Program PWSCF v.5.1.1 starts on 28Jul2015 at 2: 9:11 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./BeF2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 122 48 13 6808 1702 255 Max 127 49 14 6810 1733 262 Sum 3919 1561 439 217889 55001 8279 bravais-lattice index = 14 lattice parameter (alat) = 8.9554 a.u. unit-cell volume = 680.8613 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 2 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 71.0000 Ry charge density cutoff = 711.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.955411 celldm(2)= 1.000000 celldm(3)= 1.094640 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.094640 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.913542 ) PseudoPot. # 1 for F read from file: /home/autes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 Be read from file: /home/autes/Pseudo/Be.rel-pbe-sl-rrkjus_psl.1.0.0.UPF MD5 check sum: 3d54b317f5f631cde3ecbcbec2334fee Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Be 4.00 9.01220 Be( 1.00) 6 Sym. Ops. (no inversion) found ( 4 have fractional translation) 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 = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.3333333 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3648801 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3648801 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.3333333 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3648801 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.3333333 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.3648801 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_3 (32) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 3C2' 2 5 -6 2C3 3 4 3C2' 6 -5 -2 -E -1 -2C3 -3 -4 Cartesian axes number of k points= 316 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0128205 0.0074019 -0.0000000), wk = 0.0031646 k( 3) = ( 0.0256410 0.0148039 -0.0000000), wk = 0.0031646 k( 4) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0031646 k( 5) = ( 0.0512821 0.0296077 -0.0000000), wk = 0.0031646 k( 6) = ( 0.0641026 0.0370096 -0.0000000), wk = 0.0031646 k( 7) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0031646 k( 8) = ( 0.0897436 0.0518135 -0.0000000), wk = 0.0031646 k( 9) = ( 0.1025641 0.0592154 -0.0000000), wk = 0.0031646 k( 10) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0031646 k( 11) = ( 0.1282051 0.0740193 -0.0000000), wk = 0.0031646 k( 12) = ( 0.1410256 0.0814212 -0.0000000), wk = 0.0031646 k( 13) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0031646 k( 14) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0031646 k( 15) = ( 0.1794872 0.1036270 -0.0000000), wk = 0.0031646 k( 16) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0031646 k( 17) = ( 0.2051282 0.1184308 -0.0000000), wk = 0.0031646 k( 18) = ( 0.2179487 0.1258328 -0.0000000), wk = 0.0031646 k( 19) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0031646 k( 20) = ( 0.2435897 0.1406366 -0.0000000), wk = 0.0031646 k( 21) = ( 0.2564103 0.1480385 -0.0000000), wk = 0.0031646 k( 22) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0031646 k( 23) = ( 0.2820513 0.1628424 -0.0000000), wk = 0.0031646 k( 24) = ( 0.2948718 0.1702443 -0.0000000), wk = 0.0031646 k( 25) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0031646 k( 26) = ( 0.3205128 0.1850482 -0.0000000), wk = 0.0031646 k( 27) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0031646 k( 28) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0031646 k( 29) = ( 0.3589744 0.2072539 -0.0000000), wk = 0.0031646 k( 30) = ( 0.3717949 0.2146559 -0.0000000), wk = 0.0031646 k( 31) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0031646 k( 32) = ( 0.3974359 0.2294597 -0.0000000), wk = 0.0031646 k( 33) = ( 0.4102564 0.2368616 -0.0000000), wk = 0.0031646 k( 34) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0031646 k( 35) = ( 0.4358974 0.2516655 -0.0000000), wk = 0.0031646 k( 36) = ( 0.4487179 0.2590674 -0.0000000), wk = 0.0031646 k( 37) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0031646 k( 38) = ( 0.4743590 0.2738713 -0.0000000), wk = 0.0031646 k( 39) = ( 0.4871795 0.2812732 -0.0000000), wk = 0.0031646 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031646 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031646 k( 42) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0031646 k( 43) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0031646 k( 44) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0031646 k( 45) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0031646 k( 46) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0031646 k( 47) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0031646 k( 48) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0031646 k( 49) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0031646 k( 50) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0031646 k( 51) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0031646 k( 52) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0031646 k( 53) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0031646 k( 54) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0031646 k( 55) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0031646 k( 56) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0031646 k( 57) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0031646 k( 58) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0031646 k( 59) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0031646 k( 60) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0031646 k( 61) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0031646 k( 62) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0031646 k( 63) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0031646 k( 64) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031646 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031646 k( 66) = ( 0.3259259 0.5645203 -0.0000000), wk = 0.0031646 k( 67) = ( 0.3185185 0.5516903 -0.0000000), wk = 0.0031646 k( 68) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0031646 k( 69) = ( 0.3037037 0.5260302 -0.0000000), wk = 0.0031646 k( 70) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0031646 k( 71) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0031646 k( 72) = ( 0.2814815 0.4875402 -0.0000000), wk = 0.0031646 k( 73) = ( 0.2740741 0.4747102 -0.0000000), wk = 0.0031646 k( 74) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0031646 k( 75) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0031646 k( 76) = ( 0.2518518 0.4362202 -0.0000000), wk = 0.0031646 k( 77) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0031646 k( 78) = ( 0.2370370 0.4105602 -0.0000000), wk = 0.0031646 k( 79) = ( 0.2296296 0.3977302 -0.0000000), wk = 0.0031646 k( 80) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0031646 k( 81) = ( 0.2148148 0.3720702 -0.0000000), wk = 0.0031646 k( 82) = ( 0.2074074 0.3592402 -0.0000000), wk = 0.0031646 k( 83) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0031646 k( 84) = ( 0.1925926 0.3335802 -0.0000000), wk = 0.0031646 k( 85) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0031646 k( 86) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0031646 k( 87) = ( 0.1703704 0.2950901 -0.0000000), wk = 0.0031646 k( 88) = ( 0.1629630 0.2822601 -0.0000000), wk = 0.0031646 k( 89) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0031646 k( 90) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0031646 k( 91) = ( 0.1407407 0.2437701 -0.0000000), wk = 0.0031646 k( 92) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0031646 k( 93) = ( 0.1259259 0.2181101 -0.0000000), wk = 0.0031646 k( 94) = ( 0.1185185 0.2052801 -0.0000000), wk = 0.0031646 k( 95) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0031646 