080 -6.7450 -6.6549 -6.6104 -6.5553 -6.5291 -2.6144 -2.6141 0.1948 0.2065 0.5002 0.5198 0.6483 0.6639 1.3042 1.3058 1.7362 1.7717 1.8307 1.8531 1.9185 1.9977 2.2230 2.2361 2.4476 2.4994 2.6883 2.7283 2.7306 2.7849 2.9542 2.9687 3.0329 3.1954 3.2129 3.2631 3.3258 3.3402 3.7746 3.8509 3.9717 4.0209 4.2468 4.2600 5.1090 5.1176 5.4129 5.4552 5.8589 5.8690 8.2873 8.3021 8.8276 8.8340 9.4777 9.4787 9.5552 9.5616 10.0712 10.0982 10.2257 10.2359 k = 0.4750 0.5466 0.2677 ( 6424 PWs) bands (ev): -23.4690 -23.4690 -9.6694 -9.6692 -7.4023 -7.3632 -7.2678 -7.2606 -7.1348 -7.0988 -6.7979 -6.7325 -6.6532 -6.6081 -6.5538 -6.5275 -2.6163 -2.6160 0.2260 0.2385 0.5137 0.5340 0.6579 0.6736 1.2924 1.2928 1.7364 1.7671 1.8170 1.8559 1.9264 2.0046 2.2121 2.2180 2.4461 2.5030 2.6714 2.7174 2.7280 2.7718 2.9538 2.9643 3.0140 3.1952 3.2024 3.2565 3.3048 3.3531 3.7712 3.8476 3.9470 3.9937 4.2410 4.2527 5.1339 5.1424 5.4005 5.4431 5.8947 5.9056 8.2655 8.2807 8.8551 8.8614 9.4982 9.4988 9.5846 9.5896 10.0818 10.1106 10.1818 10.1912 k = 0.4833 0.5562 0.2531 ( 6418 PWs) bands (ev): -23.4690 -23.4690 -9.6674 -9.6672 -7.4055 -7.3673 -7.2706 -7.2616 -7.1448 -7.1128 -6.7879 -6.7206 -6.6515 -6.6057 -6.5528 -6.5264 -2.6184 -2.6182 0.2573 0.2706 0.5265 0.5473 0.6670 0.6828 1.2802 1.2811 1.7272 1.7723 1.8002 1.8613 1.9352 2.0116 2.2008 2.2025 2.4450 2.5061 2.6542 2.7068 2.7219 2.7610 2.9525 2.9610 2.9967 3.1748 3.1981 3.2637 3.2833 3.3700 3.7674 3.8437 3.9244 3.9683 4.2347 4.2452 5.1560 5.1644 5.3880 5.4305 5.9309 5.9424 8.2454 8.2607 8.8824 8.8887 9.5172 9.5173 9.6158 9.6190 10.0888 10.1167 10.1472 10.1586 k = 0.4917 0.5658 0.2385 ( 6419 PWs) bands (ev): -23.4690 -23.4690 -9.6655 -9.6653 -7.4081 -7.3713 -7.2726 -7.2622 -7.1545 -7.1262 -6.7782 -6.7094 -6.6498 -6.6034 -6.5522 -6.5259 -2.6208 -2.6207 0.2884 0.3025 0.5383 0.5595 0.6757 0.6915 1.2679 1.2701 1.7145 1.7818 1.7826 1.8672 1.9444 2.0182 2.1846 2.1943 2.4441 2.5086 2.6372 2.6969 2.7107 2.7542 2.9498 2.9584 2.9817 3.1531 3.1856 3.2623 3.2810 3.3886 3.7631 3.8388 3.9045 3.9451 4.2280 4.2376 5.1754 5.1836 5.3755 5.4177 5.9669 5.9789 8.2274 8.2426 8.9096 8.9158 9.5335 9.5345 9.6475 9.6485 10.0756 10.0930 10.1396 10.1622 k = 0.5000 0.5754 0.2239 ( 6418 PWs) bands (ev): -23.4690 -23.4690 -9.6638 -9.6636 -7.4102 -7.3750 -7.2738 -7.2623 -7.1637 -7.1389 -6.7689 -6.6992 -6.6478 -6.6012 -6.5520 -6.5259 -2.6236 -2.6235 0.3190 0.3338 0.5493 0.5708 0.6837 0.6994 1.2561 1.2596 1.7011 1.7652 1.7927 1.8731 1.9540 2.0241 2.1697 2.1878 2.4435 2.5102 2.6205 2.6881 2.6954 2.7510 2.9444 2.9563 2.9704 3.1311 3.1704 3.2417 3.3032 3.4082 3.7583 3.8325 3.8875 3.9249 4.2208 4.2298 5.1921 5.2001 5.3633 5.4047 6.0022 6.0144 8.2119 8.2268 8.9368 8.9428 9.5468 9.5489 9.6770 9.6783 10.0478 10.0601 10.1547 10.1824 k = 0.5000 0.5754 0.2239 ( 6418 PWs) bands (ev): -23.4690 -23.4690 -9.6638 -9.6636 -7.4102 -7.3750 -7.2738 -7.2623 -7.1637 -7.1389 -6.7689 -6.6992 -6.6478 -6.6012 -6.5520 -6.5259 -2.6236 -2.6235 0.3190 0.3338 0.5493 0.5708 0.6837 0.6994 1.2561 1.2596 