Program PWSCF v.5.4.0 starts on 15Mar2017 at 12:17:39 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: ./KAg2AsO4.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 37 21 6 1136 491 76 Max 38 22 7 1141 513 77 Sum 2723 1583 457 82027 36329 5531 bravais-lattice index = 14 lattice parameter (alat) = 10.3439 a.u. unit-cell volume = 832.6982 (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 = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.343853 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.418442 celldm(5)= -0.418442 celldm(6)= -0.163115 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.163115 0.986607 0.000000 ) a(3) = ( -0.418442 -0.493304 0.762599 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.165329 0.655652 ) b(2) = ( 0.000000 1.013575 0.655652 ) b(3) = ( 0.000000 0.000000 1.311305 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) As 5.00 74.92160 As( 1.00) K 9.00 39.09830 K( 1.00) Ag 11.00 107.86820 Ag( 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= 311 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 2) = ( 0.0000000 0.0000000 0.0172540), wk = 0.0032154 k( 3) = ( 0.0000000 0.0000000 0.0345080), wk = 0.0032154 k( 4) = ( 0.0000000 0.0000000 0.0517620), wk = 0.0032154 k( 5) = ( 0.0000000 0.0000000 0.0690160), wk = 0.0032154 k( 6) = ( 0.0000000 0.0000000 0.0862700), wk = 0.0032154 k( 7) = ( 0.0000000 0.0000000 0.1035241), wk = 0.0032154 k( 8) = ( 0.0000000 0.0000000 0.1207781), wk = 0.0032154 k( 9) = ( 0.0000000 0.0000000 0.1380321), wk = 0.0032154 k( 10) = ( 0.0000000 0.0000000 0.1552861), wk = 0.0032154 k( 11) = ( 0.0000000 0.0000000 0.1725401), wk = 0.0032154 k( 12) = ( 0.0000000 0.0000000 0.1897941), wk = 0.0032154 k( 13) = ( 0.0000000 0.0000000 0.2070481), wk = 0.0032154 k( 14) = ( 0.0000000 0.0000000 0.2243021), wk = 0.0032154 k( 15) = ( 0.0000000 0.0000000 0.2415562), wk = 0.0032154 k( 16) = ( 0.0000000 0.0000000 0.2588102), wk = 0.0032154 k( 17) = ( 0.0000000 0.0000000 0.2760642), wk = 0.0032154 k( 18) = ( 0.0000000 0.0000000 0.2933182), wk = 0.0032154 k( 19) = ( 0.0000000 0.0000000 0.3105722), wk = 0.0032154 k( 20) = ( 0.0000000 0.0000000 0.3278262), wk = 0.0032154 k( 21) = ( 0.0000000 0.0000000 0.3450802), wk = 0.0032154 k( 22) = ( 0.0000000 0.0000000 0.3623342), wk = 0.0032154 k( 23) = ( 0.0000000 0.0000000 0.3795882), wk = 0.0032154 k( 24) = ( 0.0000000 0.0000000 0.3968423), wk = 0.0032154 k( 25) = ( 0.0000000 0.0000000 0.4140963), wk = 0.0032154 k( 26) = ( 0.0000000 0.0000000 0.4313503), wk = 0.0032154 k( 27) = ( 0.0000000 0.0000000 0.4486043), wk = 0.0032154 k( 28) = ( 0.0000000 0.0000000 0.4658583), wk = 0.0032154 k( 29) = ( 0.0000000 0.0000000 0.4831123), wk = 0.0032154 k( 30) = ( 0.0000000 0.0000000 0.5003663), wk = 0.0032154 k( 31) = ( 0.0000000 0.0000000 0.5176203), wk = 0.0032154 k( 32) = ( 0.0000000 0.0000000 0.5348743), wk = 0.0032154 k( 33) = ( 0.0000000 0.0000000 0.5521283), wk = 0.0032154 k( 34) = ( 0.0000000 0.0000000 0.5693824), wk = 0.0032154 k( 35) = ( 0.0000000 0.0000000 0.5866364), wk = 0.0032154 k( 36) = ( 0.0000000 0.0000000 0.6038904), wk = 0.0032154 k( 37) = ( 0.0000000 0.0000000 0.6211444), wk = 0.0032154 k( 38) = ( 0.0000000 0.0000000 0.6383984), wk = 0.0032154 k( 39) = ( 0.0000000 0.0000000 0.6556524), wk = 0.0032154 k( 40) = ( 0.0000000 0.0000000 0.6556524), wk = 0.0032154 k( 41) = ( -0.0128687 0.0109158 0.6556524), wk = 0.0032154 k( 42) = ( -0.0257373 0.0218316 0.6556524), wk = 0.0032154 k( 43) = ( -0.0386060 0.0327473 0.6556524), wk = 0.0032154 k( 44) = ( -0.0514746 0.0436631 0.6556524), wk = 0.0032154 k( 45) = ( -0.0643433 0.0545789 0.6556524), wk = 0.0032154 k( 46) = ( -0.0772119 0.0654947 0.6556524), wk = 0.0032154 k( 47) = ( -0.0900806 0.0764105 0.6556524), wk = 0.0032154 k( 48) = ( -0.1029492 0.0873262 0.6556524), wk = 0.0032154 k( 49) = ( -0.1158179 0.0982420 0.6556524), wk = 0.0032154 k( 50) = ( -0.1286866 0.1091578 0.6556524), wk = 0.0032154 k( 51) = ( -0.1415552 0.1200736 0.6556524), wk = 0.0032154 k( 52) = ( -0.1544239 0.1309893 0.6556524), wk = 0.0032154 k( 53) = ( -0.1672925 0.1419051 0.6556524), wk = 0.0032154 k( 54) = ( -0.1801612 0.1528209 0.6556524), wk = 0.0032154 k( 55) = ( -0.1930298 0.1637367 0.6556524), wk = 0.0032154 k( 56) = ( -0.2058985 0.1746524 0.6556524), wk = 0.0032154 k( 57) = ( -0.2187671 0.1855682 0.6556524), wk = 0.0032154 k( 58) = ( -0.2316358 0.1964840 0.6556524), wk = 0.0032154 k( 59) = ( -0.2445045 0.2073998 0.6556524), wk = 0.0032154 k( 60) = ( -0.2573731 0.2183156 0.6556524), wk = 0.0032154 k( 61) = ( -0.2702418 0.2292313 0.6556524), wk = 0.0032154 k( 62) = ( -0.2831104 0.2401471 0.6556524), wk = 0.0032154 k( 63) = ( -0.2959791 0.2510629 0.6556524), wk = 0.0032154 k( 64) = ( -0.3088477 0.2619787 0.6556524), wk = 0.0032154 k( 65) = ( -0.3217164 0.2728945 0.6556524), wk = 0.0032154 k( 66) = ( -0.3345850 0.2838102 0.6556524), wk = 0.0032154 k( 67) = ( -0.3474537 0.2947260 0.6556524), wk = 0.0032154 k( 68) = ( -0.3474537 0.2947260 0.6556524), wk = 0.0032154 k( 69) = ( -0.3559285 0.3019147 0.6445394), wk = 0.0032154 k( 70) = ( -0.3644033 0.3091034 0.6334263), wk = 0.0032154 k( 71) = ( -0.3728781 0.3162921 0.6223133), wk = 0.0032154 k( 72) = ( -0.3813529 0.3234808 0.6112003), wk = 0.0032154 k( 73) = ( -0.3898277 0.3306695 0.6000872), wk = 0.0032154 k( 74) = ( -0.3983025 0.3378583 0.5889742), wk = 0.0032154 k( 75) = ( -0.4067772 0.3450470 0.5778611), wk = 0.0032154 k( 76) = ( -0.4152520 0.3522357 0.5667481), wk = 0.0032154 k( 77) = ( -0.4237268 0.3594244 0.5556351), wk = 0.0032154 k( 78) = ( -0.4237268 0.3594244 0.5556351), wk = 0.0032154 k( 79) = ( -0.4145154 0.3516108 0.5435560), wk = 0.0032154 k( 80) = ( -0.4053039 0.3437972 0.5314770), wk = 0.0032154 k( 81) = ( -0.3960925 0.3359837 0.5193980), wk = 0.0032154 k( 82) = ( -0.3868810 0.3281701 0.5073190), wk = 0.0032154 k( 83) = ( -0.3776696 0.3203565 0.4952399), wk = 0.0032154 k( 84) = ( -0.3684581 0.3125429 0.4831609), wk = 0.0032154 k( 85) = ( -0.3592467 0.3047294 0.4710819), wk = 0.0032154 k( 86) = ( -0.3500352 0.2969158 0.4590029), wk = 0.0032154 k( 87) = ( -0.3408238 0.2891022 0.4469239), wk = 0.0032154 k( 88) = ( -0.3316123 0.2812886 0.4348448), wk = 0.0032154 k( 89) = ( -0.3224009 0.2734751 0.4227658), wk = 0.0032154 k( 90) = ( -0.3131894 0.2656615 0.4106868), wk = 0.0032154 k( 91) = ( -0.3039779 0.2578479 0.3986078), wk = 0.0032154 k( 92) = ( -0.2947665 0.2500343 0.3865287), wk = 0.0032154 k( 93) = ( -0.2855550 0.2422208 0.3744497), wk = 0.0032154 k( 94) = ( -0.2763436 0.2344072 0.3623707), wk = 0.0032154 k( 95) = ( -0.2671321 0.2265936 0.3502917), wk = 0.0032154 k( 96) = ( -0.2579207 0.2187801 0.3382126), wk = 0.0032154 k( 97) = ( -0.2487092 0.2109665 0.3261336), wk = 0.0032154 k( 98) = ( -0.2394978 0.2031529 0.3140546), wk = 0.0032154 k( 99) = ( -0.2302863 0.1953393 0.3019756), wk = 0.0032154 k( 100) = ( -0.2210749 0.1875258 0.2898966), wk = 0.0032154 k( 101) = ( -0.2118634 0.1797122 0.2778175), wk = 0.0032154 k( 102) = ( -0.2026520 0.1718986 0.2657385), wk = 0.0032154 k( 103) = ( -0.1934405 0.1640850 0.2536595), wk = 0.0032154 k( 104) = ( -0.1842291 0.1562715 0.2415805), wk = 0.0032154 k( 105) = ( -0.1750176 0.1484579 0.2295014), wk = 0.0032154 k( 106) = ( -0.1658062 0.1406443 0.2174224), wk = 0.0032154 k( 107) = ( -0.1565947 0.1328307 0.2053434), wk = 0.0032154 k( 108) = ( -0.1473832 0.1250172 0.1932644), wk = 0.0032154 k( 109) = ( -0.1381718 0.1172036 0.1811853), wk = 0.0032154 k( 110) = ( -0.1289603 0.1093900 0.1691063), wk = 0.0032154 k( 111) = ( -0.1197489 0.1015765 0.1570273), wk = 0.0032154 k( 112) = ( -0.1105374 0.0937629 0.1449483), wk = 0.0032154 k( 113) = ( -0.1013260 0.0859493 0.1328692), wk = 0.0032154 k( 114) = ( -0.0921145 0.0781357 0.1207902), wk = 0.0032154 k( 115) = ( -0.0829031 0.0703222 0.1087112), wk = 0.0032154 k( 116) = ( -0.0736916 0.0625086 0.0966322), wk = 0.0032154 k( 117) = ( -0.0644802 0.0546950 0.0845532), wk = 0.0032154 k( 118) = ( -0.0552687 0.0468814 0.0724741), wk = 0.0032154 k( 119) = ( -0.0460573 0.0390679 0.0603951), wk = 0.0032154 k( 120) = ( -0.0368458 0.0312543 0.0483161), wk = 0.0032154 k( 121) = ( -0.0276344 0.0234407 0.0362371), wk = 0.0032154 k( 122) = ( -0.0184229 0.0156271 0.0241581), wk = 0.0032154 k( 123) = ( -0.0092114 0.0078136 0.0120790), wk = 0.0032154 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 126) = ( 0.0111111 0.0130989 -0.0000000), wk = 0.0032154 k( 127) = ( 0.0222222 0.0261979 -0.0000000), wk = 0.0032154 k( 128) = ( 0.0333333 0.0392968 0.0000000), wk = 0.0032154 k( 129) = ( 0.0444444 0.0523957 -0.0000000), wk = 0.0032154 k( 130) = ( 0.0555556 0.0654947 0.0000000), wk = 0.0032154 k( 131) = ( 0.0666667 0.0785936 0.0000000), wk = 0.0032154 k( 132) = ( 0.0777778 0.0916925 0.0000000), wk = 0.0032154 k( 133) = ( 0.0888889 0.1047915 0.0000000), wk = 0.0032154 k( 134) = ( 0.1000000 0.1178904 -0.0000000), wk = 0.0032154 k( 135) = ( 0.1111111 0.1309893 0.0000000), wk = 0.0032154 k( 136) = ( 0.1222222 0.1440883 -0.0000000), wk = 0.0032154 k( 137) = ( 0.1333333 0.1571872 0.0000000), wk = 0.0032154 k( 138) = ( 0.1444444 0.1702861 0.0000000), wk = 0.0032154 k( 139) = ( 0.1555556 0.1833851 0.0000000), wk = 0.0032154 k( 140) = ( 0.1666667 0.1964840 -0.0000000), wk = 0.0032154 k( 141) = ( 0.1777778 0.2095829 0.0000000), wk = 0.0032154 k( 142) = ( 0.1888889 0.2226819 0.0000000), wk = 0.0032154 k( 143) = ( 0.2000000 0.2357808 -0.0000000), wk = 0.0032154 k( 144) = ( 0.2111111 0.2488797 -0.0000000), wk = 0.0032154 k( 145) = ( 0.2222222 0.2619787 0.0000000), wk = 0.0032154 k( 146) = ( 0.2333333 0.2750776 -0.0000000), wk = 0.0032154 k( 147) = ( 0.2444444 0.2881765 -0.0000000), wk = 0.0032154 k( 148) = ( 0.2555556 0.3012755 0.0000000), wk = 0.0032154 k( 149) = ( 0.2666667 0.3143744 0.0000000), wk = 0.0032154 k( 150) = ( 0.2777778 0.3274733 0.0000000), wk = 0.0032154 k( 151) = ( 0.2888889 0.3405723 0.0000000), wk = 0.0032154 k( 152) = ( 0.3000000 0.3536712 0.0000000), wk = 0.0032154 k( 153) = ( 0.3111111 0.3667701 0.0000000), wk = 0.0032154 k( 154) = ( 0.3222222 0.3798691 0.0000000), wk = 0.0032154 k( 155) = ( 0.3333333 0.3929680 -0.0000000), wk = 0.0032154 k( 156) = ( 0.3444444 0.4060669 0.0000000), wk = 0.0032154 k( 157) = ( 0.3555556 0.4191659 0.0000000), wk = 0.0032154 k( 158) = ( 0.3666667 0.4322648 0.0000000), wk = 0.0032154 k( 159) = ( 0.3777778 0.4453638 0.0000000), wk = 0.0032154 k( 160) = ( 0.3888889 0.4584627 -0.0000000), wk = 0.0032154 k( 161) = ( 0.4000000 0.4715616 -0.0000000), wk = 0.0032154 k( 162) = ( 0.4111111 0.4846606 0.0000000), wk = 0.0032154 k( 163) = ( 0.4222222 0.4977595 -0.0000000), wk = 0.0032154 k( 164) = ( 0.4333333 0.5108584 -0.0000000), wk = 0.0032154 k( 165) = ( 0.4444444 0.5239574 0.0000000), wk = 0.0032154 k( 166) = ( 0.4555556 0.5370563 -0.0000000), wk = 0.0032154 k( 167) = ( 0.4666667 0.5501552 0.0000000), wk = 0.0032154 k( 168) = ( 0.4777778 0.5632542 -0.0000000), wk = 0.0032154 k( 169) = ( 0.4888889 0.5763531 0.0000000), wk = 0.0032154 k( 170) = ( 0.5000000 0.5894520 0.0000000), wk = 0.0032154 k( 171) = ( 0.5000000 0.5894520 0.0000000), wk = 0.0032154 k( 172) = ( 0.4915252 0.5966407 0.0111130), wk = 0.0032154 k( 173) = ( 0.4830504 0.6038294 0.0222261), wk = 0.0032154 k( 174) = ( 0.4745756 0.6110181 0.0333391), wk = 0.0032154 k( 175) = ( 0.4661008 0.6182069 0.0444522), wk = 0.0032154 k( 176) = ( 0.4576260 0.6253956 0.0555652), wk = 0.0032154 k( 177) = ( 0.4491512 0.6325843 0.0666782), wk = 0.0032154 k( 178) = ( 0.4406764 0.6397730 0.0777913), wk = 0.0032154 k( 179) = ( 0.4322016 0.6469617 0.0889043), wk = 0.0032154 k( 180) = ( 0.4237268 0.6541504 0.1000174), wk = 0.0032154 k( 181) = ( 0.4237268 0.6541504 0.1000174), wk = 0.0032154 k( 182) = ( 0.4091156 0.6490689 0.1078728), wk = 0.0032154 k( 183) = ( 0.3945043 0.6439874 0.1157283), wk = 0.0032154 k( 184) = ( 0.3798930 0.6389059 0.1235838), wk = 0.0032154 k( 185) = ( 0.3652818 0.6338244 0.1314393), wk = 0.0032154 k( 186) = ( 0.3506705 0.6287430 0.1392947), wk = 0.0032154 k( 187) = ( 0.3360592 0.6236615 0.1471502), wk = 0.0032154 k( 188) = ( 0.3214479 0.6185800 0.1550057), wk = 0.0032154 k( 189) = ( 0.3068367 0.6134985 0.1628612), wk = 0.0032154 k( 190) = ( 0.2922254 0.6084170 0.1707167), wk = 0.0032154 k( 191) = ( 0.2776141 0.6033356 0.1785721), wk = 0.0032154 k( 192) = ( 0.2630029 0.5982541 0.1864276), wk = 0.0032154 k( 193) = ( 0.2483916 0.5931726 0.1942831), wk = 0.0032154 k( 194) = ( 0.2337803 0.5880911 0.2021386), wk = 0.0032154 k( 195) = ( 0.2191691 0.5830096 0.2099940), wk = 0.0032154 k( 196) = ( 0.2045578 0.5779281 0.2178495), wk = 0.0032154 k( 197) = ( 0.1899465 0.5728467 0.2257050), wk = 0.0032154 k( 198) = ( 0.1753352 0.5677652 0.2335605), wk = 0.0032154 k( 199) = ( 0.1607240 0.5626837 0.2414160), wk = 0.0032154 k( 200) = ( 0.1461127 0.5576022 0.2492714), wk = 0.0032154 k( 201) = ( 0.1315014 0.5525207 0.2571269), wk = 0.0032154 k( 202) = ( 0.1168902 0.5474392 0.2649824), wk = 0.0032154 k( 203) = ( 0.1022789 0.5423578 0.2728379), wk = 0.0032154 k( 204) = ( 0.0876676 0.5372763 0.2806933), wk = 0.0032154 k( 205) = ( 0.0730564 0.5321948 0.2885488), wk = 0.0032154 k( 206) = ( 0.0584451 0.5271133 0.2964043), wk = 0.0032154 k( 207) = ( 0.0438338 0.5220318 0.3042598), wk = 0.0032154 k( 208) = ( 0.0292225 0.5169503 0.3121153), wk = 0.0032154 k( 209) = ( 0.0146113 0.5118689 0.3199707), wk = 0.0032154 k( 210) = ( 0.0000000 0.5067874 0.3278262), wk = 0.0032154 k( 211) = ( 0.0000000 0.5067874 0.3278262), wk = 0.0032154 k( 212) = ( 0.0092593 0.4989333 0.3399679), wk = 0.0032154 k( 213) = ( 0.0185185 0.4910791 0.3521096), wk = 0.0032154 k( 214) = ( 0.0277778 0.4832250 0.3642513), wk = 0.0032154 k( 215) = ( 0.0370370 0.4753709 0.3763931), wk = 0.0032154 k( 216) = ( 0.0462963 0.4675167 0.3885348), wk = 0.0032154 k( 217) = ( 0.0555556 0.4596626 0.4006765), wk = 0.0032154 k( 218) = ( 0.0648148 0.4518085 0.4128182), wk = 0.0032154 k( 219) = ( 0.0740741 0.4439544 0.4249599), wk = 0.0032154 k( 220) = ( 0.0833333 0.4361003 0.4371016), wk = 0.0032154 k( 221) = ( 0.0925926 0.4282461 0.4492433), wk = 0.0032154 k( 222) = ( 0.1018518 0.4203920 0.4613850), wk = 0.0032154 k( 223) = ( 0.1111111 0.4125379 0.4735267), wk = 0.0032154 k( 224) = ( 0.1203704 0.4046838 0.4856685), wk = 0.0032154 k( 225) = ( 0.1296296 0.3968296 0.4978102), wk = 0.0032154 k( 226) = ( 0.1388889 0.3889755 0.5099519), wk = 0.0032154 k( 227) = ( 0.1481482 0.3811214 0.5220936), wk = 0.0032154 k( 228) = ( 0.1574074 0.3732673 0.5342353), wk = 0.0032154 k( 229) = ( 0.1666667 0.3654131 0.5463770), wk = 0.0032154 k( 230) = ( 0.1759259 0.3575590 0.5585187), wk = 0.0032154 k( 231) = ( 0.1851852 0.3497049 0.5706604), wk = 0.0032154 k( 232) = ( 0.1944444 0.3418508 0.5828021), wk = 0.0032154 k( 233) = ( 0.2037037 0.3339966 0.5949439), wk = 0.0032154 k( 234) = ( 0.2129630 0.3261425 0.6070856), wk = 0.0032154 k( 235) = ( 0.2222222 0.3182884 0.6192273), wk = 0.0032154 k( 236) = ( 0.2314815 0.3104343 0.6313690), wk = 0.0032154 k( 237) = ( 0.2407407 0.3025801 0.6435107), wk = 0.0032154 k( 238) = ( 0.2500000 0.2947260 0.6556524), wk = 0.0032154 k( 239) = ( 0.2500000 0.2947260 0.6556524), wk = 0.0032154 k( 240) = ( 0.2571429 0.3031468 0.6426348), wk = 0.0032154 k( 241) = ( 0.2642857 0.3115675 0.6296171), wk = 0.0032154 k( 242) = ( 0.2714286 0.3199882 0.6165995), wk = 0.0032154 k( 243) = ( 0.2785714 0.3284090 0.6035818), wk = 0.0032154 k( 244) = ( 0.2857143 0.3368297 0.5905642), wk = 0.0032154 k( 245) = ( 0.2928571 0.3452505 0.5775465), wk = 0.0032154 k( 246) = ( 0.3000000 0.3536712 0.5645289), wk = 0.0032154 k( 247) = ( 0.3071429 0.3620920 0.5515112), wk = 0.0032154 k( 248) = ( 0.3142857 0.3705127 0.5384936), wk = 0.0032154 k( 249) = ( 0.3214286 0.3789334 0.5254759), wk = 0.0032154 k( 250) = ( 0.3285714 0.3873542 0.5124583), wk = 0.0032154 k( 251) = ( 0.3357143 0.3957749 0.4994406), wk = 0.0032154 k( 252) = ( 0.3428571 0.4041957 0.4864230), wk = 0.0032154 k( 253) = ( 0.3500000 0.4126164 0.4734053), wk = 0.0032154 k( 254) = ( 0.3571429 0.4210372 0.4603877), wk = 0.0032154 k( 255) = ( 0.3642857 0.4294579 0.4473700), wk = 0.0032154 k( 256) = ( 0.3714286 0.4378786 0.4343524), wk = 0.0032154 k( 257) = ( 0.3785714 0.4462994 0.4213347), wk = 0.0032154 k( 258) = ( 0.3857143 0.4547201 0.4083171), wk = 0.0032154 k( 259) = ( 0.3928571 0.4631409 0.3952994), wk = 0.0032154 k( 260) = ( 0.4000000 0.4715616 0.3822818), wk = 0.0032154 k( 261) = ( 0.4071429 0.4799824 0.3692641), wk = 0.0032154 k( 262) = ( 0.4142857 0.4884031 0.3562465), wk = 0.0032154 k( 263) = ( 0.4214286 0.4968238 0.3432288), wk = 0.0032154 k( 264) = ( 0.4285714 0.5052446 0.3302112), wk = 0.0032154 k( 265) = ( 0.4357143 0.5136653 0.3171936), wk = 0.0032154 k( 266) = ( 0.4428571 0.5220861 0.3041759), wk = 0.0032154 k( 267) = ( 0.4500000 0.5305068 0.2911583), wk = 0.0032154 k( 268) = ( 0.4571429 0.5389276 0.2781406), wk = 0.0032154 k( 269) = ( 0.4642857 0.5473483 0.2651230), wk = 0.0032154 k( 270) = ( 0.4714286 0.5557691 0.2521053), wk = 0.0032154 k( 271) = ( 0.4785714 0.5641898 0.2390877), wk = 0.0032154 k( 272) = ( 0.4857143 0.5726105 0.2260700), wk = 0.0032154 k( 273) = ( 0.4928571 0.5810313 0.2130524), wk = 0.0032154 k( 274) = ( 0.5000000 0.5894520 0.2000347), wk = 0.0032154 k( 275) = ( 0.5000000 0.5894520 0.2000347), wk = 0.0032154 k( 276) = ( 0.5000000 0.5894520 0.1833652), wk = 0.0032154 k( 277) = ( 0.5000000 0.5894520 0.1666956), wk = 0.0032154 k( 278) = ( 0.5000000 0.5894520 0.1500260), wk = 0.0032154 k( 279) = ( 0.5000000 0.5894520 0.1333565), wk = 0.0032154 k( 280) = ( 0.5000000 0.5894520 0.1166869), wk = 0.0032154 k( 281) = ( 0.5000000 0.5894520 0.1000174), wk = 0.0032154 k( 282) = ( 0.5000000 0.5894520 0.0833478), wk = 0.0032154 k( 283) = ( 0.5000000 0.5894520 0.0666782), wk = 0.0032154 k( 284) = ( 0.5000000 0.5894520 0.0500087), wk = 0.0032154 k( 285) = ( 0.5000000 0.5894520 0.0333391), wk = 0.0032154 k( 286) = ( 0.5000000 0.5894520 0.0166696), wk = 0.0032154 k( 287) = ( 0.5000000 0.5894520 0.0000000), wk = 0.0032154 k( 288) = ( 0.0000000 0.0000000 0.6556524), wk = 0.0032154 k( 289) = ( 0.0108696 0.0128142 0.6556524), wk = 0.0032154 k( 290) = ( 0.0217391 0.0256283 0.6556524), wk = 0.0032154 k( 291) = ( 0.0326087 0.0384425 0.6556524), wk = 0.0032154 k( 292) = ( 0.0434783 0.0512567 0.6556524), wk = 0.0032154 k( 293) = ( 0.0543478 0.0640709 0.6556524), wk = 0.0032154 k( 294) = ( 0.0652174 0.0768850 0.6556524), wk = 0.0032154 k( 295) = ( 0.0760870 0.0896992 0.6556524), wk = 0.0032154 k( 296) = ( 0.0869565 0.1025134 0.6556524), wk = 0.0032154 k( 297) = ( 0.0978261 0.1153276 0.6556524), wk = 0.0032154 k( 298) = ( 0.1086957 0.1281417 0.6556524), wk = 0.0032154 k( 299) = ( 0.1195652 0.1409559 0.6556524), wk = 0.0032154 k( 300) = ( 0.1304348 0.1537701 0.6556524), wk = 0.0032154 k( 301) = ( 0.1413043 0.1665843 0.6556524), wk = 0.0032154 k( 302) = ( 0.1521739 0.1793984 0.6556524), wk = 0.0032154 k( 303) = ( 0.1630435 0.1922126 0.6556524), wk = 0.0032154 k( 304) = ( 0.1739130 0.2050268 0.6556524), wk = 0.0032154 k( 305) = ( 0.1847826 0.2178410 0.6556524), wk = 0.0032154 k( 306) = ( 0.1956522 0.2306551 0.6556524), wk = 0.0032154 k( 307) = ( 0.2065217 0.2434693 0.6556524), wk = 0.0032154 k( 308) = ( 0.2173913 0.2562835 0.6556524), wk = 0.0032154 k( 309) = ( 0.2282609 0.2690977 0.6556524), wk = 0.0032154 k( 310) = ( 0.2391304 0.2819118 0.6556524), wk = 0.0032154 k( 311) = ( 0.2500000 0.2947260 0.6556524), wk = 0.0032154 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 2) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0032154 k( 3) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0032154 k( 4) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0032154 k( 5) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0032154 k( 6) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0032154 k( 7) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0032154 k( 8) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0032154 k( 9) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0032154 k( 10) = ( 0.0000000 0.0000000 0.1184211), wk = 0.0032154 k( 11) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0032154 k( 12) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0032154 k( 13) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0032154 k( 14) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0032154 k( 15) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0032154 k( 16) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0032154 k( 17) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0032154 k( 18) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0032154 k( 19) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0032154 k( 20) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032154 k( 21) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0032154 k( 22) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0032154 k( 23) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0032154 k( 24) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0032154 k( 25) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0032154 k( 26) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0032154 k( 27) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0032154 k( 28) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0032154 k( 29) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0032154 k( 30) = ( 0.0000000 0.0000000 0.3815790), wk = 0.0032154 k( 31) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0032154 k( 32) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0032154 k( 33) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0032154 k( 34) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0032154 k( 35) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0032154 k( 36) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0032154 k( 37) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0032154 k( 38) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0032154 k( 39) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032154 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032154 k( 41) = ( -0.0128687 0.0128687 0.5000000), wk = 0.0032154 k( 42) = ( -0.0257373 0.0257373 0.5000000), wk = 0.0032154 k( 43) = ( -0.0386060 0.0386060 0.5000000), wk = 0.0032154 k( 44) = ( -0.0514746 0.0514746 0.5000000), wk = 0.0032154 k( 45) = ( -0.0643433 0.0643433 0.5000000), wk = 0.0032154 k( 46) = ( -0.0772119 0.0772119 0.5000000), wk = 0.0032154 k( 47) = ( -0.0900806 0.0900806 0.5000000), wk = 0.0032154 k( 48) = ( -0.1029492 0.1029492 0.5000000), wk = 0.0032154 k( 49) = ( -0.1158179 0.1158179 0.5000000), wk = 0.0032154 k( 50) = ( -0.1286866 0.1286866 0.5000000), wk = 0.0032154 k( 51) = ( -0.1415552 0.1415552 0.5000000), wk = 0.0032154 k( 52) = ( -0.1544239 0.1544239 0.5000000), wk = 0.0032154 k( 53) = ( -0.1672925 0.1672925 0.5000000), wk = 0.0032154 k( 54) = ( -0.1801612 0.1801612 0.5000000), wk = 0.0032154 k( 55) = ( -0.1930298 0.1930298 0.5000000), wk = 0.0032154 k( 56) = ( -0.2058985 0.2058985 0.5000000), wk = 0.0032154 k( 57) = ( -0.2187671 0.2187671 0.5000000), wk = 0.0032154 k( 58) = ( -0.2316358 0.2316358 0.5000000), wk = 0.0032154 k( 59) = ( -0.2445045 0.2445045 0.5000000), wk = 0.0032154 k( 60) = ( -0.2573731 0.2573731 0.5000000), wk = 0.0032154 k( 61) = ( -0.2702418 0.2702418 0.5000000), wk = 0.0032154 k( 62) = ( -0.2831104 0.2831104 0.5000000), wk = 0.0032154 k( 63) = ( -0.2959791 0.2959791 0.5000000), wk = 0.0032154 k( 64) = ( -0.3088477 0.3088477 0.5000000), wk = 0.0032154 k( 65) = ( -0.3217164 0.3217164 0.5000000), wk = 0.0032154 k( 66) = ( -0.3345850 0.3345850 0.5000000), wk = 0.0032154 k( 67) = ( -0.3474537 0.3474537 0.5000000), wk = 0.0032154 k( 68) = ( -0.3474537 0.3474537 0.5000000), wk = 0.0032154 k( 69) = ( -0.3559285 0.3559285 0.4915252), wk = 0.0032154 k( 70) = ( -0.3644033 0.3644033 0.4830504), wk = 0.0032154 k( 71) = ( -0.3728781 0.3728781 0.4745756), wk = 0.0032154 k( 72) = ( -0.3813529 0.3813529 0.4661008), wk = 0.0032154 k( 73) = ( -0.3898277 0.3898277 0.4576260), wk = 0.0032154 k( 74) = ( -0.3983025 0.3983025 0.4491512), wk = 0.0032154 k( 75) = ( -0.4067772 0.4067772 0.4406764), wk = 0.0032154 k( 76) = ( -0.4152520 0.4152520 0.4322016), wk = 0.0032154 k( 77) = ( -0.4237268 0.4237268 0.4237268), wk = 0.0032154 k( 78) = ( -0.4237268 0.4237268 0.4237268), wk = 0.0032154 k( 79) = ( -0.4145154 0.4145154 0.4145154), wk = 0.0032154 k( 80) = ( -0.4053039 0.4053039 0.4053039), wk = 0.0032154 k( 81) = ( -0.3960925 0.3960925 0.3960925), wk = 0.0032154 k( 82) = ( -0.3868810 0.3868810 0.3868810), wk = 0.0032154 k( 83) = ( -0.3776696 0.3776696 0.3776696), wk = 0.0032154 k( 84) = ( -0.3684581 0.3684581 0.3684581), wk = 0.0032154 k( 85) = ( -0.3592467 0.3592467 0.3592467), wk = 0.0032154 k( 86) = ( -0.3500352 0.3500352 0.3500352), wk = 0.0032154 k( 87) = ( -0.3408238 0.3408238 0.3408238), wk = 0.0032154 k( 88) = ( -0.3316123 0.3316123 0.3316123), wk = 0.0032154 k( 89) = ( -0.3224009 0.3224009 0.3224009), wk = 0.0032154 k( 90) = ( -0.3131894 0.3131894 0.3131894), wk = 0.0032154 k( 91) = ( -0.3039779 0.3039779 0.3039780), wk = 0.0032154 k( 92) = ( -0.2947665 0.2947665 0.2947665), wk = 0.0032154 k( 93) = ( -0.2855550 0.2855550 0.2855551), wk = 0.0032154 k( 94) = ( -0.2763436 0.2763436 0.2763436), wk = 0.0032154 k( 95) = ( -0.2671321 0.2671321 0.2671321), wk = 0.0032154 k( 96) = ( -0.2579207 0.2579207 0.2579207), wk = 0.0032154 k( 97) = ( -0.2487092 0.2487092 0.2487092), wk = 0.0032154 k( 98) = ( -0.2394978 0.2394978 0.2394978), wk = 0.0032154 k( 99) = ( -0.2302863 0.2302863 0.2302863), wk = 0.0032154 k( 100) = ( -0.2210749 0.2210749 0.2210749), wk = 0.0032154 k( 101) = ( -0.2118634 0.2118634 0.2118634), wk = 0.0032154 k( 102) = ( -0.2026520 0.2026520 0.2026520), wk = 0.0032154 k( 103) = ( -0.1934405 0.1934405 0.1934405), wk = 0.0032154 k( 104) = ( -0.1842291 0.1842291 0.1842291), wk = 0.0032154 k( 105) = ( -0.1750176 0.1750176 0.1750176), wk = 0.0032154 k( 106) = ( -0.1658062 0.1658062 0.1658062), wk = 0.0032154 k( 107) = ( -0.1565947 0.1565947 0.1565947), wk = 0.0032154 k( 108) = ( -0.1473832 0.1473832 0.1473832), wk = 0.0032154 k( 109) = ( -0.1381718 0.1381718 0.1381718), wk = 0.0032154 k( 110) = ( -0.1289603 0.1289603 0.1289603), wk = 0.0032154 k( 111) = ( -0.1197489 0.1197489 0.1197489), wk = 0.0032154 k( 112) = ( -0.1105374 0.1105374 0.1105374), wk = 0.0032154 k( 113) = ( -0.1013260 0.1013260 0.1013260), wk = 0.0032154 k( 114) = ( -0.0921145 0.0921145 0.0921145), wk = 0.0032154 k( 115) = ( -0.0829031 0.0829031 0.0829031), wk = 0.0032154 k( 116) = ( -0.0736916 0.0736916 0.0736916), wk = 0.0032154 k( 117) = ( -0.0644802 0.0644802 0.0644802), wk = 0.0032154 k( 118) = ( -0.0552687 0.0552687 0.0552687), wk = 0.0032154 k( 119) = ( -0.0460573 0.0460573 0.0460573), wk = 0.0032154 k( 120) = ( -0.0368458 0.0368458 0.0368458), wk = 0.0032154 k( 121) = ( -0.0276344 0.0276344 0.0276344), wk = 0.0032154 k( 122) = ( -0.0184229 0.0184229 0.0184229), wk = 0.0032154 k( 123) = ( -0.0092114 0.0092114 0.0092115), wk = 0.0032154 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 126) = ( 0.0111111 0.0111111 -0.0111111), wk = 0.0032154 k( 127) = ( 0.0222222 0.0222222 -0.0222222), wk = 0.0032154 k( 128) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0032154 k( 129) = ( 0.0444444 0.0444444 -0.0444444), wk = 0.0032154 k( 130) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0032154 k( 131) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0032154 k( 132) = ( 0.0777778 0.0777778 -0.0777778), wk = 0.0032154 k( 133) = ( 0.0888889 0.0888889 -0.0888889), wk = 0.0032154 k( 134) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0032154 k( 135) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0032154 k( 136) = ( 0.1222222 0.1222222 -0.1222222), wk = 0.0032154 k( 137) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0032154 k( 138) = ( 0.1444444 0.1444444 -0.1444444), wk = 0.0032154 k( 139) = ( 0.1555556 0.1555556 -0.1555556), wk = 0.0032154 k( 140) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0032154 k( 141) = ( 0.1777778 0.1777778 -0.1777778), wk = 0.0032154 k( 142) = ( 0.1888889 0.1888889 -0.1888889), wk = 0.0032154 k( 143) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0032154 k( 144) = ( 0.2111111 0.2111111 -0.2111111), wk = 0.0032154 k( 145) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0032154 k( 146) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0032154 k( 147) = ( 0.2444444 0.2444444 -0.2444444), wk = 0.0032154 k( 148) = ( 0.2555556 0.2555556 -0.2555556), wk = 0.0032154 k( 149) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0032154 k( 150) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0032154 k( 151) = ( 0.2888889 0.2888889 -0.2888889), wk = 0.0032154 k( 152) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0032154 k( 153) = ( 0.3111111 0.3111111 -0.3111111), wk = 0.0032154 k( 154) = ( 0.3222222 0.3222222 -0.3222222), wk = 0.0032154 k( 155) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0032154 k( 156) = ( 0.3444444 0.3444444 -0.3444444), wk = 0.0032154 k( 157) = ( 0.3555556 0.3555556 -0.3555556), wk = 0.0032154 k( 158) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0032154 k( 159) = ( 0.3777778 0.3777778 -0.3777778), wk = 0.0032154 k( 160) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0032154 k( 161) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0032154 k( 162) = ( 0.4111111 0.4111111 -0.4111111), wk = 0.0032154 k( 163) = ( 0.4222222 0.4222222 -0.4222222), wk = 0.0032154 k( 164) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0032154 k( 165) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0032154 k( 166) = ( 0.4555556 0.4555556 -0.4555556), wk = 0.0032154 k( 167) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0032154 k( 168) = ( 0.4777778 0.4777778 -0.4777778), wk = 0.0032154 k( 169) = ( 0.4888889 0.4888889 -0.4888889), wk = 0.0032154 k( 170) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032154 k( 171) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032154 k( 172) = ( 0.4915252 0.5084748 -0.4915252), wk = 0.0032154 k( 173) = ( 0.4830504 0.5169496 -0.4830504), wk = 0.0032154 k( 174) = ( 0.4745756 0.5254244 -0.4745756), wk = 0.0032154 k( 175) = ( 0.4661008 0.5338992 -0.4661008), wk = 0.0032154 k( 176) = ( 0.4576260 0.5423740 -0.4576260), wk = 0.0032154 k( 177) = ( 0.4491512 0.5508488 -0.4491512), wk = 0.0032154 k( 178) = ( 0.4406764 0.5593236 -0.4406764), wk = 0.0032154 k( 179) = ( 0.4322016 0.5677984 -0.4322016), wk = 0.0032154 k( 180) = ( 0.4237268 0.5762732 -0.4237268), wk = 0.0032154 k( 181) = ( 0.4237268 0.5762732 -0.4237268), wk = 0.0032154 k( 182) = ( 0.4091156 0.5736430 -0.4091156), wk = 0.0032154 k( 183) = ( 0.3945043 0.5710129 -0.3945043), wk = 0.0032154 k( 184) = ( 0.3798930 0.5683828 -0.3798930), wk = 0.0032154 k( 185) = ( 