k( 96) = ( 0.1037037 0.1796201 -0.0000000), wk = 0.0031646 k( 97) = ( 0.0962963 0.1667901 -0.0000000), wk = 0.0031646 k( 98) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0031646 k( 99) = ( 0.0814815 0.1411301 -0.0000000), wk = 0.0031646 k( 100) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0031646 k( 101) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0031646 k( 102) = ( 0.0592593 0.1026400 -0.0000000), wk = 0.0031646 k( 103) = ( 0.0518518 0.0898100 -0.0000000), wk = 0.0031646 k( 104) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0031646 k( 105) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0031646 k( 106) = ( 0.0296296 0.0513200 -0.0000000), wk = 0.0031646 k( 107) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0031646 k( 108) = ( 0.0148148 0.0256600 -0.0000000), wk = 0.0031646 k( 109) = ( 0.0074074 0.0128300 -0.0000000), wk = 0.0031646 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 112) = ( 0.0000000 0.0000000 0.0147345), wk = 0.0031646 k( 113) = ( 0.0000000 0.0000000 0.0294691), wk = 0.0031646 k( 114) = ( 0.0000000 0.0000000 0.0442037), wk = 0.0031646 k( 115) = ( 0.0000000 0.0000000 0.0589382), wk = 0.0031646 k( 116) = ( 0.0000000 0.0000000 0.0736728), wk = 0.0031646 k( 117) = ( 0.0000000 0.0000000 0.0884073), wk = 0.0031646 k( 118) = ( 0.0000000 0.0000000 0.1031419), wk = 0.0031646 k( 119) = ( 0.0000000 0.0000000 0.1178764), wk = 0.0031646 k( 120) = ( 0.0000000 0.0000000 0.1326110), wk = 0.0031646 k( 121) = ( 0.0000000 0.0000000 0.1473455), wk = 0.0031646 k( 122) = ( 0.0000000 0.0000000 0.1620801), wk = 0.0031646 k( 123) = ( 0.0000000 0.0000000 0.1768146), wk = 0.0031646 k( 124) = ( 0.0000000 0.0000000 0.1915492), wk = 0.0031646 k( 125) = ( 0.0000000 0.0000000 0.2062837), wk = 0.0031646 k( 126) = ( 0.0000000 0.0000000 0.2210183), wk = 0.0031646 k( 127) = ( 0.0000000 0.0000000 0.2357528), wk = 0.0031646 k( 128) = ( 0.0000000 0.0000000 0.2504874), wk = 0.0031646 k( 129) = ( 0.0000000 0.0000000 0.2652219), wk = 0.0031646 k( 130) = ( 0.0000000 0.0000000 0.2799565), wk = 0.0031646 k( 131) = ( 0.0000000 0.0000000 0.2946910), wk = 0.0031646 k( 132) = ( 0.0000000 0.0000000 0.3094256), wk = 0.0031646 k( 133) = ( 0.0000000 0.0000000 0.3241601), wk = 0.0031646 k( 134) = ( 0.0000000 0.0000000 0.3388947), wk = 0.0031646 k( 135) = ( 0.0000000 0.0000000 0.3536292), wk = 0.0031646 k( 136) = ( 0.0000000 0.0000000 0.3683638), wk = 0.0031646 k( 137) = ( 0.0000000 0.0000000 0.3830983), wk = 0.0031646 k( 138) = ( 0.0000000 0.0000000 0.3978329), wk = 0.0031646 k( 139) = ( 0.0000000 0.0000000 0.4125674), wk = 0.0031646 k( 140) = ( 0.0000000 0.0000000 0.4273020), wk = 0.0031646 k( 141) = ( 0.0000000 0.0000000 0.4420365), wk = 0.0031646 k( 142) = ( 0.0000000 0.0000000 0.4567711), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.4567711), wk = 0.0031646 k( 144) = ( 0.0128205 0.0074019 0.4567711), wk = 0.0031646 k( 145) = ( 0.0256410 0.0148039 0.4567711), wk = 0.0031646 k( 146) = ( 0.0384615 0.0222058 0.4567711), wk = 0.0031646 k( 147) = ( 0.0512821 0.0296077 0.4567711), wk = 0.0031646 k( 148) = ( 0.0641026 0.0370096 0.4567711), wk = 0.0031646 k( 149) = ( 0.0769231 0.0444116 0.4567711), wk = 0.0031646 k( 150) = ( 0.0897436 0.0518135 0.4567711), wk = 0.0031646 k( 151) = ( 0.1025641 0.0592154 0.4567711), wk = 0.0031646 k( 152) = ( 0.1153846 0.0666173 0.4567711), wk = 0.0031646 k( 153) = ( 0.1282051 0.0740193 0.4567711), wk = 0.0031646 k( 154) = ( 0.1410256 0.0814212 0.4567711), wk = 0.0031646 k( 155) = ( 0.1538461 0.0888231 0.4567711), wk = 0.0031646 k( 156) = ( 0.1666667 0.0962250 0.4567711), wk = 0.0031646 k( 157) = ( 0.1794872 0.1036270 0.4567711), wk = 0.0031646 k( 158) = ( 0.1923077 0.1110289 0.4567711), wk = 0.0031646 k( 159) = ( 0.2051282 0.1184308 0.4567711), wk = 0.0031646 k( 160) = ( 0.2179487 0.1258328 0.4567711), wk = 0.0031646 k( 161) = ( 0.2307692 0.1332347 0.4567711), wk = 0.0031646 k( 162) = ( 0.2435897 0.1406366 0.4567711), wk = 0.0031646 k( 163) = ( 0.2564103 0.1480385 0.4567711), wk = 0.0031646 k( 164) = ( 0.2692308 0.1554405 0.4567711), wk = 0.0031646 k( 165) = ( 0.2820513 0.1628424 0.4567711), wk = 0.0031646 k( 166) = ( 0.2948718 0.1702443 0.4567711), wk = 0.0031646 k( 167) = ( 0.3076923 0.1776462 0.4567711), wk = 0.0031646 k( 168) = ( 0.3205128 0.1850482 0.4567711), wk = 0.0031646 k( 169) = ( 0.3333333 0.1924501 0.4567711), wk = 0.0031646 k( 170) = ( 0.3461538 0.1998520 0.4567711), wk = 0.0031646 k( 171) = ( 0.3589744 0.2072539 0.4567711), wk = 0.0031646 k( 172) = ( 0.3717949 0.2146559 0.4567711), wk = 0.0031646 k( 173) = ( 0.3846154 0.2220578 0.4567711), wk = 0.0031646 k( 174) = ( 0.3974359 0.2294597 0.4567711), wk = 0.0031646 k( 175) = ( 0.4102564 0.2368616 0.4567711), wk = 0.0031646 k( 176) = ( 0.4230769 0.2442636 0.4567711), wk = 0.0031646 k( 177) = ( 0.4358974 0.2516655 0.4567711), wk = 0.0031646 k( 178) = ( 0.4487179 0.2590674 0.4567711), wk = 0.0031646 k( 179) = ( 0.4615385 0.2664694 0.4567711), wk = 0.0031646 k( 180) = ( 0.4743590 0.2738713 0.4567711), wk = 0.0031646 k( 181) = ( 0.4871795 0.2812732 0.4567711), wk = 0.0031646 k( 182) = ( 0.5000000 0.2886751 0.4567711), wk = 0.0031646 k( 183) = ( 0.5000000 0.2886751 0.4567711), wk = 0.0031646 k( 184) = ( 0.4927536 0.3012262 0.4567711), wk = 0.0031646 k( 185) = ( 0.4855073 0.3137773 0.4567711), wk = 0.0031646 k( 186) = ( 0.4782609 0.3263284 0.4567711), wk = 0.0031646 k( 187) = ( 0.4710145 0.3388795 0.4567711), wk = 0.0031646 k( 188) = ( 0.4637681 0.3514306 0.4567711), wk = 0.0031646 k( 189) = ( 0.4565217 0.3639817 0.4567711), wk = 0.0031646 k( 190) = ( 0.4492754 0.3765328 0.4567711), wk = 0.0031646 k( 191) = ( 0.4420290 0.3890839 0.4567711), wk = 0.0031646 k( 192) = ( 0.4347826 0.4016350 0.4567711), wk = 0.0031646 k( 193) = ( 0.4275362 0.4141861 0.4567711), wk = 0.0031646 k( 194) = ( 0.4202899 0.4267372 0.4567711), wk = 0.0031646 k( 195) = ( 0.4130435 0.4392882 0.4567711), wk = 0.0031646 k( 196) = ( 0.4057971 0.4518393 0.4567711), wk = 0.0031646 k( 197) = ( 0.3985507 0.4643904 0.4567711), wk = 0.0031646 k( 198) = ( 0.3913044 0.4769415 0.4567711), wk = 0.0031646 k( 199) = ( 0.3840580 0.4894926 0.4567711), wk = 0.0031646 k( 200) = ( 0.3768116 0.5020437 0.4567711), wk = 0.0031646 k( 201) = ( 0.3695652 0.5145948 0.4567711), wk = 0.0031646 k( 202) = ( 0.3623188 0.5271459 0.4567711), wk = 0.0031646 k( 203) = ( 0.3550725 0.5396970 0.4567711), wk = 0.0031646 k( 204) = ( 0.3478261 0.5522481 0.4567711), wk = 0.0031646 k( 205) = ( 0.3405797 0.5647992 0.4567711), wk = 0.0031646 k( 206) = ( 0.3333333 0.5773503 0.4567711), wk = 0.0031646 k( 207) = ( 0.3333333 0.5773503 0.4567711), wk = 0.0031646 k( 208) = ( 0.3259259 0.5645203 0.4567711), wk = 0.0031646 k( 209) = ( 0.3185185 0.5516903 0.4567711), wk = 0.0031646 k( 210) = ( 0.3111111 0.5388602 0.4567711), wk = 0.0031646 k( 211) = ( 0.3037037 0.5260302 0.4567711), wk = 0.0031646 k( 212) = ( 0.2962963 0.5132002 0.4567711), wk = 0.0031646 k( 213) = ( 0.2888889 0.5003702 0.4567711), wk = 0.0031646 k( 214) = ( 0.2814815 0.4875402 0.4567711), wk = 0.0031646 k( 215) = ( 0.2740741 0.4747102 0.4567711), wk = 0.0031646 k( 216) = ( 0.2666667 0.4618802 0.4567711), wk = 0.0031646 k( 217) = ( 0.2592593 0.4490502 0.4567711), wk = 0.0031646 k( 218) = ( 0.2518518 0.4362202 0.4567711), wk = 0.0031646 k( 219) = ( 0.2444444 0.4233902 0.4567711), wk = 0.0031646 k( 220) = ( 0.2370370 0.4105602 0.4567711), wk = 0.0031646 k( 221) = ( 0.2296296 0.3977302 0.4567711), wk = 0.0031646 k( 222) = ( 0.2222222 0.3849002 0.4567711), wk = 0.0031646 k( 223) = ( 0.2148148 0.3720702 0.4567711), wk = 0.0031646 k( 224) = ( 0.2074074 0.3592402 0.4567711), wk = 0.0031646 k( 225) = ( 0.2000000 0.3464102 0.4567711), wk = 0.0031646 k( 226) = ( 0.1925926 0.3335802 0.4567711), wk = 0.0031646 k( 227) = ( 0.1851852 0.3207502 