1.7011 1.7652 1.7927 1.8731 1.9540 2.0241 2.1697 2.1878 2.4435 2.5102 2.6205 2.6881 2.6954 2.7510 2.9444 2.9563 2.9704 3.1311 3.1704 3.2417 3.3032 3.4082 3.7583 3.8325 3.8875 3.9249 4.2208 4.2298 5.1921 5.2001 5.3633 5.4047 6.0022 6.0144 8.2119 8.2268 8.9368 8.9428 9.5468 9.5489 9.6770 9.6783 10.0478 10.0601 10.1547 10.1824 k = 0.5000 0.5754 0.2052 ( 6434 PWs) bands (ev): -23.4690 -23.4690 -9.6619 -9.6617 -7.4125 -7.3796 -7.2750 -7.2624 -7.1747 -7.1541 -6.7575 -6.6879 -6.6444 -6.5984 -6.5521 -6.5265 -2.6273 -2.6273 0.3573 0.3728 0.5627 0.5843 0.6930 0.7085 1.2416 1.2467 1.6844 1.7434 1.8073 1.8803 1.9660 2.0300 2.1527 2.1817 2.4428 2.5106 2.6002 2.6731 2.6786 2.7492 2.9326 2.9539 2.9625 3.1039 3.1513 3.2162 3.3338 3.4336 3.7506 3.8211 3.8699 3.9040 4.2098 4.2186 5.2110 5.2187 5.3491 5.3891 6.0458 6.0581 8.1946 8.2091 8.9730 8.9787 9.5586 9.5624 9.7102 9.7145 10.0139 10.0229 10.1828 10.2132 k = 0.5000 0.5754 0.1866 ( 6440 PWs) bands (ev): -23.4690 -23.4690 -9.6600 -9.6598 -7.4147 -7.3844 -7.2760 -7.2625 -7.1847 -7.1681 -6.7466 -6.6791 -6.6393 -6.5955 -6.5523 -6.5272 -2.6310 -2.6309 0.3947 0.4109 0.5760 0.5975 0.7012 0.7165 1.2277 1.2342 1.6683 1.7222 1.8221 1.8869 1.9773 2.0336 2.1379 2.1781 2.4418 2.5088 2.5814 2.6496 2.6711 2.7485 2.9184 2.9515 2.9591 3.0787 3.1342 3.1922 3.3647 3.4585 3.7408 3.8052 3.8565 3.8888 4.1962 4.2052 5.2282 5.2355 5.3372 5.3752 6.0874 6.0997 8.1793 8.1931 9.0121 9.0174 9.5636 9.5693 9.7385 9.7455 9.9877 9.9940 10.2146 10.2460 k = 0.5000 0.5754 0.1679 ( 6448 PWs) bands (ev): -23.4690 -23.4690 -9.6583 -9.6581 -7.4166 -7.3891 -7.2769 -7.2630 -7.1937 -7.1808 -6.7363 -6.6731 -6.6322 -6.5925 -6.5526 -6.5282 -2.6345 -2.6344 0.4310 0.4479 0.5889 0.6100 0.7080 0.7232 1.2146 1.2221 1.6532 1.7018 1.8365 1.8927 1.9875 2.0349 2.1259 2.1766 2.4408 2.5047 2.5643 2.6258 2.6659 2.7482 2.9048 2.9480 2.9574 3.0562 3.1192 3.1695 3.3959 3.4826 3.7296 3.7857 3.8470 3.8785 4.1801 4.1897 5.2439 5.2507 5.3276 5.3631 6.1269 6.1388 8.1658 8.1787 9.0541 9.0589 9.5612 9.5686 9.7609 9.7699 9.9710 9.9748 10.2487 10.2801 k = 0.5000 0.5754 0.1492 ( 6452 PWs) bands (ev): -23.4690 -23.4690 -9.6566 -9.6564 -7.4184 -7.3938 -7.2779 -7.2637 -7.2016 -7.1920 -6.7267 -6.6695 -6.6237 -6.5896 -6.5531 -6.5296 -2.6378 -2.6377 0.4659 0.4834 0.6014 0.6219 0.7133 0.7284 1.2024 1.2107 1.6394 1.6827 1.8502 1.8976 1.9960 2.0344 2.1174 2.1768 2.4399 2.4985 2.5491 2.6027 2.6633 2.7479 2.8926 2.9424 2.9567 3.0376 3.1063 3.1485 3.4268 3.5052 3.7181 3.7647 3.8408 3.8716 4.1619 4.1723 5.2579 5.2642 5.3203 5.3528 6.1637 6.1751 8.1541 8.1661 9.0989 9.1031 9.5520 9.5607 9.7760 9.7865 9.9635 9.9651 10.2849 10.3150 k = 0.5000 0.5754 0.1306 ( 6448 PWs) bands (ev): -23.4690 -23.4690 -9.6551 -9.6549 -7.4198 -7.3983 -7.2790 -7.2648 -7.2082 -7.2016 -6.7179 -6.6677 -6.6144 -6.5866 -6.5536 -6.5312 -2.6409 -2.6408 0.4991 0.5172 0.6133 0.6328 0.7169 0.7320 1.1913 1.1999 1.6272 1.6650 1.8629 1.9016 2.0023 2.0326 2.1128 2.1778 2.4392 2.4909 2.5355 2.5807 2.6631 2.7472 2.8822 2.9338 2.9568 3.0237 