0.3652818 0.5657527 -0.3652818), wk = 0.0032154 k( 186) = ( 0.3506705 0.5631226 -0.3506705), wk = 0.0032154 k( 187) = ( 0.3360592 0.5604925 -0.3360592), wk = 0.0032154 k( 188) = ( 0.3214479 0.5578624 -0.3214479), wk = 0.0032154 k( 189) = ( 0.3068367 0.5552323 -0.3068367), wk = 0.0032154 k( 190) = ( 0.2922254 0.5526022 -0.2922254), wk = 0.0032154 k( 191) = ( 0.2776141 0.5499721 -0.2776141), wk = 0.0032154 k( 192) = ( 0.2630029 0.5473420 -0.2630029), wk = 0.0032154 k( 193) = ( 0.2483916 0.5447118 -0.2483916), wk = 0.0032154 k( 194) = ( 0.2337803 0.5420817 -0.2337803), wk = 0.0032154 k( 195) = ( 0.2191691 0.5394516 -0.2191691), wk = 0.0032154 k( 196) = ( 0.2045578 0.5368215 -0.2045578), wk = 0.0032154 k( 197) = ( 0.1899465 0.5341914 -0.1899465), wk = 0.0032154 k( 198) = ( 0.1753352 0.5315613 -0.1753352), wk = 0.0032154 k( 199) = ( 0.1607240 0.5289312 -0.1607240), wk = 0.0032154 k( 200) = ( 0.1461127 0.5263011 -0.1461127), wk = 0.0032154 k( 201) = ( 0.1315014 0.5236710 -0.1315014), wk = 0.0032154 k( 202) = ( 0.1168902 0.5210409 -0.1168902), wk = 0.0032154 k( 203) = ( 0.1022789 0.5184108 -0.1022789), wk = 0.0032154 k( 204) = ( 0.0876676 0.5157806 -0.0876676), wk = 0.0032154 k( 205) = ( 0.0730564 0.5131505 -0.0730563), wk = 0.0032154 k( 206) = ( 0.0584451 0.5105204 -0.0584451), wk = 0.0032154 k( 207) = ( 0.0438338 0.5078903 -0.0438338), wk = 0.0032154 k( 208) = ( 0.0292225 0.5052602 -0.0292225), wk = 0.0032154 k( 209) = ( 0.0146113 0.5026301 -0.0146113), wk = 0.0032154 k( 210) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032154 k( 211) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032154 k( 212) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0032154 k( 213) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0032154 k( 214) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0032154 k( 215) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0032154 k( 216) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0032154 k( 217) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0032154 k( 218) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0032154 k( 219) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0032154 k( 220) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0032154 k( 221) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0032154 k( 222) = ( 0.1018518 0.3981481 0.1018519), wk = 0.0032154 k( 223) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0032154 k( 224) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0032154 k( 225) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0032154 k( 226) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0032154 k( 227) = ( 0.1481482 0.3518519 0.1481481), wk = 0.0032154 k( 228) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0032154 k( 229) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0032154 k( 230) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0032154 k( 231) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0032154 k( 232) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0032154 k( 233) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0032154 k( 234) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0032154 k( 235) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0032154 k( 236) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0032154 k( 237) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0032154 k( 238) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032154 k( 239) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032154 k( 240) = ( 0.2571429 0.2571429 0.2329299), wk = 0.0032154 k( 241) = ( 0.2642857 0.2642857 0.2158598), wk = 0.0032154 k( 242) = ( 0.2714286 0.2714286 0.1987897), wk = 0.0032154 k( 243) = ( 0.2785714 0.2785714 0.1817196), wk = 0.0032154 k( 244) = ( 0.2857143 0.2857143 0.1646495), wk = 0.0032154 k( 245) = ( 0.2928571 0.2928571 0.1475794), wk = 0.0032154 k( 246) = ( 0.3000000 0.3000000 0.1305093), wk = 0.0032154 k( 247) = ( 0.3071429 0.3071429 0.1134392), wk = 0.0032154 k( 248) = ( 0.3142857 0.3142857 0.0963690), wk = 0.0032154 k( 249) = ( 0.3214286 0.3214286 0.0792990), wk = 0.0032154 k( 250) = ( 0.3285714 0.3285714 0.0622288), wk = 0.0032154 k( 251) = ( 0.3357143 0.3357143 0.0451587), wk = 0.0032154 k( 252) = ( 0.3428571 0.3428571 0.0280886), wk = 0.0032154 k( 253) = ( 0.3500000 0.3500000 0.0110185), wk = 0.0032154 k( 254) = ( 0.3571429 0.3571429 -0.0060516), wk = 0.0032154 k( 255) = ( 0.3642857 0.3642857 -0.0231217), wk = 0.0032154 k( 256) = ( 0.3714286 0.3714286 -0.0401918), wk = 0.0032154 k( 257) = ( 0.3785714 0.3785714 -0.0572619), wk = 0.0032154 k( 258) = ( 0.3857143 0.3857143 -0.0743320), wk = 0.0032154 k( 259) = ( 0.3928571 0.3928571 -0.0914021), wk = 0.0032154 k( 260) = ( 0.4000000 0.4000000 -0.1084722), wk = 0.0032154 k( 261) = ( 0.4071429 0.4071429 -0.1255423), wk = 0.0032154 k( 262) = ( 0.4142857 0.4142857 -0.1426124), wk = 0.0032154 k( 263) = ( 0.4214286 0.4214286 -0.1596825), wk = 0.0032154 k( 264) = ( 0.4285714 0.4285714 -0.1767526), wk = 0.0032154 k( 265) = ( 0.4357143 0.4357143 -0.1938227), wk = 0.0032154 k( 266) = ( 0.4428571 0.4428571 -0.2108928), wk = 0.0032154 k( 267) = ( 0.4500000 0.4500000 -0.2279629), wk = 0.0032154 k( 268) = ( 0.4571429 0.4571429 -0.2450331), wk = 0.0032154 k( 269) = ( 0.4642857 0.4642857 -0.2621032), wk = 0.0032154 k( 270) = ( 0.4714286 0.4714286 -0.2791733), wk = 0.0032154 k( 271) = ( 0.4785714 0.4785714 -0.2962434), wk = 0.0032154 k( 272) = ( 0.4857143 0.4857143 -0.3133135), wk = 0.0032154 k( 273) = ( 0.4928571 0.4928571 -0.3303836), wk = 0.0032154 k( 274) = ( 0.5000000 0.5000000 -0.3474537), wk = 0.0032154 k( 275) = ( 0.5000000 0.5000000 -0.3474537), wk = 0.0032154 k( 276) = ( 0.5000000 0.5000000 -0.3601659), wk = 0.0032154 k( 277) = ( 0.5000000 0.5000000 -0.3728781), wk = 0.0032154 k( 278) = ( 0.5000000 0.5000000 -0.3855903), wk = 0.0032154 k( 279) = ( 0.5000000 0.5000000 -0.3983025), wk = 0.0032154 k( 280) = ( 0.5000000 0.5000000 -0.4110146), wk = 0.0032154 k( 281) = ( 0.5000000 0.5000000 -0.4237268), wk = 0.0032154 k( 282) = ( 0.5000000 0.5000000 -0.4364390), wk = 0.0032154 k( 283) = ( 0.5000000 0.5000000 -0.4491512), wk = 0.0032154 k( 284) = ( 0.5000000 0.5000000 -0.4618634), wk = 0.0032154 k( 285) = ( 0.5000000 0.5000000 -0.4745756), wk = 0.0032154 k( 286) = ( 0.5000000 0.5000000 -0.4872878), wk = 0.0032154 k( 287) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032154 k( 288) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032154 k( 289) = ( 0.0108696 0.0108696 0.4891304), wk = 0.0032154 k( 290) = ( 0.0217391 0.0217391 0.4782609), wk = 0.0032154 k( 291) = ( 0.0326087 0.0326087 0.4673913), wk = 0.0032154 k( 292) = ( 0.0434783 0.0434783 0.4565217), wk = 0.0032154 k( 293) = ( 0.0543478 0.0543478 0.4456522), wk = 0.0032154 k( 294) = ( 0.0652174 0.0652174 0.4347826), wk = 0.0032154 k( 295) = ( 0.0760870 0.0760870 0.4239130), wk = 0.0032154 k( 296) = ( 0.0869565 0.0869565 0.4130435), wk = 0.0032154 k( 297) = ( 0.0978261 0.0978261 0.4021739), wk = 0.0032154 k( 298) = ( 0.1086957 0.1086957 0.3913044), wk = 0.0032154 k( 299) = ( 0.1195652 0.1195652 0.3804348), wk = 0.0032154 k( 300) = ( 0.1304348 0.1304348 0.3695652), wk = 0.0032154 k( 301) = ( 0.1413043 0.1413043 0.3586957), wk = 0.0032154 k( 302) = ( 0.1521739 0.1521739 0.3478261), wk = 0.0032154 k( 303) = ( 0.1630435 0.1630435 0.3369565), wk = 0.0032154 k( 304) = ( 0.1739130 0.1739130 0.3260870), wk = 0.0032154 k( 305) = ( 0.1847826 0.1847826 0.3152174), wk = 0.0032154 k( 306) = ( 0.1956522 0.1956522 0.3043478), wk = 0.0032154 k( 307) = ( 0.2065217 0.2065217 0.2934783), wk = 0.0032154 k( 308) = ( 0.2173913 0.2173913 0.2826087), wk = 0.0032154 k( 309) = ( 0.2282609 0.2282609 0.2717391), wk = 0.0032154 k( 310) = ( 0.2391304 0.2391304 0.2608696), wk = 0.0032154 k( 311) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032154 Dense grid: 82027 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 36329 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 138, 72) NL pseudopotentials 0.18 Mb ( 69, 172) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1141) G-vector shells 0.00 Mb ( 565) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.61 Mb ( 138, 288) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.38 Mb ( 172, 2, 72) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./KAg2AsO4.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 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.9 secs Computing kpt #: 3 total cpu time spent up to now is 7.0 secs Computing kpt #: 4 total cpu time spent up to now is 8.3 secs Computing kpt #: 5 total cpu time spent up to now is 9.5 secs Computing kpt #: 6 total cpu time spent up to now is 10.8 secs Computing kpt #: 7 total cpu time spent up to now is 12.1 secs Computing kpt #: 8 total cpu time spent up to now is 13.4 secs Computing kpt #: 9 total cpu time spent up to now is 14.7 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 17.7 secs Computing kpt #: 12 total cpu time spent up to now is 19.6 secs Computing kpt #: 13 total cpu time spent up to now is 21.3 secs Computing kpt #: 14 total cpu time spent up to now is 22.6 secs Computing kpt #: 15 total cpu time spent up to now is 24.1 secs Computing kpt #: 16 total cpu time spent up to now is 25.8 secs Computing kpt #: 17 total cpu time spent up to now is 27.6 secs Computing kpt #: 18 total cpu time spent up to now is 29.6 secs Computing kpt #: 19 total cpu time spent up to now is 31.2 secs Computing kpt #: 20 total cpu time spent up to now is 32.5 secs Computing kpt #: 21 total cpu time spent up to now is 34.2 secs Computing kpt #: 22 total cpu time spent up to now is 35.6 secs Computing kpt #: 23 total cpu time spent up to now is 37.0 secs Computing kpt #: 24 total cpu time spent up to now is 38.3 secs Computing kpt #: 25 total cpu time spent up to now is 40.0 secs Computing kpt #: 26 total cpu time spent up to now is 41.3 secs Computing kpt #: 27 total cpu time spent up to now is 42.6 secs Computing kpt #: 28 total cpu time spent up to now is 44.0 secs Computing kpt #: 29 total cpu time spent up to now is 45.3 secs Computing kpt #: 30 total cpu time spent up to now is 46.8 secs Computing kpt #: 31 total cpu time spent up to now is 48.1 secs Computing kpt #: 32 total cpu time spent up to now is 49.5 secs Computing kpt #: 33 total cpu time spent up to now is 50.8 secs Computing kpt #: 34 total cpu time spent up to now is 52.0 secs Computing kpt #: 35 total cpu time spent up to now is 53.7 secs Computing kpt #: 36 total cpu time spent up to now is 55.5 secs Computing kpt #: 37 total cpu time spent up to now is 57.2 secs Computing kpt #: 38 total cpu time spent up to now is 58.3 secs Computing kpt #: 39 total cpu time spent up to now is 60.1 secs Computing kpt #: 40 total cpu time spent up to now is 61.2 secs Computing kpt #: 41 total cpu time spent up to now is 62.4 secs Computing kpt #: 42 total cpu time spent up to now is 63.6 secs Computing kpt #: 43 total cpu time spent up to now is 64.7 secs Computing kpt #: 44 total cpu time spent up to now is 66.0 secs Computing kpt #: 45 total cpu time spent up to now is 67.2 secs Computing kpt #: 46 total cpu time spent up to now is 68.5 secs Computing kpt #: 47 total cpu time spent up to now is 69.7 secs Computing kpt #: 48 total cpu time spent up to now is 71.3 secs Computing kpt #: 49 total cpu time spent up to now is 72.4 secs Computing kpt #: 50 total cpu time spent up to now is 73.5 secs Computing kpt #: 51 total cpu time spent up to now is 74.8 secs Computing kpt #: 52 total cpu time spent up to now is 75.9 secs Computing kpt #: 53 total cpu time spent up to now is 76.9 secs Computing kpt #: 54 total cpu time spent up to now is 77.9 secs Computing kpt #: 55 total cpu time spent up to now is 79.0 secs Computing kpt #: 56 total cpu time spent up to now is 80.0 secs Computing kpt #: 57 total cpu time spent up to now is 81.1 secs Computing kpt #: 58 total cpu time spent up to now is 82.2 secs Computing kpt #: 59 total cpu time spent up to now is 83.2 secs Computing kpt #: 60 total cpu time spent up to now is 84.2 secs Computing kpt #: 61 total cpu time spent up to now is 85.3 secs Computing kpt #: 62 total cpu time spent up to now is 86.3 secs Computing kpt #: 63 total cpu time spent up to now is 87.4 secs Computing kpt #: 64 total cpu time spent up to now is 88.4 secs Computing kpt #: 65 total cpu time spent up to now is 89.4 secs Computing kpt #: 66 total cpu time spent up to now is 90.4 secs Computing kpt #: 67 total cpu time spent up to now is 91.5 secs Computing kpt #: 68 total cpu time spent up to now is 92.5 secs Computing kpt #: 69 total cpu time spent up to now is 93.4 secs Computing kpt #: 70 total cpu time spent up to now is 94.4 secs Computing kpt #: 71 total cpu time spent up to now is 95.4 secs Computing kpt #: 72 total cpu time spent up to now is 96.4 secs Computing kpt #: 73 total cpu time spent up to now is 97.4 secs Computing kpt #: 74 total cpu time spent up to now is 98.4 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 100.4 secs Computing kpt #: 77 total cpu time spent up to now is 101.4 secs Computing kpt #: 78 total cpu time spent up to now is 102.4 secs Computing kpt #: 79 total cpu time spent up to now is 103.5 secs Computing kpt #: 80 total cpu time spent up to now is 104.4 secs Computing kpt #: 81 total cpu time spent up to now is 105.4 secs Computing kpt #: 82 total cpu time spent up to now is 106.4 secs Computing kpt #: 83 total cpu time spent up to now is 107.5 secs Computing kpt #: 84 total cpu time spent up to now is 108.5 secs Computing kpt #: 85 total cpu time spent up to now is 109.5 secs Computing kpt #: 86 total cpu time spent up to now is 110.5 secs Computing kpt #: 87 total cpu time spent up to now is 111.6 secs Computing kpt #: 88 total cpu time spent up to now is 112.6 secs Computing kpt #: 89 total cpu time spent up to now is 113.7 secs Computing kpt #: 90 total cpu time spent up to now is 114.7 secs Computing kpt #: 91 total cpu time spent up to now is 115.7 secs Computing kpt #: 92 total cpu time spent up to now is 116.7 secs Computing kpt #: 93 total cpu time spent up to now is 117.7 secs Computing kpt #: 94 total cpu time spent up to now is 118.8 secs Computing kpt #: 95 total cpu time spent up to now is 119.8 secs Computing kpt #: 96 total cpu time spent up to now is 120.8 secs Computing kpt #: 97 total cpu time spent up to now is 121.9 secs Computing kpt #: 98 total cpu time spent up to now is 122.9 secs Computing kpt #: 99 total cpu time spent up to now is 124.1 secs Computing kpt #: 100 total cpu time spent up to now is 125.6 secs Computing kpt #: 101 total cpu time spent up to now is 127.0 secs Computing kpt #: 102 total cpu time spent up to now is 128.9 secs Computing kpt #: 103 total cpu time spent up to now is 130.7 secs Computing kpt #: 104 total cpu time spent up to now is 132.4 secs Computing kpt #: 105 total cpu time spent up to now is 133.9 secs Computing kpt #: 106 total cpu time spent up to now is 136.0 secs Computing kpt #: 107 total cpu time spent up to now is 137.7 secs Computing kpt #: 108 total cpu time spent up to now is 139.8 secs Computing kpt #: 109 total cpu time spent up to now is 141.5 secs Computing kpt #: 110 total cpu time spent up to now is 143.3 secs Computing kpt #: 111 total cpu time spent up to now is 145.1 secs Computing kpt #: 112 total cpu time spent up to now is 147.2 secs Computing kpt #: 113 total cpu time spent up to now is 148.6 secs Computing kpt #: 114 total cpu time spent up to now is 150.1 secs Computing kpt #: 115 total cpu time spent up to now is 151.7 secs Computing kpt #: 116 total cpu time spent up to now is 153.1 secs Computing kpt #: 117 total cpu time spent up to now is 154.4 secs Computing kpt #: 118 total cpu time spent up to now is 155.8 secs Computing kpt #: 119 total cpu time spent up to now is 157.1 secs Computing kpt #: 120 total cpu time spent up to now is 158.4 secs Computing kpt #: 121 total cpu time spent up to now is 159.7 secs Computing kpt #: 122 total cpu time spent up to now is 160.8 secs Computing kpt #: 123 total cpu time spent up to now is 161.9 secs Computing kpt #: 124 total cpu time spent up to now is 163.1 secs Computing kpt #: 125 total cpu time spent up to now is 164.4 secs Computing kpt #: 126 total cpu time spent up to now is 165.6 secs Computing kpt #: 127 total cpu time spent up to now is 166.7 secs Computing kpt #: 128 total cpu time spent up to now is 167.9 secs Computing kpt #: 129 total cpu time spent up to now is 169.1 secs Computing kpt #: 130 total cpu time spent up to now is 170.5 secs Computing kpt #: 131 total cpu time spent up to now is 171.9 secs Computing kpt #: 132 total cpu time spent up to now is 173.2 secs Computing kpt #: 133 total cpu time spent up to now is 174.5 secs Computing kpt #: 134 total cpu time spent up to now is 175.5 secs Computing kpt #: 135 total cpu time spent up to now is 176.6 secs Computing kpt #: 136 total cpu time spent up to now is 177.7 secs Computing kpt #: 137 total cpu time spent up to now is 178.7 secs Computing kpt #: 138 total cpu time spent up to now is 179.8 secs Computing kpt #: 139 total cpu time spent up to now is 180.9 secs Computing kpt #: 140 total cpu time spent up to now is 182.0 secs Computing kpt #: 141 total cpu time spent up to now is 183.0 secs Computing kpt #: 142 total cpu time spent up to now is 184.1 secs Computing kpt #: 143 total cpu time spent up to now is 185.2 secs Computing kpt #: 144 total cpu time spent up to now is 186.3 secs Computing kpt #: 145 total cpu time spent up to now is 187.4 secs Computing kpt #: 146 total cpu time spent up to now is 188.4 secs Computing kpt #: 147 total cpu time spent up to now is 189.5 secs Computing kpt #: 148 total cpu time spent up to now is 190.5 secs Computing kpt #: 149 total cpu time spent up to now is 191.5 secs Computing kpt #: 150 total cpu time spent up to now is 192.6 secs Computing kpt #: 151 total cpu time spent up to now is 193.7 secs Computing kpt #: 152 total cpu time spent up to now is 194.7 secs Computing kpt #: 153 total cpu time spent up to now is 195.7 secs Computing kpt #: 154 total cpu time spent up to now is 196.8 secs Computing kpt #: 155 total cpu time spent up to now is 197.8 secs Computing kpt #: 156 total cpu time spent up to now is 198.9 secs Computing kpt #: 157 total cpu time spent up to now is 199.9 secs Computing kpt #: 158 total cpu time spent up to now is 200.9 secs Computing kpt #: 159 total cpu time spent up to now is 201.9 secs Computing kpt #: 160 total cpu time spent up to now is 202.9 secs Computing kpt #: 161 total cpu time spent up to now is 203.9 secs Computing kpt #: 162 total cpu time spent up to now is 204.9 secs Computing kpt #: 163 total cpu time spent up to now is 205.8 secs Computing kpt #: 164 total cpu time spent up to now is 206.8 secs Computing kpt #: 165 total cpu time spent up to now is 207.8 secs Computing kpt #: 166 total cpu time spent up to now is 208.8 secs Computing kpt #: 167 total cpu time spent up to now is 209.8 secs Computing kpt #: 168 total cpu time spent up to now is 210.8 secs Computing kpt #: 169 total cpu time spent up to now is 211.8 secs Computing kpt #: 170 total cpu time spent up to now is 212.8 secs Computing kpt #: 171 total cpu time spent up to now is 213.8 secs Computing kpt #: 172 total cpu time spent up to now is 214.8 secs Computing kpt #: 173 total cpu time spent up to now is 215.8 secs Computing kpt #: 174 total cpu time spent up to now is 216.8 secs Computing kpt #: 175 total cpu time spent up to now is 217.8 secs Computing kpt #: 176 total cpu time spent up to now is 218.8 secs Computing kpt #: 177 total cpu time spent up to now is 219.8 secs Computing kpt #: 178 total cpu time spent up to now is 220.8 secs Computing kpt #: 179 total cpu time spent up to now is 221.8 secs Computing kpt #: 180 total cpu time spent up to now is 222.8 secs Computing kpt #: 181 total cpu time spent up to now is 223.8 secs Computing kpt #: 182 total cpu time spent up to now is 225.3 secs Computing kpt #: 183 total cpu time spent up to now is 226.3 secs Computing kpt #: 184 total cpu time spent up to now is 227.3 secs Computing kpt #: 185 total cpu time spent up to now is 228.3 secs Computing kpt #: 186 total cpu time spent up to now is 229.3 secs Computing kpt #: 187 total cpu time spent up to now is 230.3 secs Computing kpt #: 188 total cpu time spent up to now is 231.3 secs Computing kpt #: 189 total cpu time spent up to now is 232.3 secs Computing kpt #: 190 total cpu time spent up to now is 233.3 secs Computing kpt #: 191 total cpu time spent up to now is 234.3 secs Computing kpt #: 192 total cpu time spent up to now is 235.4 secs Computing kpt #: 193 total cpu time spent up to now is 236.4 secs Computing kpt #: 194 total cpu time spent up to now is 237.5 secs Computing kpt #: 195 total cpu time spent up to now is 238.5 secs Computing kpt #: 196 total cpu time spent up to now is 239.5 secs Computing kpt #: 197 total cpu time spent up to now is 240.6 secs Computing kpt #: 198 total cpu time spent up to now is 241.7 secs Computing kpt #: 199 total cpu time spent up to now is 242.7 secs Computing kpt #: 200 total cpu time spent up to now is 243.7 secs Computing kpt #: 201 total cpu time spent up to now is 244.8 secs Computing kpt #: 202 total cpu time spent up to now is 245.9 secs Computing kpt #: 203 total cpu time spent up to now is 247.0 secs Computing kpt #: 204 total cpu time spent up to now is 248.0 secs Computing kpt #: 205 total cpu time spent up to now is 249.1 secs Computing kpt #: 206 total cpu time spent up to now is 250.2 secs Computing kpt #: 207 total cpu time spent up to now is 251.3 secs Computing kpt #: 208 total cpu time spent up to now is 252.4 secs Computing kpt #: 209 total cpu time spent up to now is 253.5 secs Computing kpt #: 210 total cpu time spent up to now is 254.7 secs Computing kpt #: 211 total cpu time spent up to now is 255.9 secs Computing kpt #: 212 total cpu time spent up to now is 257.1 secs Computing kpt #: 213 total cpu time spent up to now is 258.2 secs Computing kpt #: 214 total cpu time spent up to now is 259.3 secs Computing kpt #: 215 total cpu time spent up to now is 260.4 secs Computing kpt #: 216 total cpu time spent up to now is 261.5 secs Computing kpt #: 217 total cpu time spent up to now is 262.6 secs Computing kpt #: 218 total cpu time spent up to now is 263.7 secs Computing kpt #: 219 total cpu time spent up to now is 264.8 secs Computing kpt #: 220 total cpu time spent up to now is 265.8 secs Computing kpt #: 221 total cpu time spent up to now is 266.9 secs Computing kpt #: 222 total cpu time spent up to now is 268.0 secs Computing kpt #: 223 total cpu time spent up to now is 269.1 secs Computing kpt #: 224 total cpu time spent up to now is 270.2 secs Computing kpt #: 225 total cpu time spent up to now is 271.3 secs Computing kpt #: 226 total cpu time spent up to now is 272.6 secs Computing kpt #: 227 total cpu time spent up to now is 273.7 secs Computing kpt #: 228 total cpu time spent up to now is 274.8 secs Computing kpt #: 229 total cpu time spent up to now is 275.9 secs Computing kpt #: 230 total cpu time spent up to now is 277.2 secs Computing kpt #: 231 total cpu time spent up to now is 278.4 secs Computing kpt #: 232 total cpu time spent up to now is 279.6 secs Computing kpt #: 233 total cpu time spent up to now is 280.8 secs Computing kpt #: 234 total cpu time spent up to now is 281.9 secs Computing kpt #: 235 total cpu time spent up to now is 283.2 secs Computing kpt #: 236 total cpu time spent up to now is 284.6 secs Computing kpt #: 237 total cpu time spent up to now is 286.2 secs Computing kpt #: 238 total cpu time spent up to now is 287.5 secs Computing kpt #: 239 total cpu time spent up to now is 288.7 secs Computing kpt #: 240 total cpu time spent up to now is 289.9 secs Computing kpt #: 241 total cpu time spent up to now is 291.1 secs Computing kpt #: 242 total cpu time spent up to now is 292.2 secs Computing kpt #: 243 total cpu time spent up to now is 293.6 secs Computing kpt #: 244 total cpu time spent up to now is 295.1 secs Computing kpt #: 245 total cpu time spent up to now is 296.5 secs Computing kpt #: 246 total cpu time spent up to now is 297.6 secs Computing kpt #: 247 total cpu time spent up to now is 298.7 secs Computing kpt #: 248 total cpu time spent up to now is 300.1 secs Computing kpt #: 249 total cpu time spent up to now is 301.4 secs Computing kpt #: 250 total cpu time spent up to now is 302.8 secs Computing kpt #: 251 total cpu time spent up to now is 304.2 secs Computing kpt #: 252 total cpu time spent up to now is 305.6 secs Computing kpt #: 253 total cpu time spent up to now is 306.9 secs Computing kpt #: 254 total cpu time spent up to now is 308.3 secs Computing kpt #: 255 total cpu time spent up to now is 309.3 secs Computing kpt #: 256 total cpu time spent up to now is 310.5 secs Computing kpt #: 257 total cpu time spent up to now is 311.6 secs Computing kpt #: 258 total cpu time spent up to now is 312.6 secs Computing kpt #: 259 total cpu time spent up to now is 313.7 secs Computing kpt #: 260 total cpu time spent up to now is 314.7 secs Computing kpt #: 261 total cpu time spent up to now is 315.7 secs Computing kpt #: 262 total cpu time spent up to now is 316.8 secs Computing kpt #: 263 total cpu time spent up to now is 317.8 secs Computing kpt #: 264 total cpu time spent up to now is 318.9 secs Computing kpt #: 265 total cpu time spent up to now is 319.9 secs Computing kpt #: 266 total cpu time spent up to now is 321.0 secs Computing kpt #: 267 total cpu time spent up to now is 321.9 secs Computing kpt #: 268 total cpu time spent up to now is 323.0 secs Computing kpt #: 269 total cpu time spent up to now is 324.0 secs Computing kpt #: 270 total cpu time spent up to now is 325.1 secs Computing kpt #: 271 total cpu time spent up to now is 326.1 secs Computing kpt #: 272 total cpu time spent up to now is 327.1 secs Computing kpt #: 273 total cpu time spent up to now is 328.1 secs Computing kpt #: 274 total cpu time spent up to now is 329.1 secs Computing kpt #: 275 total cpu time spent up to now is 330.2 secs Computing kpt #: 276 total cpu time spent up to now is 331.3 secs Computing kpt #: 277 total cpu time spent up to now is 332.3 secs Computing kpt #: 278 total cpu time spent up to now is 333.3 secs Computing kpt #: 279 total cpu time spent up to now is 334.3 secs Computing kpt #: 280 total cpu time spent up to now is 335.3 secs Computing kpt #: 281 total cpu time spent up to now is 336.3 secs Computing kpt #: 282 total cpu time spent up to now is 337.3 secs Computing kpt #: 283 total cpu time spent up to now is 338.3 secs Computing kpt #: 284 total cpu time spent up to now is 339.3 secs Computing kpt #: 285 total cpu time spent up to now is 340.3 secs Computing kpt #: 286 total cpu time spent up to now is 341.2 secs Computing kpt #: 287 total cpu time spent up to now is 342.2 secs Computing kpt #: 288 total cpu time spent up to now is 343.5 secs Computing kpt #: 289 total cpu time spent up to now is 344.7 secs Computing kpt #: 290 total cpu time spent up to now is 345.9 secs Computing kpt #: 291 total cpu time spent up to now is 347.1 secs Computing kpt #: 292 total cpu time spent up to now is 348.4 secs Computing kpt #: 293 total cpu time spent up to now is 349.6 secs Computing kpt #: 294 total cpu time spent up to now is 351.0 secs Computing kpt #: 295 total cpu time spent up to now is 352.3 secs Computing kpt #: 296 total cpu time spent up to now is 354.0 secs Computing kpt #: 297 total cpu time spent up to now is 355.7 secs Computing kpt #: 298 total cpu time spent up to now is 357.7 secs Computing kpt #: 299 total cpu time spent up to now is 359.4 secs Computing kpt #: 300 total cpu time spent up to now is 361.2 secs Computing kpt #: 301 total cpu time spent up to now is 362.9 secs Computing kpt #: 302 total cpu time spent up to now is 364.6 secs Computing kpt #: 303 total cpu time spent up to now is 365.8 secs Computing kpt #: 304 total cpu time spent up to now is 367.7 secs Computing kpt #: 305 total cpu time spent up to now is 369.1 secs Computing kpt #: 306 total cpu time spent up to now is 370.6 secs Computing kpt #: 307 total cpu time spent up to now is 372.1 secs Computing kpt #: 308 total cpu time spent up to now is 373.4 secs Computing kpt #: 309 total cpu time spent up to now is 374.7 secs Computing kpt #: 310 total cpu time spent up to now is 375.8 secs Computing kpt #: 311 total cpu time spent up to now is 377.2 secs ethr = 1.67E-08, avg # of iterations = 22.1 total cpu time spent up to now is 377.