0.4567711), wk = 0.0031646 k( 228) = ( 0.1777778 0.3079201 0.4567711), wk = 0.0031646 k( 229) = ( 0.1703704 0.2950901 0.4567711), wk = 0.0031646 k( 230) = ( 0.1629630 0.2822601 0.4567711), wk = 0.0031646 k( 231) = ( 0.1555556 0.2694301 0.4567711), wk = 0.0031646 k( 232) = ( 0.1481482 0.2566001 0.4567711), wk = 0.0031646 k( 233) = ( 0.1407407 0.2437701 0.4567711), wk = 0.0031646 k( 234) = ( 0.1333333 0.2309401 0.4567711), wk = 0.0031646 k( 235) = ( 0.1259259 0.2181101 0.4567711), wk = 0.0031646 k( 236) = ( 0.1185185 0.2052801 0.4567711), wk = 0.0031646 k( 237) = ( 0.1111111 0.1924501 0.4567711), wk = 0.0031646 k( 238) = ( 0.1037037 0.1796201 0.4567711), wk = 0.0031646 k( 239) = ( 0.0962963 0.1667901 0.4567711), wk = 0.0031646 k( 240) = ( 0.0888889 0.1539601 0.4567711), wk = 0.0031646 k( 241) = ( 0.0814815 0.1411301 0.4567711), wk = 0.0031646 k( 242) = ( 0.0740741 0.1283001 0.4567711), wk = 0.0031646 k( 243) = ( 0.0666667 0.1154701 0.4567711), wk = 0.0031646 k( 244) = ( 0.0592593 0.1026400 0.4567711), wk = 0.0031646 k( 245) = ( 0.0518518 0.0898100 0.4567711), wk = 0.0031646 k( 246) = ( 0.0444444 0.0769800 0.4567711), wk = 0.0031646 k( 247) = ( 0.0370370 0.0641500 0.4567711), wk = 0.0031646 k( 248) = ( 0.0296296 0.0513200 0.4567711), wk = 0.0031646 k( 249) = ( 0.0222222 0.0384900 0.4567711), wk = 0.0031646 k( 250) = ( 0.0148148 0.0256600 0.4567711), wk = 0.0031646 k( 251) = ( 0.0074074 0.0128300 0.4567711), wk = 0.0031646 k( 252) = ( 0.0000000 0.0000000 0.4567711), wk = 0.0031646 k( 253) = ( 0.5000000 0.2886751 0.4567711), wk = 0.0031646 k( 254) = ( 0.5000000 0.2886751 0.4420365), wk = 0.0031646 k( 255) = ( 0.5000000 0.2886751 0.4273020), wk = 0.0031646 k( 256) = ( 0.5000000 0.2886751 0.4125674), wk = 0.0031646 k( 257) = ( 0.5000000 0.2886751 0.3978329), wk = 0.0031646 k( 258) = ( 0.5000000 0.2886751 0.3830983), wk = 0.0031646 k( 259) = ( 0.5000000 0.2886751 0.3683638), wk = 0.0031646 k( 260) = ( 0.5000000 0.2886751 0.3536292), wk = 0.0031646 k( 261) = ( 0.5000000 0.2886751 0.3388947), wk = 0.0031646 k( 262) = ( 0.5000000 0.2886751 0.3241601), wk = 0.0031646 k( 263) = ( 0.5000000 0.2886751 0.3094256), wk = 0.0031646 k( 264) = ( 0.5000000 0.2886751 0.2946910), wk = 0.0031646 k( 265) = ( 0.5000000 0.2886751 0.2799565), wk = 0.0031646 k( 266) = ( 0.5000000 0.2886751 0.2652219), wk = 0.0031646 k( 267) = ( 0.5000000 0.2886751 0.2504874), wk = 0.0031646 k( 268) = ( 0.5000000 0.2886751 0.2357528), wk = 0.0031646 k( 269) = ( 0.5000000 0.2886751 0.2210183), wk = 0.0031646 k( 270) = ( 0.5000000 0.2886751 0.2062837), wk = 0.0031646 k( 271) = ( 0.5000000 0.2886751 0.1915492), wk = 0.0031646 k( 272) = ( 0.5000000 0.2886751 0.1768146), wk = 0.0031646 k( 273) = ( 0.5000000 0.2886751 0.1620801), wk = 0.0031646 k( 274) = ( 0.5000000 0.2886751 0.1473455), wk = 0.0031646 k( 275) = ( 0.5000000 0.2886751 0.1326110), wk = 0.0031646 k( 276) = ( 0.5000000 0.2886751 0.1178764), wk = 0.0031646 k( 277) = ( 0.5000000 0.2886751 0.1031419), wk = 0.0031646 k( 278) = ( 0.5000000 0.2886751 0.0884073), wk = 0.0031646 k( 279) = ( 0.5000000 0.2886751 0.0736728), wk = 0.0031646 k( 280) = ( 0.5000000 0.2886751 0.0589382), wk = 0.0031646 k( 281) = ( 0.5000000 0.2886751 0.0442037), wk = 0.0031646 k( 282) = ( 0.5000000 0.2886751 0.0294691), wk = 0.0031646 k( 283) = ( 0.5000000 0.2886751 0.0147345), wk = 0.0031646 k( 284) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031646 k( 285) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031646 k( 286) = ( 0.3333333 0.5773503 0.0147345), wk = 0.0031646 k( 287) = ( 0.3333333 0.5773503 0.0294691), wk = 0.0031646 k( 288) = ( 0.3333333 0.5773503 0.0442037), wk = 0.0031646 k( 289) = ( 0.3333333 0.5773503 0.0589382), wk = 0.0031646 k( 290) = ( 0.3333333 0.5773503 0.0736728), wk = 0.0031646 k( 291) = ( 0.3333333 0.5773503 0.0884073), wk = 0.0031646 k( 292) = ( 0.3333333 0.5773503 0.1031419), wk = 0.0031646 k( 293) = ( 0.3333333 0.5773503 0.1178764), wk = 0.0031646 k( 294) = ( 0.3333333 0.5773503 0.1326110), wk = 0.0031646 k( 295) = ( 0.3333333 0.5773503 0.1473455), wk = 0.0031646 k( 296) = ( 0.3333333 0.5773503 0.1620801), wk = 0.0031646 k( 297) = ( 0.3333333 0.5773503 0.1768146), wk = 0.0031646 k( 298) = ( 0.3333333 0.5773503 0.1915492), wk = 0.0031646 k( 299) = ( 0.3333333 0.5773503 0.2062837), wk = 0.0031646 k( 300) = ( 0.3333333 0.5773503 0.2210183), wk = 0.0031646 k( 301) = ( 0.3333333 0.5773503 0.2357528), wk = 0.0031646 k( 302) = ( 0.3333333 0.5773503 0.2504874), wk = 0.0031646 k( 303) = ( 0.3333333 0.5773503 0.2652219), wk = 0.0031646 k( 304) = ( 0.3333333 0.5773503 0.2799565), wk = 0.0031646 k( 305) = ( 0.3333333 0.5773503 0.2946910), wk = 0.0031646 k( 306) = ( 0.3333333 0.5773503 0.3094256), wk = 0.0031646 k( 307) = ( 0.3333333 0.5773503 0.3241601), wk = 0.0031646 k( 308) = ( 0.3333333 0.5773503 0.3388947), wk = 0.0031646 k( 309) = ( 0.3333333 0.5773503 0.3536292), wk = 0.0031646 k( 310) = ( 0.3333333 0.5773503 0.3683638), wk = 0.0031646 k( 311) = ( 0.3333333 0.5773503 0.3830983), wk = 0.0031646 k( 312) = ( 0.3333333 0.5773503 0.3978329), wk = 0.0031646 k( 313) = ( 0.3333333 0.5773503 0.4125674), wk = 0.0031646 k( 314) = ( 0.3333333 0.5773503 0.4273020), wk = 0.0031646 k( 315) = ( 0.3333333 0.5773503 0.4420365), wk = 0.0031646 k( 316) = ( 0.3333333 0.5773503 0.4567711), wk = 0.0031646 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0128205 0.0000000 0.0000000), wk = 0.0031646 k( 3) = ( 0.0256410 -0.0000000 0.0000000), wk = 0.0031646 k( 4) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0031646 k( 5) = ( 0.0512821 0.0000000 0.0000000), wk = 0.0031646 k( 6) = ( 0.0641026 -0.0000000 0.0000000), wk = 0.0031646 k( 7) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0031646 k( 8) = ( 0.0897436 -0.0000000 0.0000000), wk = 0.0031646 k( 9) = ( 0.1025641 0.0000000 0.0000000), wk = 0.0031646 k( 10) = ( 0.1153846 -0.0000000 0.0000000), wk = 0.0031646 k( 11) = ( 0.1282051 -0.0000000 0.0000000), wk = 0.0031646 k( 12) = ( 0.1410256 0.0000000 0.0000000), wk = 0.0031646 k( 13) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0031646 k( 14) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0031646 k( 15) = ( 0.1794872 -0.0000000 0.0000000), wk = 0.0031646 k( 16) = ( 0.1923077 -0.0000000 0.0000000), wk = 0.0031646 k( 17) = ( 0.2051282 0.0000000 0.0000000), wk = 0.0031646 k( 18) = ( 0.2179487 0.0000000 0.0000000), wk = 0.0031646 k( 19) = ( 0.2307692 -0.0000000 0.0000000), wk = 0.0031646 k( 20) = ( 0.2435897 -0.0000000 0.0000000), wk = 0.0031646 k( 21) = ( 0.2564103 -0.0000000 0.0000000), wk = 0.0031646 k( 22) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0031646 k( 23) = ( 0.2820513 0.0000000 0.0000000), wk = 0.0031646 k( 24) = ( 0.2948718 0.0000000 0.0000000), wk = 0.0031646 k( 25) = ( 0.3076923 -0.0000000 0.0000000), wk = 0.0031646 k( 26) = ( 0.3205128 -0.0000000 0.0000000), wk = 0.0031646 k( 27) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0031646 k( 28) = ( 0.3461538 -0.0000000 0.0000000), wk = 0.0031646 k( 29) = ( 0.3589744 -0.0000000 0.0000000), wk = 0.0031646 k( 30) = ( 0.3717949 -0.0000000 0.0000000), wk = 0.0031646 k( 31) = ( 0.3846154 -0.0000000 0.0000000), wk = 0.0031646 k( 32) = ( 0.3974359 -0.0000000 0.0000000), wk = 0.0031646 k( 33) = ( 0.4102564 -0.0000000 0.0000000), wk = 0.0031646 k( 34) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0031646 k( 35) = ( 0.4358974 0.0000000 0.0000000), wk = 0.0031646 k( 36) = ( 0.4487179 -0.0000000 0.0000000), wk = 0.0031646 k( 37) = ( 0.4615385 -0.0000000 0.0000000), wk = 0.0031646 k( 38) = ( 0.4743590 -0.0000000 0.0000000), wk = 0.0031646 k( 39) = ( 0.4871795 -0.0000000 0.0000000), wk = 0.0031646 k( 40) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031646 k( 41) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031646 k( 42) = ( 