3.0953 3.1292 3.4571 3.5257 3.7077 3.7439 3.8372 3.8667 4.1420 4.1534 5.2703 5.2761 5.3150 5.3442 6.1976 6.2082 8.1442 8.1550 9.1462 9.1498 9.5376 9.5470 9.7830 9.7940 9.9635 9.9637 10.3222 10.3499 k = 0.5000 0.5754 0.1119 ( 6452 PWs) bands (ev): -23.4690 -23.4690 -9.6538 -9.6536 -7.4210 -7.4025 -7.2800 -7.2665 -7.2137 -7.2096 -6.7098 -6.6671 -6.6052 -6.5836 -6.5543 -6.5331 -2.6436 -2.6435 0.5305 0.5489 0.6244 0.6426 0.7186 0.7336 1.1814 1.1900 1.6164 1.6489 1.8742 1.9047 2.0064 2.0299 2.1124 2.1788 2.4389 2.4827 2.5234 2.5602 2.6651 2.7457 2.8737 2.9224 2.9578 3.0142 3.0861 3.1118 3.4862 3.5432 3.6995 3.7246 3.8356 3.8631 4.1212 4.1334 5.2811 5.2863 5.3115 5.3369 6.2281 6.2377 8.1360 8.1455 9.1958 9.1987 9.5205 9.5298 9.7809 9.7917 9.9680 9.9687 10.3595 10.3833 k = 0.5000 0.5754 0.0933 ( 6442 PWs) bands (ev): -23.4690 -23.4690 -9.6526 -9.6524 -7.4219 -7.4065 -7.2809 -7.2686 -7.2181 -7.2158 -6.7025 -6.6672 -6.5963 -6.5808 -6.5550 -6.5354 -2.6461 -2.6460 0.5596 0.5784 0.6344 0.6510 0.7183 0.7333 1.1730 1.1810 1.6075 1.6345 1.8838 1.9068 2.0086 2.0270 2.1158 2.1791 2.4390 2.4749 2.5127 2.5418 2.6690 2.7431 2.8672 2.9095 2.9597 3.0080 3.0785 3.0966 3.5132 3.5572 3.6944 3.7078 3.8355 3.8603 4.1005 4.1130 5.2902 5.2948 5.3096 5.3310 6.2548 6.2632 8.1293 8.1374 9.2470 9.2493 9.5028 9.5115 9.7695 9.7792 9.9756 9.9768 10.3955 10.4137 k = 0.5000 0.5754 0.0746 ( 6442 PWs) bands (ev): -23.4690 -23.4690 -9.6516 -9.6515 -7.4224 -7.4101 -7.2816 -7.2711 -7.2215 -7.2204 -6.6960 -6.6681 -6.5882 -6.5781 -6.5557 -6.5381 -2.6481 -2.6480 0.5863 0.6053 0.6432 0.6580 0.7158 0.7307 1.1661 1.1732 1.6005 1.6220 1.8917 1.9081 2.0096 2.0240 2.1220 2.1780 2.4398 2.4679 2.5034 2.5256 2.6746 2.7390 2.8626 2.8966 2.9626 3.0034 3.0724 3.0840 3.5371 3.5672 3.6922 3.6945 3.8368 3.8581 4.0809 4.0931 5.2977 5.3017 5.3089 5.3260 6.2774 6.2844 8.1242 8.1308 9.2990 9.3008 9.4866 9.4942 9.7490 9.7573 9.9845 9.9858 10.4280 10.4378 k = 0.5000 0.5754 0.0560 ( 6450 PWs) bands (ev): -23.4690 -23.4690 -9.6508 -9.6507 -7.4225 -7.4132 -7.2820 -7.2737 -7.2240 -7.2236 -6.6902 -6.6695 -6.5812 -6.5756 -6.5562 -6.5412 -2.6497 -2.6496 0.6102 0.6292 0.6506 0.6634 0.7115 0.7259 1.1608 1.1666 1.5956 1.6116 1.8977 1.9088 2.0103 2.0211 2.1302 2.1752 2.4412 2.4620 2.4959 2.5121 2.6817 2.7333 2.8599 2.8849 2.9665 2.9990 3.0677 3.0742 3.5564 3.5736 3.6858 3.6918 3.8393 3.8561 4.0638 4.0747 5.3035 5.3069 5.3093 5.3219 6.2956 6.3010 8.1204 8.1255 9.3501 9.3514 9.4734 9.4796 9.7210 9.7275 9.9930 9.9942 10.4496 10.4516 k = 0.5000 0.5754 0.0373 ( 6446 PWs) bands (ev): -23.4690 -23.4690 -9.6502 -9.6502 -7.4221 -7.4160 -7.2820 -7.2763 -7.2257 -7.2257 -6.6852 -6.6715 -6.5756 -6.5735 -6.5561 -6.5447 -2.6509 -2.6508 0.6308 0.6492 0.6564 0.6672 0.7057 0.7189 1.1574 1.1614 1.5927 1.6034 1.9022 1.9089 2.0112 2.0185 2.1392 2.1708 2.4433 2.4572 2.4907 2.5013 2.6899 2.7261 2.8590 2.8753 2.9712 2.9941 3.0644 3.0674 3.5698 3.5774 3.6823 3.6916 3.8426 3.8543 4.0508 4.0592 5.3076 5.3105 5.3107 5.3184 6.3090 6.3127 8.1181 8.1215 