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4527 PWs) bands (ev): -22.3152 -22.3152 -13.9335 -13.9335 -11.7028 -11.7028 -11.6749 -11.6749 -11.6443 -11.6443 -6.0375 -6.0375 -5.7812 -5.7812 -5.7706 -5.7706 -2.6121 -2.6121 0.4669 0.4669 0.5851 0.5851 0.6418 0.6418 2.0527 2.0527 2.8632 2.8632 2.9737 2.9737 2.9904 2.9904 3.0677 3.0677 3.3073 3.3073 3.7622 3.7622 3.8581 3.8581 4.4688 4.4688 4.7003 4.7003 4.7592 4.7592 4.9224 4.9224 5.1313 5.1313 5.1641 5.1641 5.5059 5.5059 5.5632 5.5632 5.7684 5.7684 6.0107 6.0107 7.0720 7.0720 11.7647 11.7647 12.6410 12.6410 13.2871 13.2871 13.6267 13.6267 13.7621 13.7621 k = 0.0000 0.0000 0.0173 ( 4523 PWs) bands (ev): -22.3152 -22.3152 -13.9334 -13.9334 -11.7030 -11.7028 -11.6750 -11.6750 -11.6446 -11.6442 -6.0388 -6.0362 -5.7814 -5.7814 -5.7718 -5.7691 -2.6118 -2.6118 0.4631 0.4715 0.5808 0.5894 0.6417 0.6420 2.0521 2.0538 2.8558 2.8700 2.9699 2.9747 2.9895 2.9919 3.0670 3.0690 3.3042 3.3113 3.7611 3.7644 3.8553 3.8625 4.4650 4.4722 4.6910 4.7075 4.7488 4.7685 4.9162 4.9267 5.1293 5.1305 5.1532 5.1764 5.5029 5.5059 5.5561 5.5675 5.7657 5.7764 6.0066 6.0138 7.0761 7.0783 11.7624 11.7659 12.6374 12.6384 13.2735 13.2744 13.6030 13.6222 13.7712 13.7846 k = 0.0000 0.0000 0.0345 ( 4535 PWs) bands (ev): -22.3152 -22.3152 -13.9331 -13.9331 -11.7034 -11.7029 -11.6753 -11.6753 -11.6450 -11.6442 -6.0401 -6.0350 -5.7821 -5.7817 -5.7725 -5.7674 -2.6109 -2.6108 0.4600 0.4768 0.5765 0.5929 0.6414 0.6426 2.0519 2.0553 2.8477 2.8764 2.9634 2.9734 2.9894 2.9936 3.0673 3.0708 3.3021 3.3160 3.7615 3.7667 3.8547 3.8678 4.4608 4.4749 4.6798 4.7124 4.7374 4.7769 4.9079 4.9291 5.1193 5.1296 5.1490 5.1876 5.4966 5.5030 5.5470 5.5689 5.7681 5.7891 6.0018 6.0157 7.0904 7.0949 11.7589 11.7661 12.6276 12.6297 13.2368 13.2387 13.5673 13.5939 13.8088 13.8238 k = 0.0000 0.0000 0.0518 ( 4527 PWs) bands (ev): -22.3152 -22.3152 -13.9326 -13.9326 -11.7039 -11.7032 -11.6757 -11.6757 -11.6455 -11.6443 -6.0414 -6.0337 -5.7831 -5.7822 -5.7728 -5.7656 -2.6093 -2.6091 0.4577 0.4826 0.5722 0.5949 0.6412 0.6447 2.0523 2.0574 2.8385 2.8826 2.9541 2.9704 2.9900 2.9951 3.0687 3.0731 3.3010 3.3214 3.7637 3.7684 3.8573 3.8739 4.4564 4.4769 4.6671 4.7148 4.7249 4.7848 4.8979 4.9298 5.1028 5.1295 5.1499 5.1972 5.4865 5.4968 5.5372 5.5681 5.7755 5.8064 5.9963 6.0163 7.1148 7.1212 11.7544 11.7651 12.6118 12.6150 13.1840 13.1872 13.5300 13.5585 13.8595 13.8717 k = 0.0000 0.0000 0.0690 ( 4539 PWs) bands (ev): -22.3152 -22.3152 -13.9318 -13.9318 -11.7045 -11.7036 -11.6763 -11.6763 -11.6461 -11.6446 -6.0426 -6.0326 -5.7845 -5.7828 -5.7727 -5.7637 -2.6072 -2.6068 0.4562 0.4887 0.5678 0.5944 0.6414 0.6490 2.0532 2.0599 2.8280 2.8883 2.9422 2.9664 2.9911 2.9964 3.0713 3.0756 3.3009 3.3272 3.7676 3.7685 3.8638 3.8808 4.4515 4.4777 4.6527 4.7115 4.7145 4.7918 4.8865 4.9292 5.0836 5.1302 5.1520 5.2051 5.4725 5.4871 5.5277 5.5661 5.7873 5.8274 5.9901 6.0153 7.1486 7.1568 11.7487 11.7631 12.5901 12.5944 13.1213 13.1259 13.4946 13.5235 13.9149 13.9242 k = 0.0000 0.0000 0.0863 ( 4535 PWs) bands (ev): -22.3152 -22.3152 -13.9309 -13.9308 -11.7053 -11.7043 -11.6771 -11.6771 -11.6468 -11.6450 -6.0438 -6.0315 -5.7860 -5.7834 -5.7723 -5.7619 -2.6044 -2.6039 0.4555 0.4951 0.5630 0.5912 0.6424 0.6558 2.0546 2.0629 2.8159 2.8932 2.9278 2.9617 2.9929 2.9976 3.0751 3.0785 3.3018 3.3332 3.7667 3.7733 3.8745 3.8885 4.4465 4.4772 4.6368 4.6978 4.7117 4.7981 4.8741 4.9274 5.0636 5.1316 5.1540 5.2113 5.4551 5.4739 5.5192 5.5636 5.8031 5.8516 5.9831 6.0127 7.1913 7.2009 11.7419 11.7601 12.5630 12.5685 13.0529 13.0589 13.4630 13.4916 13.9703 13.9771 k = 0.0000 0.0000 0.1035 ( 4533 PWs) bands (ev): -22.3151 -22.3151 -13.9297 -13.9297 -11.7063 -11.7051 -11.6780 -11.6779 -11.6476 -11.6455 -6.0449 -6.0304 -5.7876 -5.7839 -5.7719 -5.7602 -2.6010 -2.6005 0.4555 0.5013 0.5577 0.5858 0.6447 0.6648 2.0565 2.0664 2.8020 2.8955 2.9128 2.9567 2.9954 2.9989 3.0800 3.0818 3.3035 3.3392 3.7633 3.7802 3.8890 3.8973 4.4412 4.4747 4.6194 4.6843 4.7064 4.8031 4.8612 4.9249 5.0437 5.1335 5.1554 5.2160 5.4356 5.4579 5.5112 5.5612 5.8219 5.8780 5.9753 6.0085 7.2421 7.2528 11.7341 11.7560 12.5309 12.5375 12.9813 12.9889 13.4358 13.4637 14.0219 14.0270 k = 0.0000 0.0000 0.1208 ( 4541 PWs) bands (ev): -22.3151 -22.3151 -13.9283 -13.9283 -11.7074 -11.7060 -11.6791 -11.6790 -11.6485 -11.6462 -6.0459 -6.0294 -5.7891 -5.7845 -5.7714 -5.7585 -2.5971 -2.5965 0.4561 0.5067 0.5522 0.5787 0.6486 0.6756 2.0590 2.0703 2.7862 2.8852 2.9071 2.9514 2.9987 3.0006 3.0855 3.0860 3.3058 3.3451 3.7588 3.7880 3.9065 3.9074 4.4354 4.4696 4.6006 4.6716 4.6989 4.8066 4.8482 4.9216 5.0248 5.1355 5.1558 5.2194 5.4154 5.4399 5.5036 5.5589 5.8429 5.9057 5.9670 6.0032 7.3003 7.3117 11.7251 11.7508 12.4943 12.5020 12.9082 12.9174 13.4131 13.4401 14.0664 14.0707 k = 0.0000 0.0000 0.1380 ( 4547 PWs) bands (ev): -22.3151 -22.3151 -13.9268 -13.9268 -11.7087 -11.7072 -11.6803 -11.6801 -11.6495 -11.6470 -6.0468 -6.0285 -5.7905 -5.7850 -5.7708 -5.7569 -2.5928 -2.5920 0.4568 0.5098 0.5480 0.5707 0.6542 0.6878 2.0619 2.0747 2.7683 2.8646 2.9082 2.9459 3.0027 3.0033 3.0898 3.0927 3.3086 3.3508 3.7537 3.7961 3.9194 3.9264 4.4294 4.4614 4.5809 4.6599 4.6894 4.8081 4.8359 4.9176 5.0078 5.1371 5.1553 5.2217 5.3958 5.4208 5.4959 5.5567 5.8646 5.9325 5.9589 5.9982 7.3651 7.3769 11.7150 11.7445 12.4541 12.4627 12.8347 12.8456 13.3946 13.4207 14.1015 14.1057 k = 0.0000 0.0000 0.1553 ( 4539 PWs) bands (ev): -22.3150 -22.3150 -13.9250 -13.9250 -11.7101 -11.7085 -11.6817 -11.6814 -11.6505 -11.6479 -6.0476 -6.0277 -5.7917 -5.7854 -5.7703 -5.7554 -2.5879 -2.5870 0.4574 0.5080 0.5475 0.5624 0.6616 0.7010 2.0655 2.0795 2.7486 2.8408 2.9090 2.9402 3.0073 3.0075 3.0945 3.1001 3.3119 3.3561 3.7485 3.8041 3.9334 3.9478 4.4233 4.4497 4.5608 4.6496 4.6780 4.8074 4.8246 4.9127 4.9938 5.1377 5.1539 5.2234 5.3776 5.4019 5.4882 5.5546 5.8841 5.9520 5.9535 5.9998 7.4358 7.4478 11.7037 11.7371 12.4109 12.4204 12.7618 12.7746 13.3799 13.4050 14.1265 14.1313 k = 0.0000 0.0000 0.1725 ( 4535 PWs) bands (ev): -22.3150 -22.3150 -13.9231 -13.9231 -11.7116 -11.7101 -11.6831 -11.6828 -11.6516 -11.6489 -6.0482 -6.0269 -5.7927 -5.7858 -5.7697 -5.7541 -2.5827 -2.5817 0.4571 0.5008 0.5516 0.5548 0.6706 0.7150 2.0696 2.0849 2.7271 2.8150 2.9084 2.9343 3.0128 3.0131 3.0999 3.1079 3.3154 3.3610 3.7435 3.8114 3.9495 3.9699 4.4174 4.4344 4.5405 4.6406 4.6649 4.8044 4.8148 4.9067 4.9832 5.1366 5.1515 5.2249 5.3617 5.3840 5.4803 5.5522 5.8942 5.9538 5.9573 6.0178 7.5119 7.5236 11.6910 11.7285 12.3653 12.3756 12.6901 12.7049 13.3686 13.3926 14.1420 14.1480 k = 0.0000 0.0000 0.1898 ( 4539 PWs) bands (ev): -22.3149 -22.3149 -13.9210 -13.9210 -11.7134 -11.7118 -11.6847 -11.6843 -11.6527 -11.6501 -6.0487 -6.0262 -5.7935 -5.7862 -5.7692 -5.7528 -2.5771 -2.5759 0.4551 0.4898 0.5490 0.5587 0.6809 0.7296 2.0742 2.0907 2.7040 2.7877 2.9060 2.9279 3.0193 3.0197 3.1059 3.1162 3.3192 3.3655 3.7389 3.8178 3.9675 3.9920 4.4118 4.4162 4.5201 4.6327 4.6502 4.7992 4.8070 4.8994 4.9763 5.1330 5.1486 5.2268 5.3485 5.3677 5.4721 5.5496 5.8906 5.9442 5.9741 6.0457 7.5927 7.6040 11.6770 11.7184 12.3181 12.3290 12.6204 12.6373 13.3597 13.3826 14.1487 14.1563 k = 0.0000 0.0000 0.2070 ( 4541 PWs) bands (ev): -22.3149 -22.3149 -13.9188 -13.9187 -11.7153 -11.7138 -11.6863 -11.6859 -11.6539 -11.6513 -6.0490 -6.0256 -5.7941 -5.7864 -5.7687 -5.7517 -2.5712 -2.5699 0.4506 0.4766 0.5457 0.5674 0.6924 0.7446 2.0794 2.0970 2.6796 2.7592 2.9020 2.9211 3.0261 3.0280 3.1124 3.1247 3.3232 3.3694 3.7349 3.8232 3.9867 4.0129 4.3959 4.4073 4.4995 4.6257 4.6341 4.7922 4.8015 4.8914 4.9722 5.1265 5.1453 5.2298 5.3381 5.3535 5.4635 5.5465 5.8786 5.9301 5.9984 6.0761 7.6776 7.6883 11.6614 11.7068 12.2698 12.2811 12.5532 12.5725 13.3528 13.3744 14.1476 14.1568 k = 0.0000 0.0000 0.2243 ( 4547 PWs) bands (ev): -22.3148 -22.3148 -13.9164 -13.9164 -11.7173 -11.7159 -11.6880 -11.6875 -11.6551 -11.6525 -6.0492 -6.0250 -5.7944 -5.7866 -5.7683 -5.7506 -2.5650 -2.5636 0.4431 0.4620 0.5457 0.5772 0.7047 0.7599 2.0852 2.1037 2.6541 2.7297 2.8966 2.9138 3.0333 3.0373 3.1196 3.1334 3.3275 3.3729 3.7316 3.8277 4.0063 4.0316 4.3748 4.4045 4.4788 4.6168 4.6196 4.7838 4.7985 4.8833 4.9698 5.1171 5.1425 5.2340 5.3305 5.3418 5.4546 5.5429 5.8627 5.9137 6.0253 6.1071 7.7664 7.7762 11.6440 11.6933 12.2207 12.2324 12.4894 12.5110 13.3469 13.3671 14.1396 14.1499 k = 0.0000 0.0000 0.2416 ( 4545 PWs) bands (ev): -22.3148 -22.3148 -13.9139 -13.9138 -11.7196 -11.7183 -11.6897 -11.6892 -11.6564 -11.6539 -6.0492 -6.0244 -5.7944 -5.7866 -5.7678 -5.7497 -2.5587 -2.5571 0.4329 0.4465 0.5488 0.5877 0.7176 0.7753 2.0915 2.1110 2.6277 2.6996 2.8899 2.9059 3.0409 3.0474 3.1273 3.1422 3.3320 3.3760 3.7292 3.8312 4.0250 4.0470 4.3544 4.4045 4.4583 4.5983 4.6140 4.7745 4.7978 4.8755 4.9682 5.1053 5.1408 5.2394 5.3255 5.3326 5.4454 5.5387 5.8445 5.8956 6.0531 6.1377 7.8585 7.8674 11.6245 11.6775 12.1712 12.1830 12.4297 12.4535 13.3412 13.3597 14.1251 14.1354 k = 0.0000 0.0000 0.2588 ( 4537 PWs) bands (ev): -22.3147 -22.3147 -13.9112 -13.9112 -11.7220 -11.7209 -11.6915 -11.6909 -11.6576 -11.6553 -6.0489 -6.0239 -5.7942 -5.7866 -5.7674 -5.7489 -2.5522 -2.5504 0.4206 0.4304 0.5544 0.5988 0.7310 0.7907 2.0985 2.1188 2.6007 2.6690 2.8822 2.8974 3.0489 3.0579 3.1354 3.1511 3.3367 3.3788 3.7277 3.8339 4.0410 4.0578 4.3359 4.4080 4.4388 4.5790 4.6090 4.7646 4.7995 4.8679 4.9667 5.0917 5.1408 5.2459 5.3226 5.3260 5.4358 5.5340 5.8247 5.8760 6.0808 6.1674 7.9537 7.9614 11.6028 11.6591 12.1215 12.1334 12.3747 12.4006 13.3346 13.3511 14.1044 14.1126 k = 0.0000 0.0000 0.2761 ( 4547 PWs) bands (ev): -22.3147 -22.3147 -13.9085 -13.9085 -11.7246 -11.7236 -11.6933 -11.6927 -11.6589 -11.6566 -6.0486 -6.0235 -5.7937 -5.7864 -5.7671 -5.7482 -2.5456 -2.5436 0.4067 0.4139 0.5620 0.6104 0.7447 0.8060 2.1059 2.1270 2.5734 2.6383 2.8735 2.8882 3.0570 3.0686 3.1439 3.1600 3.3419 3.3813 3.7271 3.8357 4.0524 4.0634 4.3204 4.4154 4.4213 4.5592 4.6045 4.7545 4.8030 4.8603 4.9652 5.0767 5.1431 5.2530 5.3216 5.3218 5.4260 5.5286 5.8037 5.8553 6.1079 6.1960 8.0515 8.0581 11.5786 11.6376 12.0718 12.0835 12.3252 12.3528 13.3260 13.3401 14.0773 14.0808 k = 0.0000 0.0000 0.2933 ( 4551 PWs) bands (ev): -22.3146 -22.3146 -13.9057 -13.9057 -11.7273 -11.7266 -11.6950 -11.6945 -11.6601 -11.6580 -6.0480 -6.0230 -5.7930 -5.7862 -5.7667 -5.7475 -2.5389 -2.5368 0.3918 0.3972 0.5711 0.6224 0.7584 0.8209 2.1139 2.1357 2.5460 2.6076 2.8640 2.8784 3.0652 3.0793 3.1525 3.1687 3.3476 3.3837 3.7273 3.8368 4.0574 4.0635 4.3082 4.4077 4.4268 4.5392 4.6009 4.7444 4.8082 4.8521 4.9638 5.0611 5.1479 5.2602 5.3193 5.3229 5.4162 5.5226 5.7818 5.8336 6.1341 6.2232 8.1518 8.1571 11.5518 11.6127 12.0221 12.0335 12.2818 12.3106 13.3139 13.3250 14.0410 14.0445 k = 0.0000 0.0000 0.3106 ( 4547 PWs) bands (ev): -22.3145 -22.3145 -13.9028 -13.9028 -11.7303 -11.7298 -11.6967 -11.6962 -11.6613 -11.6594 -6.0473 -6.0226 -5.7920 -5.7859 -5.7664 -5.7469 -2.5323 -2.5301 0.3764 0.3805 0.5813 0.6347 0.7719 0.8354 2.1225 2.1449 2.5187 2.5771 2.8538 2.8680 3.0735 3.0898 3.1612 3.1772 3.3540 3.3861 3.7282 3.8370 4.0553 4.0585 4.2981 4.4002 4.4412 4.5201 4.5982 4.7344 4.8147 4.8430 4.9632 5.0453 5.1553 5.2669 5.3191 5.3258 5.4064 5.5160 5.7591 5.8111 6.1591 6.2487 8.2543 8.2582 11.5223 11.5843 11.9724 11.9832 12.2450 12.2744 13.2966 13.3041 13.9963 14.0081 k = 0.0000 0.0000 0.3278 ( 4547 PWs) bands (ev): -22.3145 -22.3145 -13.8999 -13.8998 -11.7334 -11.7331 -11.6984 -11.6980 -11.6625 -11.6608 -6.0464 -6.0223 -5.7907 -5.7854 -5.7661 -5.7465 -2.5257 -2.5233 0.3607 0.3639 0.5924 0.6473 0.7852 0.8493 2.1316 2.1545 2.4918 2.5472 2.8429 2.8570 3.0818 3.0999 3.1698 3.1853 3.3611 3.3888 3.7299 3.8362 4.0464 4.0491 4.2878 4.4005 4.4555 4.5043 4.5969 4.7245 4.8222 4.8325 4.9637 5.0294 5.1650 5.2728 5.3208 5.3303 5.3975 5.5087 5.7360 5.7881 6.1827 6.2726 8.3587 8.3613 11.4902 11.5522 11.9225 11.9326 12.2149 12.2442 13.2724 13.2761 13.9513 13.9716 k = 0.0000 0.0000 0.3451 ( 4539 PWs) bands (ev): -22.3144 -22.3144 -13.8969 -13.8969 -11.7366 -11.7365 -11.7001 -11.6997 -11.6636 -11.6621 -6.0453 -6.0219 -5.7892 -5.7849 -5.7659 -5.7460 -2.5192 -2.5167 0.3450 0.3475 0.6041 0.6599 0.7981 0.8625 2.1413 2.1646 2.4655 2.5180 2.8314 2.8454 3.0900 3.1095 3.1780 3.1928 3.3691 3.3919 3.7320 3.8345 4.0324 4.0363 4.2765 4.4078 4.4591 4.5017 4.5972 4.7148 4.8205 4.8302 4.9656 5.0140 5.1767 5.2775 5.3245 5.3351 5.3908 5.5009 5.7126 5.7646 6.2047 6.2944 8.4650 8.4662 11.4558 11.5169 11.8722 11.8814 12.1914 12.2199 13.2396 13.2400 13.9109 13.9387 k = 0.0000 0.0000 0.3623 ( 4533 PWs) bands (ev): -22.3143 -22.3143 -13.8940 -13.8939 -11.7401 -11.7399 -11.7016 -11.7013 -11.6648 -11.6634 -6.0441 -6.0215 -5.7875 -5.7842 -5.7657 -5.7457 -2.5128 -2.5103 0.3295 0.3314 0.6162 0.6726 0.8105 0.8750 2.1514 2.1751 2.4401 2.4897 2.8193 2.8333 3.0980 3.1186 3.1857 3.1995 3.3782 3.3956 3.7346 3.8316 4.0149 4.0210 4.2647 4.4196 4.4471 4.5166 4.5996 4.7053 4.8069 4.8385 4.9690 4.9992 5.1897 5.2810 5.3302 5.3374 5.3889 5.4925 5.6893 5.7410 6.2250 6.3142 8.5726 8.5728 11.4194 11.4789 11.8212 11.8293 12.1743 12.2013 13.1946 13.1988 13.8780 13.9124 k = 0.0000 0.0000 0.3796 ( 4539 PWs) bands (ev): -22.3143 -22.3143 -13.8910 -13.8910 -11.7437 -11.7433 -11.7032 -11.7029 -11.6658 -11.6646 -6.0429 -6.0212 -5.7857 -5.7835 -5.7654 -5.7454 -2.5066 -2.5040 0.3143 0.3157 0.6287 0.6852 0.8223 0.8865 2.1620 2.1860 2.4157 2.4625 2.8067 2.8206 3.1060 3.1271 3.1926 3.2053 3.3885 3.4000 3.7374 3.8276 3.9954 4.0040 4.2534 4.4307 4.4329 4.5373 4.6045 4.6960 4.7920 4.8467 4.9736 4.9853 5.2033 5.2833 5.3347 5.3380 5.3944 5.4836 5.6662 5.7172 6.2434 6.3317 8.6805 8.6820 11.3817 11.4387 11.7691 11.7761 12.1629 12.1881 13.1418 13.1492 13.8542 13.8940 k = 0.0000 0.0000 0.3968 ( 4543 PWs) bands (ev): -22.3142 -22.3142 -13.8881 -13.8881 -11.7473 -11.7468 -11.7046 -11.7044 -11.6668 -11.6658 -6.0415 -6.0209 -5.7837 -5.7828 -5.7652 -5.7451 -2.5006 -2.4980 0.2995 0.3007 0.6413 0.6976 0.8333 0.8971 2.1730 2.1973 2.3925 2.4364 2.7937 2.8076 3.1137 3.1351 3.1987 3.2101 3.3999 3.4054 3.7402 3.8223 3.9749 3.9859 4.2436 4.4141 4.4457 4.5594 4.6121 4.6868 4.7763 4.8547 4.9727 4.9791 5.2169 5.2843 5.3281 5.3480 5.4064 5.4745 5.6438 5.6937 6.2598 6.3470 8.7896 8.7925 11.3432 11.3973 11.7155 11.7213 12.1567 12.1797 13.0830 13.0928 13.8393 13.8835 k = 0.0000 0.0000 0.4141 ( 4539 PWs) bands (ev): -22.3141 -22.3141 -13.8852 -13.8852 -11.7510 -11.7503 -11.7060 -11.7058 -11.6678 -11.6669 -6.0400 -6.0206 -5.7819 -5.7816 -5.7650 -5.7449 -2.4949 -2.4922 0.2853 0.2862 0.6539 0.7097 0.8436 0.9065 2.1844 2.2089 2.3707 2.4117 2.7803 2.7941 3.1212 3.1424 3.2037 3.2138 3.4119 3.4123 3.7430 3.8159 3.9542 3.9673 4.2358 4.3983 4.4565 4.5815 4.6221 4.6778 4.7601 4.8621 4.9618 4.9853 5.2298 5.2838 5.3201 5.3600 5.4224 5.4656 5.6226 5.6705 6.2744 6.3599 8.8998 8.9040 11.3045 11.3554 11.6599 11.6643 12.1549 12.1756 13.0202 13.0316 13.8323 13.8800 k = 0.0000 0.0000 0.4314 ( 4547 PWs) bands (ev): -22.3141 -22.3141 -13.8824 -13.8824 -11.7546 -11.7539 -11.7074 -11.7072 -11.6687 -11.6679 -6.0386 -6.0204 -5.7810 -5.7795 -5.7648 -5.7448 -2.4894 -2.4868 0.2717 0.2724 0.6665 0.7215 0.8532 0.9149 2.1960 2.2207 2.3505 2.3885 2.7667 2.7804 3.1285 3.1491 3.2075 3.2163 3.4195 3.4258 3.7454 3.8083 3.9340 3.9487 4.2301 4.3837 4.4648 4.6029 4.6337 4.6686 4.7439 4.8687 4.9529 4.9917 5.2412 5.2809 5.3131 5.3727 5.4411 5.4577 5.6029 5.6479 6.2869 6.3704 9.0111 9.0165 11.2662 11.3136 11.6018 11.6047 12.1568 12.1753 12.9556 12.9681 13.8317 13.8823 k = 0.0000 0.0000 0.4486 ( 4539 PWs) bands (ev): -22.3140 -22.3140 -13.8798 -13.8797 -11.7581 -11.7573 -11.7086 -11.7085 -11.6695 -11.6689 -6.0370 -6.0201 -5.7801 -5.7773 -5.7645 -5.7447 -2.4842 -2.4817 0.2589 0.2594 0.6789 0.7327 0.8619 0.9221 2.2078 2.2326 2.3319 2.3668 2.7528 2.7664 3.1355 3.1553 3.2103 3.2178 3.4283 3.4402 3.7474 3.7997 3.9145 3.9303 4.2268 4.3706 4.4709 4.6232 4.6458 4.6594 4.7285 4.8744 4.9467 4.9982 5.2510 5.2752 5.3082 5.3836 5.4528 5.4616 5.5859 5.6260 6.2976 6.3786 9.1232 9.1298 11.2289 11.2727 11.5406 11.5421 12.1619 12.1781 12.8914 12.9043 13.8361 13.8891 k = 0.0000 0.0000 0.4659 ( 4535 PWs) bands (ev): -22.3140 -22.3140 -13.8772 -13.8772 -11.7615 -11.7607 -11.7098 -11.7096 -11.6703 -11.6698 -6.0355 -6.0200 -5.7791 -5.7753 -5.7641 -5.7446 -2.4794 -2.4769 0.2468 0.2473 0.6910 0.7433 0.8699 0.9282 2.2195 2.2447 2.3153 2.3467 2.7389 2.7523 3.1422 3.1609 3.2119 3.2184 3.4382 3.4552 3.7488 3.7903 3.8961 3.9125 4.2256 4.3589 4.4752 4.6402 4.6514 4.6570 4.7147 4.8787 4.9435 5.0046 5.2590 5.2674 5.3056 5.3886 5.4532 5.4833 5.5727 5.6051 6.3063 6.3844 9.2360 9.2438 11.1929 11.2331 11.4758 11.4760 12.1694 12.1835 12.8292 12.8420 13.8443 13.8991 k = 0.0000 0.0000 0.4831 ( 4535 PWs) bands (ev): -22.3139 -22.3139 -13.8748 -13.8747 -11.7648 -11.7639 -11.7108 -11.7107 -11.6710 -11.6706 -6.0340 -6.0198 -5.7781 -5.7734 -5.7636 -5.7446 -2.4749 -2.4725 0.2356 0.2360 0.7028 0.7532 0.8771 0.9331 2.2308 2.2566 2.3010 2.3282 2.7250 2.7382 3.1487 3.1659 3.2125 3.2181 3.4492 3.4707 3.7493 3.7803 3.8790 3.8956 4.2265 4.3486 4.4782 4.6365 4.6604 4.6661 4.7045 4.8816 4.9436 5.0107 5.2586 5.2654 5.3041 5.3856 5.4583 5.5057 5.5654 5.5854 6.3134 6.3880 9.3494 9.3582 11.1589 11.1954 11.4056 11.4073 12.1787 12.1909 12.7703 12.7828 13.8551 13.9112 k = 0.0000 0.0000 0.5004 ( 4543 PWs) bands (ev): -22.3139 -22.3139 -13.8725 -13.8725 -11.7678 -11.7670 -11.7118 -11.7117 -11.6717 -11.6713 -6.0325 -6.0197 -5.7772 -5.7719 -5.7628 -5.7447 -2.4708 -2.4685 0.2253 0.2256 0.7142 0.7621 0.8837 0.9368 2.2408 2.2683 2.2897 2.3116 2.7113 2.7242 3.1548 3.1705 3.2121 3.2170 3.4610 3.4864 3.7490 3.7699 3.8633 3.8796 4.2291 4.3397 4.4805 4.6246 4.6694 4.6726 4.7022 4.8828 4.9471 5.0165 5.2500 5.2703 5.3030 5.3772 5.4628 5.5276 5.5665 5.5676 6.3188 6.3893 9.4632 9.4730 11.1271 11.1600 11.3311 11.3344 12.1894 12.1998 12.7159 12.7278 13.8677 13.9244 k = 0.0000 0.0000 0.5176 ( 4540 PWs) bands (ev): -22.3139 -22.3139 -13.8704 -13.8704 -11.7707 -11.7699 -11.7127 -11.7126 -11.6722 -11.6720 -6.0310 -6.0197 -5.7762 -5.7707 -5.7616 -5.7448 -2.4670 -2.4650 0.2160 0.2162 0.7252 0.7701 0.8897 0.9394 2.2474 2.2789 2.2834 2.2974 2.6981 2.7104 3.1605 3.1744 3.2111 3.2155 3.4736 3.5020 3.7477 3.7592 3.8492 3.8647 4.2333 4.3321 4.4824 4.6113 4.6688 4.6763 4.7113 4.8825 4.9535 5.0217 5.2425 5.2739 5.3020 5.3660 5.4633 5.5404 5.5602 5.5762 6.3230 6.3887 9.5772 9.5880 11.0978 11.1272 11.2524 11.2571 12.2007 12.2096 12.6668 12.6778 13.8814 13.9375 k = 0.0000 0.0000 0.5349 ( 4536 PWs) bands (ev): -22.3138 -22.3138 -13.8685 -13.8685 -11.7733 -11.7725 -11.7135 -11.7134 -11.6727 -11.6725 -6.0296 -6.0197 -5.7753 -5.7700 -5.7602 -5.7450 -2.4637 -2.4618 0.2077 0.2079 0.7355 0.7768 0.8953 0.9409 2.2479 2.2799 2.2848 2.2939 2.6854 2.6971 3.1659 3.1779 3.2095 3.2135 3.4868 3.5173 3.7453 3.7487 3.8368 3.8512 4.2387 4.3255 4.4843 4.5972 4.6647 4.6775 4.7253 4.8803 4.9624 5.0264 5.2364 5.2762 5.3008 5.3533 5.4606 5.5292 5.5777 5.5918 6.3261 6.3864 9.6914 9.7029 11.0710 11.0970 11.1696 11.1756 12.2123 12.2197 12.6234 12.6333 13.8954 13.9496 k = 0.0000 0.0000 0.5521 ( 4532 PWs) bands (ev): -22.3138 -22.3138 -13.8669 -13.8668 -11.7755 -11.7749 -11.7142 -11.7141 -11.6732 -11.6730 -6.0283 -6.0198 -5.7744 -5.7695 -5.7586 -5.7452 -2.4608 -2.4591 0.2005 0.2006 0.7452 0.7824 0.9005 0.9414 2.2439 2.2694 2.2918 2.3027 2.6736 2.6845 3.1709 3.1810 3.2076 3.2113 3.5003 3.5317 3.7384 3.7419 3.8262 3.8392 4.2450 4.3198 4.4863 4.5828 4.6608 4.6765 4.7402 4.8764 4.9729 5.0303 5.2322 5.2774 5.2994 5.3399 5.4569 5.5152 5.5984 5.6098 6.3286 6.3825 9.8055 9.8177 11.0445 11.0673 11.0854 11.0924 12.2235 12.2297 12.5860 12.5949 13.9093 13.9598 k = 0.0000 0.0000 0.5694 ( 4544 PWs) bands (ev): -22.3138 -22.3138 -13.8654 -13.8654 -11.7775 -11.7769 -11.7148 -11.7148 -11.6736 -11.6734 -6.0270 -6.0200 -5.7736 -5.7694 -5.7569 -5.7456 -2.4582 -2.4568 0.1943 0.1944 0.7542 0.7865 0.9055 0.9409 2.2390 2.2594 2.3006 2.3116 2.6630 2.6728 3.1755 3.1835 3.2054 3.2088 3.5137 3.5447 3.7289 3.7374 3.8174 3.8286 4.2520 4.3146 4.4886 4.5686 4.6578 4.6742 4.7550 4.8707 4.9840 5.0332 5.2302 5.2778 5.2976 5.3263 5.4537 5.5021 5.6179 5.6277 6.3306 6.3774 9.9193 9.9321 10.9833 10.9954 11.0351 11.0506 12.2339 12.2390 12.5548 12.5624 13.9225 13.9675 k = 0.0000 0.0000 0.5866 ( 4538 PWs) bands (ev): -22.3137 -22.3137 -13.8642 -13.8642 -11.7791 -11.7787 -11.7153 -11.7152 -11.6739 -11.6738 -6.0259 -6.0203 -5.7728 -5.7693 -5.7552 -5.7461 -2.4561 -2.4550 0.1892 0.1892 0.7624 0.7892 0.9102 0.9396 2.2348 2.2508 2.3095 2.3194 2.6539 2.6623 3.1797 3.1857 3.2031 3.2064 3.5269 3.5559 3.7206 3.7321 3.8104 3.8197 4.2595 4.3097 4.4916 4.5551 4.6558 4.6710 4.7696 4.8635 4.9951 5.0351 5.2305 5.2771 5.2957 5.3134 5.4516 5.4904 5.6354 5.6437 6.3327 6.3715 10.0326 10.0458 10.8902 10.9017 11.0167 11.0302 12.2430 12.2470 12.5298 12.5361 13.9348 13.9725 k = 0.0000 0.0000 0.6039 ( 4548 PWs) bands (ev): -22.3137 -22.3137 -13.8633 -13.8633 -11.7804 -11.7800 -11.7157 -11.7156 -11.6741 -11.6741 -6.0248 -6.0206 -5.7722 -5.7695 -5.7536 -5.7468 -2.4544 -2.4535 0.1852 0.1852 0.7698 0.7904 0.9149 0.9375 2.2318 2.2437 2.3175 2.3256 2.6467 2.6534 3.1835 3.1875 3.2010 3.2039 3.5393 3.5642 3.7141 3.7263 3.8053 3.8123 4.2670 4.3048 4.4953 4.5426 4.6549 4.6674 4.7836 4.8549 5.0055 5.0357 5.2331 5.2750 5.2937 5.3020 5.4511 5.4803 5.6501 5.6568 6.3351 6.3650 10.1452 10.1587 10.7917 10.8038 11.0040 11.0143 12.2505 12.2536 12.5109 12.5156 13.9457 13.9749 k = 0.0000 0.0000 0.6211 ( 4548 PWs) bands (ev): -22.3137 -22.3137 -13.8626 -13.8626 -11.7813 -11.7811 -11.7159 -11.7159 -11.6743 -11.6742 -6.0239 -6.0211 -5.7715 -5.7697 -5.7521 -5.7475 -2.4532 -2.4526 0.1823 0.1823 0.7761 0.7902 0.9194 0.9348 2.2301 2.2380 2.3241 2.3298 2.6416 2.6463 3.1868 3.1891 3.1992 3.2015 3.5506 3.5691 3.7102 3.7204 3.8019 3.8067 4.2744 4.2997 4.5000 4.5313 4.6551 4.6638 4.7971 4.8450 5.0147 5.0349 5.2380 5.2702 5.2919 5.2940 5.4521 5.4716 5.6615 5.6663 6.3381 6.3585 10.2567 10.2703 10.6900 10.7027 10.9956 11.0025 12.2562 12.2583 12.4978 12.5010 13.9551 13.9750 k = 0.0000 0.0000 0.6384 ( 4554 PWs) bands (ev): -22.3137 -22.3137 -13.8622 -13.8622 -11.7818 -11.7817 -11.7161 -11.7161 -11.6744 -11.6744 -6.0230 -6.0216 -5.7710 -5.7701 -5.7507 -5.7484 -2.4524 -2.4521 0.1806 0.1806 0.7815 0.7886 0.9237 0.9315 2.2299 2.2338 2.3289 2.3318 2.6389 2.6413 3.1893 3.1902 3.1980 3.1993 3.5600 3.5699 3.7092 3.7150 3.8004 3.8029 4.2815 4.2942 4.5058 4.5214 4.6561 4.6606 4.8101 4.8342 5.0223 5.0324 5.2449 5.2623 5.2904 5.2904 5.4547 5.4645 5.6692 5.6717 6.3420 6.3523 10.3664 10.3798 10.5862 10.5992 10.9912 10.9947 12.2599 12.2609 12.4904 12.4920 13.9629 13.9730 k = 0.0000 0.0000 0.6557 ( 4558 PWs) bands (ev): -22.3137 -22.3137 -13.8621 -13.8621 -11.7820 -11.7820 -11.7161 -11.7161 -11.6744 -11.6744 -6.0223 -6.0223 -5.7705 -5.7705 -5.7495 -5.7495 -2.4520 -2.4520 0.1800 0.1800 0.7857 0.7857 0.9278 0.9278 2.2311 2.2311 2.3315 2.3315 2.6389 2.6389 3.1905 3.1905 3.1979 3.1979 3.5667 3.5667 3.7110 3.7110 3.8008 3.8008 4.2881 4.2881 4.5129 4.5129 4.6580 4.6580 4.8225 4.8225 5.0282 5.0282 5.2533 5.2533 5.2897 5.2897 5.4588 5.4588 5.6726 5.6726 6.3468 6.3468 10.4625 10.4625 10.5052 10.5052 10.9909 10.9909 12.2615 12.2615 12.4885 12.4885 13.9689 13.9689 k = 0.0000 0.0000 0.6557 ( 4558 PWs) bands (ev): -22.3137 -22.3137 -13.8621 -13.8621 -11.7820 -11.7820 -11.7161 -11.7161 -11.6744 -11.6744 -6.0223 -6.0223 -5.7705 -5.7705 -5.7495 -5.7495 -2.4520 -2.4520 0.1800 0.1800 0.7857 0.7857 0.9278 0.9278 2.2311 2.2311 2.3315 2.3315 2.6389 2.6389 3.1905 3.1905 3.1979 3.1979 3.5667 3.5667 3.7110 3.7110 3.8008 3.8008 4.2881 4.2881 4.5129 4.5129 4.6580 4.6580 4.8225 4.8225 5.0282 5.0282 5.2533 5.2533 5.2897 5.2897 5.4588 5.4588 5.6726 5.6726 6.3468 6.3468 10.4625 10.4625 10.5052 10.5052 10.9909 10.9909 12.2615 12.2615 12.4885 12.4885 13.9689 13.9689 k =-0.0129 0.0109 0.6557 ( 4554 PWs) bands (ev): -22.3137 -22.3137 -13.8620 -13.8620 -11.7820 -11.7818 -11.7171 -11.7154 -11.6754 -11.6736 -6.0240 -6.0206 -5.7722 -5.7690 -5.7496 -5.7491 -2.4524 -2.4523 0.1807 0.1817 0.7856 0.7864 0.9278 0.9288 2.2267 2.2322 2.3294 2.3371 2.6357 2.6415 3.1878 3.1914 3.1949 3.2005 3.5658 3.5678 3.7065 3.7088 3.8011 3.8065 4.2848 4.2912 4.4996 4.5250 4.6492 4.6669 4.8210 4.8226 5.0225 5.0347 5.2465 5.2544 5.2878 5.2948 5.4516 5.4602 5.6726 5.6822 6.3439 6.3484 10.4630 10.4631 10.5057 10.5073 10.9901 10.9910 12.2521 12.2641 12.4832 12.4973 13.9405 13.9535 k =-0.0257 0.0218 0.6557 ( 4550 PWs) bands (ev): -22.3137 -22.3137 -13.8619 -13.8619 -11.7819 -11.7815 -11.7182 -11.7149 -11.6765 -11.6729 -6.0256 -6.0189 -5.7741 -5.7678 -5.7493 -5.7484 -2.4534 -2.4531 0.1837 0.1857 0.7863 0.7879 0.9289 0.9308 2.2197 2.2296 2.3313 2.3455 2.6321 2.6436 3.1833 3.1894 3.1924 3.2024 3.5651 3.5692 3.6963 3.7012 3.8067 3.8172 4.2814 4.2940 4.4852 4.5357 4.6407 4.6754 4.8179 4.8218 5.0174 5.0415 5.2354 5.2514 5.2882 5.3006 5.4398 5.4566 5.6819 5.7001 6.3397 6.3486 10.4643 10.4645 10.5088 10.5120 10.9886 10.9903 12.2371 12.2593 12.4823 12.5088 13.8910 13.9072 k =-0.0386 0.0327 0.6557 ( 4550 PWs) bands (ev): -22.3137 -22.3137 -13.8618 -13.8617 -11.7817 -11.7810 -11.7194 -11.7146 -11.6776 -11.6724 -6.0272 -6.0172 -5.7761 -5.7670 -5.7489 -5.7473 -2.4550 -2.4546 0.1891 0.1920 0.7878 0.7900 0.9311 0.9339 2.2110 2.2238 2.3367 2.3558 2.6282 2.6452 3.1769 3.1840 3.1908 3.2036 3.5643 3.5710 3.6826 3.6901 3.8157 3.8306 4.2778 4.2964 4.4701 4.5450 4.6327 4.6830 4.8129 4.8208 5.0131 5.0485 5.2221 5.2461 5.2889 5.3032 5.4271 5.4504 5.6985 5.7241 6.3341 6.3476 10.4666 10.4669 10.5144 10.5192 10.9863 10.9889 12.2175 12.2473 12.4857 12.5218 13.8348 13.8507 k =-0.0515 0.0437 0.6557 ( 4546 PWs) bands (ev): -22.3137 -22.3137 -13.8615 -13.8614 -11.7814 -11.7805 -11.7208 -11.7145 -11.6789 -11.6720 -6.0288 -6.0156 -5.7781 -5.7664 -5.7483 -5.7458 -2.4573 -2.4567 0.1967 0.2006 0.7899 0.7929 0.9342 0.9380 2.2012 2.2155 2.3448 2.3675 2.6240 2.6463 3.1687 3.1768 3.1886 3.2040 3.5634 3.5733 3.6672 3.6769 3.8264 3.8455 4.2742 4.2983 4.4546 4.5527 4.6252 4.6894 4.8060 4.8202 5.0095 5.0551 5.2081 5.2394 5.2884 5.2987 5.4180 5.4438 5.7207 5.7523 6.3273 6.3453 10.4698 10.4701 10.5224 10.5288 10.9833 10.9868 12.1943 12.2289 12.4926 12.5357 13.7764 13.7911 k =-0.0643 0.0546 0.6557 ( 4548 PWs) bands (ev): -22.3137 -22.3137 -13.8612 -13.8610 -11.7810 -11.7798 -11.7223 -11.7146 -11.6803 -11.6718 -6.0302 -6.0140 -5.7801 -5.7661 -5.7476 -5.7441 -2.4601 -2.4595 0.2065 0.2114 0.7927 0.7965 0.9383 0.9430 2.1907 2.2055 2.3547 2.3801 2.6197 2.6469 3.1588 3.1679 3.1854 3.2033 3.5620 3.5759 3.6512 3.6624 3.8382 3.8612 4.2706 4.2997 4.4389 4.5587 4.6184 4.6940 4.7973 4.8207 5.0067 5.0609 5.1946 5.2318 5.2852 5.2859 5.4156 5.4385 5.7469 5.7832 6.3192 6.3416 10.4739 10.4742 10.5326 10.5407 10.9798 10.9840 12.1682 12.2054 12.5020 12.5499 13.7173 13.7305 k =-0.0772 0.0655 0.6557 ( 4546 PWs) bands (ev): -22.3136 -22.3136 -13.8608 -13.8606 -11.7804 -11.7790 -11.7240 -11.7150 -11.6817 -11.6718 -6.0316 -6.0124 -5.7819 -5.7660 -5.7469 -5.7422 -2.4635 -2.4628 0.2185 0.2245 0.7962 0.8007 0.9434 0.9491 2.1796 2.1944 2.3661 2.3935 2.6154 2.6472 3.1471 3.1572 3.1812 3.2013 3.5598 3.5787 3.6356 3.6472 3.8506 3.8771 4.2670 4.3004 4.4235 4.5628 4.6122 4.6970 4.7867 4.8226 5.0045 5.0649 5.1824 5.2231 5.2641 5.2808 5.4196 5.4356 5.7762 5.8161 6.3097 6.3367 10.4789 10.4792 10.5449 10.5547 10.9757 10.9808 12.1398 12.1780 12.5129 12.5640 13.6579 13.6695 k =-0.0901 0.0764 0.6557 ( 4544 PWs) bands (ev): -22.3136 -22.3136 -13.8603 -13.8601 -11.7798 -11.7781 -11.7257 -11.7157 -11.6832 -11.6720 -6.0328 -6.0110 -5.7836 -5.7661 -5.7461 -5.7402 -2.4675 -2.4667 0.2326 0.2397 0.8004 0.8056 0.9495 0.9561 2.1681 2.1826 2.3784 2.4075 2.6113 2.6471 3.1340 3.1449 3.1758 3.1976 3.5560 3.5814 3.6214 3.6320 3.8635 3.8932 4.2635 4.3004 4.4086 4.5648 4.6065 4.6987 4.7744 4.8258 5.0031 5.0664 5.1726 5.2123 5.2391 5.2729 5.4276 5.4354 5.8080 5.8504 6.2990 6.3304 10.4848 10.4850 10.5589 10.5705 10.9712 10.9771 12.1096 12.1476 12.5247 12.5779 13.5987 13.6087 k =-0.1029 0.0873 0.6557 ( 4540 PWs) bands (ev): -22.3136 -22.3136 -13.8597 -13.8595 -11.7791 -11.7770 -11.7275 -11.7165 -11.6847 -11.6724 -6.0339 -6.0096 -5.7852 -5.7661 -5.7452 -5.7381 -2.4720 -2.4711 0.2488 0.2569 0.8052 0.8111 0.9564 0.9640 2.1562 2.1702 2.3914 2.4218 2.6074 2.6469 3.1193 3.1310 3.1689 3.1920 3.5495 3.5820 3.6097 3.6186 3.8769 3.9095 4.2600 4.2997 4.3947 4.5644 4.6014 4.6999 4.7605 4.8298 5.0026 5.0643 5.1663 5.1948 5.2172 5.2626 5.4378 5.4379 5.8417 5.8858 6.2870 6.3230 10.4915 10.4916 10.5745 10.5877 10.9663 10.9731 12.0782 12.1153 12.5366 12.5912 13.5398 13.5481 k =-0.1158 0.0982 0.6557 ( 4544 PWs) bands (ev): -22.3136 -22.3136 -13.8591 -13.8588 -11.7782 -11.7759 -11.7293 -11.7176 -11.6863 -11.6730 -6.0349 -6.0082 -5.7865 -5.7662 -5.7444 -5.7361 -2.4770 -2.4761 0.2669 0.2762 0.8107 0.8173 0.9642 0.9728 2.1442 2.1574 2.4051 2.4366 2.6039 2.6466 3.1034 3.1157 3.1604 3.1844 3.5395 3.5761 3.6018 3.6114 3.8907 3.9259 4.2566 4.2980 4.3820 4.5616 4.5968 4.7014 4.7452 4.8342 5.0029 5.0584 5.1638 5.1669 5.2035 5.2501 5.4427 5.4491 5.8771 5.9219 6.2737 6.3142 10.4990 10.4992 10.5911 10.6060 10.9612 10.9689 12.0462 12.0817 12.5484 12.6037 13.4810 13.4877 k =-0.1287 0.1092 0.6557 ( 4544 PWs) bands (ev): -22.3135 -22.3135 -13.8584 -13.8581 -11.7774 -11.7746 -11.7312 -11.7190 -11.6879 -11.6737 -6.0356 -6.0070 -5.7876 -5.7663 -5.7435 -5.7341 -2.4826 -2.4816 0.2868 0.2973 0.8168 0.8241 0.9727 0.9824 2.1319 2.1442 2.4192 2.4517 2.6009 2.6464 3.0863 3.0991 3.1502 3.1745 3.5257 3.5617 3.5975 3.6123 3.9051 3.9425 4.2533 4.2955 4.3708 4.5563 4.5926 4.7037 4.7287 4.8382 5.0041 5.0493 5.1346 5.1644 5.1929 5.2361 5.4493 5.4610 5.9139 5.9587 6.2591 6.3043 10.5075 10.5075 10.6084 10.6250 10.9560 10.9646 12.0141 12.0477 12.5595 12.6152 13.4227 13.4277 k =-0.1416 0.1201 0.6557 ( 4546 PWs) bands (ev): -22.3135 -22.3135 -13.8576 -13.8573 -11.7765 -11.7733 -11.7331 -11.7205 -11.6896 -11.6747 -6.0362 -6.0058 -5.7885 -5.7664 -5.7426 -5.7321 -2.4885 -2.4875 0.3084 0.3202 0.8235 0.8314 0.9820 0.9927 2.1194 2.1309 2.4338 2.4671 2.5984 2.6462 3.0682 3.0814 3.1383 3.1625 3.5090 3.5426 3.5960 3.6173 3.9200 3.9593 4.2501 4.2920 4.3613 4.5488 4.5887 4.7072 4.7112 4.8415 5.0059 5.0382 5.1010 5.1671 5.1830 5.2211 5.4573 5.4731 5.9519 5.9960 6.2434 6.2931 10.5168 10.5168 10.6261 10.6442 10.9508 10.9603 11.9824 12.0138 12.5696 12.6255 13.3646 13.3681 k =-0.1544 0.1310 0.6557 ( 4546 PWs) bands (ev): -22.3135 -22.3135 -13.8568 -13.8565 -11.7756 -11.7719 -11.7349 -11.7222 -11.6913 -11.6759 -6.0366 -6.0047 -5.7891 -5.7664 -5.7417 -5.7302 -2.4949 -2.4939 0.3317 0.3448 0.8307 0.8393 0.9919 1.0037 2.1067 2.1173 2.4487 2.4828 2.5965 2.6463 3.0492 3.0628 3.1246 3.1484 3.4902 3.5209 3.5965 3.6243 3.9353 3.9762 4.2471 4.2877 4.3536 4.5395 4.5852 4.6928 4.7117 4.8439 5.0080 5.0260 5.0676 5.1702 5.1735 5.2059 5.4662 5.4851 5.9908 6.0337 6.2263 6.2808 10.5268 10.5269 10.6435 10.6631 10.9458 10.9563 11.9517 11.9808 12.5784 12.6343 13.3069 13.3088 k =-0.1673 0.1419 0.6557 ( 4540 PWs) bands (ev): -22.3134 -22.3134 -13.8559 -13.8556 -11.7747 -11.7705 -11.7367 -11.7241 -11.6931 -11.6773 -6.0367 -6.0036 -5.7894 -5.7663 -5.7409 -5.7285 -2.5016 -2.5006 0.3565 0.3709 0.8385 0.8478 1.0025 1.0153 2.0939 2.1036 2.4640 2.4987 2.5954 2.6467 3.0294 3.0435 3.1094 3.1324 3.4696 3.4972 3.5983 3.6324 3.9511 3.9931 4.2443 4.2826 4.3478 4.5291 4.5820 4.6738 4.7169 4.8453 5.0067 5.0136 5.0379 5.1645 5.1707 5.1935 5.4758 5.4968 6.0306 6.0716 6.2082 6.2675 10.5378 10.5379 10.6602 10.6812 10.9411 10.9526 11.9227 11.9494 12.5856 12.6414 13.2494 13.2498 k =-0.1802 0.1528 0.6557 ( 4544 PWs) bands (ev): -22.3134 -22.3134 -13.8550 -13.8546 -11.7738 -11.7690 -11.7384 -11.7261 -11.6949 -11.6788 -6.0367 -6.0027 -5.7894 -5.7662 -5.7401 -5.7268 -2.5088 -2.5078 0.3826 0.3985 0.8467 0.8566 1.0135 1.0274 2.0809 2.0897 2.4795 2.5146 2.5950 2.6474 3.0091 3.0235 3.0928 3.1148 3.4475 3.4718 3.6012 3.6413 3.9671 4.0098 4.2418 4.2769 4.3440 4.5177 4.5789 4.6545 4.7223 4.8459 4.9875 5.0012 5.0264 5.1563 5.1613 5.1907 5.4858 5.5083 6.0711 6.1094 6.1888 6.2533 10.5495 10.5497 10.6757 10.6978 10.9367 10.9494 11.8959 11.9201 12.5910 12.6465 13.1912 13.1923 k =-0.1930 0.1637 0.6557 ( 4532 PWs) bands (ev): -22.3133 -22.3133 -13.8540 -13.8536 -11.7730 -11.7674 -11.7399 -11.7283 -11.6967 -11.6806 -6.0364 -6.0017 -5.7891 -5.7660 -5.7393 -5.7253 -2.5162 -2.5152 0.4100 0.4274 0.8554 0.8660 1.0250 1.0399 2.0679 2.0758 2.4951 2.5307 2.5953 2.6485 2.9884 3.0031 3.0749 3.0957 3.4240 3.4447 3.6050 3.6510 3.9833 4.0259 4.2395 4.2706 4.3421 4.5060 4.5759 4.6353 4.7273 4.8459 4.9560 4.9892 5.0275 5.1455 5.1495 5.1943 5.4960 5.5194 6.1120 6.1465 6.1683 6.2390 10.5621 10.5624 10.6895 10.7125 10.9328 10.9468 11.8720 11.8937 12.5943 12.6494 13.1329 13.1354 k =-0.2059 0.1747 0.6557 ( 4528 PWs) bands (ev): -22.3133 -22.3133 -13.8530 -13.8526 -11.7724 -11.7658 -11.7413 -11.7305 -11.6986 -11.6825 -6.0359 -6.0009 -5.7885 -5.7657 -5.7385 -5.7238 -2.5238 -2.5230 0.4385 0.4575 0.8645 0.8757 1.0367 1.0528 2.0547 2.0618 2.5109 2.5467 2.5964 2.6500 2.9673 2.9825 3.0561 3.0757 3.3990 3.4160 3.6094 3.6612 3.9996 4.0412 4.2376 4.2638 4.3423 4.4943 4.5725 4.6168 4.7312 4.8453 4.9236 4.9777 5.0299 5.1281 5.1446 5.1993 5.5062 5.5301 6.1458 6.1540 6.1789 6.2282 10.5755 10.5758 10.7013 10.7248 10.9295 10.9449 11.8512 11.8706 12.5954 12.6500 13.0750 13.0789 k =-0.2188 0.1856 0.6557 ( 4528 PWs) bands (ev): -22.3133 -22.3133 -13.8519 -13.8515 -11.7719 -11.7643 -11.7424 -11.7328 -11.7006 -11.6845 -6.0353 -6.0001 -5.7877 -5.7654 -5.7378 -5.7225 -2.5317 -2.5309 0.4680 0.4886 0.8740 0.8858 1.0487 1.0659 2.0415 2.0478 2.5267 2.5627 2.5984 2.6520 2.9460 2.9617 3.0365 3.0549 3.3728 3.3860 3.6146 3.6721 4.0156 4.0551 4.2361 4.2566 4.3445 4.4827 4.5681 4.5998 4.7331 4.8422 4.8943 4.9667 5.0315 5.1104 5.1421 5.2047 5.5163 5.5403 6.1236 6.1879 6.1947 6.2397 10.5896 10.5901 10.7105 10.7342 10.9267 10.9437 11.8343 11.8514 12.5942 12.6482 13.0175 13.0227 k =-0.2316 0.1965 0.6557 ( 4530 PWs) bands (ev): -22.3132 -22.3132 -13.8508 -13.8504 -11.7716 -11.7627 -11.7433 -11.7352 -11.7026 -11.6867 -6.0344 -5.9993 -5.7865 -5.7649 -5.7371 -5.7213 -2.5398 -2.5390 0.4982 0.5205 0.8837 0.8962 1.0608 1.0791 2.0284 2.0339 2.5423 2.5784 2.6011 2.6545 2.9246 2.9409 3.0164 3.0337 3.3453 3.3547 3.6202 3.6834 4.0312 4.0674 4.2350 4.2489 4.3489 4.4716 4.5609 4.5864 4.7323 4.8296 4.8761 4.9560 5.0318 5.0932 5.1425 5.2101 5.5262 5.5500 6.0998 6.1742 6.2360 6.2726 10.6046 10.6051 10.7172 10.7407 10.9243 10.9431 11.8214 11.8364 12.5904 12.6437 12.9605 12.9668 k =-0.2445 0.2074 0.6557 ( 4524 PWs) bands (ev): -22.3132 -22.3132 -13.8496 -13.8492 -11.7716 -11.7612 -11.7438 -11.7375 -11.7046 -11.6891 -6.0333 -5.9986 -5.7851 -5.7644 -5.7364 -5.7203 -2.5479 -2.5473 0.5292 0.5532 0.8938 0.9069 1.0729 1.0924 2.0153 2.0201 2.5577 2.5937 2.6048 2.6576 2.9033 2.9203 2.9962 3.0124 3.3167 3.3224 3.6263 3.6952 4.0462 4.0775 4.2344 4.2409 4.3553 4.4613 4.5496 4.5783 4.7285 4.8041 4.8727 4.9454 5.0312 5.0771 5.1457 5.2153 5.5357 5.5592 6.0750 6.1555 6.2771 6.3095 10.6202 10.6209 10.7212 10.7442 10.9224 10.9428 11.8128 11.8259 12.5843 12.6367 12.9040 12.9113 k =-0.2574 0.2183 0.6557 ( 4528 PWs) bands (ev): -22.3131 -22.3131 -13.8484 -13.8481 -11.7718 -11.7597 -11.7440 -11.7399 -11.7066 -11.6915 -6.0320 -5.9980 -5.7835 -5.7638 -5.7358 -5.7193 -2.5562 -2.5556 0.5607 0.5865 0.9041 0.9178 1.0849 1.1055 2.0023 2.0064 2.5723 2.6082 2.6096 2.6614 2.8822 2.9001 2.9759 2.9913 3.2871 3.2892 3.6328 3.7074 4.0604 4.0854 4.2325 4.2343 4.3633 4.4518 4.5361 4.5737 4.7213 4.7741 4.8753 4.9345 5.0305 5.0627 5.1514 5.2204 5.5449 5.5679 6.0492 6.1347 6.3177 6.3467 10.6366 10.6374 10.7226 10.7448 10.9207 10.9428 11.8085 11.8201 12.5756 12.6271 12.8480 12.8563 k =-0.2702 0.2292 0.6557 ( 4524 PWs) bands (ev): -22.3131 -22.3131 -13.8473 -13.8469 -11.7722 -11.7584 -11.7439 -11.7421 -11.7086 -11.6941 -6.0306 -5.9974 -5.7817 -5.7630 -5.7352 -5.7185 -2.5644 -2.5640 0.5925 0.6202 0.9145 0.9288 1.0966 1.1184 1.9894 1.9929 2.5857 2.6159 2.6214 2.6663 2.8615 2.8803 2.9560 2.9705 3.2555 3.2568 3.6396 3.7199 4.0737 4.0909 4.2240 4.2349 4.3724 4.4433 4.5231 4.5707 4.7096 4.7450 4.8791 4.9227 5.0310 5.0509 5.1591 5.2252 5.5536 5.5760 6.0224 6.1127 6.3578 6.3839 10.6536 10.6545 10.7217 10.7428 10.9193 10.9427 11.8086 11.8190 12.5646 12.6150 12.7927 12.8018 k =-0.2831 0.2401 0.6557 ( 4518 PWs) bands (ev): -22.3131 -22.3131 -13.8461 -13.8457 -11.7729 -11.7573 -11.7441 -11.7436 -11.7106 -11.6967 -6.0290 -5.9968 -5.7796 -5.7623 -5.7346 -5.7178 -2.5727 -2.5723 0.6245 0.6541 0.9250 0.9399 1.1080 1.1310 1.9768 1.9797 2.5971 2.6244 2.6327 2.6728 2.8413 2.8612 2.9365 2.9503 3.2214 3.2259 3.6468 3.7327 4.0858 4.0941 4.2154 4.2361 4.3818 4.4359 4.5117 4.5683 4.6908 4.7210 4.8816 4.9095 5.0341 5.0423 5.1682 5.2299 5.5618 5.5837 5.9949 6.0896 6.3971 6.4205 10.6712 10.6721 10.7188 10.7386 10.9179 10.9424 11.8128 11.8223 12.5513 12.6005 12.7382 12.7480 k =-0.2960 0.2511 0.6557 ( 4510 PWs) bands (ev): -22.3130 -22.3130 -13.8449 -13.8445 -11.7737 -11.7567 -11.7457 -11.7430 -11.7126 -11.6994 -6.0272 -5.9963 -5.7773 -5.7614 -5.7341 -5.7173 -2.5808 -2.5805 0.6565 0.6881 0.9355 0.9511 1.1190 1.1430 1.9644 1.9669 2.6060 2.6352 2.6414 2.6812 2.8218 2.8429 2.9178 2.9310 3.1873 3.1947 3.6543 3.7456 4.0952 4.0968 4.2070 4.2378 4.3905 4.4298 4.5029 4.5664 4.6644 4.7034 4.8816 4.8948 5.0375 5.0408 5.1785 5.2343 5.5695 5.5908 5.9666 6.0656 6.4354 6.4562 10.6892 10.6896 10.7147 10.7327 10.9166 10.9419 11.8208 11.8297 12.5359 12.5838 12.6847 12.6950 k =-0.3088 0.2620 0.6557 ( 4506 PWs) bands (ev): -22.3130 -22.3130 -13.8437 -13.8433 -11.7746 -11.7566 -11.7468 -11.7423 -11.7145 -11.7021 -6.0254 -5.9958 -5.7749 -5.7605 -5.7336 -5.7168 -2.5888 -2.5886 0.6884 0.7219 0.9460 0.9622 1.1294 1.1545 1.9524 1.9544 2.6130 2.6473 2.6475 2.6914 2.8032 2.8257 2.9001 2.9126 3.1533 3.1634 3.6621 3.7585 4.0943 4.1064 4.1989 4.2402 4.3975 4.4248 4.4971 4.5647 4.6351 4.6880 4.8786 4.8786 5.0367 5.0512 5.1896 5.2384 5.5766 5.5975 5.9376 6.0408 6.4725 6.4910 10.7014 10.7068 10.7152 10.7261 10.9155 10.9412 11.8322 11.8407 12.5185 12.5649 12.6322 12.6429 k =-0.3217 0.2729 0.6557 ( 4514 PWs) bands (ev): -22.3129 -22.3129 -13.8426 -13.8422 -11.7755 -11.7574 -11.7471 -11.7414 -11.7163 -11.7048 -6.0235 -5.9955 -5.7724 -5.7595 -5.7332 -5.7165 -2.5966 -2.5965 0.7199 0.7553 0.9565 0.9732 1.1391 1.1653 1.9408 1.9424 2.6188 2.6509 2.6603 2.7027 2.7859 2.8096 2.8837 2.8954 3.1197 3.1322 3.6701 3.7713 4.0917 4.1147 4.1913 4.2430 4.4021 4.4211 4.4942 4.5634 4.6055 4.6728 4.8612 4.8728 5.0398 5.0648 5.2013 5.2422 5.5831 5.6036 5.9080 6.0153 6.5083 6.5246 10.6972 10.7129 10.7301 10.7309 10.9146 10.9403 11.8465 11.8550 12.4994 12.5441 12.5811 12.5918 k =-0.3346 0.2838 0.6557 ( 4518 PWs) bands (ev): -22.3129 -22.3129 -13.8414 -13.8411 -11.7765 -11.7587 -11.7468 -11.7405 -11.7179 -11.7075 -6.0215 -5.9951 -5.7699 -5.7585 -5.7328 -5.7163 -2.6042 -2.6041 0.7509 0.7882 0.9668 0.9841 1.1480 1.1752 1.9297 1.9310 2.6237 2.6525 2.6726 2.7142 2.7700 2.7948 2.8687 2.8795 3.0868 3.1015 3.6783 3.7838 4.0878 4.1217 4.1845 4.2463 4.4044 4.4185 4.4938 4.5625 4.5765 4.6573 4.8430 4.8648 5.0466 5.0808 5.2137 5.2457 5.5891 5.6093 5.8781 5.9892 6.5425 6.5567 10.6892 10.7045 10.7480 10.7499 10.9140 10.9394 11.8634 11.8720 12.4787 12.5204 12.5329 12.5421 k =-0.3475 0.2947 0.6557 ( 4512 PWs) bands (ev): -22.3129 -22.3129 -13.8403 -13.8400 -11.7774 -11.7605 -11.7462 -11.7396 -11.7195 -11.7102 -6.0195 -5.9949 -5.7672 -5.7574 -5.7324 -5.7162 -2.6114 -2.6114 0.7811 0.8202 0.9769 0.9948 1.1562 1.1842 1.9191 1.9201 2.6278 2.6525 2.6837 2.7255 2.7564 2.7814 2.8555 2.8651 3.0548 3.0715 3.6867 3.7956 4.0832 4.1275 4.1786 4.2498 4.4052 4.4171 4.4948 4.5488 4.5620 4.6414 4.8247 4.8554 5.0568 5.0982 5.2268 5.2489 5.5945 5.6146 5.8479 5.9626 6.5750 6.5874 10.6803 10.6944 10.7672 10.7693 10.9138 10.9385 11.8822 11.8913 12.4568 12.4812 12.4939 12.5005 k =-0.3475 0.2947 0.6557 ( 4512 PWs) bands (ev): -22.3129 -22.3129 -13.8403 -13.8400 -11.7774 -11.7605 -11.7462 -11.7396 -11.7195 -11.7102 -6.0195 -5.9949 -5.7672 -5.7574 -5.7324 -5.7162 -2.6114 -2.6114 0.7811 0.8202 0.9769 0.9948 1.1562 1.1842 1.9191 1.9201 2.6278 2.6525 2.6837 2.7255 2.7564 2.7814 2.8555 2.8651 3.0548 3.0715 3.6867 3.7956 4.0832 4.1275 4.1786 4.2498 4.4052 4.4171 4.4948 4.5488 4.5620 4.6414 4.8247 4.8554 5.0568 5.0982 5.2268 5.2489 5.5945 5.6146 5.8479 5.9626 6.5750 6.5874 10.6803 10.6944 10.7672 10.7693 10.9138 10.9385 11.8822 11.8913 12.4568 12.4812 12.4939 12.5005 k =-0.3559 0.3019 0.6445 ( 4516 PWs) bands (ev): -22.3128 -22.3128 -13.8397 -13.8394 -11.7780 -11.7616 -11.7458 -11.7389 -11.7204 -11.7119 -6.0182 -5.9948 -5.7655 -5.7567 -5.7322 -5.7162 -2.6159 -2.6159 0.8001 0.8402 0.9833 1.0015 1.1609 1.1894 1.9126 1.9135 2.6294 2.6516 2.6901 2.7327 2.7484 2.7736 2.8477 2.8563 3.0356 3.0537 3.6919 3.8031 4.0800 4.1289 4.1775 4.2523 4.4050 4.4163 4.4954 4.5319 4.5618 4.6309 4.8130 4.8490 5.0651 5.1102 5.2354 5.2509 5.5959 5.6167 5.8295 5.9461 6.5948 6.6061 10.6733 10.6863 10.7781 10.7827 10.9144 10.9385 11.8961 11.9056 12.4424 12.4520 12.4642 12.4845 k =-0.3644 0.3091 0.6334 ( 4516 PWs) bands (ev): -22.3128 -22.3128 -13.8391 -13.8388 -11.7784 -11.7628 -11.7453 -11.7381 -11.7213 -11.7136 -6.0170 -5.9947 -5.7639 -5.7562 -5.7321 -5.7161 -2.6200 -2.6199 0.8178 0.8588 0.9892 1.0075 1.1649 1.1937 1.9067 1.9076 2.6299 2.6501 2.6950 2.7394 2.7407 2.7677 2.8404 2.8479 3.0191 3.0392 3.6965 3.8103 4.0771 4.1259 4.1815 4.2550 4.4046 4.4150 4.4936 4.5189 4.5618 4.6206 4.8023 4.8432 5.0743 5.1226 5.2425 5.2540 5.5936 5.6164 5.8147 5.9320 6.6126 6.6228 10.6657 10.6773 10.7871 10.7940 10.9161 10.9394 11.9112 11.9212 12.4250 12.4286 12.4381 12.4694 k =-0.3729 0.3163 0.6223 ( 4515 PWs) bands (ev): -22.3128 -22.3128 -13.8386 -13.8383 -11.7789 -11.7638 -11.7448 -11.7372 -11.7221 -11.7152 -6.0159 -5.9947 -5.7623 -5.7557 -5.7322 -5.7160 -2.6237 -2.6235 0.8338 0.8755 0.9946 1.0127 1.1682 1.1971 1.9015 1.9024 2.6297 2.6484 2.6973 2.7319 2.7465 2.7651 2.8338 2.8401 3.0055 3.0275 3.7003 3.8172 4.0747 4.1198 4.1890 4.2577 4.4042 4.4132 4.4848 4.5144 4.5618 4.6105 4.7927 4.8378 5.0839 5.1350 5.2455 5.2605 5.5877 5.6136 5.8037 5.9206 6.6282 6.6375 10.6586 10.6686 10.7943 10.8028 10.9183 10.9406 11.9266 11.9373 12.4008 12.4140 12.4175 12.4549 k =-0.3814 0.3235 0.6112 ( 4515 PWs) bands (ev): -22.3128 -22.3128 -13.8382 -13.8379 -11.7792 -11.7646 -11.7443 -11.7362 -11.7229 -11.7167 -6.0149 -5.9947 -5.7608 -5.7554 -5.7324 -5.7159 -2.6268 -2.6266 0.8480 0.8902 0.9994 1.0171 1.1709 1.1997 1.8970 1.8980 2.6291 2.6466 2.6969 2.7237 2.7524 2.7661 2.8277 2.8330 2.9946 3.0182 3.7034 3.8236 4.0730 4.1126 4.1980 4.2605 4.4043 4.4110 4.4714 4.5161 4.5617 4.6008 4.7844 4.8330 5.0933 5.1472 5.2451 5.2696 5.5791 5.6090 5.7961 5.9116 6.6416 6.6500 10.6522 10.6607 10.7997 10.8094 10.9205 10.9420 11.9414 11.9532 12.3795 12.3960 12.4055 12.4412 k =-0.3898 0.3307 0.6001 ( 4509 PWs) bands (ev): -22.3128 -22.3128 -13.8378 -13.8376 -11.7795 -11.7654 -11.7439 -11.7352 -11.7235 -11.7181 -6.0140 -5.9947 -5.7595 -5.7551 -5.7326 -5.7158 -2.6294 -2.6291 0.8601 0.9024 1.0037 1.0207 1.1731 1.2017 1.8933 1.8943 2.6283 2.6450 2.6946 2.7157 2.7581 2.7692 2.8223 2.8266 2.9862 3.0111 3.7060 3.8293 4.0720 4.1051 4.2071 4.2631 4.4048 4.4086 4.4576 4.5199 4.5617 4.5916 4.7776 4.8290 5.1021 5.1590 5.2428 5.2792 5.5689 5.6033 5.7914 5.9050 6.6527 6.6603 10.6469 10.6539 10.8038 10.8144 10.9226 10.9432 11.9549 11.9680 12.3616 12.3808 12.3960 12.4286 k =-0.3983 0.3379 0.5890 ( 4508 PWs) bands (ev): -22.3128 -22.3128 -13.8376 -13.8373 -11.7797 -11.7660 -11.7436 -11.7343 -11.7240 -11.7193 -6.0133 -5.9948 -5.7583 -5.7550 -5.7328 -5.7157 -2.6314 -2.6312 0.8697 0.9122 1.0074 1.0235 1.1747 1.2030 1.8904 1.8914 2.6275 2.6436 2.6917 2.7086 2.7637 2.7728 2.8176 2.8211 2.9800 3.0059 3.7079 3.8340 4.0719 4.0982 4.2154 4.2655 4.4060 4.4062 4.4450 4.5245 4.5618 4.5830 4.7723 4.8258 5.1095 5.1702 5.2393 5.2882 5.5586 5.5975 5.7888 5.9003 6.6613 6.6684 10.6428 10.6484 10.8068 10.8180 10.9244 10.9441 11.9663 11.9807 12.3474 12.3691 12.3887 12.4174 k =-0.4068 0.3450 0.5779 ( 4501 PWs) bands (ev): -22.3128 -22.3128 -13.8374 -13.8371 -11.7799 -11.7664 -11.7434 -11.7335 -11.7245 -11.7202 -6.0128 -5.9949 -5.7573 -5.7551 -5.7330 -5.7156 -2.6329 -2.6326 0.8768 0.9192 1.0103 1.0253 1.1759 1.2038 1.8883 1.8893 2.6269 2.6425 2.6894 2.7029 2.7688 2.7757 2.8141 2.8167 2.9757 3.0023 3.7093 3.8376 4.0727 4.0921 4.2220 4.2674 4.4041 4.4080 4.4343 4.5291 4.5620 4.5754 4.7685 4.8234 5.1152 5.1801 5.2351 5.2957 5.5497 5.5925 5.7875 5.8972 6.6676 6.6742 10.6399 10.6443 10.8089 10.8204 10.9257 10.9448 11.9749 11.9906 12.3370 12.3607 12.3839 12.4084 k =-0.4153 0.3522 0.5667 ( 4504 PWs) bands (ev): -22.3128 -22.3128 -13.8373 -13.8370 -11.7799 -11.7667 -11.7432 -11.7329 -11.7248 -11.7209 -6.0125 -5.9949 -5.7565 -5.7553 -5.7332 -5.7156 -2.6338 -2.6335 0.8811 0.9234 1.0122 1.0263 1.1766 1.2043 1.8870 1.8881 2.6264 2.6418 2.6880 2.6991 2.7730 2.7771 2.8119 2.8135 2.9733 3.0002 3.7101 3.8398 4.0739 4.0875 4.2263 4.2687 4.4026 4.4106 4.4262 4.5328 4.5627 4.5693 4.7662 4.8220 5.1187 5.1875 5.2311 5.3007 5.5437 5.5891 5.7869 5.8955 6.6714 6.6777 10.6383 10.6417 10.8101 10.8218 10.9264 10.9451 11.9803 11.9968 12.3307 12.3557 12.3814 12.4022 k =-0.4237 0.3594 0.5556 ( 4504 PWs) bands (ev): -22.3128 -22.3128 -13.8372 -13.8370 -11.7800 -11.7668 -11.7432 -11.7327 -11.7249 -11.7211 -6.0124 -5.9949 -5.7561 -5.7555 -5.7332 -5.7155 -2.6341 -2.6338 0.8826 0.9248 1.0128 1.0266 1.1768 1.2044 1.8866 1.8877 2.6262 2.6415 2.6875 2.6978 2.7750 2.7772 2.8114 2.8120 2.9725 2.9996 3.7104 3.8405 4.0746 4.0856 4.2278 4.2692 4.4020 4.4125 4.4225 4.5344 4.5637 4.5662 4.7654 4.8215 5.1199 5.1905 5.2293 5.3025 5.5415 5.5880 5.7867 5.8950 6.6726 6.6788 10.6378 10.6408 10.8105 10.8222 10.9267 10.9453 11.9821 11.9990 12.3285 12.3540 12.3807 12.4000 k =-0.4237 0.3594 0.5556 ( 4504 PWs) bands (ev): -22.3128 -22.3128 -13.8372 -13.8370 -11.7800 -11.7668 -11.7432 -11.7327 -11.7249 -11.7211 -6.0124 -5.9949 -5.7561 -5.7555 -5.7332 -5.7155 -2.6341 -2.6338 0.8826 0.9248 1.0128 1.0266 1.1768 1.2044 1.8866 1.8877 2.6262 2.6415 2.6875 2.6978 2.7750 2.7772 2.8114 2.8120 2.9725 2.9996 3.7104 3.8405 4.0746 4.0856 4.2278 4.2692 4.4020 4.4125 4.4225 4.5344 4.5637 4.5662 4.7654 4.8215 5.1199 5.1905 5.2293 5.3025 5.5415 5.5880 5.7867 5.8950 6.6726 6.6788 10.6378 10.6408 10.8105 10.8222 10.9267 10.9453 11.9821 11.9990 12.3285 12.3540 12.3807 12.4000 k =-0.4145 0.3516 0.5436 ( 4508 PWs) bands (ev): -22.3128 -22.3128 -13.8383 -13.8380 -11.7793 -11.7647 -11.7434 -11.7324 -11.7244 -11.7195 -6.0144 -5.9950 -5.7579 -5.7572 -5.7344 -5.7149 -2.6285 -2.6281 0.8592 0.9011 1.0023 1.0162 1.1715 1.1986 1.8946 1.8961 2.6225 2.6438 2.6885 2.6956 2.7797 2.7802 2.8096 2.8121 3.0052 3.0341 3.6989 3.8369 4.0732 4.0850 4.2333 4.2788 4.3962 4.4144 4.4249 4.5435 4.5650 4.5812 4.7802 4.8341 5.1037 5.1811 5.2219 5.2923 5.5238 5.5732 5.8215 5.9285 6.6473 6.6546 10.6350 10.6352 10.7868 10.8039 10.9309 10.9507 11.9707 11.9859 12.3706 12.3928 12.4131 12.4261 k =-0.4053 0.3438 0.5315 ( 4510 PWs) bands (ev): -22.3128 -22.3128 -13.8394 -13.8391 -11.7785 -11.7624 -11.7436 -11.7321 -11.7237 -11.7177 -6.0165 -5.9953 -5.7599 -5.7590 -5.7357 -5.7143 -2.6224 -2.6220 0.8349 0.8759 0.9916 1.0053 1.1650 1.1913 1.9034 1.9054 2.6160 2.6432 2.6905 2.6951 2.7842 2.7851 2.8083 2.8134 3.0409 3.0717 3.6872 3.8306 4.0745 4.0857 4.2374 4.2874 4.3888 4.4205 4.4288 4.5522 4.5649 4.5961 4.7970 4.8469 5.0892 5.1719 5.2143 5.2824 5.5043 5.5573 5.8567 5.9620 6.6198 6.6282 10.6181 10.6221 10.7690 10.7922 10.9369 10.9577 11.9627 11.9761 12.4159 12.4256 12.4529 12.4552 k =-0.3961 0.3360 0.5194 ( 4514 PWs) bands (ev): -22.3129 -22.3129 -13.8407 -13.8404 -11.7776 -11.7601 -11.7437 -11.7318 -11.7229 -11.7159 -6.0186 -5.9956 -5.7619 -5.7610 -5.7369 -5.7138 -2.6160 -2.6155 0.8100 0.8496 0.9806 0.9938 1.1574 1.1827 1.9128 1.9153 2.6069 2.6389 2.6932 2.6967 2.7889 2.7917 2.8076 2.8164 3.0790 3.1117 3.6754 3.8220 4.0783 4.0877 4.2403 4.2951 4.3807 4.4297 4.4339 4.5559 4.5683 4.6108 4.8154 4.8597 5.0764 5.1630 5.2066 5.2728 5.4833 5.5405 5.8918 5.9953 6.5903 6.5999 10.5874 10.5941 10.7613 10.7895 10.9449 10.9666 11.9584 11.9698 12.4556 12.4634 12.4813 12.5041 k =-0.3869 0.3282 0.5073 ( 4514 PWs) bands (ev): -22.3129 -22.3129 -13.8421 -13.8418 -11.7765 -11.7578 -11.7437 -11.7315 -11.7220 -11.7139 -6.0208 -5.9961 -5.7640 -5.7630 -5.7382 -5.7134 -2.6093 -2.6088 0.7849 0.8228 0.9691 0.9818 1.1486 1.1727 1.9229 1.9260 2.5960 2.6313 2.6965 2.7002 2.7935 2.7999 2.8074 2.8221 3.1192 3.1535 3.6634 3.8114 4.0845 4.0910 4.2422 4.3017 4.3723 4.4403 4.4414 4.5533 4.5775 4.6251 4.8347 4.8723 5.0652 5.1548 5.1989 5.2635 5.4608 5.5230 5.9265 6.0280 6.5590 6.5700 10.5439 10.5514 10.7634 10.7947 10.9552 10.9775 11.9579 11.9670 12.4856 12.5048 12.5197 12.5566 k =-0.3777 0.3204 0.4952 ( 4518 PWs) bands (ev): -22.3129 -22.3129 -13.8437 -13.8433 -11.7753 -11.7553 -11.7437 -11.7312 -11.7210 -11.7118 -6.0230 -5.9967 -5.7661 -5.7650 -5.7395 -5.7132 -2.6024 -2.6019 0.7597 0.7958 0.9572 0.9692 1.1387 1.1615 1.9335 1.9372 2.5836 2.6212 2.7001 2.7047 2.7975 2.8073 2.8104 2.8308 3.1609 3.1967 3.6515 3.7989 4.0928 4.0952 4.2434 4.3073 4.3636 4.4477 4.4549 4.5488 4.5884 4.6387 4.8544 4.8845 5.0556 5.1476 5.1913 5.2545 5.4370 5.5049 5.9604 6.0598 6.5261 6.5387 10.4901 10.4974 10.7719 10.8055 10.9678 10.9907 11.9611 11.9676 12.5166 12.5360 12.5718 12.6117 k =-0.3685 0.3125 0.4832 ( 4522 PWs) bands (ev): -22.3130 -22.3130 -13.8453 -13.8450 -11.7740 -11.7528 -11.7436 -11.7308 -11.7198 -11.7096 -6.0252 -5.9974 -5.7683 -5.7671 -5.7409 -5.7130 -2.5955 -2.5949 0.7348 0.7688 0.9449 0.9562 1.1277 1.1491 1.9446 1.9489 2.5703 2.6095 2.7037 2.7097 2.8009 2.8081 2.8226 2.8426 3.2037 3.2407 3.6396 3.7852 4.1004 4.1027 4.2442 4.3120 4.3547 4.4561 4.4702 4.5440 4.5999 4.6514 4.8740 4.8960 5.0472 5.1415 5.1841 5.2461 5.4118 5.4866 5.9932 6.0907 6.4920 6.5063 10.4278 10.4347 10.7844 10.8201 10.9828 11.0061 11.9677 11.9716 12.5492 12.5672 12.6276 12.6689 k =-0.3592 0.3047 0.4711 ( 4534 PWs) bands (ev): -22.3131 -22.3131 -13.8471 -13.8467 -11.7725 -11.7502 -11.7434 -11.7304 -11.7185 -11.7073 -6.0274 -5.9982 -5.7705 -5.7693 -5.7423 -5.7129 -2.5884 -2.5878 0.7102 0.7422 0.9322 0.9428 1.1156 1.1356 1.9562 1.9612 2.5565 2.5966 2.7073 2.7149 2.8042 2.8091 2.8369 2.8568 3.2472 3.2850 3.6277 3.7703 4.1062 4.1139 4.2449 4.3157 4.3456 4.4651 4.4866 4.5396 4.6120 4.6630 4.8930 4.9067 5.0399 5.1363 5.1777 5.2383 5.3855 5.4682 6.0247 6.1202 6.4568 6.4731 10.3585 10.3649 10.7996 10.8372 11.0002 11.0239 11.9776 11.9787 12.5835 12.6000 12.6855 12.7280 k =-0.3500 0.2969 0.4590 ( 4526 PWs) bands (ev): -22.3131 -22.3131 -13.8490 -13.8486 -11.7709 -11.7477 -11.7431 -11.7298 -11.7170 -11.7050 -6.0296 -5.9990 -5.7727 -5.7714 -5.7437 -5.7129 -2.5815 -2.5808 0.6863 0.7161 0.9191 0.9290 1.1026 1.1210 1.9682 1.9739 2.5426 2.5831 2.7110 2.7201 2.8076 2.8104 2.8532 2.8730 3.2909 3.3290 3.6162 3.7548 4.1126 4.1262 4.2456 4.3187 4.3366 4.4748 4.5042 4.5363 4.6244 4.6732 4.9110 4.9164 5.0335 5.1321 5.1726 5.2315 5.3580 5.4501 6.0546 6.1483 6.4210 6.4395 10.2832 10.2891 10.8168 10.8564 11.0202 11.0442 11.9885 11.9903 12.6199 12.6346 12.7452 12.7887 k =-0.3408 0.2891 0.4469 ( 4526 PWs) bands (ev): -22.3132 -22.3132 -13.8510 -13.8506 -11.7692 -11.7452 -11.7426 -11.7292 -11.7153 -11.7026 -6.0317 -5.9999 -5.7748 -5.7735 -5.7451 -5.7131 -2.5747 -2.5740 0.6631 0.6907 0.9057 0.9149 1.0885 1.1054 1.9806 1.9868 2.5287 2.5693 2.7147 2.7253 2.8114 2.8120 2.8713 2.8910 3.3343 3.3718 3.6054 3.7389 4.1193 4.1392 4.2466 4.3208 4.3275 4.4849 4.5227 4.5345 4.6373 4.6817 4.9251 4.9277 5.0275 5.1284 5.1691 5.2259 5.3295 5.4325 6.0827 6.1747 6.3849 6.4057 10.2025 10.2080 10.8356 10.8773 11.0427 11.0669 12.0005 12.0054 12.6587 12.6715 12.8065 12.8507 k =-0.3316 0.2813 0.4348 ( 4530 PWs) bands (ev): -22.3132 -22.3132 -13.8531 -13.8527 -11.7675 -11.7432 -11.7416 -11.7285 -11.7136 -11.7002 -6.0338 -6.0009 -5.7769 -5.7756 -5.7465 -5.7133 -2.5681 -2.5673 0.6408 0.6661 0.8921 0.9006 1.0736 1.0889 1.9933 2.0001 2.5153 2.5555 2.7185 2.7308 2.8140 2.8156 2.8908 2.9102 3.3770 3.4127 3.5959 3.7230 4.1260 4.1527 4.2481 4.3184 4.3220 4.4955 4.5344 4.5419 4.6504 4.6882 4.9330 4.9426 5.0218 5.1247 5.1676 5.2221 5.3000 5.4159 6.1088 6.1992 6.3487 6.3720 10.1170 10.1222 10.8558 10.8997 11.0678 11.0922 12.0145 12.0223 12.7001 12.7108 12.8691 12.9139 k =-0.3224 0.2735 0.4228 ( 4530 PWs) bands (ev): -22.3133 -22.3133 -13.8553 -13.8550 -11.7656 -11.7423 -11.7394 -11.7276 -11.7116 -11.6978 -6.0359 -6.0019 -5.7790 -5.7776 -5.7480 -5.7136 -2.5618 -2.5610 0.6196 0.6426 0.8784 0.8861 1.0579 1.0716 2.0062 2.0134 2.5026 2.5419 2.7225 2.7364 2.8163 2.8203 2.9115 2.9305 3.4184 3.4498 3.5890 3.7075 4.1325 4.1662 4.2501 4.3095 4.3226 4.5065 4.5362 4.5616 4.6637 4.6923 4.9402 4.9557 5.0164 5.1206 5.1684 5.2202 5.2697 5.4004 6.1325 6.2217 6.3128 6.3388 10.0273 10.0323 10.8775 10.9234 11.0954 11.1200 12.0298 12.0406 12.7442 12.7529 12.9328 12.9782 k =-0.3132 0.2657 0.4107 ( 4538 PWs) bands (ev): -22.3133 -22.3133 -13.8577 -13.8573 -11.7636 -11.7416 -11.7369 -11.7267 -11.7095 -11.6953 -6.0379 -6.0029 -5.7810 -5.7796 -5.7494 -5.7141 -2.5558 -2.5550 0.5995 0.6202 0.8645 0.8714 1.0414 1.0535 2.0193 2.0267 2.4909 2.5288 2.7266 2.7424 2.8190 2.8256 2.9332 2.9515 3.4580 3.4801 3.5874 3.6927 4.1387 4.1793 4.2532 4.3008 4.3227 4.5179 4.5398 4.5815 4.6772 4.6939 4.9470 4.9668 5.0112 5.1158 5.1713 5.2202 5.2390 5.3867 6.1536 6.2419 6.2778 6.3064 9.9339 9.9388 10.9005 10.9485 11.1255 11.1503 12.0461 12.0598 12.7914 12.7979 12.9976 13.0433 k =-0.3040 0.2578 0.3986 ( 4534 PWs) bands (ev): -22.3134 -22.3134 -13.8601 -13.8598 -11.7616 -11.7408 -11.7343 -11.7256 -11.7073 -11.6928 -6.0398 -6.0040 -5.7829 -5.7815 -5.7508 -5.7146 -2.5503 -2.5495 0.5806 0.5989 0.8506 0.8567 1.0242 1.0347 2.0325 2.0399 2.4804 2.5165 2.7311 2.7487 2.8220 2.8315 2.9554 2.9730 3.4949 3.4990 3.5955 3.6793 4.1445 4.1914 4.2578 4.2925 4.3224 4.5301 4.5450 4.6018 4.6908 4.6927 4.9538 4.9757 5.0067 5.1103 5.1744 5.2096 5.2218 5.3752 6.1711 6.2447 6.2589 6.2759 9.8373 9.8420 10.9249 10.9749 11.1582 11.1831 12.0629 12.0793 12.8417 12.8461 13.0631 13.1091 k =-0.2948 0.2500 0.3865 ( 4532 PWs) bands (ev): -22.3135 -22.3135 -13.8627 -13.8623 -11.7595 -11.7400 -11.7318 -11.7244 -11.7050 -11.6904 -6.0416 -6.0051 -5.7848 -5.7833 -5.7522 -5.7153 -2.5453 -2.5445 0.5631 0.5790 0.8367 0.8420 1.0065 1.0154 2.0456 2.0527 2.4715 2.5052 2.7358 2.7555 2.8254 2.8379 2.9779 2.9946 3.5053 3.5280 3.6141 3.6683 4.1498 4.2016 4.2643 4.2848 4.3219 4.5430 4.5513 4.6220 4.6886 4.7044 4.9609 4.9820 5.0039 5.1044 5.1644 5.1949 5.2244 5.3663 6.1802 6.2184 6.2437 6.2765 9.7379 9.7426 10.9506 11.0026 11.1934 11.2184 12.0799 12.0988 12.8953 12.8976 13.1292 13.1753 k =-0.2856 0.2422 0.3744 ( 4534 PWs) bands (ev): -22.3135 -22.3135 -13.8653 -13.8650 -11.7574 -11.7392 -11.7292 -11.7230 -11.7025 -11.6879 -6.0434 -6.0062 -5.7865 -5.7850 -5.7536 -5.7160 -2.5409 -2.5400 0.5470 0.5603 0.8229 0.8273 0.9882 0.9955 2.0585 2.0649 2.4644 2.4951 2.7407 2.7627 2.8292 2.8450 3.0003 3.0158 3.5039 3.5552 3.6381 3.6616 4.1547 4.2096 4.2715 4.2793 4.3215 4.5565 4.5586 4.6418 4.6818 4.7179 4.9684 4.9846 5.0047 5.0982 5.1353 5.2003 5.2273 5.3604 6.1653 6.2147 6.2153 6.2891 9.6360 9.6407 10.9778 11.0317 11.2310 11.2561 12.0967 12.1179 12.9521 12.9525 13.1959 13.2419 k =-0.2763 0.2344 0.3624 ( 4530 PWs) bands (ev): -22.3136 -22.3136 -13.8680 -13.8677 -11.7552 -11.7382 -11.7267 -11.7216 -11.7000 -11.6854 -6.0450 -6.0073 -5.7882 -5.7866 -5.7550 -5.7169 -2.5371 -2.5361 0.5323 0.5431 0.8093 0.8127 0.9695 0.9753 2.0709 2.0762 2.4595 2.4865 2.7461 2.7704 2.8333 2.8526 3.0222 3.0364 3.4996 3.5736 3.6620 3.6625 4.1592 4.2153 4.2687 4.2868 4.3213 4.5659 4.5710 4.6598 4.6739 4.7313 4.9765 4.9840 5.0094 5.0922 5.1029 5.2101 5.2303 5.3577 6.1376 6.1883 6.2226 6.2994 9.5321 9.5370 11.0064 11.0621 11.2711 11.2963 12.1130 12.1362 13.0108 13.0122 13.2628 13.3087 k =-0.2671 0.2266 0.3503 ( 4538 PWs) bands (ev): -22.3137 -22.3137 -13.8708 -13.8705 -11.7529 -11.7371 -11.7242 -11.7200 -11.6974 -11.6830 -6.0465 -6.0084 -5.7897 -5.7880 -5.7563 -5.7178 -2.5339 -2.5329 0.5190 0.5273 0.7960 0.7983 0.9505 0.9546 2.0828 2.0864 2.4570 2.4796 2.7517 2.7786 2.8376 2.8608 3.0430 3.0558 3.4948 3.5818 3.6707 3.6846 4.1635 4.2191 4.2626 4.3000 4.3215 4.5735 4.5855 4.6583 4.6828 4.7444 4.9823 4.9852 5.0163 5.0704 5.0865 5.2210 5.2331 5.3581 6.1090 6.1630 6.2301 6.3071 9.4265 9.4316 11.0364 11.0937 11.3137 11.3390 12.1286 12.1535 13.0725 13.0755 13.3297 13.3754 k =-0.2579 0.2188 0.3382 ( 4534 PWs) bands (ev): -22.3137 -22.3137 -13.8737 -13.8734 -11.7507 -11.7359 -11.7217 -11.7184 -11.6947 -11.6806 -6.0479 -6.0094 -5.7911 -5.7893 -5.7576 -5.7188 -2.5315 -2.5304 0.5073 0.5129 0.7829 0.7841 0.9312 0.9338 2.0937 2.0953 2.4573 2.4748 2.7577 2.7874 2.8423 2.8695 3.0623 3.0735 3.4908 3.5832 3.6842 3.7031 4.1678 4.2217 4.2568 4.3146 4.3223 4.5809 4.5999 4.6458 4.7005 4.7575 4.9807 4.9944 5.0242 5.0397 5.0815 5.2323 5.2361 5.3612 6.0816 6.1397 6.2355 6.3120 9.3196 9.3249 11.0678 11.1267 11.3587 11.3841 12.1435 12.1697 13.1375 13.1419 13.3967 13.4418 k =-0.2487 0.2110 0.3261 ( 4524 PWs) bands (ev): -22.3138 -22.3138 -13.8766 -13.8763 -11.7483 -11.7347 -11.7192 -11.7166 -11.6920 -11.6782 -6.0491 -6.0105 -5.7924 -5.7905 -5.7588 -5.7200 -2.5297 -2.5286 0.4972 0.5000 0.7701 0.7701 0.9118 0.9129 2.1026 2.1036 2.4606 2.4724 2.7641 2.7966 2.8473 2.8788 3.0796 3.0891 3.4886 3.5824 3.6980 3.7172 4.1724 4.2234 4.2513 4.3237 4.3300 4.5879 4.6134 4.6321 4.7176 4.7705 4.9788 5.0041 5.0081 5.0372 5.0772 5.2399 5.2438 5.3665 6.0558 6.1183 6.2382 6.3142 9.2118 9.2173 11.1006 11.1608 11.4061 11.4316 12.1574 12.1847 13.2056 13.2112 13.4633 13.5079 k =-0.2395 0.2032 0.3141 ( 4528 PWs) bands (ev): -22.3139 -22.3139 -13.8795 -13.8793 -11.7460 -11.7334 -11.7167 -11.7147 -11.6893 -11.6758 -6.0503 -6.0115 -5.7936 -5.7915 -5.7600 -5.7212 -2.5287 -2.5276 0.4885 0.4885 0.7564 0.7577 0.8920 0.8923 2.1082 2.1120 2.4670 2.4726 2.7708 2.8064 2.8525 2.8886 3.0944 3.1021 3.4884 3.5821 3.7092 3.7264 4.1773 4.2242 4.2462 4.3256 4.3456 4.5941 4.6189 4.6256 4.7336 4.7834 4.9701 4.9889 5.0140 5.0494 5.0737 5.2446 5.2550 5.3733 6.0318 6.0989 6.2383 6.3137 9.1032 9.1091 11.1347 11.1961 11.4560 11.4815 12.1705 12.1984 13.2766 13.2832 13.5294 13.5732 k =-0.2303 0.1953 0.3020 ( 4528 PWs) bands (ev): -22.3140 -22.3140 -13.8825 -13.8823 -11.7437 -11.7320 -11.7143 -11.7128 -11.6865 -11.6735 -6.0513 -6.0125 -5.7946 -5.7924 -5.7611 -5.7225 -2.5283 -2.5272 0.4784 0.4815 0.7429 0.7458 0.8711 0.8729 2.1120 2.1189 2.4755 2.4765 2.7777 2.8166 2.8580 2.8988 3.1062 3.1120 3.4909 3.5837 3.7165 3.7307 4.1828 4.2231 4.2423 4.3280 4.3609 4.5992 4.6072 4.6358 4.7482 4.7962 4.9490 4.9863 5.0240 5.0640 5.0714 5.2509 5.2658 5.3811 6.0100 6.0815 6.2356 6.3103 8.9943 9.0006 11.1700 11.2325 11.5083 11.5338 12.1827 12.2110 13.3502 13.3576 13.5947 13.6375 k =-0.2211 0.1875 0.2899 ( 4532 PWs) bands (ev): -22.3140 -22.3140 -13.8855 -13.8853 -11.7413 -11.7305 -11.7119 -11.7108 -11.6838 -11.6713 -6.0521 -6.0135 -5.7955 -5.7931 -5.7622 -5.7239 -2.5287 -2.5276 0.4697 0.4759 0.7297 0.7343 0.8505 0.8536 2.1140 2.1240 2.4814 2.4892 2.7850 2.8272 2.8636 2.9094 3.1148 3.1187 3.4959 3.5877 3.7192 3.7301 4.1887 4.2179 4.2417 4.3307 4.3759 4.5982 4.6028 4.6439 4.7613 4.8086 4.9289 4.9882 5.0336 5.0706 5.0805 5.2588 5.2762 5.3896 5.9902 6.0661 6.2301 6.3043 8.8852 8.8920 11.2064 11.2696 11.5630 11.5886 12.1941 12.2226 13.4262 13.4341 13.6590 13.7003 k =-0.2119 0.1797 0.2778 ( 4534 PWs) bands (ev): -22.3141 -22.3141 -13.8886 -13.8884 -11.7389 -11.7290 -11.7095 -11.7087 -11.6810 -11.6691 -6.0528 -6.0145 -5.7962 -5.7936 -5.7633 -5.7254 -2.5298 -2.5287 0.4624 0.4718 0.7168 0.7234 0.8303 0.8346 2.1146 2.1274 2.4902 2.5046 2.7925 2.8383 2.8696 2.9205 3.1202 3.1222 3.5034 3.5943 3.7173 3.7249 4.1947 4.2078 4.2446 4.3335 4.3903 4.5929 4.6042 4.6502 4.7728 4.8201 4.9137 4.9924 5.0420 5.0722 5.0987 5.2683 5.2862 5.3983 5.9725 6.0526 6.2220 6.2956 8.7764 8.7836 11.2436 11.3075 11.6201 11.6457 12.2050 12.2334 13.5041 13.5125 13.7219 13.7613 k =-0.2027 0.1719 0.2657 ( 4530 PWs) bands (ev): -22.3142 -22.3142 -13.8916 -13.8914 -11.7365 -11.7274 -11.7072 -11.7066 -11.6784 -11.6670 -6.0534 -6.0154 -5.7968 -5.7940 -5.7642 -5.7269 -2.5316 -2.5305 0.4564 0.4692 0.7041 0.7130 0.8106 0.8159 2.1137 2.1291 2.5018 2.5227 2.8002 2.8495 2.8758 2.9319 3.1225 3.1226 3.5129 3.6031 3.7110 3.7158 4.1937 4.2004 4.2500 4.3364 4.4040 4.5919 4.6031 4.6554 4.7827 4.8298 4.9047 4.9988 5.0480 5.0775 5.1182 5.2792 5.2958 5.4072 5.9572 6.0410 6.2113 6.2843 8.6680 8.6757 11.2816 11.3458 11.6797 11.7052 12.2156 12.2437 13.5835 13.5921 13.7828 13.8192 k =-0.1934 0.1641 0.2537 ( 4534 PWs) bands (ev): -22.3143 -22.3143 -13.8946 -13.8945 -11.7342 -11.7258 -11.7049 -11.7045 -11.6757 -11.6649 -6.0538 -6.0163 -5.7972 -5.7942 -5.7652 -5.7285 -2.5340 -2.5329 0.4515 0.4680 0.6915 0.7032 0.7915 0.7976 2.1117 2.1291 2.5159 2.5431 2.8081 2.8608 2.8824 2.9435 3.1199 3.1222 3.5235 3.6131 3.7010 3.7037 4.1762 4.2050 4.2573 4.3392 4.4170 4.5953 4.5997 4.6604 4.7911 4.8373 4.9017 5.0077 5.0513 5.0868 5.1385 5.2910 5.3052 5.4161 5.9440 6.0310 6.1982 6.2705 8.5603 8.5686 11.3199 11.3842 11.7417 11.7671 12.2262 12.2536 13.6637 13.6725 13.8409 13.8713 k =-0.1842 0.1563 0.2416 ( 4542 PWs) bands (ev): -22.3144 -22.3144 -13.8976 -13.8975 -11.7319 -11.7241 -11.7026 -11.7023 -11.6732 -11.6630 -6.0540 -6.0172 -5.7975 -5.7943 -5.7660 -5.7303 -2.5369 -2.5358 0.4478 0.4681 0.6790 0.6940 0.7732 0.7798 2.1089 2.1278 2.5323 2.5654 2.8162 2.8717 2.8898 2.9553 3.1149 3.1195 3.5339 3.6227 3.6892 3.6900 4.1556 4.2073 4.2662 4.3424 4.4293 4.5947 4.6030 4.6655 4.7981 4.8432 4.9032 5.0193 5.0531 5.0987 5.1591 5.3032 5.3146 5.4251 5.9330 6.0227 6.1826 6.2544 8.4536 8.4625 11.3584 11.4225 11.8061 11.8315 12.2370 12.2636 13.7441 13.7529 13.8902 13.9049 k =-0.1750 0.1485 0.2295 ( 4542 PWs) bands (ev): -22.3144 -22.3144 -13.9006 -13.9005 -11.7295 -11.7225 -11.7003 -11.7002 -11.6707 -11.6611 -6.0542 -6.0181 -5.7976 -5.7943 -5.7668 -5.7320 -2.5404 -2.5394 0.4451 0.4695 0.6665 0.6855 0.7559 0.7626 2.1053 2.1254 2.5507 2.5894 2.8243 2.8815 2.8986 2.9672 3.1079 3.1150 3.5421 3.6271 3.6766 3.6803 4.1327 4.2060 4.2767 4.3469 4.4412 4.5894 4.6143 4.6709 4.8039 4.8486 4.9074 5.0335 5.0546 5.1123 5.1796 5.3153 5.3243 5.4342 5.9242 6.0160 6.1649 6.2360 8.3482 8.3576 11.3968 11.4603 11.8730 11.8982 12.2484 12.2739 13.8232 13.8318 13.8913 13.8969 k =-0.1658 0.1406 0.2174 ( 4538 PWs) bands (ev): -22.3145 -22.3145 -13.9035 -13.9034 -11.7273 -11.7208 -11.6981 -11.6980 -11.6682 -11.6593 -6.0541 -6.0190 -5.7976 -5.7940 -5.7675 -5.7339 -2.5444 -2.5434 0.4433 0.4721 0.6540 0.6776 0.7398 0.7461 2.1013 2.1220 2.5706 2.6146 2.8325 2.8898 2.9091 2.9792 3.0993 3.1091 3.5453 3.6192 3.6665 3.6814 4.1079 4.1999 4.2884 4.3534 4.4529 4.5850 4.6285 4.6765 4.8085 4.8544 4.9127 5.0499 5.0563 5.1270 5.1994 5.3268 5.3346 5.4436 5.9176 6.0107 6.1451 6.2156 8.2443 8.2543 11.4346 11.4971 11.9422 11.9672 12.2609 12.2851 13.8578 13.8649 13.9032 13.9116 k =-0.1566 0.1328 0.2053 ( 4540 PWs) bands (ev): -22.3146 -22.3146 -13.9064 -13.9062 -11.7250 -11.7191 -11.6960 -11.6959 -11.6659 -11.6576 -6.0540 -6.0198 -5.7974 -5.7937 -5.7682 -5.7357 -2.5488 -2.5478 0.4423 0.4758 0.6413 0.6704 0.7250 0.7303 2.0970 2.1180 2.5917 2.6408 2.8406 2.8969 2.9209 2.9909 3.0897 3.1023 3.5406 3.6003 3.6628 3.6911 4.0819 4.1885 4.3013 4.3626 4.4645 4.5821 4.6449 4.6822 4.8121 4.8609 4.9185 5.0582 5.0676 5.1424 5.2183 5.3372 5.3460 5.4534 5.9131 6.0066 6.1235 6.1932 8.1422 8.1528 11.4714 