0.4927536 0.0144927 0.0000000), wk = 0.0031646 k( 43) = ( 0.4855073 0.0289855 0.0000000), wk = 0.0031646 k( 44) = ( 0.4782609 0.0434783 0.0000000), wk = 0.0031646 k( 45) = ( 0.4710145 0.0579710 0.0000000), wk = 0.0031646 k( 46) = ( 0.4637681 0.0724638 0.0000000), wk = 0.0031646 k( 47) = ( 0.4565217 0.0869565 0.0000000), wk = 0.0031646 k( 48) = ( 0.4492754 0.1014493 0.0000000), wk = 0.0031646 k( 49) = ( 0.4420290 0.1159420 0.0000000), wk = 0.0031646 k( 50) = ( 0.4347826 0.1304348 0.0000000), wk = 0.0031646 k( 51) = ( 0.4275362 0.1449275 0.0000000), wk = 0.0031646 k( 52) = ( 0.4202899 0.1594203 0.0000000), wk = 0.0031646 k( 53) = ( 0.4130435 0.1739130 0.0000000), wk = 0.0031646 k( 54) = ( 0.4057971 0.1884058 0.0000000), wk = 0.0031646 k( 55) = ( 0.3985507 0.2028985 0.0000000), wk = 0.0031646 k( 56) = ( 0.3913044 0.2173913 0.0000000), wk = 0.0031646 k( 57) = ( 0.3840580 0.2318841 -0.0000000), wk = 0.0031646 k( 58) = ( 0.3768116 0.2463768 0.0000000), wk = 0.0031646 k( 59) = ( 0.3695652 0.2608696 0.0000000), wk = 0.0031646 k( 60) = ( 0.3623188 0.2753623 0.0000000), wk = 0.0031646 k( 61) = ( 0.3550725 0.2898551 0.0000000), wk = 0.0031646 k( 62) = ( 0.3478261 0.3043478 0.0000000), wk = 0.0031646 k( 63) = ( 0.3405797 0.3188406 0.0000000), wk = 0.0031646 k( 64) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031646 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031646 k( 66) = ( 0.3259259 0.3259259 0.0000000), wk = 0.0031646 k( 67) = ( 0.3185185 0.3185185 0.0000000), wk = 0.0031646 k( 68) = ( 0.3111111 0.3111111 0.0000000), wk = 0.0031646 k( 69) = ( 0.3037037 0.3037037 0.0000000), wk = 0.0031646 k( 70) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0031646 k( 71) = ( 0.2888889 0.2888889 -0.0000000), wk = 0.0031646 k( 72) = ( 0.2814815 0.2814815 0.0000000), wk = 0.0031646 k( 73) = ( 0.2740741 0.2740741 0.0000000), wk = 0.0031646 k( 74) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0031646 k( 75) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0031646 k( 76) = ( 0.2518518 0.2518518 0.0000000), wk = 0.0031646 k( 77) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0031646 k( 78) = ( 0.2370370 0.2370370 0.0000000), wk = 0.0031646 k( 79) = ( 0.2296296 0.2296296 0.0000000), wk = 0.0031646 k( 80) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0031646 k( 81) = ( 0.2148148 0.2148148 0.0000000), wk = 0.0031646 k( 82) = ( 0.2074074 0.2074074 0.0000000), wk = 0.0031646 k( 83) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0031646 k( 84) = ( 0.1925926 0.1925926 0.0000000), wk = 0.0031646 k( 85) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0031646 k( 86) = ( 0.1777778 0.1777778 0.0000000), wk = 0.0031646 k( 87) = ( 0.1703704 0.1703704 0.0000000), wk = 0.0031646 k( 88) = ( 0.1629630 0.1629630 0.0000000), wk = 0.0031646 k( 89) = ( 0.1555556 0.1555556 0.0000000), wk = 0.0031646 k( 90) = ( 0.1481482 0.1481481 0.0000000), wk = 0.0031646 k( 91) = ( 0.1407407 0.1407407 0.0000000), wk = 0.0031646 k( 92) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0031646 k( 93) = ( 0.1259259 0.1259259 0.0000000), wk = 0.0031646 k( 94) = ( 0.1185185 0.1185185 0.0000000), wk = 0.0031646 k( 95) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0031646 k( 96) = ( 0.1037037 0.1037037 0.0000000), wk = 0.0031646 k( 97) = ( 0.0962963 0.0962963 0.0000000), wk = 0.0031646 k( 98) = ( 0.0888889 0.0888889 0.0000000), wk = 0.0031646 k( 99) = ( 0.0814815 0.0814815 0.0000000), wk = 0.0031646 k( 100) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0031646 k( 101) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0031646 k( 102) = ( 0.0592593 0.0592593 0.0000000), wk = 0.0031646 k( 103) = ( 0.0518518 0.0518518 0.0000000), wk = 0.0031646 k( 104) = ( 0.0444444 0.0444444 0.0000000), wk = 0.0031646 k( 105) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0031646 k( 106) = ( 0.0296296 0.0296296 0.0000000), wk = 0.0031646 k( 107) = ( 0.0222222 0.0222222 0.0000000), wk = 0.0031646 k( 108) = ( 0.0148148 0.0148148 0.0000000), wk = 0.0031646 k( 109) = ( 0.0074074 0.0074074 -0.0000000), wk = 0.0031646 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 112) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0031646 k( 113) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0031646 k( 114) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0031646 k( 115) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0031646 k( 116) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0031646 k( 117) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0031646 k( 118) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0031646 k( 119) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0031646 k( 120) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0031646 k( 121) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0031646 k( 122) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0031646 k( 123) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0031646 k( 124) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0031646 k( 125) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0031646 k( 126) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0031646 k( 127) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0031646 k( 128) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0031646 k( 129) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0031646 k( 130) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0031646 k( 131) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0031646 k( 132) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0031646 k( 133) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0031646 k( 134) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0031646 k( 135) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0031646 k( 136) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0031646 k( 137) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0031646 k( 138) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0031646 k( 139) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0031646 k( 140) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0031646 k( 141) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0031646 k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 144) = ( 0.0128205 0.0000000 0.5000000), wk = 0.0031646 k( 145) = ( 0.0256410 -0.0000000 0.5000000), wk = 0.0031646 k( 146) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0031646 k( 147) = ( 0.0512821 0.0000000 0.5000000), wk = 0.0031646 k( 148) = ( 0.0641026 -0.0000000 0.5000000), wk = 0.0031646 k( 149) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0031646 k( 150) = ( 0.0897436 -0.0000000 0.5000000), wk = 0.0031646 k( 151) = ( 0.1025641 0.0000000 0.5000000), wk = 0.0031646 k( 152) = ( 0.1153846 -0.0000000 0.5000000), wk = 0.0031646 k( 153) = ( 0.1282051 -0.0000000 0.5000000), wk = 0.0031646 k( 154) = ( 0.1410256 0.0000000 0.5000000), wk = 0.0031646 k( 155) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0031646 k( 156) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0031646 k( 157) = ( 0.1794872 -0.0000000 0.5000000), wk = 0.0031646 k( 158) = ( 0.1923077 -0.0000000 0.5000000), wk = 0.0031646 k( 159) = ( 0.2051282 0.0000000 0.5000000), wk = 0.0031646 k( 160) = ( 0.2179487 0.0000000 0.5000000), wk = 0.0031646 k( 161) = ( 0.2307692 -0.0000000 0.5000000), wk = 0.0031646 k( 162) = ( 0.2435897 -0.0000000 0.5000000), wk = 0.0031646 k( 163) = ( 0.2564103 -0.0000000 0.5000000), wk = 0.0031646 k( 164) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0031646 k( 165) = ( 0.2820513 0.0000000 0.5000000), wk = 0.0031646 k( 166) = ( 0.2948718 0.0000000 0.5000000), wk = 0.0031646 k( 167) = ( 0.3076923 -0.0000000 0.5000000), wk = 0.0031646 k( 168) = ( 0.3205128 -0.0000000 0.5000000), wk = 0.0031646 k( 169) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0031646 k( 170) = ( 0.3461538 -0.0000000 0.5000000), wk = 0.0031646 k( 171) = ( 0.3589744 -0.0000000 0.5000000), wk = 0.0031646 k( 172) = ( 0.3717949 -0.0000000 0.5000000), wk = 0.0031646 k( 173) = ( 0.3846154 -0.0000000 0.5000000), wk = 0.0031646 k( 174) = ( 0.3974359 -0.0000000 0.5000000), wk = 0.0031646 k( 175) = ( 0.4102564 -0.0000000 0.5000000), wk = 0.0031646 k( 176) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0031646 k( 177) = ( 0.4358974 0.0000000 0.5000000), wk = 0.0031646 k( 178) = ( 0.4487179 -0.0000000 0.5000000), wk = 0.0031646 k( 179) = ( 0.4615385 -0.0000000 0.5000000), wk = 0.0031646 k( 180) = ( 0.4743590 -0.0000000 0.5000000), wk = 0.0031646 k( 181) = ( 0.4871795 -0.0000000 0.5000000), wk = 0.0031646 k( 182) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031646 k( 183) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031646 k( 184) = ( 0.4927536 0.0144927 0.5000000), wk = 0.0031646 k( 185) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0031646 k( 186) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0031646 k( 187) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0031646 k( 188) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0031646 k( 189) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0031646 k( 190) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0031646 k( 191) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0031646 k( 192) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0031646 k( 193) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0031646 k( 194) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0031646 k( 195) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0031646 k( 196) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0031646 k( 197) = ( 0.3985507 0.2028985 0.5000000), wk = 0.0031646 k( 198) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0031646 k( 199) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0031646 k( 200) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0031646 k( 201) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0031646 k( 202) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0031646 k( 203) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0031646 k( 204) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0031646 k( 205) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0031646 k( 206) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031646 k( 207) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031646 k( 208) = ( 0.3259259 0.3259259 0.5000000), wk = 0.0031646 k( 209) = ( 0.3185185 0.3185185 0.5000000), wk = 0.0031646 k( 210) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0031646 k( 211) = ( 0.3037037 0.3037037 0.5000000), wk = 0.0031646 k( 212) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0031646 k( 213) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0031646 k( 214) = ( 0.2814815 0.2814815 0.5000000), wk = 0.0031646 k( 215) = ( 0.2740741 0.2740741 0.5000000), wk = 0.0031646 k( 216) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0031646 k( 217) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0031646 k( 218) = ( 0.2518518 0.2518518 0.5000000), wk = 0.0031646 k( 219) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0031646 k( 220) = ( 0.2370370 0.2370370 0.5000000), wk = 0.0031646 k( 221) = ( 0.2296296 0.2296296 0.5000000), wk = 0.0031646 k( 222) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0031646 k( 223) = ( 0.2148148 0.2148148 0.5000000), wk = 0.0031646 k( 224) = ( 0.2074074 0.2074074 0.5000000), wk = 0.0031646 k( 225) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0031646 k( 226) = ( 0.1925926 0.1925926 0.5000000), wk = 0.0031646 k( 227) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0031646 k( 228) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0031646 k( 229) = ( 0.1703704 0.1703704 0.5000000), wk = 0.0031646 k( 230) = ( 0.1629630 0.1629630 0.5000000), wk = 0.0031646 k( 231) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0031646 k( 232) = ( 0.1481482 0.1481481 0.5000000), wk = 0.0031646 k( 233) = ( 0.1407407 0.1407407 0.5000000), wk = 0.0031646 k( 234) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0031646 k( 235) = ( 0.1259259 0.1259259 0.5000000), wk = 0.0031646 k( 236) = ( 0.1185185 0.1185185 0.5000000), wk = 0.0031646 k( 237) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0031646 k( 238) = ( 0.1037037 0.1037037 0.5000000), wk = 0.0031646 k( 239) = ( 0.0962963 0.0962963 0.5000000), wk = 0.0031646 k( 240) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0031646 k( 241) = ( 0.0814815 0.0814815 0.5000000), wk = 0.0031646 k( 242) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0031646 k( 243) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0031646 k( 244) = ( 0.0592593 0.0592593 0.5000000), wk = 0.0031646 k( 245) = ( 0.0518518 0.0518518 0.5000000), wk = 0.0031646 k( 246) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0031646 k( 247) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0031646 k( 248) = ( 0.0296296 0.0296296 0.5000000), wk = 0.0031646 k( 249) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0031646 k( 250) = ( 0.0148148 0.0148148 0.5000000), wk = 0.0031646 k( 251) = ( 0.0074074 0.0074074 0.5000000), wk = 0.0031646 k( 252) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 253) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031646 k( 254) = ( 0.5000000 -0.0000000 0.4838710), wk = 0.0031646 k( 255) = ( 0.5000000 -0.0000000 0.4677419), wk = 0.0031646 k( 256) = ( 0.5000000 -0.0000000 0.4516129), wk = 0.0031646 k( 257) = ( 0.5000000 -0.0000000 0.4354839), wk = 0.0031646 k( 258) = ( 0.5000000 -0.0000000 0.4193548), wk = 0.0031646 k( 259) = ( 0.5000000 -0.0000000 0.4032258), wk = 0.0031646 k( 260) = ( 0.5000000 -0.0000000 0.3870968), wk = 0.0031646 k( 261) = ( 0.5000000 -0.0000000 0.3709677), wk = 0.0031646 k( 262) = ( 0.5000000 -0.0000000 0.3548387), wk = 0.0031646 k( 263) = ( 0.5000000 -0.0000000 0.3387097), wk = 0.0031646 k( 264) = ( 0.5000000 -0.0000000 0.3225807), wk = 0.0031646 k( 265) = ( 0.5000000 -0.0000000 0.3064516), wk = 0.0031646 k( 266) = ( 0.5000000 -0.0000000 0.2903226), wk = 0.0031646 k( 267) = ( 0.5000000 -0.0000000 0.2741936), wk = 0.0031646 k( 268) = ( 0.5000000 -0.0000000 0.2580645), wk = 0.0031646 k( 269) = ( 0.5000000 -0.0000000 0.2419355), wk = 0.0031646 k( 270) = ( 0.5000000 -0.0000000 0.2258064), wk = 0.0031646 k( 271) = ( 0.5000000 -0.0000000 0.2096774), wk = 0.0031646 k( 272) = ( 0.5000000 -0.0000000 0.1935484), wk = 0.0031646 k( 273) = ( 0.5000000 -0.0000000 0.1774193), wk = 0.0031646 k( 274) = ( 0.5000000 -0.0000000 0.1612903), wk = 0.0031646 k( 275) = ( 0.5000000 -0.0000000 0.1451613), wk = 0.0031646 k( 276) = ( 0.5000000 -0.0000000 0.1290323), wk = 0.0031646 k( 277) = ( 0.5000000 -0.0000000 0.1129032), wk = 0.0031646 k( 278) = ( 0.5000000 -0.0000000 0.0967742), wk = 0.0031646 k( 279) = ( 0.5000000 -0.0000000 0.0806452), wk = 0.0031646 k( 280) = ( 0.5000000 -0.0000000 0.0645161), wk = 0.0031646 k( 281) = ( 0.5000000 -0.0000000 0.0483871), wk = 0.0031646 k( 282) = ( 0.5000000 -0.0000000 0.0322581), wk = 0.0031646 k( 283) = ( 0.5000000 -0.0000000 0.0161290), wk = 0.0031646 k( 284) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031646 k( 285) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031646 k( 286) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0031646 k( 287) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0031646 k( 288) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0031646 k( 289) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0031646 k( 290) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0031646 k( 291) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0031646 k( 292) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0031646 k( 293) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0031646 k( 294) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0031646 k( 295) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0031646 k( 296) = ( 0.3333333 0.3333333 0.1774193), wk = 0.0031646 k( 297) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0031646 k( 298) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0031646 k( 299) = ( 0.3333333 0.3333333 0.2258064), wk = 0.0031646 k( 300) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0031646 k( 301) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0031646 k( 302) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0031646 k( 303) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0031646 k( 304) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0031646 k( 305) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0031646 k( 306) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0031646 k( 307) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0031646 k( 308) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0031646 k( 309) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0031646 k( 310) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0031646 k( 311) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0031646 k( 312) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0031646 k( 313) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0031646 k( 314) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0031646 k( 315) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0031646 k( 316) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031646 Dense grid: 217889 G-vectors FFT dimensions: ( 80, 80, 90) Smooth grid: 55001 G-vectors FFT dimensions: ( 50, 50, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.45 Mb ( 458, 64) NL pseudopotentials 0.44 Mb ( 229, 126) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.05 Mb ( 6810) G-vector shells 0.02 Mb ( 2875) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.79 Mb ( 458, 256) Each subspace H/S matrix 1.00 Mb ( 256, 256) Each matrix 0.25 Mb ( 126, 2, 64) The potential is recalculated from file : ./BeF2.save/charge-density.dat Starting wfc are 78 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 5.6 secs Computing kpt #: 3 total cpu time spent up to now is 7.3 secs Computing kpt #: 4 total cpu time spent up to now is 9.1 secs Computing kpt #: 5 total cpu time spent up to now is 11.0 secs Computing kpt #: 6 total cpu time spent up to now is 12.9 secs Computing kpt #: 7 total cpu time spent up to now is 14.7 secs Computing kpt #: 8 total cpu time spent up to now is 16.5 secs Computing kpt #: 9 total cpu time spent up to now is 18.4 secs Computing kpt #: 10 total cpu time spent up to now is 20.3 secs Computing kpt #: 11 total cpu time spent up to now is 22.1 secs Computing kpt #: 12 total cpu time spent up to now is 24.1 secs Computing kpt #: 13 total cpu time spent up to now is 25.9 secs Computing kpt #: 14 total cpu time spent up to now is 27.8 secs Computing kpt #: 15 total cpu time spent up to now is 29.7 secs Computing kpt #: 16 total cpu time spent up to now is 31.7 secs Computing kpt #: 17 total cpu time spent up to now is 33.6 secs Computing kpt #: 18 total cpu time spent up to now is 35.5 secs Computing kpt #: 19 total cpu time spent up to now is 37.5 secs Computing kpt #: 20 total cpu time spent up to now is 39.5 secs Computing kpt #: 21 total cpu time spent up to now is 41.6 secs Computing kpt #: 22 total cpu time spent up to now is 43.6 secs Computing kpt #: 23 total cpu time spent up to now is 45.7 secs Computing kpt #: 24 total cpu time spent up to now is 47.6 secs Computing kpt #: 25 total cpu time spent up to now is 49.6 secs Computing kpt #: 26 total cpu time spent up to now is 51.6 secs Computing kpt #: 27 total cpu time spent up to now is 53.6 secs Computing kpt #: 28 total cpu time spent up to now is 55.6 secs Computing kpt #: 29 total cpu time spent up to now is 57.7 secs Computing kpt #: 30 total cpu time spent up to now is 59.8 secs Computing kpt #: 31 total cpu time spent up to now is 61.9 secs Computing kpt #: 32 total cpu time spent up to now is 64.0 secs Computing kpt #: 33 total cpu time spent up to now is 66.1 secs Computing kpt #: 34 total cpu time spent up to now is 68.3 secs Computing kpt #: 35 total cpu time spent up to now is 70.4 secs Computing kpt #: 36 total cpu time spent up to now is 72.6 secs Computing kpt #: 37 total cpu time spent up to now is 77.5 secs Computing kpt #: 38 total cpu time spent up to now is 79.6 secs Computing kpt #: 39 total cpu time spent up to now is 81.8 secs Computing kpt #: 40 total cpu time spent up to now is 83.9 secs Computing kpt #: 41 total cpu time spent up to now is 85.8 secs Computing kpt #: 42 total cpu time spent up to now is 87.9 secs Computing kpt #: 43 total cpu time spent up to now is 90.0 secs Computing kpt #: 44 total cpu time spent up to now is 92.3 secs Computing kpt #: 45 total cpu time spent up to now is 94.5 secs Computing kpt #: 46 total cpu time spent up to now is 96.9 secs Computing kpt #: 47 total cpu time spent up to now is 102.0 secs Computing kpt #: 48 total cpu time spent up to now is 105.2 secs Computing kpt #: 49 total cpu time spent up to now is 107.5 secs Computing kpt #: 50 total cpu time spent up to now is 109.8 secs Computing kpt #: 51 total cpu time spent up to now is 112.6 secs Computing kpt #: 52 total cpu time spent up to now is 116.3 secs Computing kpt #: 53 total cpu time spent up to now is 118.5 secs Computing kpt #: 54 total cpu time spent up to now is 120.8 secs Computing kpt #: 55 total cpu time spent up to now is 122.8 secs Computing kpt #: 56 total cpu time spent up to now is 124.7 secs Computing kpt #: 57 total cpu time spent up to now is 126.6 secs Computing kpt #: 58 total cpu time spent up to now is 128.8 secs Computing kpt #: 59 total cpu time spent up to now is 131.0 secs Computing kpt #: 60 total cpu time spent up to now is 133.3 secs Computing kpt #: 61 total cpu time spent up to now is 135.5 secs Computing kpt #: 62 total cpu time spent up to now is 138.1 secs Computing kpt #: 63 total cpu time spent up to now is 141.3 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 145.0 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 148.7 secs Computing kpt #: 66 total cpu time spent up to now is 151.8 secs Computing kpt #: 67 total cpu time spent up to now is 154.2 secs Computing kpt #: 68 total cpu time spent up to now is 156.2 secs Computing kpt #: 69 total cpu time spent up to now is 158.4 secs Computing kpt #: 70 total cpu time spent up to now is 160.3 secs Computing kpt #: 71 total cpu time spent up to now is 162.3 secs Computing kpt #: 72 total cpu time spent up to now is 164.2 secs Computing kpt #: 73 total cpu time spent up to now is 166.2 secs Computing kpt #: 74 total cpu time spent up to now is 168.1 secs Computing kpt #: 75 total cpu time spent up to now is 170.1 secs Computing kpt #: 76 total cpu time spent up to now is 172.1 secs Computing kpt #: 77 total cpu time spent up to now is 174.0 secs Computing kpt #: 78 total cpu time spent up to now is 175.9 secs Computing kpt #: 79 total cpu time spent up to now is 177.7 secs Computing kpt #: 80 total cpu time spent up to now is 179.6 secs Computing kpt #: 81 total cpu time spent up to now is 181.4 secs Computing kpt #: 82 total cpu time spent up to now is 183.4 secs Computing kpt #: 83 total cpu time spent up to now is 185.3 secs Computing kpt #: 84 total cpu time spent up to now is 187.1 secs Computing kpt #: 85 total cpu time spent up to now is 189.0 secs Computing kpt #: 86 total cpu time spent up to now is 190.8 secs Computing kpt #: 87 total cpu time spent up to now is 192.6 