9.3966 9.3974 9.4651 9.4696 9.6890 9.6936 10.0000 10.0008 10.4455 10.4483 k = 0.5000 0.5754 0.0187 ( 6442 PWs) bands (ev): -23.4690 -23.4690 -9.6499 -9.6499 -7.4213 -7.4182 -7.2814 -7.2785 -7.2268 -7.2267 -6.6808 -6.6740 -6.5723 -6.5719 -6.5547 -6.5483 -2.6516 -2.6515 0.6470 0.6581 0.6651 0.6696 0.7007 0.7102 1.1557 1.1578 1.5920 1.5973 1.9052 1.9083 2.0125 2.0162 2.1484 2.1646 2.4460 2.4530 2.4884 2.4937 2.6990 2.7176 2.8600 2.8680 2.9767 2.9886 3.0624 3.0635 3.5771 3.5794 3.6834 3.6900 3.8462 3.8522 4.0434 4.0479 5.3103 5.3123 5.3126 5.3154 6.3176 6.3195 8.1170 8.1187 9.4289 9.4293 9.4656 9.4682 9.6601 9.6626 10.0045 10.0050 10.4371 10.4375 k = 0.5000 0.5754 0.0000 ( 6452 PWs) bands (ev): -23.4690 -23.4690 -9.6498 -9.6498 -7.4200 -7.4200 -7.2802 -7.2802 -7.2271 -7.2271 -6.6771 -6.6771 -6.5712 -6.5712 -6.5519 -6.5519 -2.6518 -2.6518 0.6565 0.6565 0.6705 0.6705 0.7022 0.7022 1.1559 1.1559 1.5935 1.5935 1.9071 1.9071 2.0142 2.0142 2.1570 2.1570 2.4493 2.4493 2.4893 2.4893 2.7084 2.7084 2.8629 2.8629 2.9826 2.9826 3.0620 3.0620 3.5797 3.5797 3.6868 3.6868 3.8495 3.8495 4.0423 4.0423 5.3126 5.3126 5.3133 5.3133 6.3211 6.3211 8.1173 8.1173 9.4376 9.4376 9.4722 9.4722 9.6480 9.6480 10.0063 10.0063 10.4336 10.4336 k = 0.0000 0.0000 0.6624 ( 6388 PWs) bands (ev): -23.4691 -23.4691 -9.6954 -9.6954 -7.3714 -7.3714 -7.1838 -7.1838 -7.0752 -7.0752 -6.7825 -6.7825 -6.6401 -6.6401 -6.5781 -6.5781 -2.5804 -2.5804 -0.2963 -0.2963 0.3589 0.3589 0.5008 0.5008 1.5032 1.5032 1.6862 1.6862 1.7152 1.7152 2.1384 2.1384 2.3725 2.3725 2.5405 2.5405 2.6715 2.6715 2.8947 2.8947 2.9739 2.9739 3.2152 3.2152 3.6663 3.6663 3.8221 3.8221 3.9529 3.9529 4.1388 4.1388 4.1533 4.1533 4.9587 4.9587 4.9840 4.9840 5.7616 5.7616 8.5587 8.5587 8.6625 8.6625 9.1591 9.1591 9.3958 9.3958 9.6848 9.6848 11.2029 11.2029 k = 0.0125 0.0144 0.6624 ( 6400 PWs) bands (ev): -23.4691 -23.4691 -9.6955 -9.6955 -7.3711 -7.3711 -7.1834 -7.1834 -7.0754 -7.0754 -6.7823 -6.7823 -6.6403 -6.6403 -6.5788 -6.5788 -2.5802 -2.5802 -0.2954 -0.2954 0.3577 0.3577 0.5006 0.5006 1.5036 1.5036 1.6861 1.6861 1.7152 1.7152 2.1382 2.1382 2.3727 2.3727 2.5404 2.5404 2.6715 2.6715 2.8943 2.8943 2.9741 2.9741 3.2148 3.2148 3.6670 3.6670 3.8224 3.8224 3.9534 3.9534 4.1389 4.1389 4.1537 4.1537 4.9582 4.9582 4.9843 4.9843 5.7594 5.7594 8.5568 8.5568 8.6646 8.6646 9.1581 9.1581 9.3955 9.3955 9.6862 9.6862 11.2053 11.2053 k = 0.0250 0.0288 0.6624 ( 6408 PWs) bands (ev): -23.4691 -23.4691 -9.6956 -9.6956 -7.3704 -7.3704 -7.1823 -7.1823 -7.0758 -7.0758 -6.7815 -6.7815 -6.6408 -6.6408 -6.5808 -6.5808 -2.5798 -2.5798 -0.2928 -0.2928 0.3540 0.3540 0.5000 0.5000 1.5049 1.5049 1.6860 1.6860 1.7152 1.7152 2.1377 2.1377 2.3734 2.3734 2.5400 2.5400 2.6718 2.6718 2.8932 2.8932 2.9749 2.9749 3.2135 3.2135 3.6693 3.6693 3.8233 3.8233 3.9550 3.9550 4.1390 4.1390 4.1550 4.1550 4.9568 4.9568 4.9854 4.9854 5.7527 5.7527 8.5511 8.5511 8.6706 8.6706 9.1550 9.1550 9.3948 9.3948 9.6904 9.6904 11.2123 11.2123 k = 0.0375 0.0432 0.6624 ( 6408 PWs) bands (ev): -23.4691 -23.4691 -9.6958 -9.6958 -7.3691 -7.3691 -7.1805 -7.1805 -7.0764 -7.0764 -6.7802 -6.7802 -6.6416 -6.6416 -6.5841 -6.5841 -2.5790 -2.5790 -0.2884 -0.2884 0.3479 0.3479 0.4989 0.4989 1.5070 1.5070 1.6858 1.6858 1.7151 1.7151 2.1368 2.1368 2.3746 2.3746 2.5394 2.5394 2.6722 2.6722 2.8912 2.8912 2.9762 2.9762 3.2115 3.2115 3.6731 3.6731 3.8248 3.8248 3.9576 3.9576 4.1393 4.1393 4.1572 4.1572 4.9543 4.9543 4.9873 4.9873 5.7418 5.7418 8.5421 8.5421 8.6805 8.6805 9.1500 9.1500 9.3936 9.3936 9.6977 9.6977 11.2238 11.2238 k = 0.0500 0.0575 0.6624 ( 6390 PWs) bands (ev): -23.4691 -23.4691 -9.6961 -9.6961 -7.3673 -7.3673 -7.1781 -7.1781 -7.0769 -7.0769 -6.7784 -6.7784 -6.6429 -6.6429 -6.5885 -6.5885 -2.5781 -2.5781 -0.2823 -0.2823 0.3394 0.3394 0.4975 0.4975 1.5099 1.5099 1.6855 1.6855 1.7151 1.7151 2.1357 2.1357 2.3763 2.3763 2.5386 2.5386 2.6729 2.6729 2.8886 2.8886 2.9781 2.9781 3.2087 3.2087 3.6783 3.6783 3.8269 3.8269 3.9612 3.9612 4.1397 4.1397 4.1603 4.1603 4.9506 4.9506 4.9903 4.9903 5.7268 5.7268 8.5299 8.5299 8.6937 8.6937 9.1432 9.1432 9.3917 9.3917 9.7081 9.7081 11.2384 11.2384 k = 0.0625 0.0719 0.6624 ( 6386 PWs) bands (ev): -23.4691 -23.4691 -9.6965 -9.6965 -7.3651 -7.3651 -7.1754 -7.1754 -7.0773 -7.0773 -6.7763 -6.7763 -6.6446 -6.6446 -6.5941 -6.5941 -2.5768 -2.5768 -0.2745 -0.2745 0.3287 0.3287 0.4957 0.4957 1.5134 1.5134 1.6850 1.6850 1.7151 1.7151 2.1343 2.1343 2.3784 2.3784 2.5375 2.5375 2.6736 2.6736 2.8853 2.8853 2.9805 2.9805 3.2051 3.2051 3.6846 3.6846 3.8295 3.8295 3.9657 3.9657 4.1400 4.1400 4.1642 4.1642 4.9458 4.9458 4.9944 4.9944 5.7080 5.7080 8.5150 8.5150 8.7098 8.7098 9.1348 9.1348 9.3889 9.3889 9.7220 9.7220 11.2486 11.2486 k = 0.0750 0.0863 0.6624 ( 6390 PWs) bands (ev): -23.4691 -23.4691 -9.6970 -9.6970 -7.3624 -7.3624 -7.1727 -7.1727 -7.0771 -7.0771 -6.7738 -6.7738 -6.6468 -6.6468 -6.6006 -6.6006 -2.5754 -2.5754 -0.2651 -0.2651 0.3159 0.3159 0.4936 0.4936 1.5176 1.5176 1.6844 1.6844 1.7152 1.7152 2.1326 2.1326 2.3809 2.3809 2.5362 2.5362 2.6746 2.6746 2.8814 2.8814 2.9835 2.9835 3.2008 3.2008 3.6921 3.6921 3.8323 3.8323 3.9711 3.9711 4.1404 4.1404 4.1688 4.1688 4.9400 4.9400 4.9997 4.9997 5.6858 5.6858 8.4982 8.4982 8.7281 8.7281 9.1250 9.1250 9.3852 9.3852 9.7398 9.7398 11.2392 11.2392 k = 0.0875 0.1007 0.6624 ( 6390 PWs) bands (ev): -23.4691 -23.4691 -9.6975 -9.6975 -7.3593 -7.3593 -7.1704 -7.1704 -7.0761 -7.0761 -6.7710 -6.7710 -6.6496 -6.6496 -6.6077 -6.6077 -2.5738 -2.5738 -0.2540 -0.2540 0.3011 0.3011 0.4912 0.4912 1.5223 1.5223 1.6835 1.6835 1.7153 1.7153 2.1307 2.1307 2.3837 2.3837 2.5347 2.5347 2.6757 2.6757 2.8769 2.8769 2.9872 2.9872 3.1958 3.1958 3.7004 3.7004 3.8355 3.8355 3.9773 3.9773 4.1407 4.1407 4.1741 4.1741 4.9332 4.9332 5.0063 5.0063 5.6605 5.6605 8.4798 8.4798 8.7480 8.7480 9.1142 9.1142 9.3805 9.3805 9.7617 9.7617 11.2178 11.2178 k = 0.1000 0.1151 0.6624 ( 6394 PWs) bands (ev): -23.4691 -23.4691 -9.6980 -9.6980 -7.3559 -7.3559 -7.1687 -7.1687 -7.0738 -7.0738 -6.7681 -6.7681 -6.6533 -6.6533 -6.6151 -6.6151 -2.5720 -2.5720 -0.2414 -0.2414 0.2845 0.2845 0.4887 0.4887 1.5274 1.5274 1.6825 1.6825 1.7154 1.7154 2.1286 2.1286 2.3868 2.3868 2.5331 2.5331 2.6770 2.6770 2.8721 2.8721 2.9913 2.9913 3.1902 3.1902 3.7094 3.7094 3.8388 3.8388 3.9841 3.9841 4.1409 4.1409 4.1799 4.1799 4.9257 4.9257 5.0142 5.0142 5.6326 5.6326 8.4605 8.4605 8.7688 8.7688 9.1025 9.1025 9.3748 9.3748 9.7880 9.7880 11.1884 11.1884 k = 0.1125 0.1295 0.6624 ( 6394 PWs) bands (ev): -23.4691 -23.4691 -9.6986 -9.6986 -7.3521 -7.3521 -7.1679 -7.1679 -7.0701 -7.0701 -6.7651 -6.7651 -6.6581 -6.6581 -6.6224 -6.6224 -2.5702 -2.5702 -0.2273 -0.2273 0.2662 0.2662 0.4860 0.4860 1.5328 1.5328 1.6813 1.6813 1.7157 1.7157 2.1265 2.1265 2.3901 2.3901 2.5312 2.5312 2.6784 2.6784 2.8670 2.8670 2.9960 2.9960 3.1839 3.1839 3.7189 3.7189 3.8422 3.8422 3.9916 3.9916 4.1410 4.1410 4.1862 4.1862 4.9176 4.9176 5.0235 5.0235 5.6026 5.6026 8.4408 8.4408 8.7899 8.7899 9.0902 9.0902 9.3682 9.3682 9.8192 9.8192 11.1517 11.1517 k = 0.1250 0.1438 0.6624 ( 6390 PWs) bands (ev): -23.4691 -23.4691 -9.6992 -9.6992 -7.3481 -7.3481 -7.1683 -7.1683 -7.0647 -7.0647 -6.7621 -6.7621 -6.6643 -6.6643 -6.6291 -6.6291 -2.5683 -2.5683 -0.2118 -0.2118 0.2464 0.2464 0.4832 0.4832 1.5385 1.5385 1.6799 1.6799 1.7160 1.7160 2.1243 2.1243 2.3937 2.3937 2.5292 2.5292 2.6799 2.6799 2.8618 2.8618 3.0013 3.0013 3.1771 3.1771 3.7288 3.7288 3.8454 3.8454 3.9995 3.9995 4.1409 4.1409 4.1928 4.1928 4.9091 4.9091 5.0342 5.0342 5.5708 5.5708 8.4213 8.4213 8.8106 8.8106 9.0775 9.0775 9.3607 9.3607 9.8554 9.8554 11.1084 11.1084 k = 0.1375 0.1582 0.6624 ( 6398 PWs) bands (ev): -23.4691 -23.4691 -9.6998 -9.6998 -7.3439 -7.3439 -7.1698 -7.1698 -7.0577 -7.0577 -6.7594 -6.7594 -6.6719 -6.6719 -6.6348 -6.6348 -2.5664 -2.5664 -0.1948 -0.1948 0.2253 0.2253 0.4805 0.4805 1.5442 1.5442 1.6782 1.6782 1.7163 1.7163 2.1221 2.1221 2.3973 2.3973 2.5272 2.5272 2.6815 2.6815 2.8565 2.8565 3.0070 3.0071 3.1699 3.1699 3.7387 3.7387 3.8485 3.8485 4.0077 4.0077 4.1406 4.1406 4.1995 4.1995 4.9004 4.9004 5.0466 5.0466 5.5377 5.5377 8.4024 8.4024 8.8305 8.8305 9.0646 9.0646 9.3527 9.3527 9.8967 9.8967 11.0589 11.0589 k = 0.1500 0.1726 0.6624 ( 6402 PWs) bands (ev): -23.4691 -23.4691 -9.7004 -9.7004 -7.3396 -7.3396 -7.1721 -7.1721 -7.0494 -7.0494 -6.7571 -6.7571 -6.6804 -6.6804 -6.6395 -6.6395 -2.5646 -2.5646 -0.1766 -0.1766 0.2031 0.2031 0.4778 0.4778 1.5498 1.5498 1.6764 1.6764 1.7168 1.7168 2.1199 2.1199 2.4009 2.4009 2.5250 2.5250 2.6832 2.6832 2.8513 2.8513 3.0132 3.0132 3.1622 3.1622 3.7485 3.7485 3.8512 3.8512 4.0159 4.0159 4.1401 4.1401 4.2063 4.2063 4.8918 4.8918 5.0605 5.0605 5.5037 5.5037 8.3845 8.3845 8.8493 8.8493 9.0517 9.0517 9.3444 9.3444 9.9431 9.9431 11.0041 11.0041 k = 0.1625 0.1870 0.6624 ( 6414 PWs) bands (ev): -23.4691 -23.4691 -9.7009 -9.7009 -7.3353 -7.3353 -7.1752 -7.1752 -7.0402 -7.0402 -6.7555 -6.7555 -6.6893 -6.6893 -6.6434 -6.6434 -2.5628 -2.5628 -0.1572 -0.1572 0.1799 0.1799 0.4752 0.4752 1.5553 1.5553 1.6745 1.6745 1.7172 