11.5326 12.0137 12.0386 12.2749 12.2973 13.8260 13.8335 13.9735 13.9813 k =-0.1474 0.1250 0.1933 ( 4548 PWs) bands (ev): -22.3146 -22.3146 -13.9091 -13.9090 -11.7229 -11.7175 -11.6939 -11.6938 -11.6637 -11.6559 -6.0537 -6.0207 -5.7971 -5.7932 -5.7688 -5.7377 -2.5535 -2.5525 0.4420 0.4804 0.6284 0.6639 0.7117 0.7154 2.0924 2.1134 2.6136 2.6676 2.8486 2.9033 2.9334 3.0023 3.0795 3.0950 3.5273 3.5761 3.6661 3.7041 4.0552 4.1721 4.3152 4.3742 4.4761 4.5811 4.6628 4.6878 4.8149 4.8680 4.9248 5.0606 5.0859 5.1582 5.2363 5.3463 5.3585 5.4637 5.9105 6.0036 6.1004 6.1692 8.0422 8.0534 11.5069 11.5662 12.0876 12.1123 12.2906 12.3111 13.7941 13.8012 14.0332 14.0384 k =-0.1382 0.1172 0.1812 ( 4546 PWs) bands (ev): -22.3147 -22.3147 -13.9118 -13.9117 -11.7208 -11.7159 -11.6919 -11.6918 -11.6616 -11.6544 -6.0533 -6.0216 -5.7966 -5.7926 -5.7694 -5.7397 -2.5585 -2.5575 0.4422 0.4859 0.6153 0.6582 0.6997 0.7014 2.0879 2.1084 2.6359 2.6949 2.8564 2.9092 2.9462 3.0129 3.0694 3.0875 3.5078 3.5495 3.6744 3.7177 4.0284 4.1516 4.3298 4.3879 4.4879 4.5819 4.6819 4.6934 4.8171 4.8753 4.9322 5.0635 5.1035 5.1742 5.2538 5.3541 5.3721 5.4744 5.9097 6.0016 6.0761 6.1437 7.9447 7.9564 11.5407 11.5977 12.1635 12.1882 12.3087 12.3266 13.7636 13.7698 14.0697 14.0719 k =-0.1290 0.1094 0.1691 ( 4550 PWs) bands (ev): -22.3148 -22.3148 -13.9144 -13.9143 -11.7187 -11.7144 -11.6899 -11.6899 -11.6595 -11.6530 -6.0527 -6.0224 -5.7960 -5.7920 -5.7699 -5.7418 -2.5636 -2.5627 0.4429 0.4920 0.6022 0.6531 0.6883 0.6892 2.0833 2.1033 2.6584 2.7222 2.8640 2.9148 2.9589 3.0218 3.0603 3.0801 3.4847 3.5217 3.6854 3.7310 4.0019 4.1281 4.3446 4.4028 4.5001 4.5846 4.6988 4.7015 4.8186 4.8824 4.9408 5.0669 5.1195 5.1898 5.2715 5.3609 5.3868 5.4853 5.9102 6.0002 6.0509 6.1171 7.8499 7.8620 11.5724 11.6266 12.2412 12.2661 12.3296 12.3444 13.7347 13.7398 14.0724 14.0815 k =-0.1197 0.1016 0.1570 ( 4554 PWs) bands (ev): -22.3148 -22.3148 -13.9168 -13.9167 -11.7168 -11.7129 -11.6880 -11.6880 -11.6576 -11.6516 -6.0521 -6.0233 -5.7952 -5.7912 -5.7704 -5.7439 -2.5688 -2.5679 0.4438 0.4988 0.5891 0.6486 0.6763 0.6801 2.0789 2.0981 2.6807 2.7493 2.8711 2.9203 2.9711 3.0267 3.0547 3.0732 3.4599 3.4938 3.6975 3.7434 3.9761 4.1026 4.3595 4.4180 4.5128 4.5890 4.7040 4.7213 4.8196 4.8890 4.9510 5.0708 5.1329 5.2044 5.2901 5.3673 5.4020 5.4962 5.9116 5.9990 6.0255 6.0899 7.7581 7.7707 11.6017 11.6526 12.3177 12.3450 12.3562 12.3654 13.7077 13.7115 14.0582 14.0699 k =-0.1105 0.0938 0.1449 ( 4550 PWs) bands (ev): -22.3149 -22.3149 -13.9191 -13.9191 -11.7149 -11.7114 -11.6862 -11.6862 -11.6559 -11.6504 -6.0514 -6.0242 -5.7943 -5.7904 -5.7708 -5.7460 -2.5740 -2.5732 0.4448 0.5059 0.5763 0.6448 0.6654 0.6722 2.0747 2.0929 2.7024 2.7759 2.8778 2.9258 2.9823 3.0243 3.0558 3.0672 3.4349 3.4665 3.7096 3.7546 3.9514 4.0758 4.3740 4.4327 4.5262 4.5954 4.7089 4.7408 4.8203 4.8951 4.9630 5.0752 5.1431 5.2171 5.3105 5.3742 5.4174 5.5069 5.9129 5.9973 6.0010 6.0630 7.6699 7.6827 11.6283 11.6755 12.3687 12.3849 12.4127 12.4296 13.6827 13.6851 14.0363 14.0487 k =-0.1013 0.0859 0.1329 ( 4556 PWs) bands (ev): -22.3150 -22.3150 -13.9213 -13.9213 -11.7132 -11.7101 -11.6846 -11.6845 -11.6542 -11.6493 -6.0505 -6.0251 -5.7933 -5.7895 -5.7713 -5.7482 -2.5792 -2.5784 0.4459 0.5131 0.5640 0.6412 0.6560 0.6655 2.0708 2.0878 2.7232 2.8017 2.8837 2.9312 2.9920 3.0174 3.0609 3.0627 3.4104 3.4405 3.7213 3.7641 3.9283 4.0487 4.3877 4.4460 4.5405 4.6039 4.7134 4.7595 4.8211 4.9005 4.9766 5.0801 5.1500 5.2273 5.3326 5.3823 5.4326 5.5172 5.9118 5.9797 5.9925 6.0389 7.5854 7.5984 11.6522 11.6954 12.3988 12.4094 12.4942 12.5130 13.6598 13.6606 14.0108 14.0234 k =-0.0921 0.0781 0.1208 ( 4544 PWs) bands (ev): -22.3150 -22.3150 -13.9233 -13.9233 -11.7115 -11.7088 -11.6830 -11.6829 -11.6527 -11.6483 -6.0496 -6.0261 -5.7922 -5.7886 -5.7716 -5.7503 -2.5842 -2.5835 0.4471 0.5199 0.5527 0.6372 0.6486 0.6598 2.0671 2.0829 2.7430 2.8265 2.8889 2.9366 2.9995 3.0097 3.0601 3.0664 3.3873 3.4164 3.7321 3.7719 3.9072 4.0217 4.4004 4.4573 4.5557 4.6145 4.7175 4.7765 4.8226 4.9055 4.9916 5.0856 5.1540 5.2341 5.3562 5.3925 5.4472 5.5268 5.9042 5.9660 5.9792 6.0235 7.5053 7.5183 11.6732 11.7123 12.4283 12.4354 12.5797 12.5983 13.6384 13.6393 13.9836 13.9961 k =-0.0829 0.0703 0.1087 ( 4547 PWs) bands (ev): -22.3150 -22.3150 -13.9252 -13.9252 -11.7100 -11.7076 -11.6815 -11.6815 -11.6513 -11.6474 -6.0486 -6.0271 -5.7910 -5.7876 -5.7720 -5.7526 -2.5890 -2.5884 0.4482 0.5247 0.5440 0.6318 0.6442 0.6551 2.0638 2.0782 2.7613 2.8498 2.8931 2.9421 3.0025 3.0039 3.0600 3.0708 3.3661 3.3946 3.7419 3.7773 3.8888 3.9954 4.4117 4.4661 4.5716 4.6272 4.7210 4.7898 4.8264 4.9102 5.0077 5.0914 5.1554 5.2373 5.3808 5.4047 5.4611 5.5357 5.8878 5.9562 5.9622 6.0180 7.4301 7.4429 11.6915 11.7264 12.4584 12.4627 12.6670 12.6848 13.6184 13.6213 13.9557 13.9678 k =-0.0737 0.0625 0.0966 ( 4547 PWs) bands (ev): -22.3151 -22.3151 -13.9269 -13.9269 -11.7086 -11.7066 -11.6802 -11.6801 -11.6500 -11.6466 -6.0475 -6.0281 -5.7897 -5.7867 -5.7723 -5.7548 -2.5935 -2.5929 0.4494 0.5225 0.5428 0.6255 0.6421 0.6513 2.0608 2.0738 2.7782 2.8709 2.8964 2.9476 2.9965 3.0055 3.0621 3.0737 3.3475 3.3757 3.7504 3.7801 3.8738 3.9702 4.4218 4.4725 4.5881 4.6417 4.7238 4.7971 4.8349 4.9146 5.0245 5.0975 5.1550 5.2370 5.4056 5.4189 5.4741 5.5438 5.8666 5.9292 5.9647 6.0169 7.3602 7.3726 11.7072 11.7378 12.4888 12.4908 12.7555 12.7720 13.6008 13.6059 13.9279 13.9393 k =-0.0645 0.0547 0.0846 ( 4539 PWs) bands (ev): -22.3151 -22.3151 -13.9284 -13.9284 -11.7074 -11.7056 -11.6790 -11.6789 -11.6488 -11.6459 -6.0463 -6.0291 -5.7883 -5.7857 -5.7726 -5.7570 -2.5976 -2.5971 0.4506 0.5146 0.5477 0.6192 0.6411 0.6482 2.0582 2.0697 2.7934 2.8869 2.9016 2.9530 2.9921 3.0050 3.0652 3.0748 3.3319 3.3598 3.7575 3.7800 3.8629 3.9467 4.4306 4.4765 4.6049 4.6572 4.7259 4.7988 4.8473 4.9188 5.0418 5.1037 5.1534 5.2336 5.4297 5.4341 5.4864 5.5510 5.8442 5.9015 5.9700 6.0171 7.2963 7.3080 11.7205 11.7469 12.5188 12.5189 12.8444 12.8594 13.5860 13.5935 13.9010 13.9113 k =-0.0553 0.0469 0.0725 ( 4531 PWs) bands (ev): -22.3151 -22.3151 -13.9298 -13.9298 -11.7063 -11.7048 -11.6780 -11.6779 -11.6478 -11.6453 -6.0451 -6.0302 -5.7869 -5.7848 -5.7728 -5.7591 -2.6013 -2.6009 0.4518 0.5059 0.5539 0.6133 0.6408 0.6459 2.0560 2.0660 2.8070 2.8912 2.9147 2.9583 2.9893 3.0033 3.0684 3.0744 3.3196 3.3468 3.7630 3.7771 3.8561 3.9254 4.4383 4.4787 4.6217 4.6731 4.7271 4.7972 4.8610 4.9226 5.0593 5.1099 5.1511 5.2278 5.4495 5.4520 5.4981 5.5572 5.8228 5.8745 5.9765 6.0176 7.2390 7.2498 11.7316 11.7540 12.5461 12.5474 12.9327 12.9457 13.5743 13.5845 13.8755 13.8843 k =-0.0461 0.0391 0.0604 ( 4533 PWs) bands (ev): -22.3152 -22.3152 -13.9309 -13.9309 -11.7053 -11.7041 -11.6771 -11.6770 -11.6469 -11.6448 -6.0439 -6.0314 -5.7855 -5.7839 -5.7730 -5.7613 -2.6046 -2.6042 0.4533 0.4976 0.5600 0.6079 0.6408 0.6443 2.0543 2.0627 2.8191 2.8899 2.9298 2.9632 2.9879 3.0011 3.0706 3.0729 3.3107 3.3364 3.7666 3.7725 3.8527 3.9066 4.4450 4.4794 4.6379 4.6885 4.7275 4.7938 4.8745 4.9259 5.0766 5.1157 5.1485 5.2199 5.4642 5.4713 5.5098 5.5624 5.8036 5.8491 5.9832 6.0180 7.1890 7.1986 11.7408 11.7592 12.5716 12.5738 13.0192 13.0296 13.5664 13.5798 13.8523 13.8589 k =-0.0368 0.0313 0.0483 ( 4529 PWs) bands (ev): -22.3152 -22.3152 -13.9319 -13.9318 -11.7045 -11.7036 -11.6763 -11.6763 -11.6461 -11.6445 -6.0426 -6.0325 -5.7841 -5.7831 -5.7731 -5.7634 -2.6073 -2.6070 0.4551 0.4899 0.5658 0.6028 0.6410 0.6432 2.0531 2.0598 2.8299 2.8864 2.9434 2.9675 2.9877 2.9987 3.0708 3.0716 3.3051 3.3281 3.7677 3.7683 3.8516 3.8909 4.4509 4.4788 4.6532 4.7023 4.7277 4.7891 4.8871 4.9282 5.0935 5.1209 5.1464 5.2106 5.4774 5.4864 5.5220 5.5663 5.7876 5.8258 5.9899 6.0180 7.1471 7.1552 11.7483 11.7628 12.5944 12.5969 13.1013 13.1088 13.5634 13.5804 13.8318 13.8354 k =-0.0276 0.0234 0.0362 ( 4523 PWs) bands (ev): -22.3152 -22.3152 -13.9326 -13.9326 -11.7039 -11.7032 -11.6757 -11.6757 -11.6455 -11.6443 -6.0414 -6.0337 -5.7829 -5.7824 -5.7730 -5.7654 -2.6094 -2.6092 0.4572 0.4830 0.5711 0.5982 0.6413 0.6425 2.0523 2.0573 2.8394 2.8817 2.9547 2.9712 2.9880 2.9964 3.0688 3.0714 3.3026 3.3214 3.7639 3.7682 3.8519 3.8785 4.4562 4.4773 4.6673 4.7114 4.7303 4.7833 4.8984 4.9294 5.1092 5.1252 5.1452 5.2001 5.4886 5.4968 5.5346 5.5687 5.7756 5.8055 5.9961 6.0174 7.1139 7.1203 11.7543 11.7651 12.6136 12.6160 13.1754 13.1794 13.5675 13.5879 13.8139 13.8144 k =-0.0184 0.0156 0.0242 ( 4533 PWs) bands (ev): -22.3152 -22.3152 -13.9331 -13.9331 -11.7034 -11.7029 -11.6753 -11.6753 -11.6450 -11.6442 -6.0401 -6.0350 -5.7820 -5.7818 -5.7726 -5.7673 -2.6109 -2.6108 0.4599 0.4768 0.5761 0.5937 0.6415 0.6421 2.0519 2.0553 2.8480 2.8761 2.9636 2.9737 2.9886 2.9941 3.0674 3.0704 3.3025 3.3159 3.7616 3.7666 3.8531 3.8691 4.4608 4.4749 4.6800 4.7119 4.7385 4.7764 4.9082 4.9289 5.1222 5.1285 5.1464 5.1886 5.4972 5.5030 5.5463 5.5692 5.7681 5.7887 6.0017 6.0160 7.0900 7.0944 11.7589 11.7661 12.6281 12.6300 13.2353 13.2363 13.5812 13.6035 13.7925 13.7990 k =-0.0092 0.0078 0.0121 ( 4529 PWs) bands (ev): -22.3152 -22.3152 -13.9334 -13.9334 -11.7030 -11.7028 -11.6750 -11.6750 -11.6446 -11.6442 -6.0388 -6.0362 -5.7814 -5.7814 -5.7718 -5.7691 -2.6119 -2.6118 0.4631 0.4715 0.5807 0.5894 0.6417 0.6419 2.0520 2.0537 2.8559 2.8699 2.9699 2.9748 2.9893 2.9920 3.0671 3.0689 3.3042 3.3112 3.7611 3.7643 3.8551 3.8626 4.4650 4.4721 4.6911 4.7074 4.7490 4.7683 4.9162 4.9267 5.1295 5.1306 5.1529 5.1765 5.5030 5.5059 5.5561 5.5675 5.7657 5.7762 6.0066 6.0138 7.0760 7.0782 11.7624 11.7659 12.6375 12.6384 13.2738 13.2742 13.6050 13.6230 13.7698 13.7809 k = 0.0000 0.0000 0.0000 ( 4527 PWs) bands (ev): -22.3152 -22.3152 -13.9335 -13.9335 -11.7028 -11.7028 -11.6749 -11.6749 -11.6443 -11.6443 -6.0375 -6.0375 -5.7812 -5.7812 -5.7706 -5.7706 -2.6121 -2.6121 0.4669 0.4669 0.5851 0.5851 0.6418 0.6418 2.0527 2.0527 2.8632 2.8632 2.9737 2.9737 2.9904 2.9904 3.0677 3.0677 3.3073 3.3073 3.7622 3.7622 3.8581 3.8581 4.4688 4.4688 4.7003 4.7003 4.7592 4.7592 4.9224 4.9224 5.1313 5.1313 5.1641 5.1641 5.5059 5.5059 5.5632 5.5632 5.7684 5.7684 6.0107 6.0107 7.0720 7.0720 11.7647 11.7647 12.6410 12.6410 13.2871 13.2871 13.6267 13.6267 13.7621 13.7621 k = 0.0000 0.0000 0.0000 ( 4527 PWs) bands (ev): -22.3152 -22.3152 -13.9335 -13.9335 -11.7028 -11.7028 -11.6749 -11.6749 -11.6443 -11.6443 -6.0375 -6.0375 -5.7812 -5.7812 -5.7706 -5.7706 -2.6121 -2.6121 0.4669 0.4669 0.5851 0.5851 0.6418 0.6418 2.0527 2.0527 2.8632 2.8632 2.9737 2.9737 2.9904 2.9904 3.0677 3.0677 3.3073 3.3073 3.7622 3.7622 3.8581 3.8581 4.4688 4.4688 4.7003 4.7003 4.7592 4.7592 4.9224 4.9224 5.1313 5.1313 5.1641 5.1641 5.5059 5.5059 5.5632 5.5632 5.7684 5.7684 6.0107 6.0107 7.0720 7.0720 11.7647 11.7647 12.6410 12.6410 13.2871 13.2871 13.6267 13.6267 13.7621 13.7621 k = 0.0111 0.0131-0.0000 ( 4527 PWs) bands (ev): -22.3152 -22.3152 -13.9335 -13.9335 -11.7029 -11.7029 -11.6750 -11.6750 -11.6444 -11.6444 -6.0375 -6.0375 -5.7812 -5.7812 -5.7706 -5.7706 -2.6122 -2.6122 0.4676 0.4676 0.5857 0.5857 0.6423 0.6423 2.0525 2.0525 2.8634 2.8634 2.9737 2.9737 2.9902 2.9902 3.0672 3.0672 3.3061 3.3061 3.7622 3.7622 3.8582 3.8582 4.4687 4.4687 4.6992 4.6993 4.7601 4.7601 4.9211 4.9211 5.1310 5.1310 5.1622 5.1622 5.5051 5.5051 5.5631 5.5631 5.7721 5.7721 6.0083 6.0083 7.0768 7.0768 11.7618 11.7618 12.6402 12.6402 13.2935 13.2935 13.6258 13.6258 13.7561 13.7561 k = 0.0222 0.0262-0.0000 ( 4535 PWs) bands (ev): -22.3152 -22.3152 -13.9332 -13.9332 -11.7030 -11.7030 -11.6752 -11.6752 -11.6446 -11.6446 -6.0375 -6.0375 -5.7811 -5.7811 -5.7707 -5.7707 -2.6123 -2.6123 0.4698 0.4698 0.5875 0.5875 0.6439 0.6440 2.0522 2.0522 2.8638 2.8638 2.9737 2.9737 2.9897 2.9897 3.0658 3.0658 3.3024 3.3024 3.7624 3.7624 3.8584 3.8584 4.4683 4.4683 4.6963 4.6964 4.7628 4.7629 4.9169 4.9169 5.1301 5.1301 5.1565 5.1565 5.5028 5.5028 5.5628 5.5628 5.7829 5.7829 6.0015 6.0015 7.0909 7.0909 11.7534 11.7534 12.6380 12.6380 13.3123 13.3123 13.6229 13.6229 13.7384 13.7384 k = 0.0333 0.0393 0.0000 ( 4551 PWs) bands (ev): -22.3152 -22.3152 -13.9328 -13.9328 -11.7033 -11.7033 -11.6755 -11.6755 -11.6449 -11.6449 -6.0374 -6.0374 -5.7809 -5.7809 -5.7708 -5.7708 -2.6126 -2.6126 0.4733 0.4733 0.5904 0.5905 0.6466 0.6466 2.0516 2.0516 2.8646 2.8646 2.9737 2.9737 2.9887 2.9887 3.0636 3.0636 3.2965 3.2965 3.7625 3.7625 3.8586 3.8586 4.4678 4.4678 4.6920 4.6920 4.7669 4.7669 4.9097 4.9097 5.1284 5.1284 5.1479 5.1479 5.4995 5.4995 5.5623 5.5623 5.7997 5.7997 5.9906 5.9906 7.1138 7.1138 11.7399 11.7399 12.6343 12.6343 13.3431 13.3431 13.6177 13.6177 13.7107 13.7107 k = 0.0444 0.0524-0.0000 ( 4551 PWs) bands (ev): -22.3152 -22.3152 -13.9323 -13.9323 -11.7037 -11.7037 -11.6759 -11.6759 -11.6454 -11.6454 -6.0373 -6.0373 -5.7807 -5.7807 -5.7708 -5.7708 -2.6130 -2.6130 0.4781 0.4781 0.5946 0.5946 0.6503 0.6504 2.0508 2.0508 2.8657 2.8657 2.9737 2.9737 2.9874 2.9874 3.0605 3.0605 3.2882 3.2882 3.7629 3.7629 3.8591 3.8591 4.4671 4.4671 4.6865 4.6866 4.7718 4.7719 4.8994 4.8995 5.1259 5.1259 5.1374 5.1374 5.4960 5.4960 5.5616 5.5616 5.8211 5.8211 5.9766 5.9766 7.1451 7.1451 11.7217 11.7217 12.6291 12.6291 13.3850 13.3850 13.6092 13.6092 13.6758 13.6758 k = 0.0556 0.0655 0.0000 ( 4543 PWs) bands (ev): -22.3152 -22.3152 -13.9316 -13.9316 -11.7042 -11.7042 -11.6765 -11.6765 -11.6460 -11.6460 -6.0372 -6.0372 -5.7804 -5.7804 -5.7709 -5.7709 -2.6134 -2.6134 0.4844 0.4844 0.5998 0.5998 0.6551 0.6551 2.0497 2.0497 2.8669 2.8669 2.9737 2.9737 2.9858 2.9858 3.0567 3.0567 3.2778 3.2778 3.7633 3.7633 3.8598 3.8598 4.4663 4.4663 4.6804 4.6804 4.7773 4.7774 4.8860 4.8860 5.1206 5.1206 5.1280 5.1280 5.4926 5.4926 5.5607 5.5607 5.8455 5.8455 5.9607 5.9607 7.1838 7.1838 11.6997 11.6997 12.6226 12.6226 13.4367 13.4367 13.5935 13.5935 13.6391 13.6391 k = 0.0667 0.0786 0.0000 ( 4547 PWs) bands (ev): -22.3151 -22.3151 -13.9307 -13.9307 -11.7048 -11.7048 -11.6772 -11.6772 -11.6468 -11.6468 -6.0370 -6.0370 -5.7801 -5.7801 -5.7710 -5.7710 -2.6140 -2.6140 0.4919 0.4919 0.6062 0.6062 0.6609 0.6609 2.0484 2.0484 2.8682 2.8682 2.9735 2.9735 2.9838 2.9838 3.0522 3.0522 3.2652 3.2652 3.7639 3.7639 3.8606 3.8606 4.4653 4.4653 4.6735 4.6736 4.7830 4.7831 4.8692 4.8692 5.1099 5.1099 5.1229 5.1229 5.4895 5.4895 5.5595 5.5595 5.8696 5.8696 5.9459 5.9459 7.2292 7.2292 11.6746 11.6746 12.6147 12.6147 13.4927 13.4927 13.5659 13.5659 13.6064 13.6064 k = 0.0778 0.0917 0.0000 ( 4539 PWs) bands (ev): -22.3151 -22.3151 -13.9297 -13.9297 -11.7055 -11.7055 -11.6780 -11.6780 -11.6477 -11.6477 -6.0368 -6.0368 -5.7796 -5.7796 -5.7711 -5.7711 -2.6146 -2.6146 0.5008 0.5008 0.6137 0.6137 0.6676 0.6676 2.0468 2.0468 2.8695 2.8695 2.9731 2.9731 2.9815 2.9815 3.0473 3.0473 3.2506 3.2506 3.7647 3.7647 3.8616 3.8616 4.4642 4.4642 4.6662 4.6662 4.7886 4.7886 4.8494 4.8494 5.0981 5.0981 5.1188 5.1188 5.4870 5.4870 5.5581 5.5581 5.8837 5.8837 5.9418 5.9418 7.2805 7.2805 11.6471 11.6471 12.6054 12.6054 13.4969 13.4969 13.5538 13.5538 13.5851 13.5852 k = 0.0889 0.1048 0.0000 ( 4539 PWs) bands (ev): -22.3150 -22.3150 -13.9285 -13.9285 -11.7063 -11.7063 -11.6789 -11.6789 -11.6488 -11.6488 -6.0365 -6.0365 -5.7791 -5.7791 -5.7711 -5.7711 -2.6154 -2.6154 0.5109 0.5109 0.6223 0.6223 0.6753 0.6753 2.0450 2.0450 2.8707 2.8707 2.9720 2.9721 2.9789 2.9789 3.0421 3.0421 3.2343 3.2343 3.7657 3.7657 3.8629 3.8629 4.4629 4.4629 4.6583 4.6583 4.7930 4.7930 4.8278 4.8278 5.0868 5.0868 5.1145 5.1145 5.4851 5.4851 5.5564 5.5564 5.8761 5.8761 5.9599 5.9599 7.3370 7.3370 11.6179 11.6179 12.5950 12.5950 13.4471 13.4471 13.4968 13.4968 13.5840 13.5840 k = 0.1000 0.1179-0.0000 ( 4523 PWs) bands (ev): -22.3149 -22.3149 -13.9271 -13.9271 -11.7072 -11.7072 -11.6799 -11.6799 -11.6501 -11.6501 -6.0362 -6.0362 -5.7786 -5.7786 -5.7711 -5.7711 -2.6162 -2.6162 0.5222 0.5222 0.6320 0.6320 0.6840 0.6840 2.0428 2.0428 2.8717 2.8717 2.9702 2.9702 2.9761 2.9761 3.0369 3.0369 3.2163 3.2163 3.7669 3.7669 3.8644 3.8644 4.4616 4.4616 4.6498 4.6498 4.7896 4.7896 4.8115 4.8116 5.0765 5.0765 5.1097 5.1097 5.4837 5.4837 5.5544 5.5544 5.8578 5.8578 5.9894 5.9894 7.3981 7.3981 11.5875 11.5875 12.5833 12.5833 13.3902 13.3902 13.4357 13.4357 13.5673 13.5673 k = 0.1111 0.1310 0.0000 ( 4531 PWs) bands (ev): -22.3149 -22.3149 -13.9256 -13.9256 -11.7082 -11.7082 -11.6810 -11.6810 -11.6516 -11.6516 -6.0359 -6.0359 -5.7780 -5.7780 -5.7711 -5.7711 -2.6170 -2.6170 0.5347 0.5347 0.6426 0.6427 0.6934 0.6934 2.0404 2.0404 2.8723 2.8723 2.9671 2.9672 2.9731 2.9731 3.0321 3.0321 3.1969 3.1969 3.7683 3.7683 3.8662 3.8662 4.4601 4.4601 4.6404 4.6404 4.7681 4.7681 4.8114 4.8114 5.0672 5.0672 5.1043 5.1043 5.4827 5.4828 5.5521 5.5521 5.8366 5.8366 6.0224 6.0224 7.4632 7.4632 11.5563 11.5563 12.5705 12.5705 13.3310 13.3310 13.3738 13.3738 13.5482 13.5482 k = 0.1222 0.1441-0.0000 ( 4547 PWs) bands (ev): -22.3148 -22.3148 -13.9239 -13.9239 -11.7093 -11.7093 -11.6822 -11.6822 -11.6532 -11.6532 -6.0355 -6.0355 -5.7773 -5.7773 -5.7711 -5.7711 -2.6180 -2.6180 0.5482 0.5482 0.6543 0.6543 0.7037 0.7037 2.0376 2.0376 2.8725 2.8725 2.9628 2.9628 2.9696 2.9697 3.0279 3.0279 3.1764 3.1764 3.7699 3.7699 3.8683 3.8683 4.4585 4.4585 4.6295 4.6295 4.7414 4.7414 4.8155 4.8155 5.0590 5.0590 5.0984 5.0984 5.4823 5.4823 5.5494 5.5494 5.8148 5.8148 6.0567 6.0567 7.5319 7.5319 11.5248 11.5248 12.5566 12.5566 13.2710 13.2710 13.3117 13.3117 13.5266 13.5266 k = 0.1333 0.1572 0.0000 ( 4547 PWs) bands (ev): -22.3148 -22.3148 -13.9220 -13.9220 -11.7105 -11.7105 -11.6835 -11.6835 -11.6551 -11.6551 -6.0350 -6.0350 -5.7766 -5.7766 -5.7709 -5.7709 -2.6190 -2.6190 0.5627 0.5628 0.6670 0.6670 0.7148 0.7148 2.0346 2.0346 2.8721 2.8721 2.9573 2.9573 2.9654 2.9654 3.0245 3.0245 3.1551 3.1551 3.7718 3.7718 3.8708 3.8708 4.4569 4.4569 4.6166 4.6166 4.7147 4.7147 4.8198 4.8198 5.0517 5.0517 5.0920 5.0920 5.4824 5.4824 5.5463 5.5463 5.7934 5.7934 6.0916 6.0916 7.6037 7.6037 11.4932 11.4932 12.5418 12.5418 13.2109 13.2109 13.2501 13.2501 13.5022 13.5022 k = 0.1444 0.1703 0.0000 ( 4547 PWs) bands (ev): -22.3147 -22.3147 -13.9199 -13.9199 -11.7118 -11.7118 -11.6849 -11.6849 -11.6571 -11.6571 -6.0345 -6.0345 -5.7758 -5.7758 -5.7707 -5.7707 -2.6200 -2.6200 0.5782 0.5782 0.6806 0.6806 0.7266 0.7266 2.0312 2.0312 2.8712 2.8712 2.9506 2.9507 2.9603 2.9604 3.0218 3.0218 3.1335 3.1335 3.7741 3.7741 3.8736 3.8736 4.4552 4.4552 4.6003 4.6004 4.6902 4.6902 4.8237 4.8237 5.0453 5.0453 5.0852 5.0853 5.4829 5.4829 5.5427 5.5427 5.7729 5.7729 6.1267 6.1267 7.6783 7.6783 11.4619 11.4619 12.5261 12.5261 13.1514 13.1514 13.1891 13.1891 13.4746 13.4746 k = 0.1556 0.1834 0.0000 ( 4555 PWs) bands (ev): -22.3146 -22.3146 -13.9177 -13.9177 -11.7132 -11.7132 -11.6863 -11.6863 -11.6594 -11.6594 -6.0339 -6.0339 -5.7750 -5.7750 -5.7704 -5.7704 -2.6211 -2.6211 0.5945 0.5945 0.6951 0.6951 0.7391 0.7391 2.0275 2.0275 2.8695 2.8695 2.9428 2.9429 2.9544 2.9544 3.0192 3.0192 3.1121 3.1121 3.7766 3.7766 3.8768 3.8768 4.4535 4.4535 4.5798 4.5798 4.6694 4.6695 4.8267 4.8268 5.0395 5.0395 5.0781 5.0782 5.4838 5.4838 5.5385 5.5385 5.7534 5.7534 6.1615 6.1615 7.7554 7.7554 11.4310 11.4310 12.5095 12.5095 13.0927 13.0927 13.1293 13.1293 13.4437 13.4437 k = 0.1667 0.1965-0.0000 ( 4527 PWs) bands (ev): -22.3145 -22.3145 -13.9154 -13.9154 -11.7146 -11.7146 -11.6879 -11.6878 -11.6618 -11.6618 -6.0332 -6.0332 -5.7741 -5.7741 -5.7699 -5.7699 -2.6223 -2.6223 0.6115 0.6115 0.7104 0.7105 0.7522 0.7522 2.0235 2.0235 2.8671 2.8671 2.9341 2.9342 2.9477 2.9477 3.0159 3.0159 3.0921 3.0921 3.7795 3.7795 3.8805 3.8805 4.4517 4.4517 4.5551 4.5551 4.6529 4.6530 4.8288 4.8288 5.0343 5.0344 5.0711 5.0711 5.4852 5.4852 5.5339 5.5339 5.7355 5.7355 6.1962 6.1962 7.8348 7.8348 11.4006 11.4006 12.4921 12.4921 13.0351 13.0351 13.0706 13.0706 13.4094 13.4094 k = 0.1778 0.2096 0.0000 ( 4535 PWs) bands (ev): -22.3144 -22.3144 -13.9128 -13.9128 -11.7161 -11.7161 -11.6895 -11.6894 -11.6645 -11.6645 -6.0324 -6.0324 -5.7731 -5.7731 -5.7693 -5.7693 -2.6235 -2.6235 0.6292 0.6292 0.7266 0.7267 0.7658 0.7658 2.0191 2.0191 2.8637 2.8638 2.9248 2.9248 2.9400 2.9400 3.0103 3.0104 3.0749 3.0749 3.7826 3.7826 3.8846 3.8846 4.4499 4.4499 4.5272 4.5272 4.6398 4.6398 4.8296 4.8296 5.0292 5.0293 5.0643 5.0644 5.4869 5.4869 5.5284 5.5284 5.7191 5.7191 6.2303 6.2303 7.9162 7.9162 11.3709 11.3709 12.4740 12.4740 12.9788 12.9788 13.0133 13.0133 13.3715 13.3715 k = 0.1889 0.2227 0.0000 ( 4535 PWs) bands (ev): -22.3144 -22.3144 -13.9101 -13.9101 -11.7177 -11.7177 -11.6911 -11.6911 -11.6674 -11.6674 -6.0316 -6.0316 -5.7722 -5.7722 -5.7686 -5.7686 -2.6247 -2.6247 0.6474 0.6474 0.7437 0.7437 0.7799 0.7799 2.0143 2.0143 2.8594 2.8594 2.9151 2.9151 2.9310 2.9310 3.0012 3.0013 3.0622 3.0622 3.7861 3.7861 3.8891 3.8891 4.4477 4.4477 4.4979 4.4979 4.6289 4.6289 4.8289 4.8289 5.0237 5.0238 5.0586 5.0586 5.4889 5.4889 5.5223 5.5223 5.7046 5.7046 6.2639 6.2639 7.9995 7.9995 11.3419 11.3419 12.4553 12.4553 12.9240 12.9240 12.9576 12.9576 13.3300 13.3300 k = 0.2000 0.2358-0.0000 ( 4535 PWs) bands (ev): -22.3143 -22.3143 -13.9073 -13.9073 -11.7193 -11.7193 -11.6928 -11.6928 -11.6705 -11.6705 -6.0306 -6.0306 -5.7711 -5.7711 -5.7678 -5.7678 -2.6260 -2.6260 0.6660 0.6660 0.7614 0.7615 0.7943 0.7944 2.0092 2.0092 2.8539 2.8539 2.9054 2.9054 2.9204 2.9204 2.9887 2.9887 3.0543 3.0543 3.7899 3.7899 3.8941 3.8942 4.4439 4.4440 4.4695 4.4695 4.6195 4.6195 4.8267 4.8267 5.0171 5.0172 5.0547 5.0547 5.4909 5.4909 5.5156 5.5157 5.6919 5.6919 6.2968 6.2968 8.0844 8.0844 11.3137 11.3137 12.4359 12.4359 12.8708 12.8708 12.9035 12.9035 13.2848 13.2848 k = 0.2111 0.2489-0.0000 ( 4547 PWs) bands (ev): -22.3142 -22.3142 -13.9043 -13.9043 -11.7210 -11.7210 -11.6945 -11.6945 -11.6739 -11.6738 -6.0296 -6.0296 -5.7701 -5.7701 -5.7668 -5.7668 -2.6273 -2.6273 0.6848 0.6848 0.7800 0.7800 0.8092 0.8092 2.0037 2.0037 2.8471 2.8471 2.8959 2.8959 2.9078 2.9078 2.9746 2.9746 3.0497 3.0497 3.7938 3.7938 3.8996 3.8996 4.4294 4.4295 4.4519 4.4519 4.6110 4.6110 4.8227 4.8228 5.0089 5.0090 5.0530 5.0530 5.4921 5.4921 5.5092 5.5092 5.6812 5.6812 6.3290 6.3290 8.1709 8.1709 11.2864 11.2864 12.4158 12.4158 12.8194 12.8194 12.8510 12.8510 13.2361 13.2361 k = 0.2222 0.2620 0.0000 ( 4547 PWs) bands (ev): -22.3141 -22.3141 -13.9012 -13.9012 -11.7228 -11.7228 -11.6963 -11.6963 -11.6773 -11.6773 -6.0285 -6.0285 -5.7690 -5.7690 -5.7657 -5.7657 -2.6286 -2.6286 0.7038 0.7039 0.7992 0.7992 0.8243 0.8243 1.9978 1.9978 2.8389 2.8389 2.8862 2.8862 2.8936 2.8936 2.9610 2.9611 3.0468 3.0468 3.7981 3.7981 3.9056 3.9057 4.4024 4.4024 4.4475 4.4475 4.6030 4.6031 4.8171 4.8172 4.9993 4.9993 5.0537 5.0537 5.4902 5.4902 5.5057 5.5057 5.6725 5.6725 6.3604 6.3604 8.2588 8.2588 11.2600 11.2600 12.3952 12.3952 12.7697 12.7697 12.8004 12.8004 13.1839 13.1839 k = 0.2333 0.2751-0.0000 ( 4547 PWs) bands (ev): -22.3140 -22.3140 -13.8979 -13.8979 -11.7246 -11.7246 -11.6981 -11.6981 -11.6810 -11.6810 -6.0274 -6.0274 -5.7679 -5.7679 -5.7644 -5.7644 -2.6300 -2.6300 0.7229 0.7229 0.8190 0.8190 0.8396 0.8396 1.9917 1.9917 2.8293 2.8294 2.8732 2.8732 2.8814 2.8815 2.9489 2.9490 3.0444 3.0444 3.8025 3.8025 3.9122 3.9122 4.3738 4.3738 4.4455 4.4455 4.5955 4.5955 4.8099 4.8100 4.9883 4.9884 5.0564 5.0564 5.4834 5.4834 5.5066 5.5067 5.6655 5.6655 6.3910 6.3910 8.3480 8.3480 11.2345 11.2345 12.3739 12.3739 12.7219 12.7219 12.7516 12.7516 13.1284 13.1284 k = 0.2444 0.2882-0.0000 ( 4527 PWs) bands (ev): -22.3139 -22.3139 -13.8946 -13.8946 -11.7265 -11.7265 -11.6999 -11.6999 -11.6848 -11.6848 -6.0261 -6.0261 -5.7667 -5.7667 -5.7630 -5.7630 -2.6314 -2.6314 0.7419 0.7419 0.8394 0.8394 0.8551 0.8551 1.9852 1.9852 2.8183 2.8183 2.8560 2.8560 2.8730 2.8731 2.9383 2.9383 3.0419 3.0419 3.8070 3.8070 3.9192 3.9193 4.3461 4.3461 4.4441 4.4441 4.5883 4.5883 4.8012 4.8012 4.9765 4.9766 5.0607 5.0608 5.4742 5.4742 5.5099 5.5099 5.6603 5.6603 6.4207 6.4207 8.4385 8.4385 11.2099 11.2099 12.3519 12.3519 12.6760 12.6760 12.7046 12.7046 13.0696 13.0696 k = 0.2556 0.3013 0.0000 ( 4511 PWs) bands (ev): -22.3138 -22.3138 -13.8911 -13.8911 -11.7285 -11.7285 -11.7017 -11.7017 -11.6887 -11.6887 -6.0247 -6.0247 -5.7655 -5.7655 -5.7614 -5.7614 -2.6328 -2.6328 0.7607 0.7607 0.8601 0.8602 0.8707 0.8707 1.9784 1.9784 2.8057 2.8057 2.8382 2.8382 2.8657 2.8658 2.9288 2.9289 3.0388 3.0388 3.8115 3.8115 3.9268 3.9268 4.3196 4.3196 4.4429 4.4429 4.5812 4.5812 4.7911 4.7911 4.9640 4.9640 5.0665 5.0665 5.4642 5.4642 5.5140 5.5140 5.6564 5.6564 6.4494 6.4494 8.5301 8.5301 11.1863 11.1863 12.3292 12.3292 12.6320 12.6320 12.6595 12.6595 13.0080 13.0080 k = 0.2667 0.3144 0.0000 ( 4511 PWs) bands (ev): -22.3137 -22.3137 -13.8876 -13.8876 -11.7305 -11.7305 -11.7035 -11.7035 -11.6928 -11.6927 -6.0233 -6.0233 -5.7644 -5.7644 -5.7596 -5.7596 -2.6342 -2.6342 0.7792 0.7792 0.8808 0.8809 0.8868 0.8869 1.9713 1.9713 2.7914 2.7914 2.8214 2.8214 2.8589 2.8590 2.9201 2.9202 3.0351 3.0351 3.8159 3.8159 3.9349 3.9349 4.2947 4.2947 4.4418 4.4418 4.5742 4.5742 4.7796 4.7796 4.9509 4.9509 5.0732 5.0732 5.4538 5.4538 5.5186 5.5186 5.6538 5.6538 6.4771 6.4771 8.6228 8.6228 11.1636 11.1636 12.3054 12.3054 12.5900 12.5900 12.6162 12.6162 12.9437 12.9437 k = 0.2778 0.3275 0.0000 ( 4495 PWs) bands (ev): -22.3136 -22.3136 -13.8839 -13.8839 -11.7326 -11.7326 -11.7053 -11.7053 -11.6968 -11.6968 -6.0218 -6.0218 -5.7632 -5.7632 -5.7578 -5.7578 -2.6357 -2.6357 0.7974 0.7974 0.8993 0.8994 0.9053 0.9054 1.9640 1.9640 2.7754 2.7754 2.8064 2.8064 2.8524 2.8524 2.9121 2.9121 3.0304 3.0305 3.8201 3.8201 3.9435 3.9435 4.2715 4.2716 4.4409 4.4409 4.5672 4.5672 4.7670 4.7670 4.9375 4.9375 5.0809 5.0809 5.4432 5.4433 5.5236 5.5236 5.6523 5.6523 6.5038 6.5038 8.7165 8.7165 11.1419 11.1419 12.2803 12.2803 12.5499 12.5499 12.5749 12.5749 12.8772 12.8772 k = 0.2889 0.3406 0.0000 ( 4495 PWs) bands (ev): -22.3135 -22.3135 -13.8803 -13.8803 -11.7349 -11.7349 -11.7071 -11.7071 -11.7009 -11.7008 -6.0203 -6.0203 -5.7620 -5.7620 -5.7558 -5.7558 -2.6372 -2.6372 0.8151 0.8151 0.9151 0.9152 0.9265 0.9265 1.9564 1.9564 2.7584 2.7584 2.7931 2.7932 2.8460 2.8460 2.9044 2.9045 3.0249 3.0249 3.8238 3.8238 3.9525 3.9526 4.2503 4.2504 4.4401 4.4401 4.5603 4.5603 4.7534 4.7534 4.9237 4.9237 5.0893 5.0893 5.4328 5.4328 5.5289 5.5289 5.6516 5.6516 6.5294 6.5294 8.8112 8.8112 11.1212 11.1212 12.2536 12.2536 12.5119 12.5119 12.5355 12.5355 12.8090 12.8090 k = 0.3000 0.3537 0.0000 ( 4503 PWs) bands (ev): -22.3134 -22.3134 -13.8766 -13.8766 -11.7372 -11.7372 -11.7089 -11.7088 -11.7048 -11.7048 -6.0187 -6.0187 -5.7608 -5.7608 -5.7538 -5.7538 -2.6387 -2.6387 0.8323 0.8324 0.9302 0.9302 0.9483 0.9483 1.9487 1.9487 2.7411 2.7411 2.7812 2.7812 2.8397 2.8397 2.8971 2.8972 3.0184 3.0184 3.8270 3.8270 3.9620 3.9620 4.2312 4.2312 4.4393 4.4393 4.5533 4.5533 4.7389 4.7389 4.9097 4.9097 5.0983 5.0983 5.4226 5.4226 5.5343 5.5343 5.6517 5.6517 6.5539 6.5539 8.9068 8.9068 11.1014 11.1014 12.2247 12.2247 12.4758 12.4758 12.4979 12.4979 12.7399 12.7399 k = 0.3111 0.3668 0.0000 ( 4522 PWs) bands (ev): -22.3134 -22.3134 -13.8729 -13.8729 -11.7396 -11.7396 -11.7108 -11.7106 -11.7087 -11.7085 -6.0172 -6.0172 -5.7597 -5.7597 -5.7516 -5.7516 -2.6403 -2.6403 0.8490 0.8490 0.9448 0.9448 0.9702 0.9702 1.9410 1.9410 2.7243 2.7243 2.7703 2.7703 2.8335 2.8335 2.8901 2.8901 3.0109 3.0109 3.8295 3.8295 3.9720 3.9720 4.2143 4.2143 4.4387 4.4387 4.5462 4.5462 4.7236 4.7236 4.8956 4.8956 5.1077 5.1077 5.4126 5.4126 5.5399 5.5399 5.6523 5.6523 6.5772 6.5772 9.0033 9.0033 11.0826 11.0826 12.1927 12.1927 12.4417 12.4417 12.4622 12.4623 12.6710 12.6710 k = 0.3222 0.3799 0.0000 ( 4522 PWs) bands (ev): -22.3133 -22.3133 -13.8692 -13.8692 -11.7422 -11.7422 -11.7132 -11.7130 -11.7117 -11.7115 -6.0156 -6.0156 -5.7586 -5.7586 -5.7494 -5.7494 -2.6418 -2.6418 0.8650 0.8650 0.9589 0.9589 0.9919 0.9919 1.9331 1.9331 2.7083 2.7083 2.7602 2.7602 2.8273 2.8274 2.8834 2.8834 3.0024 3.0024 3.8313 3.8313 3.9824 3.9824 4.1998 4.1998 4.4382 4.4382 4.5391 4.5391 4.7077 4.7077 4.8816 4.8816 5.1175 5.1175 5.4031 5.4032 5.5456 5.5456 5.6535 5.6535 6.5994 6.5994 9.1007 9.1007 11.0649 11.0649 12.1566 12.1566 12.4096 12.4096 12.4285 12.4285 12.6035 12.6035 k = 0.3333 0.3930-0.0000 ( 4530 PWs) bands (ev): -22.3132 -22.3132 -13.8656 -13.8656 -11.7450 -11.7450 -11.7164 -11.7163 -11.7136 -11.7135 -6.0140 -6.0140 -5.7575 -5.7575 -5.7471 -5.7471 -2.6433 -2.6433 0.8803 0.8804 0.9725 0.9726 1.0132 1.0132 1.9253 1.9253 2.6934 2.6934 2.7509 2.7509 2.8213 2.8213 2.8770 2.8770 2.9931 2.9931 3.8321 3.8321 3.9932 3.9933 4.1876 4.1876 4.4377 4.4377 4.5320 4.5320 4.6913 4.6913 4.8677 4.8677 5.1274 5.1275 5.3941 5.3941 5.5514 5.5514 5.6551 5.6551 6.6204 6.6204 9.1988 9.1988 11.0481 11.0481 12.1150 12.1150 12.3795 12.3795 12.3966 12.3966 12.5392 12.5392 k = 0.3444 0.4061 0.0000 ( 4530 PWs) bands (ev): -22.3132 -22.3132 -13.8621 -13.8621 -11.7478 -11.7478 -11.7195 -11.7195 -11.7152 -11.7151 -6.0124 -6.0124 -5.7564 -5.7564 -5.7448 -5.7448 -2.6449 -2.6449 0.8950 0.8950 0.9856 0.9856 1.0341 1.0341 1.9175 1.9176 2.6798 2.6798 2.7423 2.7423 2.8154 2.8154 2.8709 2.8709 2.9830 2.9830 3.8321 3.8321 4.0045 4.0045 4.1778 4.1778 4.4374 4.4374 4.5249 4.5249 4.6746 4.6746 4.8540 4.8540 5.1375 5.1375 5.3856 5.3856 5.5572 5.5572 5.6570 5.6570 6.6402 6.6402 9.2978 9.2978 11.0324 11.0324 12.0664 12.0664 12.3513 12.3513 12.3665 12.3665 12.4798 12.4798 k = 0.3556 0.4192 0.0000 ( 4518 PWs) bands (ev): -22.3131 -22.3131 -13.8586 -13.8586 -11.7509 -11.7509 -11.7225 -11.7224 -11.7166 -11.7166 -6.0109 -6.0109 -5.7553 -5.7553 -5.7425 -5.7425 -2.6464 -2.6464 0.9088 0.9088 0.9981 0.9981 1.0544 1.0544 1.9100 1.9100 2.6675 2.6675 2.7344 2.7344 2.8097 2.8097 2.8651 2.8651 2.9722 2.9722 3.8312 3.8312 4.0160 4.0161 4.1704 4.1704 4.4373 4.4373 4.5177 4.5177 4.6577 4.6577 4.8408 4.8408 5.1476 5.1477 5.3775 5.3776 5.5630 5.5630 5.6592 5.6592 6.6588 6.6588 9.3975 9.3975 11.0176 11.0176 12.0097 12.0097 12.3250 12.3250 12.3383 12.3383 12.4270 12.4270 k = 0.3667 0.4323 0.0000 ( 4518 PWs) bands (ev): -22.3130 -22.3130 -13.8552 -13.8552 -11.7540 -11.7540 -11.7251 -11.7251 -11.7180 -11.7180 -6.0094 -6.0094 -5.7544 -5.7544 -5.7402 -5.7402 -2.6478 -2.6478 0.9218 0.9219 1.0100 1.0100 1.0739 1.0739 1.9026 1.9026 2.6567 2.6567 2.7272 2.7272 2.8041 2.8041 2.8597 2.8597 2.9609 2.9609 3.8294 3.8294 4.0278 4.0279 4.1650 4.1650 4.4373 4.4373 4.5106 4.5106 4.6406 4.6406 4.8280 4.8280 5.1576 5.1576 5.3700 5.3701 5.5687 5.5687 5.6615 5.6615 6.6760 6.6760 9.4979 9.4979 11.0040 11.0040 11.9443 11.9443 12.3005 12.3005 12.3120 12.3120 12.3816 12.3816 k = 0.3778 0.4454 0.0000 ( 4514 PWs) bands (ev): -22.3130 -22.3130 -13.8520 -13.8520 -11.7572 -11.7572 -11.7275 -11.7274 -11.7193 -11.7193 -6.0079 -6.0079 -5.7534 -5.7534 -5.7380 -5.7380 -2.6493 -2.6493 0.9340 0.9340 1.0211 1.0211 1.0924 1.0924 1.8955 1.8955 2.6473 2.6473 2.7207 2.7207 2.7987 2.7987 2.8546 2.8546 2.9492 2.9492 3.8269 3.8269 4.0398 4.0398 4.1616 4.1616 4.4374 4.4374 4.5034 4.5035 4.6235 