secs Computing kpt #: 88 total cpu time spent up to now is 194.5 secs Computing kpt #: 89 total cpu time spent up to now is 196.4 secs Computing kpt #: 90 total cpu time spent up to now is 198.2 secs Computing kpt #: 91 total cpu time spent up to now is 200.0 secs Computing kpt #: 92 total cpu time spent up to now is 201.9 secs Computing kpt #: 93 total cpu time spent up to now is 203.7 secs Computing kpt #: 94 total cpu time spent up to now is 205.6 secs Computing kpt #: 95 total cpu time spent up to now is 207.5 secs Computing kpt #: 96 total cpu time spent up to now is 209.4 secs Computing kpt #: 97 total cpu time spent up to now is 211.3 secs Computing kpt #: 98 total cpu time spent up to now is 213.1 secs Computing kpt #: 99 total cpu time spent up to now is 214.9 secs Computing kpt #: 100 total cpu time spent up to now is 216.8 secs Computing kpt #: 101 total cpu time spent up to now is 218.6 secs Computing kpt #: 102 total cpu time spent up to now is 220.5 secs Computing kpt #: 103 total cpu time spent up to now is 222.4 secs Computing kpt #: 104 total cpu time spent up to now is 224.3 secs Computing kpt #: 105 total cpu time spent up to now is 226.0 secs Computing kpt #: 106 total cpu time spent up to now is 227.8 secs Computing kpt #: 107 total cpu time spent up to now is 229.5 secs Computing kpt #: 108 total cpu time spent up to now is 231.2 secs Computing kpt #: 109 total cpu time spent up to now is 233.0 secs Computing kpt #: 110 total cpu time spent up to now is 234.7 secs Computing kpt #: 111 total cpu time spent up to now is 236.4 secs Computing kpt #: 112 total cpu time spent up to now is 238.1 secs Computing kpt #: 113 total cpu time spent up to now is 239.8 secs Computing kpt #: 114 total cpu time spent up to now is 241.5 secs Computing kpt #: 115 total cpu time spent up to now is 243.2 secs Computing kpt #: 116 total cpu time spent up to now is 245.0 secs Computing kpt #: 117 total cpu time spent up to now is 246.8 secs Computing kpt #: 118 total cpu time spent up to now is 248.5 secs Computing kpt #: 119 total cpu time spent up to now is 250.4 secs Computing kpt #: 120 total cpu time spent up to now is 252.2 secs Computing kpt #: 121 total cpu time spent up to now is 254.1 secs Computing kpt #: 122 total cpu time spent up to now is 255.9 secs Computing kpt #: 123 total cpu time spent up to now is 257.7 secs Computing kpt #: 124 total cpu time spent up to now is 259.5 secs Computing kpt #: 125 total cpu time spent up to now is 261.4 secs Computing kpt #: 126 total cpu time spent up to now is 263.4 secs Computing kpt #: 127 total cpu time spent up to now is 265.3 secs Computing kpt #: 128 total cpu time spent up to now is 267.2 secs Computing kpt #: 129 total cpu time spent up to now is 269.3 secs Computing kpt #: 130 total cpu time spent up to now is 271.3 secs Computing kpt #: 131 total cpu time spent up to now is 273.4 secs Computing kpt #: 132 total cpu time spent up to now is 275.6 secs Computing kpt #: 133 total cpu time spent up to now is 278.0 secs Computing kpt #: 134 total cpu time spent up to now is 280.4 secs Computing kpt #: 135 total cpu time spent up to now is 284.0 secs Computing kpt #: 136 total cpu time spent up to now is 286.8 secs Computing kpt #: 137 total cpu time spent up to now is 289.1 secs Computing kpt #: 138 total cpu time spent up to now is 291.3 secs Computing kpt #: 139 total cpu time spent up to now is 293.5 secs Computing kpt #: 140 total cpu time spent up to now is 295.7 secs Computing kpt #: 141 total cpu time spent up to now is 297.7 secs Computing kpt #: 142 total cpu time spent up to now is 299.6 secs Computing kpt #: 143 total cpu time spent up to now is 301.4 secs Computing kpt #: 144 total cpu time spent up to now is 303.4 secs Computing kpt #: 145 total cpu time spent up to now is 305.3 secs Computing kpt #: 146 total cpu time spent up to now is 307.3 secs Computing kpt #: 147 total cpu time spent up to now is 309.3 secs Computing kpt #: 148 total cpu time spent up to now is 311.5 secs Computing kpt #: 149 total cpu time spent up to now is 313.5 secs Computing kpt #: 150 total cpu time spent up to now is 315.4 secs Computing kpt #: 151 total cpu time spent up to now is 317.5 secs Computing kpt #: 152 total cpu time spent up to now is 319.5 secs Computing kpt #: 153 total cpu time spent up to now is 321.5 secs Computing kpt #: 154 total cpu time spent up to now is 323.4 secs Computing kpt #: 155 total cpu time spent up to now is 325.4 secs Computing kpt #: 156 total cpu time spent up to now is 327.4 secs Computing kpt #: 157 total cpu time spent up to now is 329.5 secs Computing kpt #: 158 total cpu time spent up to now is 331.7 secs Computing kpt #: 159 total cpu time spent up to now is 334.0 secs Computing kpt #: 160 total cpu time spent up to now is 336.3 secs Computing kpt #: 161 total cpu time spent up to now is 338.7 secs Computing kpt #: 162 total cpu time spent up to now is 341.1 secs Computing kpt #: 163 total cpu time spent up to now is 343.4 secs Computing kpt #: 164 total cpu time spent up to now is 345.8 secs Computing kpt #: 165 total cpu time spent up to now is 348.2 secs Computing kpt #: 166 total cpu time spent up to now is 350.7 secs Computing kpt #: 167 total cpu time spent up to now is 352.9 secs Computing kpt #: 168 total cpu time spent up to now is 355.1 secs Computing kpt #: 169 total cpu time spent up to now is 357.1 secs Computing kpt #: 170 total cpu time spent up to now is 358.9 secs Computing kpt #: 171 total cpu time spent up to now is 361.1 secs Computing kpt #: 172 total cpu time spent up to now is 363.4 secs Computing kpt #: 173 total cpu time spent up to now is 365.7 secs Computing kpt #: 174 total cpu time spent up to now is 367.9 secs Computing kpt #: 175 total cpu time spent up to now is 370.2 secs Computing kpt #: 176 total cpu time spent up to now is 372.6 secs Computing kpt #: 177 total cpu time spent up to now is 375.2 secs Computing kpt #: 178 total cpu time spent up to now is 377.8 secs Computing kpt #: 179 total cpu time spent up to now is 380.5 secs Computing kpt #: 180 total cpu time spent up to now is 383.0 secs Computing kpt #: 181 total cpu time spent up to now is 385.7 secs Computing kpt #: 182 total cpu time spent up to now is 388.2 secs Computing kpt #: 183 total cpu time spent up to now is 390.7 secs Computing kpt #: 184 total cpu time spent up to now is 393.3 secs Computing kpt #: 185 total cpu time spent up to now is 396.0 secs Computing kpt #: 186 total cpu time spent up to now is 398.6 secs Computing kpt #: 187 total cpu time spent up to now is 401.3 secs Computing kpt #: 188 total cpu time spent up to now is 404.8 secs Computing kpt #: 189 total cpu time spent up to now is 407.5 secs Computing kpt #: 190 total cpu time spent up to now is 410.1 secs Computing kpt #: 191 total cpu time spent up to now is 412.7 secs Computing kpt #: 192 total cpu time spent up to now is 415.1 secs Computing kpt #: 193 total cpu time spent up to now is 417.8 secs Computing kpt #: 194 total cpu time spent up to now is 420.8 secs Computing kpt #: 195 total cpu time spent up to now is 423.3 secs Computing kpt #: 196 total cpu time spent up to now is 425.9 secs Computing kpt #: 197 total cpu time spent up to now is 428.2 secs Computing kpt #: 198 total cpu time spent up to now is 430.5 secs Computing kpt #: 199 total cpu time spent up to now is 432.7 secs Computing kpt #: 200 total cpu time spent up to now is 434.8 secs Computing kpt #: 201 total cpu time spent up to now is 436.8 secs Computing kpt #: 202 total cpu time spent up to now is 438.7 secs Computing kpt #: 203 total cpu time spent up to now is 440.7 secs Computing kpt #: 204 total cpu time spent up to now is 442.5 secs Computing kpt #: 205 total cpu time spent up