1.7172 2.1179 2.1179 2.4044 2.4044 2.5228 2.5228 2.6848 2.6848 2.8463 2.8463 3.0198 3.0198 3.1543 3.1543 3.7580 3.7580 3.8535 3.8535 4.0242 4.0242 4.1393 4.1393 4.2129 4.2129 4.8834 4.8834 5.0761 5.0761 5.4692 5.4692 8.3679 8.3679 8.8667 8.8667 9.0391 9.0391 9.3361 9.3361 9.9944 9.9944 10.9445 10.9445 k = 0.1750 0.2014 0.6624 ( 6410 PWs) bands (ev): -23.4691 -23.4691 -9.7014 -9.7014 -7.3311 -7.3311 -7.1786 -7.1786 -7.0305 -7.0305 -6.7551 -6.7551 -6.6976 -6.6976 -6.6468 -6.6468 -2.5612 -2.5612 -0.1367 -0.1367 0.1560 0.1560 0.4729 0.4729 1.5605 1.5605 1.6726 1.6726 1.7177 1.7177 2.1160 2.1160 2.4079 2.4079 2.5208 2.5208 2.6865 2.6865 2.8417 2.8417 3.0266 3.0266 3.1462 3.1462 3.7670 3.7670 3.8553 3.8553 4.0321 4.0321 4.1383 4.1383 4.2191 4.2191 4.8754 4.8754 5.0934 5.0934 5.4346 5.4346 8.3531 8.3531 8.8828 8.8828 9.0266 9.0266 9.3280 9.3280 10.0502 10.0502 10.8809 10.8809 k = 0.1875 0.2158 0.6624 ( 6414 PWs) bands (ev): -23.4691 -23.4691 -9.7019 -9.7019 -7.3272 -7.3272 -7.1822 -7.1822 -7.0207 -7.0207 -6.7562 -6.7562 -6.7045 -6.7045 -6.6496 -6.6496 -2.5598 -2.5598 -0.1152 -0.1152 0.1314 0.1314 0.4708 0.4708 1.5653 1.5653 1.6706 1.6706 1.7182 1.7182 2.1143 2.1143 2.4110 2.4110 2.5188 2.5188 2.6880 2.6880 2.8375 2.8375 3.0337 3.0337 3.1381 3.1381 3.7752 3.7752 3.8566 3.8566 4.0396 4.0396 4.1371 4.1371 4.2248 4.2248 4.8682 4.8682 5.1124 5.1124 5.4003 5.4003 8.3401 8.3401 8.8976 8.8976 9.0145 9.0145 9.3206 9.3206 10.1103 10.1103 10.8141 10.8141 k = 0.2000 0.2301 0.6624 ( 6424 PWs) bands (ev): -23.4691 -23.4691 -9.7023 -9.7023 -7.3236 -7.3236 -7.1856 -7.1856 -7.0114 -7.0114 -6.7589 -6.7589 -6.7094 -6.7094 -6.6520 -6.6520 -2.5586 -2.5586 -0.0928 -0.0928 0.1064 0.1064 0.4690 0.4690 1.5695 1.5695 1.6688 1.6688 1.7185 1.7185 2.1129 2.1129 2.4138 2.4138 2.5170 2.5170 2.6893 2.6893 2.8339 2.8339 3.0407 3.0407 3.1301 3.1301 3.7824 3.7824 3.8575 3.8575 4.0463 4.0463 4.1358 4.1358 4.2297 4.2297 4.8620 4.8620 5.1331 5.1331 5.3666 5.3666 8.3293 8.3293 8.9112 8.9112 9.0028 9.0028 9.3140 9.3140 10.1740 10.1740 10.7447 10.7447 k = 0.2125 0.2445 0.6624 ( 6420 PWs) bands (ev): -23.4691 -23.4691 -9.7026 -9.7026 -7.3206 -7.3206 -7.1886 -7.1886 -7.0032 -7.0032 -6.7628 -6.7628 -6.7123 -6.7123 -6.6539 -6.6539 -2.5576 -2.5576 -0.0696 -0.0696 0.0812 0.0812 0.4675 0.4675 1.5729 1.5729 1.6672 1.6672 1.7189 1.7189 2.1117 2.1117 2.4161 2.4161 2.5155 2.5155 2.6905 2.6905 2.8310 2.8310 3.0474 3.0474 3.1226 3.1226 3.7885 3.7885 3.8579 3.8579 4.0520 4.0520 4.1345 4.1345 4.2338 4.2338 4.8569 4.8569 5.1553 5.1553 5.3339 5.3339 8.3207 8.3207 8.9239 8.9239 8.9914 8.9914 9.3086 9.3086 10.2409 10.2409 10.6733 10.6733 k = 0.2250 0.2589 0.6624 ( 6412 PWs) bands (ev): -23.4691 -23.4691 -9.7028 -9.7028 -7.3183 -7.3183 -7.1909 -7.1909 -6.9967 -6.9967 -6.7668 -6.7668 -6.7137 -6.7137 -6.6553 -6.6553 -2.5569 -2.5569 -0.0459 -0.0459 0.0560 0.0560 0.4665 0.4665 1.5756 1.5756 1.6660 1.6660 1.7191 1.7191 2.1109 2.1109 2.4178 2.4178 2.5143 2.5143 2.6914 2.6914 2.8289 2.8289 3.0533 3.0533 3.1161 3.1161 3.7931 