4.6235 4.8157 4.8157 5.1672 5.1672 5.3630 5.3631 5.5741 5.5742 5.6639 5.6639 6.6920 6.6920 9.5990 9.5990 10.9913 10.9913 11.8706 11.8706 12.2776 12.2776 12.2876 12.2876 12.3437 12.3437 k = 0.3889 0.4585-0.0000 ( 4506 PWs) bands (ev): -22.3129 -22.3129 -13.8490 -13.8490 -11.7603 -11.7603 -11.7295 -11.7295 -11.7206 -11.7205 -6.0065 -6.0065 -5.7525 -5.7525 -5.7358 -5.7358 -2.6506 -2.6506 0.9453 0.9453 1.0314 1.0314 1.1099 1.1099 1.8887 1.8887 2.6393 2.6393 2.7149 2.7149 2.7935 2.7935 2.8498 2.8499 2.9373 2.9373 3.8239 3.8239 4.0519 4.0519 4.1599 4.1599 4.4378 4.4378 4.4965 4.4965 4.6065 4.6065 4.8042 4.8042 5.1766 5.1766 5.3566 5.3567 5.5794 5.5794 5.6662 5.6662 6.7067 6.7067 9.7006 9.7006 10.9797 10.9797 11.7897 11.7897 12.2563 12.2563 12.2653 12.2654 12.3125 12.3125 k = 0.4000 0.4716-0.0000 ( 4506 PWs) bands (ev): -22.3129 -22.3129 -13.8462 -13.8462 -11.7634 -11.7634 -11.7313 -11.7313 -11.7217 -11.7217 -6.0052 -6.0052 -5.7517 -5.7517 -5.7337 -5.7337 -2.6519 -2.6519 0.9556 0.9556 1.0409 1.0409 1.1261 1.1261 1.8824 1.8824 2.6327 2.6327 2.7099 2.7099 2.7885 2.7885 2.8455 2.8455 2.9254 2.9255 3.8203 3.8203 4.0639 4.0639 4.1594 4.1594 4.4383 4.4383 4.4897 4.4897 4.5898 4.5898 4.7934 4.7934 5.1856 5.1856 5.3507 5.3507 5.5844 5.5844 5.6686 5.6686 6.7201 6.7201 9.8028 9.8028 10.9692 10.9692 11.7029 11.7029 12.2363 12.2363 12.2454 12.2454 12.2869 12.2869 k = 0.4111 0.4847 0.0000 ( 4498 PWs) bands (ev): -22.3128 -22.3128 -13.8436 -13.8436 -11.7663 -11.7663 -11.7329 -11.7329 -11.7227 -11.7227 -6.0040 -6.0040 -5.7510 -5.7510 -5.7318 -5.7318 -2.6531 -2.6531 0.9649 0.9649 1.0496 1.0496 1.1410 1.1411 1.8766 1.8766 2.6273 2.6273 2.7055 2.7056 2.7838 2.7838 2.8416 2.8416 2.9138 2.9138 3.8166 3.8166 4.0757 4.0757 4.1599 4.1599 4.4392 4.4392 4.4832 4.4832 4.5734 4.5734 4.7834 4.7834 5.1941 5.1941 5.3454 5.3454 5.5891 5.5891 5.6709 5.6709 6.7321 6.7321 9.9053 9.9053 10.9598 10.9598 11.6116 11.6116 12.2180 12.2180 12.2276 12.2276 12.2659 12.2659 k = 0.4222 0.4978-0.0000 ( 4494 PWs) bands (ev): -22.3128 -22.3128 -13.8412 -13.8412 -11.7691 -11.7691 -11.7342 -11.7342 -11.7236 -11.7236 -6.0029 -6.0029 -5.7503 -5.7503 -5.7300 -5.7300 -2.6542 -2.6542 0.9733 0.9733 1.0573 1.0573 1.1545 1.1545 1.8713 1.8713 2.6231 2.6231 2.7019 2.7019 2.7794 2.7794 2.8381 2.8382 2.9026 2.9027 3.8129 3.8129 4.0872 4.0872 4.1610 4.1610 4.4404 4.4404 4.4771 4.4771 4.5576 4.5576 4.7744 4.7744 5.2018 5.2019 5.3406 5.3406 5.5933 5.5933 5.6730 5.6730 6.7427 6.7427 10.0080 10.0080 10.9514 10.9514 11.5169 11.5169 12.2016 12.2016 12.2121 12.2121 12.2486 12.2486 k = 0.4333 0.5109-0.0000 ( 4506 PWs) bands (ev): -22.3127 -22.3127 -13.8391 -13.8391 -11.7715 -11.7715 -11.7354 -11.7354 -11.7244 -11.7244 -6.0020 -6.0020 -5.7497 -5.7497 -5.7285 -5.7285 -2.6552 -2.6552 0.9805 0.9805 1.0640 1.0640 1.1664 1.1664 1.8666 1.8666 2.6200 2.6200 2.6990 2.6990 2.7752 2.7752 2.8351 2.8351 2.8922 2.8922 3.8092 3.8092 4.0982 4.0982 4.1625 4.1625 4.4420 4.4420 4.4715 4.4715 4.5424 4.5424 4.7664 4.7664 5.2089 5.2089 5.3362 5.3363 5.5970 5.5971 5.6749 5.6749 6.7519 6.7519 10.1106 10.1106 10.9441 10.9441 11.4200 11.4200 12.1873 12.1873 12.1986 12.1986 12.2343 12.2343 k = 0.4444 0.5240 0.0000 ( 4538 PWs) bands (ev): -22.3127 -22.3127 -13.8373 -13.8373 -11.7737 -11.7737 -11.7363 -11.7363 -11.7251 -11.7251 -6.0012 -6.0012 -5.7493 -5.7493 -5.7271 -5.7271 -2.6561 -2.6561 0.9867 0.9867 1.0698 1.0698 1.1767 1.1767 1.8625 1.8625 2.6177 2.6177 2.6967 2.6967 2.7715 2.7715 2.8326 2.8326 2.8827 2.8827 3.8059 3.8059 4.1084 4.1084 4.1639 4.1639 4.4439 4.4439 4.4666 4.4666 4.5280 4.5280 4.7595 4.7595 5.2150 5.2151 5.3324 5.3324 5.6003 5.6003 5.6765 5.6765 6.7596 6.7596 10.2127 10.2127 10.9379 10.9379 11.3218 11.3218 12.1751 12.1751 12.1872 12.1872 12.2226 12.2226 k = 0.4556 0.5371-0.0000 ( 4538 PWs) bands (ev): -22.3127 -22.3127 -13.8358 -13.8358 -11.7756 -11.7756 -11.7371 -11.7371 -11.7256 -11.7256 -6.0005 -6.0005 -5.7488 -5.7488 -5.7259 -5.7259 -2.6568 -2.6568 0.9918 0.9918 1.0746 1.0746 1.1852 1.1852 1.8591 1.8591 2.6162 2.6162 2.6950 2.6950 2.7682 2.7682 2.8306 2.8306 2.8745 2.8745 3.8030 3.8030 4.1176 4.1176 4.1651 4.1652 4.4462 4.4462 4.4629 4.4629 4.5146 4.5146 4.7538 4.7538 5.2203 5.2203 5.3292 5.3292 5.6030 5.6031 5.6779 5.6779 6.7660 6.7660 10.3136 10.3136 10.9329 10.9329 11.2236 11.2236 12.1651 12.1651 12.1778 12.1779 12.2133 12.2133 k = 0.4667 0.5502 0.0000 ( 4534 PWs) bands (ev): -22.3127 -22.3127 -13.8346 -13.8346 -11.7770 -11.7770 -11.7376 -11.7376 -11.7261 -11.7261 -6.0000 -6.0000 -5.7485 -5.7485 -5.7250 -5.7250 -2.6573 -2.6573 0.9958 0.9958 1.0783 1.0783 1.1918 1.1918 1.8564 1.8564 2.6152 2.6152 2.6939 2.6939 2.7654 2.7654 2.8290 2.8290 2.8679 2.8679 3.8007 3.8007 4.1255 4.1255 4.1660 4.1660 4.4483 4.4483 4.4611 4.4611 4.5023 4.5023 4.7493 4.7493 5.2246 5.2246 5.3267 5.3267 5.6052 5.6052 5.6791 5.6791 6.7710 6.7710 10.4116 10.4116 10.9289 10.9289 11.1274 11.1274 12.1574 12.1574 12.1706 12.1706 12.2063 12.2063 k = 0.4778 0.5633-0.0000 ( 4522 PWs) bands (ev): -22.3127 -22.3127 -13.8338 -13.8338 -11.7781 -11.7781 -11.7381 -11.7381 -11.7264 -11.7264 -5.9996 -5.9996 -5.7483 -5.7483 -5.7243 -5.7243 -2.6577 -2.6577 0.9987 0.9987 1.0810 1.0810 1.1967 1.1967 1.8545 1.8545 2.6146 2.6146 2.6932 2.6932 2.7633 2.7633 2.8280 2.8280 2.8629 2.8629 3.7992 3.7992 4.1318 4.1318 4.1664 4.1664 4.4493 4.4493 4.4623 4.4623 4.4913 4.4913 4.7461 4.7461 5.2277 5.2277 5.3249 5.3249 5.6068 5.6068 5.6799 5.6799 6.7746 6.7746 10.5031 10.5031 10.9261 10.9261 11.0370 11.0370 12.1519 12.1519 12.1653 12.1653 12.2013 12.2013 k = 0.4889 0.5764 0.0000 ( 4522 PWs) bands (ev): -22.3127 -22.3127 -13.8333 -13.8333 -11.7787 -11.7787 -11.7383 -11.7383 -11.7266 -11.7266 -5.9993 -5.9993 -5.7481 -5.7481 -5.7239 -5.7239 -2.6580 -2.6580 1.0004 1.0004 1.0826 1.0826 1.1996 1.1996 1.8534 1.8534 2.6143 2.6143 2.6928 2.6928 2.7620 2.7620 2.8273 2.8273 2.8598 2.8598 3.7981 3.7981 4.1359 4.1359 4.1664 4.1664 4.4493 4.4493 4.4665 4.4666 4.4817 4.4817 4.7442 4.7442 5.2296 5.2296 5.3238 5.3238 5.6078 5.6078 5.6804 5.6804 6.7767 6.7767 10.5780 10.5780 10.9244 10.9244 10.9628 10.9628 12.1486 12.1486 12.1622 12.1622 12.1983 12.1984 k = 0.5000 0.5895 0.0000 ( 4534 PWs) bands (ev): -22.3127 -22.3127 -13.8331 -13.8331 -11.7790 -11.7790 -11.7384 -11.7384 -11.7266 -11.7266 -5.9993 -5.9993 -5.7481 -5.7481 -5.7238 -5.7238 -2.6581 -2.6581 1.0010 1.0010 1.0832 1.0832 1.2005 1.2005 1.8530 1.8530 2.6142 2.6142 2.6927 2.6927 2.7615 2.7615 2.8271 2.8271 2.8588 2.8588 3.7978 3.7978 4.1373 4.1373 4.1663 4.1663 4.4491 4.4491 4.4716 4.4716 4.4750 4.4750 4.7435 4.7435 5.2303 5.2303 5.3234 5.3234 5.6081 5.6081 5.6806 5.6806 6.7774 6.7774 10.6106 10.6106 10.9237 10.9237 10.9305 10.9305 12.1475 12.1475 12.1611 12.1611 12.1974 12.1974 k = 0.5000 0.5895 0.0000 ( 4534 PWs) bands (ev): -22.3127 -22.3127 -13.8331 -13.8331 -11.7790 -11.7790 -11.7384 -11.7384 -11.7266 -11.7266 -5.9993 -5.9993 -5.7481 -5.7481 -5.7238 -5.7238 -2.6581 -2.6581 1.0010 1.0010 1.0832 1.0832 1.2005 1.2005 1.8530 1.8530 2.6142 2.6142 2.6927 2.6927 2.7615 2.7615 2.8271 2.8271 2.8588 2.8588 3.7978 3.7978 4.1373 4.1373 4.1663 4.1663 4.4491 4.4491 4.4716 4.4716 4.4750 4.4750 4.7435 4.7435 5.2303 5.2303 5.3234 5.3234 5.6081 5.6081 5.6806 5.6806 6.7774 6.7774 10.6106 10.6106 10.9237 10.9237 10.9305 10.9305 12.1475 12.1475 12.1611 12.1611 12.1974 12.1974 k = 0.4915 0.5966 0.0111 ( 4520 PWs) bands (ev): -22.3127 -22.3127 -13.8332 -13.8331 -11.7796 -11.7781 -11.7391 -11.7376 -11.7267 -11.7266 -6.0003 -5.9983 -5.7482 -5.7482 -5.7248 -5.7227 -2.6578 -2.6577 0.9966 1.0032 1.0818 1.0820 1.1973 1.2040 1.8534 1.8534 2.6146 2.6148 2.6907 2.6952 2.7595 2.7641 2.8261 2.8274 2.8577 2.8625 3.7890 3.8062 4.1297 4.1397 4.1613 4.1773 4.4445 4.4500 4.4598 4.4758 4.4779 4.4851 4.7391 4.7490 5.2276 5.2310 5.3092 5.3348 5.6070 5.6106 5.6707 5.6934 6.7759 6.7765 10.6106 10.6117 10.9222 10.9226 10.9291 10.9317 12.1318 12.1536 12.1579 12.1602 12.1987 12.2150 k = 0.4831 0.6038 0.0222 ( 4516 PWs) bands (ev): -22.3127 -22.3127 -13.8333 -13.8333 -11.7802 -11.7771 -11.7398 -11.7368 -11.7266 -11.7264 -6.0015 -5.9975 -5.7485 -5.7485 -5.7259 -5.7217 -2.6568 -2.6568 0.9898 1.0031 1.0782 1.0783 1.1945 1.2073 1.8547 1.8548 2.6158 2.6162 2.6895 2.6981 2.7581 2.7667 2.8245 2.8268 2.8594 2.8689 3.7799 3.8142 4.1214 4.1324 4.1665 4.1894 4.4389 4.4443 4.4511 4.4819 4.4832 4.4985 4.7359 4.7554 5.2224 5.2301 5.2940 5.3421 5.6055 5.6161 5.6631 5.7097 6.7717 6.7729 10.6118 10.6139 10.9180 10.9189 10.9276 10.9327 12.1115 12.1346 12.1646 12.1685 12.2165 12.2370 k = 0.4746 0.6110 0.0333 ( 4510 PWs) bands (ev): -22.3127 -22.3127 -13.8336 -13.8335 -11.7806 -11.7760 -11.7405 -11.7360 -11.7265 -11.7261 -6.0028 -5.9967 -5.7490 -5.7490 -5.7269 -5.7207 -2.6553 -2.6552 0.9807 1.0006 1.0717 1.0733 1.1922 1.2101 1.8569 1.8570 2.6177 2.6185 2.6888 2.7009 2.7579 2.7691 2.8224 2.8256 2.8643 2.8778 3.7705 3.8216 4.1135 4.1218 4.1756 4.2019 4.4337 4.4347 4.4452 4.4894 4.4910 4.5119 4.7341 4.7627 5.2141 5.2279 5.2797 5.3447 5.6024 5.6250 5.6577 5.7296 6.7649 6.7667 10.6141 10.6171 10.9111 10.9126 10.9260 10.9336 12.0901 12.1128 12.1745 12.1832 12.2381 12.2600 k = 0.4661 0.6182 0.0445 ( 4506 PWs) bands (ev): -22.3127 -22.3127 -13.8339 -13.8338 -11.7808 -11.7748 -11.7411 -11.7353 -11.7264 -11.7257 -6.0042 -5.9961 -5.7497 -5.7497 -5.7280 -5.7197 -2.6531 -2.6530 0.9693 0.9955 1.0630 1.0671 1.1903 1.2121 1.8599 1.8600 2.6200 2.6215 2.6884 2.7030 2.7588 2.7710 2.8202 2.8237 2.8728 2.8897 3.7609 3.8281 4.1062 4.1110 4.1855 4.2142 4.4255 4.4292 4.4395 4.4960 4.5017 4.5247 4.7338 4.7708 5.2022 5.2243 5.2676 5.3429 5.5972 5.6319 5.6595 5.7526 6.7556 6.7580 10.6174 10.6213 10.9013 10.9035 10.9245 10.9344 12.0688 12.0909 12.1895 12.2023 12.2607 12.2832 k = 0.4576 0.6254 0.0556 ( 4506 PWs) bands (ev): -22.3127 -22.3127 -13.8344 -13.8343 -11.7809 -11.7734 -11.7416 -11.7346 -11.7262 -11.7252 -6.0057 -5.9956 -5.7507 -5.7505 -5.7290 -5.7187 -2.6504 -2.6502 0.9556 0.9876 1.0531 1.0601 1.1885 1.2130 1.8637 1.8640 2.6226 2.6251 2.6882 2.7040 2.7608 2.7723 2.8179 2.8214 2.8852 2.9048 3.7512 3.8336 4.0999 4.1008 4.1955 4.2263 4.4178 4.4256 4.4335 4.5030 4.5135 4.5364 4.7354 4.7797 5.1872 5.2195 5.2578 5.3377 5.5899 5.6294 5.6749 5.7782 6.7437 6.7468 10.6215 10.6262 10.8885 10.8916 10.9235 10.9355 12.0482 12.0695 12.2091 12.2255 12.2837 12.3064 k = 0.4492 0.6326 0.0667 ( 4518 PWs) bands (ev): -22.3127 -22.3127 -13.8350 -13.8348 -11.7809 -11.7719 -11.7421 -11.7340 -11.7260 -11.7244 -6.0072 -5.9953 -5.7518 -5.7516 -5.7301 -5.7179 -2.6471 -2.6469 0.9399 0.9765 1.0427 1.0525 1.1865 1.2128 1.8683 1.8687 2.6249 2.6292 2.6880 2.7037 2.7638 2.7732 2.8158 2.8188 2.9015 2.9232 3.7412 3.8379 4.0917 4.0946 4.2049 4.2379 4.4116 4.4231 4.4273 4.5103 4.5259 4.5465 4.7391 4.7892 5.1704 5.2135 5.2498 5.3301 5.5805 5.6216 5.6984 5.8056 6.7294 6.7331 10.6262 10.6314 10.8728 10.8770 10.9229 10.9369 12.0289 12.0493 12.2331 12.2527 12.3071 12.3297 k = 0.4407 0.6398 0.0778 ( 4514 PWs) bands (ev): -22.3127 -22.3127 -13.8356 -13.8354 -11.7807 -11.7703 -11.7425 -11.7335 -11.7257 -11.7235 -6.0089 -5.9951 -5.7531 -5.7528 -5.7311 -5.7170 -2.6432 -2.6430 0.9223 0.9621 1.0325 1.0443 1.1840 1.2112 1.8737 1.8743 2.6267 2.6336 2.6877 2.7024 2.7673 2.7741 2.8141 2.8161 2.9216 2.9453 3.7311 3.8406 4.0841 4.0904 4.2136 4.2490 4.4074 4.4212 4.4217 4.5181 4.5390 4.5546 4.7453 4.7995 5.1531 5.2066 5.2427 5.3213 5.5693 5.6117 5.7258 5.8345 6.7127 6.7172 10.6311 10.6363 10.8542 10.8601 10.9231 10.9388 12.0112 12.0305 12.2612 12.2836 12.3308 12.3529 k = 0.4322 0.6470 0.0889 ( 4506 PWs) bands (ev): -22.3127 -22.3127 -13.8364 -13.8361 -11.7804 -11.7686 -11.7429 -11.7330 -11.7253 -11.7224 -6.0106 -5.9949 -5.7545 -5.7541 -5.7322 -5.7162 -2.6389 -2.6386 0.9031 0.9447 1.0225 1.0357 1.1808 1.2085 1.8798 1.8806 2.6274 2.6379 2.6874 2.7003 2.7710 2.7753 2.8128 2.8136 2.9454 2.9708 3.7208 3.8416 4.0783 4.0874 4.2213 4.2595 4.4048 4.4156 4.4215 4.5261 4.5525 4.5604 4.7541 4.8103 5.1361 5.1988 5.2360 5.3119 5.5562 5.6005 5.7555 5.8644 6.6937 6.6991 10.6354 10.6400 10.8331 10.8413 10.9243 10.9416 11.9954 12.0136 12.2931 12.3177 12.3551 12.3763 k = 0.4237 0.6542 0.1000 ( 4504 PWs) bands (ev): -22.3128 -22.3128 -13.8372 -13.8370 -11.7800 -11.7668 -11.7432 -11.7327 -11.7249 -11.7211 -6.0124 -5.9949 -5.7561 -5.7555 -5.7332 -5.7155 -2.6341 -2.6338 0.8826 0.9248 1.0128 1.0266 1.1768 1.2044 1.8866 1.8877 2.6262 2.6415 2.6875 2.6978 2.7750 2.7772 2.8114 2.8120 2.9725 2.9996 3.7104 3.8405 4.0746 4.0856 4.2278 4.2692 4.4020 4.4125 4.4225 4.5344 4.5637 4.5662 4.7654 4.8215 5.1199 5.1905 5.2293 5.3025 5.5415 5.5880 5.7867 5.8950 6.6726 6.6788 10.6378 10.6408 10.8105 10.8222 10.9267 10.9453 11.9821 11.9990 12.3285 12.3540 12.3807 12.4000 k = 0.4237 0.6542 0.1000 ( 4504 PWs) bands (ev): -22.3128 -22.3128 -13.8372 -13.8370 -11.7800 -11.7668 -11.7432 -11.7327 -11.7249 -11.7211 -6.0124 -5.9949 -5.7561 -5.7555 -5.7332 -5.7155 -2.6341 -2.6338 0.8826 0.9248 1.0128 1.0266 1.1768 1.2044 1.8866 1.8877 2.6262 2.6415 2.6875 2.6978 2.7750 2.7772 2.8114 2.8120 2.9725 2.9996 3.7104 3.8405 4.0746 4.0856 4.2278 4.2692 4.4020 4.4125 4.4225 4.5344 4.5637 4.5662 4.7654 4.8215 5.1199 5.1905 5.2293 5.3025 5.5415 5.5880 5.7867 5.8950 6.6726 6.6788 10.6378 10.6408 10.8105 10.8222 10.9267 10.9453 11.9821 11.9990 12.3285 12.3540 12.3807 12.4000 k = 0.4091 0.6491 0.1079 ( 4504 PWs) bands (ev): -22.3128 -22.3128 -13.8380 -13.8377 -11.7795 -11.7653 -11.7433 -11.7324 -11.7246 -11.7200 -6.0137 -5.9950 -5.7573 -5.7566 -5.7341 -5.7152 -2.6304 -2.6301 0.8672 0.9094 1.0053 1.0195 1.1733 1.2006 1.8919 1.8933 2.6242 2.6436 2.6873 2.6969 2.7769 2.7793 2.8068 2.8166 2.9940 3.0223 3.7031 3.8387 4.0730 4.0847 4.2306 4.2758 4.3984 4.4132 4.4247 4.5407 4.5637 4.5775 4.7752 4.8299 5.1093 5.1842 5.2246 5.2958 5.5300 5.5783 5.8091 5.9166 6.6562 6.6631 10.6170 10.6204 10.7924 10.8055 10.9518 10.9711 11.9744 11.9903 12.3519 12.3785 12.4027 12.4230 k = 0.3945 0.6440 0.1157 ( 4504 PWs) bands (ev): -22.3128 -22.3128 -13.8390 -13.8387 -11.7788 -11.7637 -11.7433 -11.7320 -11.7241 -11.7187 -6.0152 -5.9953 -5.7587 -5.7578 -5.7351 -5.7151 -2.6265 -2.6261 0.8508 0.8928 0.9962 1.0113 1.1693 1.1959 1.8980 1.8998 2.6215 2.6451 2.6847 2.6987 2.7765 2.7817 2.8044 2.8235 3.0179 3.0474 3.6961 3.8362 4.0720 4.0838 4.2310 4.2823 4.3941 4.4162 4.4283 4.5478 4.5628 4.5893 4.7869 4.8390 5.0994 5.1774 5.2197 5.2893 5.5175 5.5679 5.8313 5.9379 6.6383 6.6460 10.5672 10.5730 10.7714 10.7839 11.0085 11.0283 11.9684 11.9831 12.3690 12.3976 12.4338 12.4585 k = 0.3799 0.6389 0.1236 ( 4508 PWs) bands (ev): -22.3128 -22.3128 -13.8402 -13.8399 -11.7778 -11.7619 -11.7432 -11.7314 -11.7237 -11.7171 -6.0167 -5.9958 -5.7601 -5.7590 -5.7362 -5.7152 -2.6222 -2.6218 0.8336 0.8752 0.9853 1.0017 1.1649 1.1908 1.9047 1.9070 2.6180 2.6458 2.6802 2.7024 2.7727 2.7847 2.8061 2.8327 3.0438 3.0745 3.6894 3.8331 4.0717 4.0828 4.2294 4.2886 4.3900 4.4208 4.4328 4.5546 4.5622 4.6011 4.8002 4.8485 5.0903 5.1704 5.2149 5.2828 5.5041 5.5566 5.8531 5.9586 6.6191 6.6278 10.5047 10.5127 10.7492 10.7610 11.0789 11.0990 11.9640 11.9776 12.3833 12.4120 12.4747 12.5015 k = 0.3653 0.6338 0.1314 ( 4512 PWs) bands (ev): -22.3129 -22.3129 -13.8416 -13.8413 -11.7767 -11.7600 -11.7430 -11.7305 -11.7231 -11.7153 -6.0182 -5.9964 -5.7617 -5.7602 -5.7375 -5.7155 -2.6177 -2.6173 0.8158 0.8570 0.9727 0.9905 1.1606 1.1855 1.9120 1.9149 2.6138 2.6454 2.6750 2.7064 2.7666 2.7885 2.8116 2.8442 3.0713 3.1031 3.6830 3.8293 4.0722 4.0819 4.2265 4.2945 4.3863 4.4266 4.4378 4.5566 4.5665 4.6127 4.8148 4.8584 5.0821 5.1633 5.2101 5.2763 5.4897 5.5447 5.8742 5.9786 6.5991 6.6087 10.4372 10.4470 10.7263 10.7377 11.1547 11.1751 11.9614 11.9737 12.3975 12.4256 12.5216 12.5493 k = 0.3507 0.6287 0.1393 ( 4515 PWs) bands (ev): -22.3129 -22.3129 -13.8432 -13.8429 -11.7754 -11.7581 -11.7427 -11.7294 -11.7225 -11.7134 -6.0198 -5.9972 -5.7634 -5.7615 -5.7388 -5.7160 -2.6130 -2.6125 0.7975 0.8383 0.9581 0.9777 1.1566 1.1802 1.9198 1.9235 2.6087 2.6433 2.6705 2.7095 2.7603 2.7926 2.8204 2.8579 3.1000 3.1329 3.6768 3.8248 4.0736 4.0812 4.2226 4.3001 4.3832 4.4334 4.4431 4.5545 4.5748 4.6239 4.8305 4.8686 5.0747 5.1564 5.2055 5.2700 5.4745 5.5320 5.8944 5.9975 6.5784 6.5893 10.3680 10.3791 10.7029 10.7140 11.2321 11.2529 11.9608 11.9716 12.4131 12.4400 12.5728 12.6008 k = 0.3361 0.6237 0.1472 ( 4517 PWs) bands (ev): -22.3129 -22.3129 -13.8449 -13.8446 -11.7741 -11.7563 -11.7422 -11.7281 -11.7217 -11.7112 -6.0214 -5.9981 -5.7651 -5.7628 -5.7404 -5.7168 -2.6080 -2.6076 0.7790 0.8192 0.9419 0.9631 1.1528 1.1752 1.9282 1.9327 2.6024 2.6392 2.6673 2.7106 2.7554 2.7966 2.8324 2.8734 3.1297 3.1636 3.6708 3.8195 4.0759 4.0807 4.2182 4.3054 4.3805 4.4408 4.4485 4.5516 4.5838 4.6345 4.8469 4.8789 5.0679 5.1498 5.2013 5.2637 5.4585 5.5188 5.9135 6.0151 6.5576 6.5696 10.2984 10.3106 10.6789 10.6898 11.3093 11.3305 11.9623 11.9716 12.4308 12.4561 12.6274 12.6555 k = 0.3214 0.6186 0.1550 ( 4527 PWs) bands (ev): -22.3130 -22.3130 -13.8468 -13.8465 -11.7726 -11.7547 -11.7416 -11.7266 -11.7207 -11.7089 -6.0231 -5.9992 -5.7668 -5.7641 -5.7420 -5.7177 -2.6029 -2.6024 0.7603 0.8001 0.9240 0.9469 1.1496 1.1706 1.9371 1.9424 2.5947 2.6332 2.6658 2.7093 2.7527 2.8004 2.8474 2.8907 3.1600 3.1948 3.6651 3.8134 4.0792 4.0806 4.2136 4.3106 4.3784 4.4485 4.4540 4.5484 4.5929 4.6444 4.8638 4.8891 5.0616 5.1437 5.1976 5.2577 5.4419 5.5050 5.9309 6.0309 6.5371 6.5503 10.2295 10.2425 10.6544 10.6653 11.3846 11.4063 11.9661 11.9739 12.4513 12.4745 12.6850 12.7128 k = 0.3068 0.6135 0.1629 ( 4528 PWs) bands (ev): -22.3130 -22.3130 -13.8489 -13.8486 -11.7712 -11.7532 -11.7408 -11.7251 -11.7192 -11.7064 -6.0247 -6.0004 -5.7686 -5.7654 -5.7437 -5.7189 -2.5976 -2.5971 0.7416 0.7809 0.9047 0.9292 1.1468 1.1665 1.9463 1.9527 2.5854 2.6258 2.6655 2.7061 2.7525 2.8040 2.8652 2.9096 3.1906 3.2263 3.6595 3.8065 4.0806 4.0836 4.2088 4.3156 4.3768 4.4558 4.4598 4.5450 4.6020 4.6534 4.8809 4.8991 5.0555 5.1385 5.1944 5.2520 5.4247 5.4907 5.9465 6.0444 6.5174 6.5317 10.1618 10.1754 10.6297 10.6404 11.4566 11.4789 11.9724 11.9792 12.4754 12.4959 12.7451 12.7725 k = 0.2922 0.6084 0.1707 ( 4524 PWs) bands (ev): -22.3131 -22.3131 -13.8510 -13.8507 -11.7697 -11.7521 -11.7399 -11.7237 -11.7172 -11.7037 -6.0263 -6.0018 -5.7704 -5.7667 -5.7455 -5.7202 -2.5922 -2.5917 0.7230 0.7620 0.8842 0.9101 1.1445 1.1629 1.9559 1.9633 2.5747 2.6170 2.6658 2.7024 2.7538 2.8075 2.8852 2.9298 3.2214 3.2578 3.6541 3.7991 4.0813 4.0888 4.2042 4.3206 4.3757 4.4617 4.4670 4.5415 4.6109 4.6615 4.8976 4.9088 5.0496 5.1343 5.1919 5.2468 5.4071 5.4761 5.9597 6.0551 6.4993 6.5143 10.0956 10.1096 10.6049 10.6154 11.5237 11.5468 11.9812 11.9886 12.5038 12.5210 12.8073 12.8343 k = 0.2776 0.6033 0.1786 ( 4521 PWs) bands (ev): -22.3131 -22.3131 -13.8533 -13.8529 -11.7682 -11.7511 -11.7388 -11.7226 -11.7146 -11.7009 -6.0279 -6.0032 -5.7722 -5.7680 -5.7474 -5.7217 -2.5866 -2.5862 0.7047 0.7433 0.8628 0.8900 1.1427 1.1598 1.9659 1.9744 2.5626 2.6071 2.6665 2.6994 2.7561 2.8108 2.9071 2.9512 3.2520 3.2891 3.6489 3.7909 4.0824 4.0949 4.1999 4.3256 4.3752 4.4663 4.4749 4.5382 4.6193 4.6686 4.9126 4.9191 5.0437 5.1313 5.1897 5.2422 5.3892 5.4612 5.9702 6.0625 6.4833 6.4987 10.0312 10.0455 10.5800 10.5903 11.5843 11.6083 11.9927 12.0032 12.5374 12.5505 12.8713 12.8977 k = 0.2630 0.5983 0.1864 ( 4529 PWs) bands (ev): -22.3132 -22.3132 -13.8556 -13.8552 -11.7668 -11.7504 -11.7376 -11.7217 -11.7115 -11.6979 -6.0294 -6.0048 -5.7740 -5.7692 -5.7494 -5.7234 -2.5811 -2.5806 0.6867 0.7250 0.8407 0.8690 1.1413 1.1571 1.9761 1.9858 2.5496 2.5957 2.6676 2.6976 2.7589 2.8139 2.9306 2.9736 3.2824 3.3200 3.6438 3.7821 4.0841 4.1019 4.1958 4.3306 4.3753 4.4702 4.4830 4.5350 4.6273 4.6746 4.9223 4.9327 5.0382 5.1295 5.1878 5.2384 5.3711 5.4460 5.9774 6.0658 6.4703 6.4855 9.9689 9.9834 10.5553 10.5653 11.6368 11.6617 12.0079 12.0230 12.5768 12.5853 12.9367 12.9624 k = 0.2484 0.5932 0.1943 ( 4534 PWs) bands (ev): -22.3132 -22.3132 -13.8579 -13.8576 -11.7654 -11.7499 -11.7363 -11.7209 -11.7081 -11.6949 -6.0309 -6.0065 -5.7757 -5.7704 -5.7513 -5.7253 -2.5755 -2.5750 0.6693 0.7072 0.8182 0.8475 1.1402 1.1548 1.9866 1.9974 2.5358 2.5831 2.6689 2.6971 2.7620 2.8168 2.9552 2.9968 3.3122 3.3502 3.6389 3.7728 4.0864 4.1095 4.1922 4.3354 4.3761 4.4734 4.4909 4.5325 4.6346 4.6795 4.9284 4.9472 5.0336 5.1290 5.1856 5.2359 5.3531 5.4309 5.9812 6.0647 6.4606 6.4749 9.9088 9.9233 10.5309 10.5406 11.6802 11.7060 12.0273 12.0478 12.6226 12.6261 13.0032 13.0281 k = 0.2338 0.5881 0.2021 ( 4537 PWs) bands (ev): -22.3133 -22.3133 -13.8602 -13.8599 -11.7641 -11.7495 -11.7349 -11.7202 -11.7044 -11.6918 -6.0323 -6.0083 -5.7773 -5.7715 -5.7534 -5.7272 -2.5699 -2.5695 0.6524 0.6899 0.7955 0.8256 1.1393 1.1528 1.9973 2.0093 2.5214 2.5694 2.6706 2.6978 2.7652 2.8195 2.9807 3.0207 3.3415 3.3797 3.6341 3.7630 4.0891 4.1178 4.1890 4.3399 4.3778 4.4760 4.4982 4.5308 4.6411 4.6834 4.9320 4.9604 5.0311 5.1296 5.1827 5.2348 5.3356 5.4157 5.9812 6.0590 6.4547 6.4675 9.8512 9.8656 10.5069 10.5163 11.7144 11.7408 12.0507 12.0765 12.6734 12.6754 13.0703 13.0944 k = 0.2192 0.5830 0.2100 ( 4537 PWs) bands (ev): -22.3133 -22.3133 -13.8626 -13.8623 -11.7629 -11.7493 -11.7335 -11.7196 -11.7005 -11.6887 -6.0336 -6.0102 -5.7789 -5.7725 -5.7554 -5.7293 -2.5643 -2.5639 0.6362 0.6734 0.7730 0.8038 1.1388 1.1512 2.0083 2.0214 2.5067 2.5549 2.6727 2.6994 2.7684 2.8219 3.0068 3.0450 3.3700 3.4080 3.6295 3.7529 4.0924 4.1264 4.1863 4.3443 4.3803 4.4778 4.5046 4.5307 4.6469 4.6863 4.9327 4.9715 5.0317 5.1310 5.1784 5.2354 5.3188 5.4008 5.9775 6.0489 6.4524 6.4633 9.7962 9.8104 10.4836 10.4926 11.7405 11.7669 12.0771 12.1074 12.7277 12.7347 13.1376 13.1609 k = 0.2046 0.5779 0.2178 ( 4532 PWs) bands (ev): -22.3134 -22.3134 -13.8649 -13.8646 -11.7617 -11.7491 -11.7321 -11.7190 -11.6966 -11.6855 -6.0348 -6.0120 -5.7804 -5.7735 -5.7573 -5.7315 -2.5589 -2.5585 0.6207 0.6575 0.7509 0.7822 1.1384 1.1498 2.0193 2.0337 2.4917 2.5397 2.6752 2.7017 2.7717 2.8241 3.0332 3.0695 3.3976 3.4350 3.6253 3.7426 4.0962 4.1352 4.1844 4.3484 4.3837 4.4787 4.5097 4.5328 4.6518 4.6883 4.9304 4.9804 5.0360 5.1329 5.1723 5.2375 5.3032 5.3861 5.9702 6.0349 6.4534 6.4624 9.7439 9.7578 10.4611 10.4697 11.7599 11.7857 12.1050 12.1386 12.7885 12.8005 13.2046 13.2271 k = 0.1899 0.5728 0.2257 ( 4530 PWs) bands (ev): -22.3134 -22.3134 -13.8671 -13.8669 -11.7606 -11.7490 -11.7307 -11.7185 -11.6927 -11.6824 -6.0359 -6.0140 -5.7818 -5.7744 -5.7592 -5.7338 -2.5536 -2.5532 0.6060 0.6423 0.7294 0.7610 1.1382 1.1486 2.0305 2.0460 2.4767 2.5240 2.6781 2.7045 2.7750 2.8260 3.0597 3.0941 3.4241 3.4604 3.6215 3.7320 4.1003 4.1435 4.1838 4.3523 4.3875 4.4785 4.5136 4.5372 4.6557 4.6894 4.9255 4.9877 5.0433 5.1349 5.1642 5.2407 5.2893 5.3719 5.9599 6.0176 6.4570 6.4644 9.6946 9.7081 10.4395 10.4476 11.7743 11.7990 12.1331 12.1687 12.8555 12.8720 13.2708 13.2927 k = 0.1753 0.5678 0.2336 ( 4522 PWs) bands (ev): -22.3134 -22.3134 -13.8693 -13.8691 -11.7596 -11.7489 -11.7293 -11.7180 -11.6888 -11.6794 -6.0369 -6.0160 -5.7831 -5.7753 -5.7610 -5.7361 -2.5484 -2.5481 0.5922 0.6280 0.7088 0.7405 1.1381 1.1476 2.0419 2.0583 2.4616 2.5080 2.6813 2.7074 2.7782 2.8275 3.0859 3.1185 3.4495 3.4839 3.6183 3.7214 4.1045 4.1503 4.1852 4.3563 4.3915 4.4772 4.5174 4.5431 4.6587 4.6899 4.9188 4.9941 5.0522 5.1368 5.1540 5.2442 5.2779 5.3583 5.9471 5.9981 6.4626 6.4690 9.6484 9.6613 10.4190 10.4266 11.7849 11.8083 12.1603 12.1968 12.9275 12.9480 13.3357 13.3570 k = 0.1607 0.5627 0.2414 ( 4524 PWs) bands (ev): -22.3135 -22.3135 -13.8714 -13.8712 -11.7586 -11.7489 -11.7279 -11.7175 -11.6851 -11.6765 -6.0377 -6.0179 -5.7842 -5.7761 -5.7627 -5.7385 -2.5435 -2.5432 0.5794 0.6143 0.6893 0.7209 1.1382 1.1468 2.0532 2.0706 2.4468 2.4919 2.6848 2.7105 2.7814 2.8287 3.1116 3.1425 3.4736 3.5049 3.6162 3.7109 4.1087 4.1545 4.1898 4.3604 4.3952 4.4749 4.5218 4.5498 4.6606 4.6900 4.9110 5.0004 5.0613 5.1371 5.1430 5.2468 5.2700 5.3456 5.9323 5.9770 6.4696 6.4756 9.6053 9.6176 10.3997 10.4067 11.7928 11.8146 12.1861 12.2223 13.0033 13.0275 13.3984 13.4195 k = 0.1461 0.5576 0.2493 ( 4532 PWs) bands (ev): -22.3135 -22.3135 -13.8734 -13.8732 -11.7577 -11.7490 -11.7266 -11.7171 -11.6814 -11.6737 -6.0384 -6.0199 -5.7853 -5.7769 -5.7642 -5.7409 -2.5389 -2.5386 0.5676 0.6014 0.6712 0.7022 1.1383 1.1460 2.0646 2.0828 2.4321 2.4758 2.6884 2.7136 2.7846 2.8295 3.1365 3.1658 3.4963 3.5228 3.6156 3.7007 4.1127 4.1557 4.1978 4.3648 4.3982 4.4715 4.5274 4.5567 4.6615 4.6897 4.9031 5.0068 5.0695 5.1272 5.1403 5.2460 5.2672 5.3340 5.9164 5.9551 6.4774 6.4835 9.5656 9.5772 10.3817 10.3882 11.7987 11.8187 12.2101 12.2453 13.0817 13.1090 13.4584 13.4795 k = 0.1315 0.5525 0.2571 ( 4530 PWs) bands (ev): -22.3136 -22.3136 -13.8752 -13.8750 -11.7568 -11.7491 -11.7253 -11.7168 -11.6780 -11.6711 -6.0389 -6.0219 -5.7861 -5.7777 -5.7654 -5.7433 -2.5345 -2.5342 0.5569 0.5893 0.6548 0.6848 1.1385 1.1454 2.0760 2.0948 2.4180 2.4598 2.6923 2.7164 2.7878 2.8299 3.1604 3.1881 3.5172 3.5369 3.6172 3.6910 4.1164 4.1550 4.2083 4.3696 4.4002 4.4675 4.5342 4.5635 4.6616 4.6893 4.8957 5.0133 5.0752 5.1144 5.1402 5.2417 5.2688 5.3242 5.8999 5.9333 6.4859 6.4921 9.5294 9.5401 10.3651 10.3710 11.8031 11.8213 12.2323 12.2656 13.1611 13.1914 13.5148 13.5362 k = 0.1169 0.5474 0.2650 ( 4538 PWs) bands (ev): -22.3136 -22.3136 -13.8769 -13.8767 -11.7560 -11.7492 -11.7241 -11.7166 -11.6748 -11.6688 -6.0393 -6.0238 -5.7868 -5.7786 -5.7663 -5.7457 -2.5305 -2.5302 0.5473 0.5778 0.6401 0.6686 1.1387 1.1448 2.0873 2.1064 2.4044 2.4441 2.6962 2.7190 2.7910 2.8298 3.1831 3.2091 3.5360 3.5467 3.6215 3.6823 4.1196 4.1532 4.2203 4.3746 4.4008 4.4630 4.5421 4.5702 4.6609 4.6887 4.8894 5.0195 5.0748 5.1061 5.1394 5.2357 5.2719 5.3168 5.8835 5.9121 6.4945 6.5007 9.4967 9.5064 10.3501 10.3553 11.8066 11.8228 12.2525 12.2834 13.2403 13.2733 13.5668 13.5890 k = 0.1023 0.5424 0.2728 ( 4538 PWs) bands (ev): -22.3136 -22.3136 -13.8785 -13.8783 -11.7553 -11.7493 -11.7230 -11.7164 -11.6719 -11.6666 -6.0395 -6.0257 -5.7874 -5.7796 -5.7669 -5.7481 -2.5268 -2.5266 0.5389 0.5670 0.6274 0.6538 1.1390 1.1443 2.0984 2.1175 2.3916 2.4288 2.7001 2.7212 2.7942 2.8294 3.2042 3.2285 3.5503 3.5545 3.6278 3.6750 4.1223 4.1508 4.2334 4.3797 4.4000 4.4583 4.5508 4.5763 4.6598 4.6880 4.8847 5.0239 5.0674 5.1056 5.1379 5.2282 5.2751 5.3121 5.8679 5.8921 6.5030 6.5090 9.4677 9.4764 10.3367 10.3413 11.8092 11.8235 12.2708 12.2988 13.3178 13.3532 13.6134 13.6368 k = 0.0877 0.5373 0.2807 ( 4532 PWs) bands (ev): -22.3136 -22.3136 -13.8798 -13.8797 -11.7546 -11.7495 -11.7219 -11.7163 -11.6692 -11.6648 -6.0395 -6.0275 -5.7877 -5.7806 -5.7671 -5.7504 -2.5236 -2.5234 0.5318 0.5570 0.6167 0.6406 1.1393 1.1438 2.1093 2.1279 2.3799 2.4140 2.7039 2.7230 2.7974 2.8286 3.2236 3.2460 3.5546 3.5663 3.6350 3.6702 4.1245 4.1480 4.2472 4.3838 4.3984 4.4534 4.5600 4.5820 4.6587 4.6868 4.8821 5.0218 5.0619 5.1088 5.1356 5.2188 5.2784 5.3099 5.8534 5.8737 6.5112 6.5168 9.4424 9.4500 10.3249 10.3289 11.8113 11.8236 12.2872 12.3118 13.3922 13.4296 13.6537 13.6787 k = 0.0731 0.5322 0.2885 ( 4531 PWs) bands (ev): -22.3137 -22.3137 -13.8810 -13.8809 -11.7539 -11.7497 -11.7209 -11.7162 -11.6669 -11.6632 -6.0394 -6.0292 -5.7879 -5.7817 -5.7670 -5.7526 -2.5208 -2.5206 0.5261 0.5479 0.6082 0.6289 1.1397 1.1434 2.1196 2.1372 2.3696 2.4001 2.7076 2.7242 2.8007 2.8274 3.2410 3.2610 3.5563 3.5750 3.6419 3.6682 4.1263 4.1452 4.2615 4.3842 4.3987 4.4486 4.5693 4.5870 4.6578 4.6851 4.8820 5.0102 5.0650 5.1127 5.1328 5.2077 5.2820 5.3091 5.8406 5.8574 6.5186 6.5236 9.4210 9.4275 10.3149 10.3183 11.8131 11.8233 12.3015 12.3225 13.4619 13.5010 13.6868 13.7137 k = 0.0584 0.5271 0.2964 ( 4530 PWs) bands (ev): -22.3137 -22.3137 -13.8820 -13.8819 -11.7533 -11.7500 -11.7200 -11.7163 -11.6649 -11.6620 -6.0390 -6.0308 -5.7880 -5.7828 -5.7665 -5.7548 -2.5184 -2.5183 0.5218 0.5396 0.6018 0.6189 1.1400 1.1430 2.1294 2.1451 2.3611 2.3872 2.7111 2.7248 2.8039 2.8258 3.2563 3.2734 3.5575 3.5791 3.6484 3.6689 4.1277 4.1423 4.2762 4.3789 4.4026 4.4439 4.5779 4.5912 4.6575 4.6827 4.8847 4.9935 5.0732 5.1167 5.1297 5.1953 5.2861 5.3088 5.8299 5.8432 6.5251 6.5293 9.4035 9.4088 10.3068 10.3094 11.8145 11.8228 12.3137 12.3309 13.5254 13.5656 13.7119 13.7409 k = 0.0438 0.5220 0.3043 ( 4528 PWs) bands (ev): -22.3137 -22.3137 -13.8827 -13.8826 -11.7527 -11.7502 -11.7192 -11.7164 -11.6632 -11.6611 -6.0386 -6.0323 -5.7878 -5.7838 -5.7658 -5.7569 -2.5166 -2.5165 0.5189 0.5325 0.5974 0.6105 1.1404 1.1426 2.1381 2.1511 2.3548 2.3756 2.7143 2.7249 2.8072 2.8239 3.2691 3.2828 3.5589 3.5791 3.6547 3.6707 4.1289 4.1396 4.2910 4.3703 4.4080 4.4392 4.5855 4.5945 4.6582 4.6795 4.8904 4.9754 5.0834 5.1206 5.1265 5.1819 5.2905 5.3083 5.8216 5.8317 6.5305 6.5337 9.3900 9.3940 10.3004 10.3024 11.8158 11.8220 12.3239 12.3369 13.5813 13.6210 13.7289 13.7593 k = 0.0292 0.5170 0.3121 ( 4534 PWs) bands (ev): -22.3137 -22.3137 -13.8833 -13.8832 -11.7522 -11.7506 -11.7185 -11.7167 -11.6620 -11.6605 -6.0379 -6.0337 -5.7875 -5.7848 -5.7648 -5.7588 -2.5153 -2.5152 0.5174 0.5267 0.5950 0.6039 1.1407 1.1422 2.1456 2.1550 2.3511 2.3657 2.7172 2.7244 2.8104 2.8217 3.2793 3.2888 3.5611 3.5764 3.6609 3.6720 4.1301 4.1371 4.3058 4.3597 4.4136 4.4344 4.5914 4.5968 4.6600 4.6756 4.8990 4.9573 5.0940 5.1210 5.1273 5.1682 5.2948 5.3072 5.8160 5.8228 6.5346 6.5368 9.3805 9.3832 10.2960 10.2973 11.8169 11.8211 12.3318 12.3405 13.6280 13.6641 13.7388 13.7682 k = 0.0146 0.5119 0.3200 ( 4536 PWs) bands (ev): -22.3137 -22.3137 -13.8836 -13.8835 -11.7517 -11.7509 -11.7179 -11.7170 -11.6610 -11.6603 -6.0371 -6.0350 -5.7871 -5.7857 -5.7636 -5.7606 -2.5145 -2.5144 0.5175 0.5222 0.5945 0.5990 1.1411 1.1418 2.1514 2.1564 2.3504 2.3580 2.7197 2.7234 2.8135 2.8192 3.2866 3.2915 3.5642 3.5723 3.6661 3.6718 4.1314 4.1349 4.3203 4.3475 4.4191 4.4295 4.5954 4.5979 4.6629 4.6712 4.9104 4.9401 5.1036 5.1169 5.1338 5.1550 5.2989 5.3052 5.8133 5.8167 6.5373 6.5384 9.3751 9.3764 10.2934 10.2941 11.8180 11.8201 12.3375 12.3419 13.6638 13.6879 13.7468 13.7674 k = 0.0000 0.5068 0.3278 ( 4538 PWs) bands (ev): -22.3137 -22.3137 -13.8837 -13.8837 -11.7513 -11.7513 -11.7174 -11.7174 -11.6605 -11.6605 -6.0361 -6.0361 -5.7864 -5.7864 -5.7622 -5.7622 -2.5142 -2.5142 0.5191 0.5191 0.5958 0.5958 1.1415 1.1415 2.1551 2.1551 2.3527 2.3527 2.7218 2.7218 2.8164 2.8164 3.2907 3.2907 3.5680 3.5680 3.6698 3.6698 4.1329 4.1329 4.3343 4.3343 4.4244 4.4244 4.5975 4.5975 4.6669 4.6669 4.9243 4.9243 5.1112 5.1112 5.1432 5.1432 5.3024 5.3024 5.8135 5.8135 6.5386 6.5386 9.3737 9.3737 10.2928 10.2928 11.8191 11.8191 12.3408 12.3408 13.6859 13.6859 13.7583 13.7583 k = 0.0000 0.5068 0.3278 ( 4538 PWs) bands (ev): -22.3137 -22.3137 -13.8837 -13.8837 -11.7513 -11.7513 -11.7174 -11.7174 -11.6605 -11.6605 -6.0361 -6.0361 -5.7864 -5.7864 -5.7622 -5.7622 -2.5142 -2.5142 0.5191 0.5191 0.5958 0.5958 1.1415 