3.7931 3.8581 3.8581 4.0564 4.0564 4.1333 4.1333 4.2368 4.2368 4.8531 4.8531 5.1788 5.1788 5.3029 5.3029 8.3145 8.3145 8.9357 8.9357 8.9803 8.9803 9.3046 9.3046 10.3103 10.3103 10.6007 10.6007 k = 0.2375 0.2733 0.6624 ( 6426 PWs) bands (ev): -23.4691 -23.4691 -9.7029 -9.7029 -7.3168 -7.3168 -7.1924 -7.1924 -6.9926 -6.9926 -6.7696 -6.7696 -6.7143 -6.7143 -6.6562 -6.6562 -2.5564 -2.5564 -0.0221 -0.0221 0.0313 0.0313 0.4658 0.4658 1.5772 1.5772 1.6652 1.6652 1.7193 1.7193 2.1103 2.1103 2.4189 2.4189 2.5136 2.5136 2.6919 2.6919 2.8275 2.8275 3.0576 3.0576 3.1115 3.1115 3.7959 3.7959 3.8581 3.8581 4.0591 4.0591 4.1325 4.1325 4.2386 4.2386 4.8507 4.8507 5.2018 5.2018 5.2752 5.2752 8.3108 8.3108 8.9469 8.9469 8.9695 8.9695 9.3021 9.3021 10.3815 10.3815 10.5275 10.5275 k = 0.2500 0.2877 0.6624 ( 6432 PWs) bands (ev): -23.4691 -23.4691 -9.7030 -9.7030 -7.3163 -7.3163 -7.1929 -7.1929 -6.9911 -6.9911 -6.7707 -6.7707 -6.7144 -6.7144 -6.6565 -6.6565 -2.5563 -2.5563 -0.0046 -0.0046 0.0135 0.0135 0.4656 0.4656 1.5777 1.5777 1.6650 1.6650 1.7193 1.7193 2.1101 2.1101 2.4193 2.4193 2.5133 2.5133 2.6921 2.6921 2.8270 2.8270 3.0592 3.0592 3.1097 3.1097 3.7969 3.7969 3.8581 3.8581 4.0601 4.0601 4.1322 4.1322 4.2393 4.2393 4.8499 4.8499 5.2152 5.2152 5.2603 5.2603 8.3095 8.3095 8.9556 8.9556 8.9608 8.9608 9.3013 9.3013 10.4504 10.4504 10.4580 10.4580 Writing output data file KAg2PS4.save init_run : 1.44s CPU 0.83s WALL ( 1 calls) electrons : 432.86s CPU 347.55s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.14s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 432.84s CPU 347.54s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.01s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.45s CPU 0.25s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.30s CPU 0.42s WALL ( 274 calls) cegterg : 358.81s CPU 305.62s WALL ( 303 calls) Called by sum_band: Called by *egterg: h_psi : 264.97s CPU 192.79s WALL ( 5437 calls) s_psi : 21.24s CPU 16.76s WALL ( 5437 calls) g_psi : 0.22s CPU 0.20s WALL ( 4860 calls) cdiaghg : 111.07s CPU 106.38s WALL ( 5134 calls) cegterg:over : 11.36s CPU 11.08s WALL ( 4860 calls) cegterg:upda : 7.16s CPU 6.79s WALL ( 4860 calls) cegterg:last : 3.60s CPU 3.61s WALL ( 851 calls) cdiaghg:chol : 4.71s CPU 4.61s WALL ( 5134 calls) cdiaghg:inve : 3.33s CPU 3.21s WALL ( 5134 calls) cdiaghg:para : 6.27s CPU 6.24s WALL ( 10268 calls) Called by h_psi: h_psi:vloc : 229.76s CPU 165.12s WALL ( 5437 calls) h_psi:vnl : 34.96s CPU 27.48s WALL ( 5437 calls) add_vuspsi : 20.72s CPU 15.74s WALL ( 5437 calls) General routines calbec : 14.20s CPU 11.73s WALL ( 5437 calls) fft : 0.09s CPU 0.05s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 223.46s CPU 160.17s WALL ( 876200 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.32s CPU 0.81s WALL ( 548 calls) Parallel routines fft_scatter : 116.50s CPU 94.13s WALL ( 876223 calls) PWSCF : 7m51.50s CPU 6m40.28s WALL This run was terminated on: 12:29: 7 15Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=