1.1415 2.1551 2.1551 2.3527 2.3527 2.7218 2.7218 2.8164 2.8164 3.2907 3.2907 3.5680 3.5680 3.6698 3.6698 4.1329 4.1329 4.3343 4.3343 4.4244 4.4244 4.5975 4.5975 4.6669 4.6669 4.9243 4.9243 5.1112 5.1112 5.1432 5.1432 5.3024 5.3024 5.8135 5.8135 6.5386 6.5386 9.3737 9.3737 10.2928 10.2928 11.8191 11.8191 12.3408 12.3408 13.6859 13.6859 13.7583 13.7583 k = 0.0093 0.4989 0.3400 ( 4538 PWs) bands (ev): -22.3137 -22.3137 -13.8836 -13.8836 -11.7516 -11.7510 -11.7176 -11.7174 -11.6607 -11.6603 -6.0366 -6.0356 -5.7867 -5.7861 -5.7624 -5.7619 -2.5140 -2.5138 0.5183 0.5194 0.5953 0.5958 1.1393 1.1410 2.1553 2.1555 2.3530 2.3544 2.7209 2.7255 2.8148 2.8165 3.2907 3.2912 3.5621 3.5727 3.6598 3.6798 4.1264 4.1382 4.3180 4.3436 4.4265 4.4294 4.5918 4.5998 4.6561 4.6811 4.9205 4.9308 5.1035 5.1171 5.1371 5.1523 5.3019 5.3029 5.8111 5.8164 6.5364 6.5381 9.3754 9.3755 10.2932 10.2933 11.8168 11.8169 12.3422 12.3432 13.6854 13.6863 13.7579 13.7584 k = 0.0185 0.4911 0.3521 ( 4536 PWs) bands (ev): -22.3137 -22.3137 -13.8835 -13.8835 -11.7520 -11.7508 -11.7179 -11.7175 -11.6609 -11.6601 -6.0370 -6.0351 -5.7868 -5.7857 -5.7626 -5.7617 -2.5134 -2.5130 0.5170 0.5192 0.5943 0.5953 1.1345 1.1379 2.1562 2.1565 2.3552 2.3578 2.7229 2.7320 2.8118 2.8152 3.2912 3.2922 3.5553 3.5757 3.6503 3.6894 4.1185 4.1421 4.2974 4.3459 4.4334 4.4410 4.5829 4.5998 4.6497 4.6968 4.9199 4.9396 5.0954 5.1162 5.1390 5.1627 5.3015 5.3032 5.8092 5.8198 6.5315 6.5348 9.3804 9.3806 10.2945 10.2946 11.8102 11.8103 12.3473 12.3492 13.6847 13.6866 13.7571 13.7581 k = 0.0278 0.4832 0.3643 ( 4530 PWs) bands (ev): -22.3137 -22.3137 -13.8833 -13.8832 -11.7523 -11.7505 -11.7184 -11.7178 -11.6611 -11.6599 -6.0373 -6.0345 -5.7869 -5.7853 -5.7628 -5.7615 -2.5123 -2.5117 0.5152 0.5184 0.5928 0.5942 1.1271 1.1322 2.1576 2.1581 2.3590 2.3628 2.7276 2.7412 2.8077 2.8126 3.2923 3.2937 3.5477 3.5765 3.6420 3.6985 4.1089 4.1441 4.2756 4.3437 4.4432 4.4559 4.5731 4.5985 4.6467 4.7126 4.9227 4.9502 5.0875 5.1102 5.1476 5.1737 5.3012 5.3034 5.8078 5.8236 6.5238 6.5288 9.3888 9.3892 10.2967 10.2969 11.7992 11.7993 12.3562 12.3589 13.6837 13.6866 13.7559 13.7574 k = 0.0370 0.4754 0.3764 ( 4524 PWs) bands (ev): -22.3137 -22.3137 -13.8830 -13.8829 -11.7527 -11.7503 -11.7191 -11.7183 -11.6612 -11.6597 -6.0375 -6.0339 -5.7869 -5.7847 -5.7630 -5.7612 -2.5108 -2.5099 0.5129 0.5172 0.5908 0.5926 1.1176 1.1242 2.1597 2.1604 2.3642 2.3691 2.7345 2.7524 2.8030 2.8092 3.2939 3.2956 3.5395 3.5745 3.6357 3.7067 4.0975 4.1427 4.2554 4.3396 4.4544 4.4704 4.5655 4.5966 4.6459 4.7275 4.9287 4.9618 5.0796 5.1033 5.1587 5.1853 5.3013 5.3034 5.8070 5.8278 6.5135 6.5202 9.4007 9.4011 10.2998 10.3001 11.7838 11.7839 12.3685 12.3722 13.6822 13.6860 13.7544 13.7564 k = 0.0463 0.4675 0.3885 ( 4522 PWs) bands (ev): -22.3137 -22.3137 -13.8826 -13.8825 -11.7531 -11.7502 -11.7198 -11.7189 -11.6614 -11.6595 -6.0377 -6.0333 -5.7868 -5.7842 -5.7632 -5.7610 -2.5088 -2.5077 0.5102 0.5155 0.5883 0.5905 1.1061 1.1142 2.1624 2.1633 2.3706 2.3763 2.7425 2.7641 2.7990 2.8067 3.2960 3.2978 3.5310 3.5693 3.6318 3.7140 4.0839 4.1357 4.2399 4.3349 4.4663 4.4817 4.5631 4.5944 4.6464 4.7411 4.9376 4.9739 5.0718 5.0968 5.1712 5.1969 5.3021 5.3032 5.8069 5.8324 6.5006 6.5089 9.4159 9.4164 10.3037 10.3041 11.7641 11.7642 12.3843 12.3888 13.6796 13.6843 13.7526 13.7549 k = 0.0556 0.4597 0.4007 ( 4522 PWs) bands (ev): -22.3137 -22.3137 -13.8821 -13.8820 -11.7535 -11.7501 -11.7207 -11.7196 -11.6615 -11.6593 -6.0378 -6.0326 -5.7866 -5.7835 -5.7634 -5.7608 -2.5063 -2.5051 0.5070 0.5133 0.5854 0.5880 1.0929 1.1024 2.1657 2.1668 2.3778 2.3841 2.7485 2.7713 2.7986 2.8100 3.2986 3.3003 3.5223 3.5616 3.6301 3.7203 4.0679 4.1213 4.2314 4.3304 4.4784 4.4881 4.5672 4.5921 4.6477 4.7535 4.9488 4.9858 5.0642 5.0911 5.1849 5.2081 5.3028 5.3040 5.8074 5.8374 6.4850 6.4951 9.4345 9.4351 10.3085 10.3089 11.7401 11.7401 12.4033 12.4085 13.6755 13.6809 13.7504 13.7531 k = 0.0648 0.4518 0.4128 ( 4524 PWs) bands (ev): -22.3137 -22.3137 -13.8816 -13.8815 -11.7540 -11.7501 -11.7217 -11.7205 -11.6616 -11.6591 -6.0378 -6.0320 -5.7864 -5.7829 -5.7635 -5.7606 -2.5035 -2.5021 0.5035 0.5107 0.5821 0.5849 1.0784 1.0892 2.1697 2.1709 2.3854 2.3920 2.7484 2.7692 2.8062 2.8237 3.3016 3.3031 3.5136 3.5523 3.6299 3.7257 4.0497 4.1002 4.2298 4.3265 4.4901 4.4910 4.5762 4.5899 4.6502 4.7650 4.9614 4.9970 5.0570 5.0868 5.1996 5.2184 5.3025 5.3076 5.8086 5.8427 6.4670 6.4788 9.4565 9.4572 10.3142 10.3146 11.7118 11.7119 12.4252 12.4311 13.6690 13.6749 13.7479 13.7509 k = 0.0741 0.4440 0.4250 ( 4522 PWs) bands (ev): -22.3137 -22.3137 -13.8810 -13.8809 -11.7544 -11.7501 -11.7228 -11.7215 -11.6617 -11.6589 -6.0378 -6.0313 -5.7860 -5.7822 -5.7637 -5.7604 -2.5003 -2.4988 0.4996 0.5076 0.5783 0.5814 1.0630 1.0749 2.1743 2.1756 2.3932 2.3998 2.7418 2.7610 2.8218 2.8445 3.3051 3.3061 3.5050 3.5422 3.6304 3.7300 4.0294 4.0750 4.2330 4.3233 4.4927 4.5011 4.5868 4.5880 4.6543 4.7760 4.9745 5.0068 5.0506 5.0842 5.2150 5.2271 5.3023 5.3133 5.8105 5.8483 6.4467 6.4601 9.4819 9.4826 10.3207 10.3212 11.6793 11.6795 12.4496 12.4561 13.6589 13.6650 13.7452 13.7487 k = 0.0833 0.4361 0.4371 ( 4526 PWs) bands (ev): -22.3137 -22.3137 -13.8803 -13.8802 -11.7548 -11.7502 -11.7240 -11.7226 -11.6618 -11.6587 -6.0377 -6.0307 -5.7855 -5.7815 -5.7639 -5.7602 -2.4968 -2.4951 0.4953 0.5042 0.5743 0.5775 1.0471 1.0598 2.1796 2.1810 2.4008 2.4072 2.7314 2.7499 2.8428 2.8690 3.3089 3.3093 3.4967 3.5320 3.6313 3.7334 4.0073 4.0475 4.2392 4.3211 4.4950 4.5110 4.5863 4.5961 4.6608 4.7867 4.9869 5.0146 5.0458 5.0840 5.2307 5.2340 5.3025 5.3212 5.8132 5.8542 6.4240 6.4392 9.5106 9.5113 10.3279 10.3284 11.6427 11.6430 12.4761 12.4832 13.6441 13.6499 13.7425 13.7465 k = 0.0926 0.4282 0.4492 ( 4528 PWs) bands (ev): -22.3137 -22.3137 -13.8796 -13.8795 -11.7553 -11.7504 -11.7252 -11.7237 -11.6619 -11.6586 -6.0375 -6.0301 -5.7850 -5.7807 -5.7640 -5.7601 -2.4931 -2.4913 0.4908 0.5004 0.5699 0.5732 1.0308 1.0444 2.1855 2.1870 2.4082 2.4142 2.7187 2.7369 2.8670 2.8957 3.3125 3.3131 3.4890 3.5223 3.6323 3.7358 3.9838 4.0192 4.2474 4.3198 4.4984 4.5195 4.5850 4.6025 4.6699 4.7973 4.9964 5.0199 5.0444 5.0867 5.2393 5.2460 5.3037 5.3310 5.8167 5.8604 6.3992 6.4162 9.5427 9.5433 10.3359 10.3364 11.6022 11.6026 12.5041 12.5116 13.6238 13.6287 13.7400 13.7447 k = 0.1019 0.4204 0.4614 ( 4528 PWs) bands (ev): -22.3137 -22.3137 -13.8788 -13.8787 -11.7557 -11.7506 -11.7265 -11.7249 -11.6619 -11.6584 -6.0372 -6.0295 -5.7844 -5.7799 -5.7641 -5.7601 -2.4891 -2.4872 0.4861 0.4962 0.5652 0.5686 1.0145 1.0287 2.1921 2.1937 2.4153 2.4206 2.7045 2.7226 2.8933 2.9238 3.3159 3.3175 3.4820 3.5134 3.6334 3.7373 3.9595 3.9908 4.2569 4.3195 4.5029 4.5264 4.5840 4.6060 4.6810 4.8076 5.0009 5.0231 5.0485 5.0920 5.2437 5.2602 5.3065 5.3422 5.8209 5.8669 6.3724 6.3912 9.5780 9.5786 10.3445 10.3451 11.5579 11.5584 12.5329 12.5406 13.5980 13.6017 13.7382 13.7434 k = 0.1111 0.4125 0.4735 ( 4532 PWs) bands (ev): -22.3137 -22.3137 -13.8780 -13.8779 -11.7561 -11.7510 -11.7277 -11.7261 -11.6619 -11.6583 -6.0369 -6.0290 -5.7836 -5.7792 -5.7643 -5.7600 -2.4849 -2.4830 0.4813 0.4919 0.5604 0.5638 0.9986 1.0132 2.1994 2.2009 2.4218 2.4263 2.6894 2.7072 2.9209 2.9525 3.3194 3.3223 3.4761 3.5056 3.6344 3.7379 3.9347 3.9629 4.2673 4.3202 4.5084 4.5315 4.5836 4.6072 4.6929 4.8172 5.0007 5.0247 5.0576 5.0992 5.2480 5.2722 5.3121 5.3538 5.8260 5.8736 6.3438 6.3643 9.6165 9.6171 10.3538 10.3544 11.5099 11.5105 12.5615 12.5693 13.5683 13.5706 13.7370 13.7427 k = 0.1204 0.4047 0.4857 ( 4528 PWs) bands (ev): -22.3137 -22.3137 -13.8772 -13.8771 -11.7566 -11.7514 -11.7289 -11.7274 -11.6619 -11.6582 -6.0365 -6.0285 -5.7828 -5.7784 -5.7644 -5.7601 -2.4807 -2.4787 0.4763 0.4873 0.5554 0.5587 0.9831 0.9979 2.2073 2.2088 2.4279 2.4315 2.6735 2.6909 2.9488 2.9812 3.3229 3.3272 3.4714 3.4994 3.6354 3.7376 3.9101 3.9358 4.2785 4.3219 4.5145 4.5345 4.5839 4.6072 4.7046 4.8260 4.9985 5.0256 5.0690 5.1072 5.2533 5.2817 5.3210 5.3652 5.8318 5.8804 6.3136 6.3359 9.6583 9.6587 10.3636 10.3641 11.4584 11.4592 12.5887 12.5964 13.5375 13.5383 13.7367 13.7427 k = 0.1296 0.3968 0.4978 ( 4530 PWs) bands (ev): -22.3137 -22.3137 -13.8764 -13.8763 -11.7570 -11.7519 -11.7301 -11.7286 -11.6618 -11.6582 -6.0361 -6.0281 -5.7820 -5.7776 -5.7646 -5.7602 -2.4763 -2.4743 0.4713 0.4825 0.5504 0.5534 0.9684 0.9832 2.2160 2.2174 2.4334 2.4361 2.6570 2.6739 2.9766 3.0091 3.3265 3.3323 3.4682 3.4948 3.6363 3.7365 3.8860 3.9100 4.2902 4.3244 4.5206 4.5354 4.5849 4.6065 4.7153 4.8332 4.9960 5.0265 5.0806 5.1151 5.2604 5.2896 5.3327 5.3760 5.8382 5.8873 6.2819 6.3060 9.7031 9.7034 10.3737 10.3743 11.4036 11.4046 12.6132 12.6207 13.5082 13.5088 13.7372 13.7434 k = 0.1389 0.3890 0.5100 ( 4526 PWs) bands (ev): -22.3136 -22.3136 -13.8756 -13.8755 -11.7575 -11.7524 -11.7312 -11.7298 -11.6617 -11.6581 -6.0356 -6.0277 -5.7811 -5.7768 -5.7647 -5.7603 -2.4720 -2.4700 0.4664 0.4776 0.5453 0.5482 0.9545 0.9691 2.2253 2.2265 2.4384 2.4401 2.6401 2.6562 3.0033 3.0355 3.3303 3.3374 3.4666 3.4923 3.6372 3.7346 3.8629 3.8855 4.3022 4.3278 4.5260 4.5342 4.5868 4.6059 4.7246 4.8384 4.9944 5.0277 5.0911 5.1223 5.2703 5.2974 5.3459 5.3856 5.8451 5.8942 6.2490 6.2749 9.7510 9.7511 10.3842 10.3848 11.3458 11.3469 12.6336 12.6407 13.4836 13.4857 13.7384 13.7447 k = 0.1481 0.3811 0.5221 ( 4528 PWs) bands (ev): -22.3136 -22.3136 -13.8748 -13.8747 -11.7579 -11.7531 -11.7322 -11.7310 -11.6616 -11.6581 -6.0351 -6.0274 -5.7801 -5.7760 -5.7649 -5.7605 -2.4677 -2.4658 0.4615 0.4727 0.5403 0.5429 0.9415 0.9557 2.2352 2.2362 2.4428 2.4435 2.6230 2.6381 3.0285 3.0598 3.3341 3.3425 3.4670 3.4918 3.6380 3.7318 3.8412 3.8627 4.3146 4.3319 4.5300 4.5311 4.5893 4.6060 4.7323 4.8414 4.9942 5.0292 5.0999 5.1283 5.2834 5.3061 5.3600 5.3940 5.8523 5.9010 6.2151 6.2428 9.8017 9.8018 10.3949 10.3954 11.2852 11.2865 12.6485 12.6549 13.4674 13.4708 13.7404 13.7466 k = 0.1574 0.3733 0.5342 ( 4528 PWs) bands (ev): -22.3136 -22.3136 -13.8741 -13.8740 -11.7583 -11.7538 -11.7332 -11.7321 -11.6614 -11.6581 -6.0345 -6.0272 -5.7790 -5.7752 -5.7651 -5.7608 -2.4635 -2.4617 0.4569 0.4678 0.5354 0.5377 0.9297 0.9433 2.2458 2.2465 2.4464 2.4467 2.6057 2.6198 3.0516 3.0815 3.3381 3.3475 3.4694 3.4936 3.6387 3.7280 3.8212 3.8416 4.3272 4.3369 4.5265 4.5319 4.5923 4.6074 4.7383 4.8419 4.9955 5.0310 5.1068 5.1327 5.2998 5.3160 5.3747 5.4010 5.8598 5.9076 6.1806 6.2102 9.8552 9.8553 10.4055 10.4060 11.2220 11.2235 12.6568 12.6624 13.4617 13.4664 13.7431 13.7491 k = 0.1667 0.3654 0.5464 ( 4524 PWs) bands (ev): -22.3136 -22.3136 -13.8734 -13.8733 -11.7587 -11.7545 -11.7341 -11.7331 -11.6613 -11.6581 -6.0339 -6.0270 -5.7780 -5.7744 -5.7653 -5.7612 -2.4595 -2.4578 0.4525 0.4629 0.5308 0.5327 0.9190 0.9318 2.2570 2.2574 2.4488 2.4500 2.5886 2.6013 3.0721 3.1001 3.3421 3.3523 3.4738 3.4974 3.6394 3.7233 3.8035 3.8225 4.3399 4.3426 4.5204 4.5314 4.5957 4.6103 4.7429 4.8401 4.9981 5.0329 5.1119 5.1358 5.3192 5.3267 5.3902 5.4067 5.8671 5.9139 6.1458 6.1773 9.9112 9.9116 10.4160 10.4165 11.1566 11.1582 12.6584 12.6631 13.4675 13.4734 13.7464 13.7520 k = 0.1759 0.3576 0.5585 ( 4516 PWs) bands (ev): -22.3136 -22.3136 -13.8727 -13.8726 -11.7591 -11.7553 -11.7348 -11.7340 -11.6611 -11.6581 -6.0333 -6.0269 -5.7768 -5.7737 -5.7655 -5.7616 -2.4558 -2.4542 0.4484 0.4583 0.5264 0.5280 0.9095 0.9213 2.2687 2.2688 2.4505 2.4527 2.5717 2.5829 3.0900 3.1156 3.3462 3.3566 3.4800 3.5031 3.6401 3.7174 3.7881 3.8053 4.3491 4.3526 4.5131 4.5284 4.5994 4.6145 4.7464 4.8363 5.0017 5.0347 5.1158 5.1377 5.3375 5.3408 5.4070 5.4115 5.8741 5.9196 6.1112 6.1445 9.9698 9.9703 10.4262 10.4266 11.0892 11.0909 12.6538 12.6577 13.4847 13.4916 13.7501 13.7554 k = 0.1852 0.3497 0.5707 ( 4516 PWs) bands (ev): -22.3136 -22.3136 -13.8721 -13.8720 -11.7594 -11.7560 -11.7355 -11.7348 -11.6609 -11.6582 -6.0327 -6.0269 -5.7757 -5.7730 -5.7658 -5.7621 -2.4523 -2.4508 0.4448 0.4538 0.5223 0.5237 0.9012 0.9119 2.2804 2.2809 2.4515 2.4548 2.5555 2.5650 3.1051 3.1279 3.3502 3.3606 3.4878 3.5100 3.6409 3.7105 3.7755 3.7903 4.3563 4.3654 4.5047 4.5232 4.6034 4.6195 4.7490 4.8310 5.0057 5.0361 5.1188 5.1388 5.3478 5.3632 5.4159 5.4249 5.8805 5.9246 6.0774 6.1124 10.0307 10.0314 10.4358 10.4362 11.0201 11.0220 12.6443 12.6475 13.5122 13.5198 13.7541 13.7590 k = 0.1944 0.3419 0.5828 ( 4518 PWs) bands (ev): -22.3136 -22.3136 -13.8715 -13.8714 -11.7597 -11.7568 -11.7361 -11.7355 -11.6607 -11.6583 -6.0321 -6.0269 -5.7746 -5.7723 -5.7660 -5.7627 -2.4491 -2.4478 0.4416 0.4497 0.5186 0.5197 0.8941 0.9036 2.2923 2.2934 2.4517 2.4561 2.5401 2.5477 3.1176 3.1374 3.3541 3.3639 3.4965 3.5176 3.6418 3.7029 3.7653 3.7775 4.3643 4.3780 4.4955 4.5164 4.6076 4.6244 4.7513 4.8244 5.0099 5.0369 5.1215 5.1393 5.3570 5.3834 5.4224 5.4439 5.8859 5.9284 6.0452 6.0816 10.0938 10.0947 10.4446 10.4450 10.9497 10.9516 12.6318 12.6343 13.5482 13.5563 13.7582 13.7627 k = 0.2037 0.3340 0.5949 ( 4518 PWs) bands (ev): -22.3136 -22.3136 -13.8710 -13.8709 -11.7599 -11.7575 -11.7366 -11.7361 -11.6605 -11.6584 -6.0314 -6.0270 -5.7734 -5.7716 -5.7663 -5.7633 -2.4464 -2.4453 0.4389 0.4459 0.5154 0.5163 0.8883 0.8964 2.3044 2.3059 2.4508 2.4563 2.5262 2.5317 3.1277 3.1442 3.3578 3.3667 3.5056 3.5251 3.6432 3.6949 3.7574 3.7668 4.3729 4.3906 4.4855 4.5083 4.6119 4.6288 4.7537 4.8170 5.0138 5.0370 5.1239 5.1395 5.3651 5.3962 5.4353 5.4632 5.8900 5.9304 6.0160 6.0531 10.1588 10.1598 10.4526 10.4529 10.8783 10.8803 12.6180 12.6200 13.5904 13.5989 13.7623 13.7662 k = 0.2130 0.3261 0.6071 ( 4514 PWs) bands (ev): -22.3136 -22.3136 -13.8706 -13.8705 -11.7601 -11.7581 -11.7369 -11.7366 -11.6602 -11.6586 -6.0308 -6.0272 -5.7723 -5.7710 -5.7666 -5.7640 -2.4440 -2.4431 0.4368 0.4425 0.5127 0.5134 0.8837 0.8903 2.3163 2.3183 2.4487 2.4551 2.5143 2.5176 3.1356 3.1489 3.3612 3.3688 3.5145 3.5316 3.6452 3.6871 3.7514 3.7582 4.3822 4.4029 4.4751 4.4991 4.6163 4.6322 4.7566 4.8092 5.0175 5.0363 5.1265 5.1394 5.3721 5.4006 5.4549 5.4817 5.8924 5.9292 5.9922 6.0279 10.2254 10.2266 10.4594 10.4596 10.8063 10.8082 12.6046 12.6061 13.6364 13.6449 13.7662 13.7696 k = 0.2222 0.3183 0.6192 ( 4510 PWs) bands (ev): -22.3136 -22.3136 -13.8703 -13.8702 -11.7602 -11.7587 -11.7372 -11.7370 -11.6600 -11.6588 -6.0302 -6.0275 -5.7713 -5.7704 -5.7669 -5.7648 -2.4422 -2.4415 0.4353 0.4397 0.5106 0.5111 0.8804 0.8854 2.3275 2.3298 2.4454 2.4521 2.5051 2.5064 3.1419 3.1518 3.3642 3.3702 3.5226 3.5365 3.6479 3.6796 3.7470 3.7516 4.3921 4.4146 4.4646 4.4892 4.6207 4.6343 4.7604 4.8011 5.0208 5.0351 5.1290 5.1390 5.3783 5.4008 5.4757 5.4978 5.8932 5.9227 5.9771 6.0070 10.2933 10.2946 10.4648 10.4650 10.7341 10.7361 12.5929 12.5940 13.6829 13.6910 13.7697 13.7726 k = 0.2315 0.3104 0.6314 ( 4508 PWs) bands (ev): -22.3136 -22.3136 -13.8700 -13.8700 -11.7602 -11.7592 -11.7374 -11.7373 -11.6598 -11.6589 -6.0297 -6.0278 -5.7703 -5.7699 -5.7672 -5.7656 -2.4408 -2.4403 0.4344 0.4374 0.5091 0.5094 0.8782 0.8816 2.3374 2.3395 2.4415 2.4474 2.4987 2.4989 3.1465 3.1531 3.3667 3.3709 3.5295 3.5393 3.6515 3.6728 3.7441 3.7468 4.4025 4.4249 4.4552 4.4788 4.6249 4.6348 4.7651 4.7929 5.0238 5.0334 5.1314 5.1383 5.3837 5.3991 5.4941 5.5098 5.8927 5.9120 5.9710 5.9912 10.3616 10.3631 10.4689 10.4690 10.6627 10.6646 12.5839 12.5846 13.7252 13.7321 13.7731 13.7754 k = 0.2407 0.3026 0.6435 ( 4504 PWs) bands (ev): -22.3136 -22.3136 -13.8699 -13.8699 -11.7601 -11.7596 -11.7375 -11.7375 -11.6596 -11.6591 -6.0291 -6.0282 -5.7695 -5.7695 -5.7673 -5.7664 -2.4399 -2.4396 0.4342 0.4357 0.5082 0.5083 0.8773 0.8790 2.3447 2.3460 2.4388 2.4422 2.4949 2.4950 3.1499 3.1532 3.3687 3.3708 3.5349 3.5400 3.6559 3.6665 3.7425 3.7438 4.4130 4.4290 4.4516 4.4682 4.6287 4.6339 4.7709 4.7850 5.0266 5.0314 5.1337 5.1372 5.3885 5.3963 5.5080 5.5161 5.8926 5.9016 5.9706 5.9804 10.4280 10.4294 10.4714 10.4715 10.5946 10.5963 12.5783 12.5786 13.7552 13.7591 13.7785 13.7795 k = 0.2500 0.2947 0.6557 ( 4504 PWs) bands (ev): -22.3136 -22.3136 -13.8698 -13.8698 -11.7599 -11.7599 -11.7375 -11.7375 -11.6594 -11.6594 -6.0286 -6.0286 -5.7693 -5.7693 -5.7670 -5.7670 -2.4395 -2.4395 0.4346 0.4346 0.5079 0.5079 0.8775 0.8776 2.3479 2.3479 2.4388 2.4388 2.4937 2.4937 3.1521 3.1521 3.3701 3.3701 3.5384 3.5385 3.6608 3.6609 3.7424 3.7425 4.4229 4.4229 4.4580 4.4581 4.6318 4.6318 4.7776 4.7777 5.0291 5.0291 5.1356 5.1356 5.3927 5.3927 5.5156 5.5156 5.8951 5.8951 5.9738 5.9738 10.4705 10.4705 10.4725 10.4725 10.5528 10.5528 12.5764 12.5764 13.7650 13.7650 13.7837 13.7837 k = 0.2500 0.2947 0.6557 ( 4504 PWs) bands (ev): -22.3136 -22.3136 -13.8698 -13.8698 -11.7599 -11.7599 -11.7375 -11.7375 -11.6594 -11.6594 -6.0286 -6.0286 -5.7693 -5.7693 -5.7670 -5.7670 -2.4395 -2.4395 0.4346 0.4346 0.5079 0.5079 0.8775 0.8776 2.3479 2.3479 2.4388 2.4388 2.4937 2.4937 3.1521 3.1521 3.3701 3.3701 3.5384 3.5385 3.6608 3.6609 3.7424 3.7425 4.4229 4.4229 4.4580 4.4581 4.6318 4.6318 4.7776 4.7777 5.0291 5.0291 5.1356 5.1356 5.3927 5.3927 5.5156 5.5156 5.8951 5.8951 5.9738 5.9738 10.4705 10.4705 10.4725 10.4725 10.5528 10.5528 12.5764 12.5764 13.7650 13.7650 13.7837 13.7837 k = 0.2571 0.3031 0.6426 ( 4504 PWs) bands (ev): -22.3136 -22.3136 -13.8698 -13.8698 -11.7601 -11.7598 -11.7375 -11.7374 -11.6596 -11.6592 -6.0290 -6.0283 -5.7696 -5.7693 -5.7671 -5.7665 -2.4397 -2.4396 0.4318 0.4331 0.5104 0.5107 0.8774 0.8786 2.3458 2.3467 2.4373 2.4400 2.4952 2.4959 3.1506 3.1531 3.3684 3.3702 3.5366 3.5402 3.6570 3.6648 3.7424 3.7437 4.4160 4.4254 4.4510 4.4691 4.6299 4.6331 4.7723 4.7836 5.0271 5.0308 5.1345 5.1369 5.3889 5.3946 5.5111 5.5174 5.8887 5.8971 5.9754 5.9811 10.4474 10.4479 10.4680 10.4682 10.5799 10.5812 12.5772 12.5776 13.7454 13.7486 13.7910 13.7917 k = 0.2643 0.3116 0.6296 ( 4510 PWs) bands (ev): -22.3136 -22.3136 -13.8699 -13.8698 -11.7605 -11.7598 -11.7372 -11.7370 -11.6599 -11.6591 -6.0295 -6.0278 -5.7706 -5.7695 -5.7667 -5.7658 -2.4404 -2.4400 0.4254 0.4281 0.5173 0.5181 0.8781 0.8804 2.3407 2.3419 2.4365 2.4416 2.4991 2.5012 3.1485 3.1535 3.3649 3.3687 3.5351 3.5417 3.6535 3.6681 3.7433 3.7464 4.4092 4.4223 4.4439 4.4852 4.6285 4.6330 4.7672 4.7905 5.0251 5.0322 5.1336 5.1381 5.3831 5.3942 5.5043 5.5164 5.8800 5.8985 5.9842 5.9936 10.4045 10.4047 10.4649 10.4656 10.6271 10.6286 12.5797 12.5805 13.7121 13.7173 13.7923 13.7930 k = 0.2714 0.3200 0.6166 ( 4519 PWs) bands (ev): -22.3136 -22.3136 -13.8699 -13.8698 -11.7609 -11.7599 -11.7368 -11.7364 -11.6603 -11.6591 -6.0301 -6.0272 -5.7718 -5.7696 -5.7660 -5.7650 -2.4413 -2.4408 0.4170 0.4211 0.5274 0.5287 0.8797 0.8831 2.3326 2.3339 2.4371 2.4445 2.5043 2.5083 3.1458 3.1533 3.3594 3.3655 3.5342 3.5431 3.6502 3.6707 3.7452 3.7505 4.4026 4.4169 4.4367 4.5030 4.6274 4.6316 4.7625 4.7980 5.0231 5.0335 5.1328 5.1390 5.3745 5.3907 5.4965 5.5128 5.8734 5.9014 5.9962 6.0086 10.3593 10.3604 10.4637 10.4647 10.6755 10.6770 12.5836 12.5848 13.6715 13.6778 13.7830 13.7833 k = 0.2786 0.3284 0.6036 ( 4527 PWs) bands (ev): -22.3136 -22.3136 -13.8699 -13.8698 -11.7614 -11.7601 -11.7363 -11.7356 -11.6608 -11.6592 -6.0307 -6.0266 -5.7732 -5.7698 -5.7652 -5.7640 -2.4427 -2.4420 0.4080 0.4132 0.5395 0.5413 0.8821 0.8865 2.3223 2.3233 2.4392 2.4489 2.5102 2.5165 3.1425 3.1523 3.3520 3.3606 3.5339 3.5443 3.6470 3.6726 3.7480 3.7557 4.3965 4.4103 4.4294 4.5211 4.6265 4.6290 4.7581 4.8053 5.0213 5.0347 5.1320 5.1396 5.3630 5.3836 5.4888 5.5073 5.8707 5.9069 6.0096 6.0250 10.3155 10.3175 10.4640 10.4653 10.7224 10.7238 12.5884 12.5903 13.6250 13.6314 13.7648 13.7649 k = 0.2857 0.3368 0.5906 ( 4521 PWs) bands (ev): -22.3136 -22.3136 -13.8699 -13.8698 -11.7619 -11.7604 -11.7358 -11.7348 -11.6615 -11.6593 -6.0313 -6.0258 -5.7746 -5.7700 -5.7643 -5.7628 -2.4444 -2.4436 0.3992 0.4054 0.5530 0.5553 0.8854 0.8906 2.3103 2.3110 2.4425 2.4543 2.5165 2.5253 3.1385 3.1505 3.3429 3.3540 3.5342 3.5455 3.6440 3.6739 3.7519 3.7621 4.3910 4.4032 4.4221 4.5387 4.6256 4.6261 4.7544 4.8117 5.0201 5.0358 5.1312 5.1398 5.3485 5.3726 5.4820 5.5009 5.8726 5.9149 6.0234 6.0417 10.2740 10.2771 10.4657 10.4672 10.7671 10.7687 12.5938 12.5964 13.5734 13.5795 13.7400 13.7402 k = 0.2929 0.3453 0.5775 ( 4519 PWs) bands (ev): -22.3136 -22.3136 -13.8698 -13.8697 -11.7625 -11.7607 -11.7353 -11.7338 -11.6622 -11.6595 -6.0320 -6.0250 -5.7761 -5.7702 -5.7633 -5.7615 -2.4465 -2.4456 0.3911 0.3982 0.5675 0.5701 0.8894 0.8955 2.2971 2.2976 2.4466 2.4605 2.5228 2.5344 3.1338 3.1479 3.3323 3.3457 3.5348 3.5462 3.6412 3.6746 3.7568 3.7695 4.3860 4.3956 4.4147 4.5551 4.6215 4.6265 4.7513 4.8163 5.0197 5.0368 5.1301 5.1395 5.3316 5.3575 5.4765 5.4946 5.8787 5.9252 6.0370 6.0584 10.2354 10.2396 10.4686 10.4703 10.8097 10.8113 12.5991 12.6025 13.5176 13.5228 13.7105 13.7108 k = 0.3000 0.3537 0.5645 ( 4518 PWs) bands (ev): -22.3136 -22.3136 -13.8697 -13.8696 -11.7631 -11.7611 -11.7348 -11.7329 -11.6631 -11.6598 -6.0327 -6.0241 -5.7776 -5.7703 -5.7623 -5.7602 -2.4490 -2.4480 0.3840 0.3920 0.5826 0.5857 0.8941 0.9010 2.2833 2.2834 2.4512 2.4672 2.5292 2.5435 3.1284 3.1444 3.3202 3.3358 3.5354 3.5461 3.6386 3.6749 3.7629 3.7779 4.3814 4.3876 4.4074 4.5691 4.6171 4.6285 4.7490 4.8182 5.0204 5.0377 5.1284 5.1387 5.3135 5.3390 5.4722 5.4891 5.8883 5.9374 6.0502 6.0748 10.1998 10.2053 10.4727 10.4745 10.8502 10.8519 12.6039 12.6081 13.4581 13.4625 13.6778 13.6780 k = 0.3071 0.3621 0.5515 ( 4516 PWs) bands (ev): -22.3136 -22.3136 -13.8695 -13.8694 -11.7636 -11.7614 -11.7343 -11.7319 -11.6642 -11.6602 -6.0334 -6.0232 -5.7791 -5.7704 -5.7613 -5.7587 -2.4519 -2.4507 0.3782 0.3870 0.5983 0.6017 0.8996 0.9072 2.2688 2.2690 2.4563 2.4741 2.5354 2.5525 3.1222 3.1399 3.3068 3.3245 3.5357 3.5451 3.6364 3.6749 3.7703 3.7874 4.3771 4.3795 4.4004 4.5788 4.6124 4.6336 4.7474 4.8169 5.0226 5.0383 5.1259 5.1372 5.2951 5.3181 5.4688 5.4846 5.9009 5.9513 6.0627 6.0906 10.1677 10.1744 10.4778 10.4797 10.8887 10.8906 12.6075 12.6125 13.3959 13.3994 13.6427 13.6428 k = 0.3143 0.3705 0.5385 ( 4524 PWs) bands (ev): -22.3136 -22.3136 -13.8693 -13.8691 -11.7641 -11.7617 -11.7339 -11.7310 -11.6654 -11.6608 -6.0341 -6.0221 -5.7805 -5.7705 -5.7602 -5.7571 -2.4551 -2.4539 0.3739 0.3834 0.6143 0.6182 0.9057 0.9141 2.2540 2.2544 2.4616 2.4813 2.5414 2.5614 3.1153 3.1343 3.2924 3.3118 3.5352 3.5426 3.6347 3.6746 3.7788 3.7980 4.3711 4.3725 4.3939 4.5832 4.6076 4.6430 4.7467 4.8118 5.0264 5.0385 5.1223 5.1349 5.2773 5.2960 5.4663 5.4811 5.9157 5.9666 6.0743 6.1056 10.1393 10.1472 10.4838 10.4857 10.9255 10.9276 12.6092 12.6148 13.3316 13.3344 13.6055 13.6057 k = 0.3214 0.3789 0.5255 ( 4522 PWs) bands (ev): -22.3136 -22.3136 -13.8689 -13.8688 -11.7646 -11.7620 -11.7336 -11.7302 -11.6667 -11.6614 -6.0348 -6.0211 -5.7819 -5.7706 -5.7590 -5.7554 -2.4587 -2.4574 0.3711 0.3814 0.6307 0.6349 0.9125 0.9216 2.2390 2.2397 2.4672 2.4886 2.5472 2.5700 3.1076 3.1278 3.2770 3.2978 3.5338 3.5385 3.6337 3.6743 3.7886 3.8097 4.3626 4.3674 4.3885 4.5829 4.6030 4.6558 4.7467 4.8030 5.0317 5.0382 5.1171 5.1320 5.2607 5.2742 5.4644 5.4786 5.9324 5.9830 6.0848 6.1196 10.1147 10.1238 10.4905 10.4924 10.9606 10.9630 12.6081 12.6141 13.2662 13.2688 13.5667 13.5673 k = 0.3286 0.3874 0.5125 ( 4524 PWs) bands (ev): -22.3136 -22.3136 -13.8685 -13.8683 -11.7650 -11.7622 -11.7335 -11.7295 -11.6682 -11.6622 -6.0354 -6.0199 -5.7833 -5.7706 -5.7578 -5.7536 -2.4627 -2.4613 0.3700 0.3810 0.6472 0.6519 0.9199 0.9297 2.2240 2.2250 2.4729 2.4959 2.5527 2.5783 3.0991 3.1202 3.2607 3.2827 3.5312 3.5329 3.6332 3.6741 3.7996 3.8225 4.3540 4.3613 4.3842 4.5796 4.5985 4.6701 4.7475 4.7907 5.0370 5.0379 5.1102 5.1285 5.2458 5.2536 5.4630 5.4770 5.9506 6.0003 6.0941 6.1324 10.0941 10.1045 10.4979 10.4998 10.9944 10.9970 12.6032 12.6093 13.2008 13.2038 13.5267 13.5277 k = 0.3357 0.3958 0.4994 ( 4524 PWs) bands (ev): -22.3136 -22.3136 -13.8680 -13.8678 -11.7654 -11.7624 -11.7335 -11.7289 -11.6698 -11.6631 -6.0360 -6.0187 -5.7845 -5.7706 -5.7566 -5.7517 -2.4670 -2.4656 0.3706 0.3824 0.6639 0.6691 0.9279 0.9383 2.2090 2.2102 2.4788 2.5034 2.5579 2.5863 3.0898 3.1115 3.2437 3.2665 3.5256 3.5271 3.6332 3.6740 3.8118 3.8365 4.3454 4.3544 4.3810 4.5745 4.5944 4.6848 4.7492 4.7755 5.0345 5.0444 5.1015 5.1246 5.2326 5.2353 5.4622 5.4763 5.9699 6.0184 6.1020 6.1441 10.0778 10.0894 10.5058 10.5077 11.0268 11.0297 12.5934 12.5990 13.1367 13.1408 13.4857 13.4870 k = 0.3429 0.4042 0.4864 ( 4528 PWs) bands (ev): -22.3135 -22.3135 -13.8674 -13.8672 -11.7657 -11.7625 -11.7336 -11.7285 -11.6716 -11.6641 -6.0365 -6.0175 -5.7856 -5.7705 -5.7553 -5.7497 -2.4717 -2.4703 0.3731 0.3856 0.6807 0.6863 0.9364 0.9475 2.1940 2.1955 2.4848 2.5109 2.5628 2.5938 3.0797 3.1019 3.2259 3.2493 3.5169 3.5215 3.6335 3.6743 3.8250 3.8516 4.3368 4.3468 4.3785 4.5682 4.5905 4.6989 4.7518 4.7580 5.0298 5.0503 5.0915 5.1211 5.2197 5.2209 5.4622 5.4765 5.9903 6.0372 6.1084 6.1544 10.0657 10.0785 10.5143 10.5161 11.0580 11.0613 12.5774 12.5819 13.0753 13.0814 13.4437 13.4455 k = 0.3500 0.4126 0.4734 ( 4534 PWs) bands (ev): -22.3135 -22.3135 -13.8667 -13.8665 -11.7660 -11.7625 -11.7338 -11.7282 -11.6735 -11.6653 -6.0369 -6.0162 -5.7866 -5.7704 -5.7540 -5.7477 -2.4767 -2.4752 0.3774 0.3907 0.6975 0.7036 0.9454 0.9571 2.1791 2.1808 2.4910 2.5185 2.5674 2.6010 3.0688 3.0912 3.2076 3.2312 3.5069 3.5142 3.6339 3.6749 3.8391 3.8676 4.3282 4.3389 4.3762 4.5610 4.5870 4.7115 4.7390 4.7558 5.0220 5.0544 5.0818 5.1190 5.2068 5.2104 5.4628 5.4778 6.0115 6.0565 6.1133 6.1633 10.0581 10.0720 10.5231 10.5248 11.0881 11.0918 12.5539 12.5566 13.0182 13.0272 13.4010 13.4033 k = 0.3571 0.4210 0.4604 ( 4537 PWs) bands (ev): -22.3135 -22.3135 -13.8659 -13.8657 -11.7663 -11.7625 -11.7342 -11.7280 -11.6755 -11.6666 -6.0373 -6.0149 -5.7874 -5.7702 -5.7527 -5.7456 -2.4820 -2.4806 0.3836 0.3977 0.7142 0.7209 0.9549 0.9673 2.1644 2.1663 2.4974 2.5262 2.5718 2.6077 3.0571 3.0794 3.1887 3.2124 3.4957 3.5053 3.6344 3.6760 3.8541 3.8845 4.3196 4.3309 4.3739 4.5533 4.5839 4.7190 4.7217 4.7616 5.0103 5.0554 5.0736 5.1192 5.1959 5.2007 5.4644 5.4802 6.0334 6.0763 6.1165 6.1708 10.0549 10.0700 10.5323 10.5339 11.1172 11.1213 12.5218 12.5220 12.9668 12.9796 13.3577 13.3605 k = 0.3643 0.4295 0.4474 ( 4539 PWs) bands (ev): -22.3135 -22.3135 -13.8650 -13.8648 -11.7665 -11.7624 -11.7347 -11.7281 -11.6777 -11.6680 -6.0375 -6.0136 -5.7880 -5.7700 -5.7514 -5.7435 -2.4876 -2.4862 0.3916 0.4065 0.7309 0.7381 0.9648 0.9778 2.1498 2.1518 2.5040 2.5341 2.5759 2.6140 3.0447 3.0668 3.1694 3.1928 3.4834 3.4947 3.6349 3.6775 3.8698 3.9021 4.3111 4.3229 4.3715 4.5453 4.5811 4.6988 4.7289 4.7697 4.9950 5.0530 5.0675 5.1222 5.1867 5.1914 5.4669 5.4837 6.0560 6.0961 6.1181 6.1771 10.0562 10.0724 10.5418 10.5432 11.1451 11.1498 12.4781 12.4807 12.9219 12.9389 13.3138 13.3171 k = 0.3714 0.4379 0.4344 ( 4547 PWs) bands (ev): -22.3135 -22.3135 -13.8640 -13.8637 -11.7667 -11.7622 -11.7353 -11.7283 -11.6800 -11.6696 -6.0376 -6.0122 -5.7885 -5.7697 -5.7500 -5.7414 -2.4934 -2.4921 0.4014 0.4172 0.7474 0.7551 0.9751 0.9888 2.1353 2.1375 2.5108 2.5420 2.5798 2.6200 3.0316 3.0532 3.1498 3.1727 3.4701 3.4824 3.6354 3.6794 3.8860 3.9201 4.3028 4.3149 4.3689 4.5371 4.5786 4.6786 4.7333 4.7793 4.9773 5.0476 5.0629 5.1271 5.1786 5.1824 5.4705 5.4882 6.0789 6.1157 6.1182 6.1825 10.0620 10.0792 10.5515 10.5528 11.1719 11.1772 12.4258 12.4311 12.8834 12.9045 13.2693 13.2733 k = 0.3786 0.4463 0.4213 ( 4551 PWs) bands (ev): -22.3135 -22.3135 -13.8629 -13.8626 -11.7668 -11.7619 -11.7360 -11.7288 -11.6824 -11.6713 -6.0376 -6.0109 -5.7887 -5.7694 -5.7487 -5.7393 -2.4995 -2.4983 0.4131 0.4298 0.7637 0.7720 0.9857 1.0000 2.1209 2.1233 2.5178 2.5501 2.5836 2.6256 3.0177 3.0388 3.1299 3.1522 3.4557 3.4685 3.6359 3.6819 3.9027 3.9384 4.2947 4.3071 4.3661 4.5288 4.5763 4.6592 4.7356 4.7896 4.9584 5.0402 5.0592 5.1326 5.1713 5.1741 5.4750 5.4938 6.1003 6.1187 6.1338 6.1882 10.0722 10.0903 10.5615 10.5626 11.1974 11.2033 12.3669 12.3744 12.8503 12.8752 13.2245 13.2290 k = 0.3857 0.4547 0.4083 ( 4549 PWs) bands (ev): -22.3134 -22.3134 -13.8618 -13.8614 -11.7670 -11.7616 -11.7368 -11.7293 -11.6849 -11.6732 -6.0375 -6.0095 -5.7888 -5.7690 -5.7474 -5.7372 -2.5059 -2.5046 0.4265 0.4441 0.7798 0.7887 0.9966 1.0116 2.1067 2.1092 2.5250 2.5583 2.5873 2.6309 3.0031 3.0236 3.1099 3.1315 3.4402 3.4529 3.6364 3.6848 3.9196 3.9568 4.2869 4.2992 4.3635 4.5204 4.5742 4.6407 4.7365 4.7994 4.9392 5.0314 5.0559 5.1362 5.1649 5.1678 5.4805 5.5003 6.1073 6.1326 6.1482 6.1965 10.0868 10.1058 10.5716 10.5726 11.2212 11.2279 12.3034 12.3126 12.8212 12.8496 13.1794 13.1845 k = 0.3929 0.4631 0.3953 ( 4547 PWs) bands (ev): -22.3134 -22.3134 -13.8605 -13.8602 -11.7671 -11.7612 -11.7377 -11.7301 -11.6874 -11.6751 -6.0372 -6.0082 -5.7887 -5.7686 -5.7460 -5.7351 -2.5124 -2.5112 0.4415 0.4602 0.7956 0.8051 1.0077 1.0234 2.0927 2.0953 2.5324 2.5667 2.5909 2.6359 2.9879 3.0078 3.0899 3.1106 3.4236 3.4357 3.6370 3.6882 3.9367 3.9749 4.2795 4.2913 4.3612 4.5121 4.5719 4.6236 4.7361 4.8079 4.9208 5.0218 5.0528 5.1345 5.1593 5.1667 5.4869 5.5075 6.1029 6.1559 6.1566 6.2102 10.1057 10.1255 10.5819 10.5827 11.2430 11.2506 12.2374 12.2478 12.7950 12.8263 13.1340 13.1396 k = 0.4000 0.4716 0.3823 ( 4543 PWs) bands (ev): -22.3134 -22.3134 -13.8592 -13.8588 -11.7673 -11.7608 -11.7385 -11.7311 -11.6900 -11.6772 -6.0368 -6.0069 -5.7883 -5.7681 -5.7447 -5.7330 -2.5191 -2.5180 0.4582 0.4779 0.8111 0.8212 1.0189 1.0354 2.0789 2.0815 2.5401 2.5752 2.5945 2.6406 2.9722 2.9914 3.0701 3.0899 3.4058 3.4170 3.6377 3.6922 3.9538 3.9926 4.2726 4.2831 4.3596 4.5038 4.5689 4.6085 4.7347 4.8141 4.9042 5.0115 5.0494 5.1269 5.1549 5.1709 5.4941 5.5154 6.0957 6.1572 6.1825 6.2292 10.1287 10.1492 10.5925 10.5930 11.2622 11.2709 12.1707 12.1818 12.7703 12.8042 13.0884 13.0946 k = 0.4071 0.4800 0.3693 ( 4543 PWs) bands (ev): -22.3133 -22.3133 -13.8578 -13.8574 -11.7675 -11.7603 -11.7394 -11.7322 -11.6926 -11.6794 -6.0362 -6.0056 -5.7878 -5.7675 -5.7435 -5.7310 -2.5259 -2.5249 0.4763 0.4971 0.8262 0.8369 1.0303 1.0475 2.0653 2.0679 2.5480 2.5838 2.5982 2.6452 2.9559 2.9746 3.0504 3.0693 3.3869 3.3966 3.6387 3.6967 3.9707 4.0095 4.2662 4.2746 4.3590 4.4956 4.5644 4.5961 4.7320 4.8162 4.8910 5.0008 5.0459 5.1164 5.1518 5.1775 5.5019 5.5238 6.0864 6.1542 6.2093 6.2513 10.1557 10.1768 10.6032 10.6035 11.2780 11.2878 12.1053 12.1167 12.7466 12.7827 13.0426 13.0494 k = 0.4143 0.4884 0.3562 ( 4535 PWs) bands (ev): -22.3133 -22.3133 -13.8563 -13.8560 -11.7678 -11.7597 -11.7402 -11.7335 -11.6953 -11.6817 -6.0355 -6.0043 -5.7871 -5.7669 -5.7422 -5.7291 -2.5328 -2.5319 0.4958 0.5178 0.8410 0.8523 1.0417 1.0597 2.0519 2.0545 2.5560 2.5925 2.6020 2.6496 2.9392 2.9575 3.0311 3.0492 3.3668 3.3748 3.6399 3.7017 3.9875 4.0254 4.2604 4.2657 4.3597 4.4875 4.5574 4.5874 4.7282 4.8123 4.8832 4.9897 5.0421 5.1048 5.1502 5.1849 5.5101 5.5324 6.0755 6.1484 6.2368 6.2752 10.1865 10.2081 10.6141 10.6142 11.2892 11.3004 12.0429 12.0542 12.7232 12.7613 12.9969 13.0042 k = 0.4214 0.4968 0.3432 ( 4527 PWs) bands (ev): -22.3133 -22.3133 -13.8549 -13.8545 -11.7682 -11.7591 -11.7409 -11.7349 -11.6979 -11.6840 -6.0347 -6.0031 -5.7861 -5.7663 -5.7410 -5.7272 -2.5397 -2.5389 0.5165 0.5397 0.8553 0.8672 1.0531 1.0719 2.0387 2.0413 2.5641 2.6011 2.6060 2.6539 2.9223 2.9402 3.0123 3.0295 3.3455 3.3515 3.6415 3.7073 4.0038 4.0400 4.2553 4.2564 4.3619 4.4794 4.5482 4.5822 4.7229 4.8023 4.8810 4.9783 5.0383 5.0928 5.1503 5.1923 5.5186 5.5411 6.0629 6.1402 6.2649 6.3002 10.2209 10.2429 10.6251 10.6252 11.2945 11.3072 11.9856 11.9965 12.6999 12.7396 12.9511 12.9591 k = 0.4286 0.5052 0.3302 ( 4530 PWs) bands (ev): -22.3132 -22.3132 -13.8534 -13.8530 -11.7687 -11.7585 -11.7415 -11.7365 -11.7004 -11.6864 -6.0337 -6.0019 -5.7850 -5.7656 -5.7399 -5.7255 -2.5467 -2.5460 0.5384 0.5629 0.8691 0.8816 1.0644 1.0840 2.0258 2.0284 2.5723 2.6097 2.6102 2.6583 2.9051 2.9230 2.9939 3.0104 3.3230 3.3270 3.6433 3.7134 4.0197 4.0530 4.2470 4.2509 4.3654 4.4715 4.5379 4.5789 4.7160 4.7880 4.8823 4.9664 5.0348 5.0810 5.1521 5.1995 5.5272 5.5498 6.0487 6.1302 6.2935 6.3261 10.2587 10.2809 10.6363 10.6365 11.2921 11.3065 11.9354 11.9457 12.6765 12.7176 12.9055 12.9140 k = 0.4357 0.5137 0.3172 ( 4523 PWs) bands (ev): -22.3132 -22.3132 -13.8518 -13.8515 -11.7693 -11.7579 -11.7420 -11.7382 -11.7029 -11.6889 -6.0326 -6.0008 -5.7838 -5.7648 -5.7388 -5.7238 -2.5537 -2.5531 0.5612 0.5871 0.8825 0.8956 1.0755 1.0959 2.0132 2.0157 2.5803 2.6150 2.6181 2.6627 2.8879 2.9059 2.9763 2.9921 3.2995 3.3012 3.6457 3.7200 4.0350 4.0644 4.2376 4.2473 4.3702 4.4637 4.5279 4.5766 4.7073 4.7719 4.8849 4.9542 5.0322 5.0699 5.1555 5.2066 5.5358 5.5583 6.0332 6.1185 6.3225 6.3525 10.2996 10.3220 10.6477 10.6481 11.2805 11.2967 11.8943 11.9037 12.6529 12.6951 12.8601 12.8691 k = 0.4429 0.5221 0.3042 ( 4523 PWs) bands (ev): -22.3131 -22.3131 -13.8503 -13.8499 -11.7700 -11.7573 -11.7423 -11.7399 -11.7053 -11.6913 -6.0314 -5.9998 -5.7823 -5.7641 -5.7377 -5.7223 -2.5607 -2.5601 0.5849 0.6121 0.8953 0.9090 1.0863 1.1077 2.0010 2.0033 2.5880 2.6202 2.6260 2.6673 2.8708 2.8892 2.9593 2.9746 3.2744 3.2751 3.6484 3.7271 4.0496 4.0738 4.2284 4.2446 4.3758 4.4561 4.5186 4.5746 4.6966 4.7551 4.8873 4.9413 5.0309 5.0599 5.1602 5.2132 5.5442 5.5664 6.0163 6.1054 6.3518 6.3793 10.3434 10.3657 10.6594 10.6600 11.2586 11.2765 11.8636 11.8722 12.6292 12.6724 12.8151 12.8245 k = 0.4500 0.5305 0.2912 ( 4523 PWs) bands (ev): -22.3131 -22.3131 -13.8488 -13.8485 -11.7709 -11.7568 -11.7425 -11.7417 -11.7076 -11.6938 -6.0301 -5.9989 -5.7807 -5.7633 -5.7368 -5.7210 -2.5676 -2.5671 0.6092 0.6378 0.9076 0.9219 1.0969 1.1192 1.9891 1.9913 2.5953 2.6262 2.6332 2.6724 2.8539 2.8730 2.9431 2.9579 3.2469 3.2498 3.6516 3.7347 4.0634 4.0813 4.2197 4.2426 4.3820 4.4488 4.5104 4.5728 4.6837 4.7386 4.8886 4.9280 5.0318 5.0515 5.1661 5.2194 5.5522 5.5742 5.9982 6.0909 6.3812 6.4064 10.3896 10.4118 10.6714 10.6723 11.2263 11.2457 11.8435 11.8514 12.6056 12.6495 12.7705 12.7803 k = 0.4571 0.5389 0.2781 ( 4525 PWs) bands (ev): -22.3131 -22.3131 -13.8474 -13.8470 -11.7718 -11.7564 -11.7434 -11.7424 -11.7097 -11.6963 -6.0288 -5.9980 -5.7790 -5.7625 -5.7359 -5.7198 -2.5744 -2.5740 0.6339 0.6640 0.9193 0.9342 1.1071 1.1302 1.9776 1.9797 2.6018 2.6330 2.6395 2.6782 2.8374 2.8574 2.9278 2.9420 3.2187 3.2240 3.6552 3.7426 4.0763 4.0867 4.2117 4.2415 4.3881 4.4419 4.5036 4.5709 4.6685 4.7227 4.8881 4.9140 5.0350 5.0451 5.1729 5.2251 5.5599 5.5816 5.9791 6.0752 6.4105 6.4335 10.4379 10.4598 10.6838 10.6848 11.1848 11.2054 11.8331 11.8407 12.5821 12.6265 12.7265 12.7366 k = 0.4643 0.5473 0.2651 ( 4519 PWs) bands (ev): -22.3130 -22.3130 -13.8460 -13.8456 -11.7728 -11.7561 -11.7448 -11.7423 -11.7117 -11.6988 -6.0273 -5.9972 -5.7772 -5.7616 -5.7351 -5.7187 -2.5810 -2.5807 0.6589 0.6905 0.9304 0.9459 1.1168 1.1409 1.9665 1.9684 2.6077 2.6406 2.6445 2.6847 2.8215 2.8425 2.9134 2.9271 3.1903 3.1978 3.6593 3.7510 4.0882 4.0901 4.2044 4.2413 4.3938 4.4355 4.4984 4.5691 4.6512 4.7078 4.8859 4.8994 5.0409 5.0409 5.1806 5.2304 5.5671 5.5885 5.9590 6.0585 6.4397 6.4606 10.4878 10.5091 10.6966 10.6978 11.1361 11.1576 11.8308 11.8383 12.5590 12.6036 12.6832 12.6936 k = 0.4714 0.5558 0.2521 ( 4518 PWs) bands (ev): -22.3130 -22.3130 -13.8446 -13.8443 -11.7738 -11.7563 -11.7460 -11.7420 -11.7136 -11.7012 -6.0258 -5.9965 -5.7753 -5.7608 -5.7344 -5.7178 -2.5875 -2.5873 0.6840 0.7172 0.9409 0.9569 1.1260 1.1510 1.9559 1.9577 2.6128 2.6483 2.6489 2.6920 2.8064 2.8284 2.9000 2.9131 3.1619 3.1715 3.6639 3.7597 4.0915 4.0989 4.1980 4.2418 4.3984 4.4298 4.4950 4.5672 4.6321 4.6936 4.8820 4.8845 5.0391 5.0492 5.1889 5.2352 5.5738 5.5948 5.9380 6.0408 6.4684 6.4873 10.5384 10.5589 10.7098 10.7112 11.0827 11.1049 11.8346 11.8422 12.5366 12.5811 12.6408 12.6514 k = 0.4786 0.5642 0.2391 ( 4520 PWs) bands (ev): -22.3130 -22.3130 -13.8434 -13.8430 -11.7748 -11.7568 -11.7467 -11.7415 -11.7153 -11.7035 -6.0243 -5.9959 -5.7733 -5.7599 -5.7337 -5.7171 -2.5938 -2.5937 0.7090 0.7437 0.9509 0.9674 1.1347 1.1605 1.9458 1.9474 2.6173 2.6508 2.6577 2.7000 2.7920 2.8152 2.8875 2.8999 3.1337 3.1454 3.6689 3.7686 4.0912 4.1083 4.1924 4.2430 4.4017 4.4249 4.4933 4.5654 4.6119 4.6800 4.8693 4.8766 5.0399 5.0595 5.1977 5.2394 5.5799 5.6005 5.9163 6.0222 6.4964 6.5135 10.5883 10.6077 10.7235 10.7251 11.0274 11.0503 11.8428 11.8508 12.5149 12.5590 12.5995 12.6102 k = 0.4857 0.5726 0.2261 ( 4518 PWs) bands (ev): -22.3129 -22.3129 -13.8423 -13.8419 -11.7757 -11.7578 -11.7469 -11.7410 -11.7168 -11.7058 -6.0227 -5.9955 -5.7713 -5.7591 -5.7332 -5.7166 -2.6000 -2.5999 0.7336 0.7698 0.9602 0.9772 1.1426 1.1692 1.9363 1.9377 2.6212 2.6522 2.6666 2.7084 2.7788 2.8030 2.8760 2.8875 3.1063 3.1198 3.6744 3.7776 4.0895 4.1163 4.1875 4.2448 4.4038 4.4211 4.4931 4.5638 4.5910 4.6668 4.8541 4.8701 5.0431 5.0715 5.2069 5.2431 5.5854 5.6058 5.8939 6.0029 6.5237 6.5391 10.6345 10.6523 10.7376 10.7394 10.9745 10.9980 11.8541 11.8624 12.4943 12.5374 12.5598 12.5700 k = 0.4929 0.5810 0.2131 ( 4512 PWs) bands (ev): -22.3129 -22.3129 -13.8412 -13.8409 -11.7766 -11.7591 -11.7467 -11.7404 -11.7182 -11.7080 -6.0211 -5.9951 -5.7693 -5.7582 -5.7327 -5.7163 -2.6058 -2.6058 0.7577 0.7954 0.9688 0.9863 1.1498 1.1772 1.9274 1.9286 2.6247 2.6528 2.6754 2.7170 2.7668 2.7917 2.8653 2.8760 3.0798 3.0950 3.6803 3.7867 4.0867 4.1227 4.1829 4.2472 4.4048 4.4185 4.4938 4.5626 4.5698 4.6540 4.8391 4.8630 5.0488 5.0846 5.2166 5.2463 5.5902 5.6104 5.8711 5.9830 6.5500 6.5638 10.6698 10.6856 10.7523 10.7542 10.9316 10.9561 11.8675 11.8762 12.4749 12.5142 12.5239 12.5312 k = 0.5000 0.5895 0.2000 ( 4512 PWs) bands (ev): -22.3129 -22.3129 -13.8403 -13.8400 -11.7774 -11.7605 -11.7463 -11.7397 -11.7194 -11.7101 -6.0195 -5.9949 -5.7672 -5.7574 -5.7324 -5.7162 -2.6114 -2.6114 0.7811 0.8202 0.9769 0.9948 1.1562 1.1842 1.9191 1.9201 2.6278 2.6525 2.6837 2.7255 2.7565 2.7814 2.8555 2.8651 3.0548 3.0715 3.6867 3.7956 4.0831 4.1275 4.1786 4.2498 4.4052 4.4171 4.4948 4.5487 4.5620 4.6414 4.8247 4.8554 5.0569 5.0982 5.2268 5.2489 5.5945 5.6146 5.8479 5.9626 6.5750 6.5874 10.6803 10.6944 10.7672 10.7693 10.9138 10.9385 11.8822 11.8913 12.4569 12.4812 12.4939 12.5005 k = 0.5000 0.5895 0.2000 ( 4512 PWs) bands (ev): -22.3129 -22.3129 -13.8403 -13.8400 -11.7774 -11.7605 -11.7463 -11.7397 -11.7194 -11.7101 -6.0195 -5.9949 -5.7672 -5.7574 -5.7324 -5.7162 -2.6114 -2.6114 0.7811 0.8202 0.9769 0.9948 1.1562 1.1842 1.9191 1.9201 2.6278 2.6525 2.6837 2.7255 2.7565 2.7814 2.8555 2.8651 3.0548 3.0715 3.6867 3.7956 4.0831 4.1275 4.1786 4.2498 4.4052 4.4171 4.4948 4.5487 4.5620 4.6414 4.8247 4.8554 5.0569 5.0982 5.2268 5.2489 5.5945 5.6146 5.8479 5.9626 6.5750 6.5874 10.6803 10.6944 10.7672 10.7693 10.9138 10.9385 11.8822 11.8913 12.4569 12.4812 12.4939 12.5005 k = 0.5000 0.5895 0.1834 ( 4524 PWs) bands (ev): -22.3128 -22.3128 -13.8393 -13.8390 -11.7782 -11.7624 -11.7456 -11.7387 -11.7208 -11.7127 -6.0175 -5.9947 -5.7647 -5.7563 -5.7320 -5.7162 -2.6183 -2.6182 0.8100 0.8506 0.9867 1.0051 1.1633 1.1921 1.9092 1.9100 2.6309 2.6511 2.6923 2.7356 2.7462 2.7696 2.8444 2.8524 3.0245 3.0428 3.6952 3.8064 4.0783 4.1321 4.1736 4.2531 4.4051 4.4165 4.4958 4.5231 4.5616 4.6254 4.8069 4.8451 5.0699 5.1159 5.2404 5.2518 5.5992 5.6194 5.8180 5.9359 6.6052 6.6159 10.6711 10.6840 10.7863 10.7885 10.9139 10.9377 11.9024 11.9121 12.4342 12.4362 12.4481 12.4756 k = 0.5000 0.5895 0.1667 ( 4516 PWs) bands (ev): -22.3128 -22.3128 -13.8383 -13.8380 -11.7790 -11.7643 -11.7448 -11.7378 -11.7220 -11.7151 -6.0155 -5.9946 -5.7621 -5.7553 -5.7316 -5.7164 -2.6248 -2.6247 0.8377 0.8796 0.9965 1.0151 1.1696 1.1989 1.9000 1.9005 2.6329 2.6484 2.6970 2.7407 2.7435 2.7603 2.8356 2.8415 2.9958 3.0154 3.7039 3.8159 4.0741 4.1358 4.1693 4.2559 4.4052 4.4168 4.4963 4.4999 4.5610 4.6092 4.7902 4.8344 5.0856 5.1334 5.2544 5.2548 5.6033 5.6238 5.7883 5.9091 6.6335 6.6426 10.6619 10.6735 10.8052 10.8075 10.9144 10.9370 11.9239 11.9343 12.3930 12.4041 12.4109 12.4503 k = 0.5000 0.5895 0.1500 ( 4526 PWs) bands (ev): -22.3128 -22.3128 -13.8374 -13.8371 -11.7797 -11.7662 -11.7441 -11.7370 -11.7231 -11.7175 -6.0135 -5.9946 -5.7596 -5.7542 -5.7311 -5.7166 -2.6308 -2.6306 0.8640 0.9067 1.0061 1.0248 1.1748 1.2044 1.8915 1.8918 2.6337 2.6447 2.6971 2.7407 2.7437 2.7584 2.8290 2.8326 2.9689 2.9895 3.7127 3.8238 4.0711 4.1386 4.1658 4.2576 4.4057 4.4175 4.4797 4.4957 4.5596 4.5929 4.7748 4.8234 5.1035 5.1500 5.2567 5.2699 5.6069 5.6279 5.7591 5.8821 6.6595 6.6673 10.6529 10.6633 10.8237 10.8261 10.9153 10.9364 11.9462 11.9576 12.3521 12.3627 12.3867 12.4245 k = 0.5000 0.5895 0.1334 ( 4514 PWs) bands (ev): -22.3127 -22.3127 -13.8366 -13.8363 -11.7802 -11.7680 -11.7435 -11.7363 -11.7240 -11.7196 -6.0116 -5.9946 -5.7573 -5.7532 -5.7306 -5.7170 -2.6363 -2.6361 0.8887 0.9314 1.0159 1.0341 1.1792 1.2087 1.8837 1.8839 2.6330 2.6403 2.6946 2.7365 2.7441 2.7631 2.8248 2.8258 2.9441 2.9654 3.7219 3.8296 4.0700 4.1407 4.1629 4.2573 4.4071 4.4184 4.4638 4.4943 4.5569 4.5767 4.7615 4.8125 5.1233 5.1653 5.2588 5.2855 5.6098 5.6315 5.7308 5.8552 6.6833 6.6898 10.6445 10.6536 10.8416 10.8439 10.9165 10.9360 11.9692 11.9815 12.3142 12.3239 12.3623 12.3983 k = 0.5000 0.5895 0.1167 ( 4520 PWs) bands (ev): -22.3127 -22.3127 -13.8358 -13.8356 -11.7806 -11.7698 -11.7429 -11.7358 -11.7247 -11.7216 -6.0097 -5.9948 -5.7552 -5.7522 -5.7301 -5.7175 -2.6412 -2.6411 0.9114 0.9529 1.0260 1.0430 1.1828 1.2117 1.8767 1.8768 2.6310 2.6355 2.6917 2.7287 2.7482 2.7676 2.8213 2.8226 2.9219 2.9433 3.7311 3.8329 4.0713 4.1422 4.1605 4.2541 4.4095 4.4194 4.4528 4.4921 4.5522 4.5607 4.7506 4.8017 5.1442 5.1789 5.2609 5.3011 5.6121 5.6348 5.7041 5.8286 6.7046 6.7100 10.6366 10.6446 10.8585 10.8608 10.9180 10.9356 11.9925 12.0060 12.2794 12.2882 12.3376 12.3719 k = 0.5000 0.5895 0.1000 ( 4520 PWs) bands (ev): -22.3127 -22.3127 -13.8351 -13.8349 -11.7808 -11.7715 -11.7423 -11.7354 -11.7252 -11.7233 -6.0079 -5.9951 -5.7533 -5.7512 -5.7295 -5.7181 -2.6456 -2.6454 0.9320 0.9707 1.0367 1.0515 1.1856 1.2134 1.8705 1.8706 2.6281 2.6307 2.6896 2.7212 2.7516 2.7705 2.8191 2.8222 2.9026 2.9236 3.7404 3.8337 4.0754 4.1433 4.1587 4.2475 4.4129 4.4207 4.4471 4.4892 4.5451 4.5453 4.7425 4.7914 5.1658 5.1910 5.2631 5.3159 5.6137 5.6371 5.6802 5.8024 6.7234 6.7278 10.6296 10.6364 10.8741 10.8763 10.9198 10.9352 12.0161 12.0308 12.2483 12.2559 12.3129 12.3453 k = 0.5000 0.5895 0.0833 ( 4508 PWs) bands (ev): -22.3127 -22.3127 -13.8345 -13.8344 -11.7809 -11.7731 -11.7417 -11.7354 -11.7257 -11.7246 -6.0062 -5.9955 -5.7516 -5.7504 -5.7288 -5.7188 -2.6494 -2.6492 0.9502 0.9843 1.0480 1.0595 1.1878 1.2137 1.8652 1.8652 2.6247 2.6262 2.6884 2.7145 2.7540 2.7717 2.8190 2.8229 2.8865 2.9062 3.7500 3.8319 4.0823 4.1440 4.1573 4.2375 4.4175 4.4234 4.4456 4.4860 4.5301 4.5361 4.7372 4.7816 5.1868 5.2013 5.2661 5.3289 5.6146 5.6365 5.6623 5.7772 6.7395 6.7430 10.6235 10.6292 10.8881 10.8901 10.9216 10.9347 12.0398 12.0558 12.2213 12.2274 12.2883 12.3188 k = 0.5000 0.5895 0.0667 ( 4504 PWs) bands (ev): -22.3127 -22.3127 -13.8340 -13.8339 -11.7809 -11.7745 -11.7412 -11.7356 -11.7260 -11.7256 -6.0045 -5.9960 -5.7503 -5.7496 -5.7279 -5.7196 -2.6525 -2.6524 0.9658 0.9939 1.0591 1.0669 1.1898 1.2128 1.8609 1.8609 2.6213 2.6222 2.6880 2.7085 2.7554 2.7713 2.8202 2.8243 2.8740 2.8914 3.7596 3.8280 4.0918 4.1443 4.1564 4.2245 4.4231 4.4285 4.4465 4.4825 4.5158 4.5251 4.7345 4.7724 5.2057 5.2101 5.2710 5.3385 5.6147 5.6284 5.6560 5.7532 6.7529 6.7556 10.6185 10.6230 10.9002 10.9019 10.9235 10.9342 12.0634 12.0808 12.1988 12.2032 12.2640 12.2924 k = 0.5000 0.5895 0.0500 ( 4512 PWs) bands (ev): -22.3127 -22.3127 -13.8336 -13.8335 -11.7806 -11.7758 -11.7406 -11.7361 -11.7263 -11.7262 -6.0030 -5.9966 -5.7493 -5.7490 -5.7270 -5.7206 -2.6549 -2.6548 0.9787 0.9999 1.0690 1.0733 1.1918 1.2107 1.8574 1.8574 2.6184 2.6189 2.6883 2.7033 2.7565 2.7696 2.8222 2.8257 2.8651 2.8792 3.7693 3.8222 4.1032 4.1443 4.1561 4.2095 4.4296 4.4361 4.4485 4.4790 4.5024 4.5125 4.7341 4.7639 5.2173 5.2199 5.2796 5.3433 5.6139 5.6177 5.6578 5.7310 6.7633 6.7653 10.6147 10.6180 10.9101 10.9114 10.9255 10.9336 12.0867 12.1057 12.1812 12.1835 12.2402 12.2663 k = 0.5000 0.5895 0.0333 ( 4512 PWs) bands (ev): -22.3127 -22.3127 -13.8334 -13.8333 -11.7802 -11.7770 -11.7399 -11.7368 -11.7265 -11.7264 -6.0017 -5.9974 -5.7486 -5.7485 -5.7260 -5.7216 -2.6567 -2.6566 0.9888 1.0029 1.0767 1.0786 1.1942 1.2078 1.8549 1.8550 2.6161 2.6164 2.6891 2.6990 2.7577 2.7671 2.8243 2.8268 2.8597 2.8697 3.7789 3.8150 4.1159 4.1437 4.1567 4.1938 4.4367 4.4454 4.4514 4.4760 4.4903 4.4991 4.7357 4.7562 5.2232 5.2279 5.2927 5.3424 5.6105 5.6123 5.6629 5.7111 6.7710 6.7722 10.6120 10.6143 10.9175 10.9184 10.9273 10.9328 12.1095 12.1299 12.1685 12.1688 12.2176 12.2408 k = 0.5000 0.5895 0.0167 ( 4518 PWs) bands (ev): -22.3127 -22.3127 -13.8332 -13.8331 -11.7797 -11.7781 -11.7392 -11.7376 -11.7267 -11.7266 -6.0004 -5.9983 -5.7482 -5.7482 -5.7249 -5.7227 -2.6577 -2.6577 0.9962 1.0032 1.0815 1.0820 1.1971 1.2042 1.8535 1.8535 2.6147 2.6148 2.6906 2.6955 2.7593 2.7642 2.8261 2.8274 2.8577 2.8629 3.7885 3.8067 4.1281 4.1419 4.1594 4.1786 4.4438 4.4504 4.4592 4.4740 4.4806 4.4853 4.7389 4.7493 5.2276 5.2308 5.3083 5.3353 5.6076 5.6101 5.6703 5.6942 6.7757 6.7763 10.6107 10.6118 10.9220 10.9224 10.9290 10.9318 12.1308 12.1514 12.1577 12.1623 12.1990 12.2165 k = 0.5000 0.5895 0.0000 ( 4534 PWs) bands (ev): -22.3127 -22.3127 -13.8331 -13.8331 -11.7790 -11.7790 -11.7384 -11.7384 -11.7266 -11.7266 -5.9993 -5.9993 -5.7481 -5.7481 -5.7238 -5.7238 -2.6581 -2.6581 1.0010 1.0010 1.0832 1.0832 1.2005 1.2005 1.8530 1.8530 2.6142 2.6142 2.6927 2.6927 2.7615 2.7615 2.8271 2.8271 2.8588 2.8588 3.7978 3.7978 4.1373 4.1373 4.1663 4.1663 4.4491 4.4491 4.4716 4.4716 4.4750 4.4750 4.7435 4.7435 5.2303 5.2303 5.3234 5.3234 5.6081 5.6081 5.6806 5.6806 6.7774 6.7774 10.6106 10.6106 10.9237 10.9237 10.9305 10.9305 12.1475 12.1475 12.1611 12.1611 12.1974 12.1974 k = 0.0000 0.0000 0.6557 ( 4558 PWs) bands (ev): -22.3137 -22.3137 -13.8621 -13.8621 -11.7820 -11.7820 -11.7161 -11.7161 -11.6744 -11.6744 -6.0223 -6.0223 -5.7705 -5.7705 -5.7495 -5.7495 -2.4520 -2.4520 0.1800 0.1800 0.7857 0.7857 0.9278 0.9278 2.2311 2.2311 2.3315 2.3315 2.6389 2.6389 3.1905 3.1905 3.1979 3.1979 3.5667 3.5667 3.7110 3.7110 3.8008 3.8008 4.2881 4.2881 4.5129 4.5129 4.6580 4.6580 4.8225 4.8225 5.0282 5.0282 5.2533 5.2533 5.2897 5.2897 5.4588 5.4588 5.6726 5.6726 6.3468 6.3468 10.4625 10.4625 10.5052 10.5052 10.9909 10.9909 12.2615 12.2615 12.4885 12.4885 13.9689 13.9689 k = 0.0109 0.0128 0.6557 ( 4550 PWs) bands (ev): -22.3137 -22.3137 -13.8621 -13.8621 -11.7819 -11.7819 -11.7162 -11.7162 -11.6743 -11.6743 -6.0223 -6.0223 -5.7705 -5.7705 -5.7496 -5.7496 -2.4519 -2.4519 0.1807 0.1807 0.7849 0.7849 0.9275 0.9275 2.2318 2.2318 2.3316 2.3316 2.6385 2.6385 3.1899 3.1899 3.1990 3.1990 3.5669 3.5669 3.7106 3.7106 3.8006 3.8006 4.2884 4.2884 4.5130 4.5130 4.6579 4.6579 4.8225 4.8225 5.0282 5.0282 5.2531 5.2531 5.2888 5.2889 5.4608 5.4608 5.6722 5.6722 6.3458 6.3458 10.4624 10.4624 10.5054 10.5054 10.9868 10.9868 12.2688 12.2688 12.4893 12.4893 13.9685 13.9685 k = 0.0217 0.0256 0.6557 ( 4560 PWs) bands (ev): -22.3137 -22.3137 -13.8622 -13.8622 -11.7817 -11.7817 -11.7164 -11.7164 -11.6741 -11.6741 -6.0224 -6.0224 -5.7705 -5.7705 -5.7498 -5.7498 -2.4518 -2.4518 0.1826 0.1826 0.7826 0.7826 0.9268 0.9268 2.2337 2.2337 2.3318 2.3318 2.6375 2.6375 3.1885 3.1885 3.2015 3.2015 3.5673 3.5673 3.7093 3.7093 3.8000 3.8000 4.2891 4.2891 4.5134 4.5134 4.6575 4.6575 4.8223 4.8223 5.0278 5.0278 5.2522 5.2522 5.2866 5.2866 5.4666 5.4666 5.6708 5.6708 6.3428 6.3428 10.4620 10.4620 10.5058 10.5058 10.9749 10.9749 12.2902 12.2902 12.4917 12.4917 13.9673 13.9673 k = 0.0326 0.0384 0.6557 ( 4568 PWs) bands (ev): -22.3137 -22.3137 -13.8624 -13.8624 -11.7814 -11.7814 -11.7167 -11.7167 -11.6738 -11.6738 -6.0225 -6.0225 -5.7706 -5.7706 -5.7501 -5.7501 -2.4515 -2.4515 0.1859 0.1859 0.7789 0.7789 0.9256 0.9256 2.2368 2.2368 2.3322 2.3322 2.6357 2.6357 3.1869 3.1869 3.2051 3.2051 3.5682 3.5682 3.7072 3.7072 3.7990 3.7990 4.2904 4.2904 4.5139 4.5139 4.6570 4.6570 4.8221 4.8221 5.0271 5.0271 5.2503 5.2504 5.2839 5.2839 5.4756 5.4756 5.6686 5.6686 6.3378 6.3378 10.4612 10.4612 10.5065 10.5065 10.9560 10.9560 12.3244 12.3244 12.4962 12.4962 13.9654 13.9654 k = 0.0435 0.0513 0.6557 ( 4564 PWs) bands (ev): -22.3137 -22.3137 -13.8626 -13.8626 -11.7809 -11.7809 -11.7172 -11.7172 -11.6733 -11.6733 -6.0227 -6.0227 -5.7706 -5.7706 -5.7506 -5.7506 -2.4511 -2.4511 0.1904 0.1904 0.7736 0.7736 0.9239 0.9239 2.2412 2.2412 2.3327 2.3327 2.6333 2.6333 3.1852 3.1853 3.2097 3.2097 3.5694 3.5694 3.7044 3.7044 3.7976 3.7976 4.2922 4.2923 4.5147 4.5147 4.6562 4.6562 4.8217 4.8217 5.0263 5.0263 5.2470 5.2470 5.2818 5.2818 5.4875 5.4875 5.6656 5.6656 6.3309 6.3309 10.4602 10.4602 10.5075 10.5075 10.9315 10.9315 12.3690 12.3690 12.5034 12.5034 13.9628 13.9628 k = 0.0543 0.0641 0.6557 ( 4556 PWs) bands (ev): -22.3137 -22.3137 -13.8629 -13.8629 -11.7803 -11.7803 -11.7177 -11.7177 -11.6728 -11.6728 -6.0230 -6.0230 -5.7707 -5.7707 -5.7512 -5.7512 -2.4506 -2.4506 0.1962 0.1962 0.7669 0.7669 0.9218 0.9218 2.2468 2.2468 2.3334 2.3334 2.6303 2.6303 3.1835 3.1835 3.2151 3.2151 3.5709 3.5709 3.7008 3.7008 3.7959 3.7959 4.2947 4.2947 4.5156 4.5156 4.6553 4.6553 4.8211 4.8211 5.0252 5.0252 5.2418 5.2418 5.2811 5.2811 5.5016 5.5016 5.6618 5.6618 6.3220 6.3220 10.4590 10.4590 10.5088 10.5088 10.9027 10.9027 12.4193 12.4193 12.5165 12.5165 13.9596 13.9596 k = 0.0652 0.0769 0.6557 ( 4552 PWs) bands (ev): -22.3137 -22.3137 -13.8633 -13.8633 -11.7795 -11.7795 -11.7184 -11.7184 -11.6721 -11.6721 -6.0233 -6.0233 -5.7708 -5.7708 -5.7518 -5.7518 -2.4500 -2.4500 0.2032 0.2032 0.7589 0.7589 0.9193 0.9193 2.2534 2.2534 2.3343 2.3343 2.6265 2.6265 3.1816 3.1816 3.2214 3.2214 3.5725 3.5726 3.6966 3.6966 3.7938 3.7938 4.2977 4.2977 4.5165 4.5165 4.6541 4.6541 4.8203 4.8203 5.0242 5.0242 5.2351 5.2351 5.2820 5.2820 5.5174 5.5175 5.6573 5.6573 6.3114 6.3114 10.4576 10.4576 10.5104 10.5104 10.8711 10.8711 12.4632 12.4633 12.5455 12.5456 13.9559 13.9559 k = 0.0761 0.0897 0.6557 ( 4560 PWs) bands (ev): -22.3137 -22.3137 -13.8637 -13.8637 -11.7787 -11.7787 -11.7192 -11.7192 -11.6713 -11.6713 -6.0236 -6.0236 -5.7709 -5.7709 -5.7527 -5.7527 -2.4494 -2.4494 0.2114 0.2114 0.7494 0.7494 0.9166 0.9166 2.2611 2.2611 2.3352 2.3352 2.6221 2.6221 3.1795 3.1795 3.2286 3.2286 3.5743 3.5743 3.6918 3.6918 3.7913 3.7913 4.3012 4.3012 4.5174 4.5174 4.6528 4.6528 4.8191 4.8191 5.0230 5.0230 5.2273 5.2273 5.2843 5.2843 5.5346 5.5346 5.6521 5.6521 6.2989 6.2989 10.4559 10.4559 10.5123 10.5123 10.8378 10.8378 12.4882 12.4882 12.6015 12.6015 13.9517 13.9517 k = 0.0870 0.1025 0.6557 ( 4550 PWs) bands (ev): -22.3137 -22.3137 -13.8642 -13.8642 -11.7777 -11.7777 -11.7202 -11.7202 -11.6704 -11.6704 -6.0240 -6.0240 -5.7709 -5.7709 -5.7535 -5.7535 -2.4486 -2.4486 0.2208 0.2208 0.7387 0.7387 0.9136 0.9136 2.2698 2.2698 2.3363 2.3363 2.6171 2.6171 3.1774 3.1774 3.2366 3.2366 3.5762 3.5762 3.6866 3.6866 3.7886 3.7886 4.3054 4.3054 4.5181 4.5181 4.6513 4.6513 4.8175 4.8175 5.0220 5.0220 5.2189 5.2189 5.2878 5.2878 5.5527 5.5527 5.6466 5.6466 6.2848 6.2848 10.4542 10.4542 10.5145 10.5145 10.8039 10.8039 12.5019 12.5019 12.6751 12.6751 13.9471 13.9471 k = 0.0978 0.1153 0.6557 ( 4546 PWs) bands (ev): -22.3137 -22.3137 -13.8647 -13.8647 -11.7766 -11.7766 -11.7212 -11.7212 -11.6695 -11.6695 -6.0243 -6.0243 -5.7710 -5.7710 -5.7545 -5.7545 -2.4478 -2.4478 0.2313 0.2313 0.7267 0.7267 0.9103 0.9103 2.2793 2.2793 2.3374 2.3374 2.6113 2.6113 3.1752 3.1752 3.2454 3.2454 3.5780 3.5780 3.6811 3.6811 3.7855 3.7855 4.3103 4.3103 4.5185 4.5185 4.6497 4.6497 4.8154 4.8155 5.0211 5.0211 5.2104 5.2104 5.2924 5.2924 5.5710 5.5711 5.6413 5.6413 6.2691 6.2691 10.4525 10.4525 10.5170 10.5170 10.7701 10.7701 12.5119 12.5119 12.7571 12.7571 13.9422 13.9422 k = 0.1087 0.1281 0.6557 ( 4542 PWs) bands (ev): -22.3137 -22.3137 -13.8652 -13.8652 -11.7754 -11.7754 -11.7223 -11.7223 -11.6685 -11.6685 -6.0248 -6.0248 -5.7711 -5.7711 -5.7555 -5.7555 -2.4470 -2.4470 0.2429 0.2429 0.7136 0.7136 0.9070 0.9070 2.2896 2.2896 2.3387 2.3387 2.6050 2.6050 3.1729 3.1729 3.2548 3.2548 3.5796 3.5796 3.6754 3.6755 3.7822 3.7822 4.3158 4.3158 4.5185 4.5185 4.6480 4.6480 4.8130 4.8130 5.0203 5.0204 5.2019 5.2019 5.2979 5.2979 5.5879 5.5879 5.6376 5.6376 6.2518 6.2518 10.4507 10.4507 10.5197 10.5197 10.7371 10.7371 12.5206 12.5206 12.8439 12.8439 13.9370 13.9370 k = 0.1196 0.1410 0.6557 ( 4536 PWs) bands (ev): -22.3136 -22.3136 -13.8657 -13.8657 -11.7742 -11.7742 -11.7236 -11.7235 -11.6675 -11.6675 -6.0252 -6.0252 -5.7712 -5.7712 -5.7565 -5.7565 -2.4462 -2.4462 0.2555 0.2555 0.6994 0.6994 0.9036 0.9036 2.3006 2.3006 2.3401 2.3401 2.5980 2.5980 3.1705 3.1705 3.2649 3.2649 3.5806 3.5807 3.6700 3.6700 3.7787 3.7787 4.3219 4.3219 4.5180 4.5180 4.6463 4.6463 4.8101 4.8101 5.0199 5.0200 5.1935 5.1935 5.3043 5.3043 5.5987 5.5988 5.6403 5.6403 6.2332 6.2332 10.4490 10.4490 10.5225 10.5225 10.7054 10.7054 12.5286 12.5286 12.9333 12.9334 13.9315 13.9315 k = 0.1304 0.1538 0.6557 ( 4548 PWs) bands (ev): -22.3137 -22.3137 -13.8662 -13.8662 -11.7728 -11.7728 -11.7249 -11.7249 -11.6665 -11.6664 -6.0256 -6.0256 -5.7712 -5.7712 -5.7576 -5.7576 -2.4453 -2.4453 0.2690 0.2690 0.6842 0.6842 0.9002 0.9002 2.3119 2.3119 2.3416 2.3416 2.5904 2.5904 3.1681 3.1681 3.2754 3.2754 3.5809 3.5810 3.6650 3.6650 3.7750 3.7750 4.3286 4.3287 4.5168 4.5168 4.6444 4.6445 4.8067 4.8068 5.0198 5.0198 5.1855 5.1855 5.3113 5.3114 5.5991 5.5991 5.6535 5.6535 6.2132 6.2132 10.4475 10.4475 10.5255 10.5255 10.6753 10.6753 12.5360 12.5360 13.0241 13.0241 13.9257 13.9257 k = 0.1413 0.1666 0.6557 ( 4548 PWs) bands (ev): -22.3136 -22.3136 -13.8667 -13.8667 -11.7714 -11.7714 -11.7262 -11.7262 -11.6654 -11.6654 -6.0261 -6.0261 -5.7712 -5.7712 -5.7587 -5.7587 -2.4445 -2.4445 0.2835 0.2835 0.6682 0.6682 0.8968 0.8968 2.3234 2.3234 2.3437 2.3437 2.5823 2.5823 3.1658 3.1658 3.2864 3.2864 3.5803 3.5803 3.6607 3.6608 3.7711 3.7711 4.3361 4.3361 4.5149 4.5149 4.6426 4.6426 4.8031 4.8031 5.0200 5.0200 5.1778 5.1778 5.3191 5.3191 5.5932 5.5932 5.6732 5.6732 6.1921 6.1921 10.4463 10.4463 10.5285 10.5285 10.6471 10.6471 12.5429 12.5429 13.1147 13.1147 13.9196 13.9196 k = 0.1522 0.1794 0.6557 ( 4542 PWs) bands (ev): -22.3136 -22.3136 -13.8672 -13.8672 -11.7699 -11.7699 -11.7277 -11.7277 -11.6644 -11.6644 -6.0265 -6.0265 -5.7712 -5.7712 -5.7598 -5.7598 -2.4437 -2.4437 0.2988 0.2988 0.6514 0.6514 0.8936 0.8936 2.3337 2.3337 2.3472 2.3472 2.5736 2.5736 3.1636 3.1636 3.2976 3.2976 3.5783 3.5784 3.6576 3.6576 3.7672 3.7672 4.3442 4.3442 4.5121 4.5121 4.6409 4.6409 4.7993 4.7994 5.0205 5.0206 5.1706 5.1706 5.3275 5.3275 5.5848 5.5848 5.6956 5.6956 6.1700 6.1700 10.4454 10.4454 10.5315 10.5315 10.6209 10.6209 12.5492 12.5492 13.2041 13.2041 13.9130 13.9130 k = 0.1630 0.1922 0.6557 ( 4534 PWs) bands (ev): -22.3136 -22.3136 -13.8677 -13.8677 -11.7684 -11.7684 -11.7291 -11.7291 -11.6635 -11.6635 -6.0269 -6.0269 -5.7711 -5.7711 -5.7609 -5.7609 -2.4429 -2.4429 0.3148 0.3148 0.6339 0.6339 0.8905 0.8905 2.3400 2.3400 2.3551 2.3551 2.5644 2.5644 3.1614 3.1614 3.3089 3.3089 3.5750 3.5751 3.6556 3.6557 3.7632 3.7632 4.3529 4.3529 4.5083 4.5083 4.6392 4.6392 4.7956 4.7956 5.0214 5.0214 5.1640 5.1640 5.3364 5.3364 5.5755 5.5755 5.7193 5.7193 6.1470 6.1470 10.4450 10.4450 10.5342 10.5342 10.5971 10.5971 12.5550 12.5550 13.2908 13.2908 13.9058 13.9058 k = 0.1739 0.2050 0.6557 ( 4528 PWs) bands (ev): -22.3136 -22.3136 -13.8682 -13.8682 -11.7669 -11.7669 -11.7306 -11.7306 -11.6626 -11.6626 -6.0273 -6.0273 -5.7710 -5.7710 -5.7619 -5.7619 -2.4421 -2.4421 0.3314 0.3314 0.6159 0.6159 0.8877 0.8877 2.3427 2.3427 2.3665 2.3666 2.5547 2.5547 3.1594 3.1594 3.3201 3.3201 3.5704 3.5705 3.6548 3.6549 3.7593 3.7593 4.3622 4.3622 4.5036 4.5036 4.6377 4.6377 4.7918 4.7919 5.0224 5.0225 5.1578 5.1578 5.3456 5.3456 5.5656 5.5656 5.7438 5.7438 6.1232 6.1232 10.4451 10.4451 10.5361 10.5361 10.5760 10.5760 12.5600 12.5601 13.3737 13.3737 13.8976 13.8976 k = 0.1848 0.2178 0.6557 ( 4516 PWs) bands (ev): -22.3136 -22.3136 -13.8686 -13.8686 -11.7654 -11.7654 -11.7321 -11.7321 -11.6618 -11.6618 -6.0276 -6.0276 -5.7708 -5.7708 -5.7629 -5.7629 -2.4415 -2.4415 0.3486 0.3486 0.5976 0.5976 0.8852 0.8852 2.3443 2.3443 2.3792 2.3792 2.5446 2.5446 3.1576 3.1576 3.3310 3.3310 3.5649 3.5649 3.6550 3.6551 3.7555 3.7555 4.3719 4.3719 4.4979 4.4979 4.6362 4.6362 4.7884 4.7884 5.0237 5.0237 5.1523 5.1523 5.3549 5.3549 5.5556 5.5556 5.7688 5.7688 6.0988 6.0989 10.4460 10.4460 10.5357 10.5357 10.5591 10.5591 12.5645 12.5645 13.4516 13.4516 13.8882 13.8882 k = 0.1957 0.2307 0.6557 ( 4522 PWs) bands (ev): -22.3136 -22.3136 -13.8689 -13.8689 -11.7640 -11.7640 -11.7335 -11.7335 -11.6611 -11.6611 -6.0279 -6.0279 -5.7706 -5.7706 -5.7639 -5.7639 -2.4409 -2.4409 0.3661 0.3661 0.5790 0.5790 0.8829 0.8829 2.3454 2.3454 2.3920 2.3920 2.5342 2.5342 3.1559 3.1559 3.3413 3.3413 3.5588 3.5588 3.6559 3.6560 3.7520 3.7520 4.3819 4.3819 4.4912 4.4912 4.6349 4.6349 4.7853 4.7853 5.0250 5.0250 5.1474 5.1474 5.3641 5.3641 5.5457 5.5457 5.7940 5.7940 6.0741 6.0741 10.4476 10.4476 10.5282 10.5282 10.5512 10.5512 12.5681 12.5681 13.5235 13.5235 13.8772 13.8772 k = 0.2065 0.2435 0.6557 ( 4522 PWs) bands (ev): -22.3136 -22.3136 -13.8693 -13.8693 -11.7627 -11.7627 -11.7348 -11.7348 -11.6605 -11.6605 -6.0282 -6.0282 -5.7704 -5.7704 -5.7648 -5.7648 -2.4404 -2.4404 0.3836 0.3836 0.5606 0.5606 0.8810 0.8810 2.3463 2.3463 2.4047 2.4047 2.5238 2.5238 3.1546 3.1546 3.3506 3.3506 3.5526 3.5527 3.6572 3.6573 3.7488 3.7489 4.3922 4.3922 4.4838 4.4838 4.6338 4.6338 4.7826 4.7826 5.0263 5.0263 5.1433 5.1433 5.3728 5.3728 5.5364 5.5364 5.8192 5.8192 6.0492 6.0492 10.4501 10.4501 10.5153 10.5153 10.5503 10.5503 12.5712 12.5712 13.5884 13.5884 13.8640 13.8640 k = 0.2174 0.2563 0.6557 ( 4514 PWs) bands (ev): -22.3136 -22.3136 -13.8695 -13.8695 -11.7615 -11.7615 -11.7359 -11.7359 -11.6600 -11.6600 -6.0284 -6.0284 -5.7700 -5.7700 -5.7656 -5.7656 -2.4400 -2.4400 0.4008 0.4008 0.5426 0.5426 0.8795 0.8795 2.3470 2.3470 2.4167 2.4167 2.5135 2.5135 3.1535 3.1535 3.3586 3.3586 3.5470 3.5471 3.6586 3.6586 3.7462 3.7462 4.4023 4.4023 4.4758 4.4758 4.6329 4.6329 4.7804 4.7805 5.0274 5.0274 5.1400 5.1400 5.3806 5.3806 5.5281 5.5282 5.8439 5.8439 6.0247 6.0247 10.4536 10.4536 10.5023 10.5023 10.5511 10.5511 12.5735 12.5735 13.6459 13.6459 13.8480 13.8480 k = 0.2283 0.2691 0.6557 ( 4512 PWs) bands (ev): -22.3136 -22.3136 -13.8697 -13.8697 -11.7606 -11.7606 -11.7368 -11.7368 -11.6596 -11.6596 -6.0285 -6.0285 -5.7697 -5.7697 -5.7663 -5.7663 -2.4397 -2.4397 0.4168 0.4168 0.5262 0.5262 0.8784 0.8784 2.3475 2.3475 2.4275 2.4275 2.5040 2.5040 3.1528 3.1528 3.3648 3.3648 3.5425 3.5425 3.6597 3.6598 3.7441 3.7442 4.4118 4.4118 4.4678 4.4678 4.6323 4.6323 4.7789 4.7789 5.0283 5.0283 5.1376 5.1376 5.3870 5.3870 5.5215 5.5215 5.8672 5.8672 6.0015 6.0016 10.4583 10.4583 10.4905 10.4905 10.5520 10.5520 12.5751 12.5751 13.6956 13.6956 13.8285 13.8285 k = 0.2391 0.2819 0.6557 ( 4508 PWs) bands (ev): -22.3136 -22.3136 -13.8698 -13.8698 -11.7601 -11.7601 -11.7374 -11.7374 -11.6594 -11.6594 -6.0286 -6.0286 -5.7694 -5.7694 -5.7668 -5.7668 -2.4395 -2.4395 0.4294 0.4294 0.5133 0.5133 0.8778 0.8778 2.3478 2.3478 2.4356 2.4356 2.4967 2.4967 3.1523 3.1523 3.3687 3.3688 3.5395 3.5395 3.6606 3.6606 3.7428 3.7429 4.4196 4.4196 4.4610 4.4611 4.6319 4.6319 4.7779 4.7780 5.0289 5.0289 5.1361 5.1361 5.3912 5.3912 5.5171 5.5171 5.8866 5.8866 5.9823 5.9823 10.4641 10.4641 10.4803 10.4803 10.5526 10.5526 12.5761 12.5761 13.7375 13.7375 13.8051 13.8051 k = 0.2500 0.2947 0.6557 ( 4504 PWs) bands (ev): -22.3136 -22.3136 -13.8698 -13.8698 -11.7599 -11.7599 -11.7375 -11.7375 -11.6594 -11.6594 -6.0286 -6.0286 -5.7693 -5.7693 -5.7670 -5.7670 -2.4395 -2.4395 0.4346 0.4346 0.5079 0.5079 0.8775 0.8776 2.3479 2.3479 2.4388 2.4388 2.4937 2.4937 3.1521 3.1521 3.3701 3.3701 3.5384 3.5385 3.6608 3.6609 3.7424 3.7425 4.4229 4.4229 4.4580 4.4581 4.6318 4.6318 4.7776 4.7777 5.0291 5.0291 5.1356 5.1356 5.3927 5.3927 5.5156 5.5156 5.8951 5.8951 5.9738 5.9738 10.4705 10.4705 10.4725 10.4725 10.5528 10.5528 12.5764 12.5764 13.7650 13.7650 13.7837 13.7837 Writing output data file KAg2AsO4.save init_run : 1.02s CPU 0.62s WALL ( 1 calls) electrons : 453.54s CPU 373.83s WALL ( 1 calls) Called by init_run: wfcinit : 0.04s CPU 0.04s WALL ( 1 calls) potinit : 0.12s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 453.52s CPU 373.82s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.21s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.24s CPU 0.32s WALL ( 311 calls) cegterg : 391.58s CPU 338.42s WALL ( 459 calls) Called by sum_band: Called by *egterg: h_psi : 263.16s CPU 199.94s WALL ( 7637 calls) s_psi : 9.91s CPU 7.42s WALL ( 7637 calls) g_psi : 0.22s CPU 0.19s WALL ( 6867 calls) cdiaghg : 144.76s CPU 134.99s WALL ( 7178 calls) cegterg:over : 13.19s CPU 12.16s WALL ( 6867 calls) cegterg:upda : 7.28s CPU 6.62s WALL ( 6867 calls) cegterg:last : 4.17s CPU 4.19s WALL ( 1278 calls) cdiaghg:chol : 5.84s CPU 5.69s WALL ( 7178 calls) cdiaghg:inve : 3.96s CPU 4.00s WALL ( 7178 calls) cdiaghg:para : 8.19s CPU 7.90s WALL ( 14356 calls) Called by h_psi: h_psi:vloc : 238.81s CPU 180.68s WALL ( 7637 calls) h_psi:vnl : 24.14s CPU 19.06s WALL ( 7637 calls) add_vuspsi : 13.24s CPU 10.14s WALL ( 7637 calls) General routines calbec : 10.85s CPU 8.90s WALL ( 7637 calls) fft : 0.05s CPU 0.03s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 232.96s CPU 175.69s WALL ( 1106564 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.38s CPU 0.65s WALL ( 622 calls) Parallel routines fft_scatter : 141.24s CPU 115.52s WALL ( 1106587 calls) PWSCF : 8m10.56s CPU 7m11.81s WALL This run was terminated on: 12:24:51 15Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=