to now is 444.2 secs Computing kpt #: 206 total cpu time spent up to now is 445.9 secs Computing kpt #: 207 total cpu time spent up to now is 447.7 secs Computing kpt #: 208 total cpu time spent up to now is 449.5 secs Computing kpt #: 209 total cpu time spent up to now is 451.5 secs Computing kpt #: 210 total cpu time spent up to now is 453.3 secs Computing kpt #: 211 total cpu time spent up to now is 455.3 secs Computing kpt #: 212 total cpu time spent up to now is 457.1 secs Computing kpt #: 213 total cpu time spent up to now is 459.1 secs Computing kpt #: 214 total cpu time spent up to now is 461.1 secs Computing kpt #: 215 total cpu time spent up to now is 463.0 secs Computing kpt #: 216 total cpu time spent up to now is 464.9 secs Computing kpt #: 217 total cpu time spent up to now is 466.8 secs Computing kpt #: 218 total cpu time spent up to now is 468.7 secs Computing kpt #: 219 total cpu time spent up to now is 470.6 secs Computing kpt #: 220 total cpu time spent up to now is 472.5 secs Computing kpt #: 221 total cpu time spent up to now is 474.3 secs Computing kpt #: 222 total cpu time spent up to now is 476.2 secs Computing kpt #: 223 total cpu time spent up to now is 478.1 secs Computing kpt #: 224 total cpu time spent up to now is 480.0 secs Computing kpt #: 225 total cpu time spent up to now is 481.9 secs Computing kpt #: 226 total cpu time spent up to now is 483.7 secs Computing kpt #: 227 total cpu time spent up to now is 485.6 secs Computing kpt #: 228 total cpu time spent up to now is 487.5 secs Computing kpt #: 229 total cpu time spent up to now is 489.3 secs Computing kpt #: 230 total cpu time spent up to now is 491.2 secs Computing kpt #: 231 total cpu time spent up to now is 493.1 secs Computing kpt #: 232 total cpu time spent up to now is 495.1 secs Computing kpt #: 233 total cpu time spent up to now is 497.2 secs Computing kpt #: 234 total cpu time spent up to now is 499.2 secs Computing kpt #: 235 total cpu time spent up to now is 501.4 secs Computing kpt #: 236 total cpu time spent up to now is 503.7 secs Computing kpt #: 237 total cpu time spent up to now is 505.9 secs Computing kpt #: 238 total cpu time spent up to now is 508.0 secs Computing kpt #: 239 total cpu time spent up to now is 509.9 secs Computing kpt #: 240 total cpu time spent up to now is 511.9 secs Computing kpt #: 241 total cpu time spent up to now is 513.9 secs Computing kpt #: 242 total cpu time spent up to now is 516.0 secs Computing kpt #: 243 total cpu time spent up to now is 518.0 secs Computing kpt #: 244 total cpu time spent up to now is 519.9 secs Computing kpt #: 245 total cpu time spent up to now is 522.0 secs Computing kpt #: 246 total cpu time spent up to now is 523.9 secs Computing kpt #: 247 total cpu time spent up to now is 525.9 secs Computing kpt #: 248 total cpu time spent up to now is 527.9 secs Computing kpt #: 249 total cpu time spent up to now is 529.9 secs Computing kpt #: 250 total cpu time spent up to now is 531.9 secs Computing kpt #: 251 total cpu time spent up to now is 533.8 secs Computing kpt #: 252 total cpu time spent up to now is 535.7 secs Computing kpt #: 253 total cpu time spent up to now is 538.2 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 541.9 secs Computing kpt #: 255 total cpu time spent up to now is 544.5 secs Computing kpt #: 256 total cpu time spent up to now is 546.7 secs Computing kpt #: 257 total cpu time spent up to now is 549.1 secs Computing kpt #: 258 total cpu time spent up to now is 551.2 secs Computing kpt #: 259 total cpu time spent up to now is 553.4 secs Computing kpt #: 260 total cpu time spent up to now is 555.3 secs Computing kpt #: 261 total cpu time spent up to now is 557.4 secs Computing kpt #: 262 total cpu time spent up to now is 559.3 secs Computing kpt #: 263 total cpu time spent up to now is 561.2 secs Computing kpt #: 264 total cpu time spent up to now is 563.1 secs Computing kpt #: 265 total cpu time spent up to now is 565.0 secs Computing kpt #: 266 total cpu time spent up to now is 566.8 secs Computing kpt #: 267 total cpu time spent up to now is 568.8 secs Computing kpt #: 268 total cpu time spent up to now is 570.5 secs Computing kpt #: 269 total cpu time spent up to now is 572.3 secs Computing kpt #: 270 total cpu time spent up to now is 574.2 secs Computing kpt #: 271 total cpu time spent up to now is 576.1 secs Computing kpt #: 272 total cpu time spent up to now is 578.0 secs Computing kpt #: 273 total cpu time spent up to now is 580.1 secs Computing kpt #: 274 total cpu time spent up to now is 582.2 secs Computing kpt #: 275 total cpu time spent up to now is 584.3 secs Computing kpt #: 276 total cpu time spent up to now is 586.4 secs Computing kpt #: 277 total cpu time spent up to now is 588.5 secs Computing kpt #: 278 total cpu time spent up to now is 590.6 secs Computing kpt #: 279 total cpu time spent up to now is 592.7 secs Computing kpt #: 280 total cpu time spent up to now is 594.8 secs Computing kpt #: 281 total cpu time spent up to now is 596.9 secs Computing kpt #: 282 total cpu time spent up to now is 599.0 secs Computing kpt #: 283 total cpu time spent up to now is 601.2 secs Computing kpt #: 284 total cpu time spent up to now is 603.2 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 607.0 secs Computing kpt #: 286 total cpu time spent up to now is 610.4 secs Computing kpt #: 287 total cpu time spent up to now is 613.2 secs Computing kpt #: 288 total cpu time spent up to now is 615.9 secs Computing kpt #: 289 total cpu time spent up to now is 618.5 secs Computing kpt #: 290 total cpu time spent up to now is 621.1 secs Computing kpt #: 291 total cpu time spent up to now is 623.7 secs Computing kpt #: 292 total cpu time spent up to now is 626.2 secs Computing kpt #: 293 total cpu time spent up to now is 628.8 secs Computing kpt #: 294 total cpu time spent up to now is 631.2 secs Computing kpt #: 295 total cpu time spent up to now is 633.5 secs Computing kpt #: 296 total cpu time spent up to now is 635.8 secs Computing kpt #: 297 total cpu time spent up to now is 638.2 secs Computing kpt #: 298 total cpu time spent up to now is 640.5 secs Computing kpt #: 299 total cpu time spent up to now is 642.7 secs Computing kpt #: 300 total cpu time spent up to now is 644.9 secs Computing kpt #: 301 total cpu time spent up to now is 647.1 secs Computing kpt #: 302 total cpu time spent up to now is 649.3 secs Computing kpt #: 303 total cpu time spent up to now is 651.5 secs Computing kpt #: 304 total cpu time spent up to now is 653.6 secs Computing kpt #: 305 total cpu time spent up to now is 655.6 secs Computing kpt #: 306 total cpu time spent up to now is 657.5 secs Computing kpt #: 307 total cpu time spent up to now is 659.4 secs Computing kpt #: 308 total cpu time spent up to now is 661.2 secs Computing kpt #: 309 total cpu time spent up to now is 663.1 secs Computing kpt #: 310 total cpu time spent up to now is 665.0 secs Computing kpt #: 311 total cpu time spent up to now is 666.8 secs Computing kpt #: 312 total cpu time spent up to now is 668.7 secs Computing kpt #: 313 total cpu time spent up to now is 670.6 secs Computing kpt #: 314 total cpu time spent up to now is 672.6 secs Computing kpt #: 315 total cpu time spent up to now is 674.4 secs Computing kpt #: 316 total cpu time spent up to now is 676.1 secs ethr = 1.85E-11, avg # of iterations = 41.4 total cpu time spent up to now is 676.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6855 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5602 -22.5602 -21.8609 -21.8609 -21.8609 -21.8609 -21.6276 -21.6276 -21.6207 -21.6207 -21.6207 -21.6207 -6.0105 -6.0105 -6.0104 -6.0104 -5.1598 -5.1598 -4.9598 -4.9598 -4.9583 -4.9583 -4.9462 -4.9462 -3.3675 -3.3675 -3.3636 -3.3636 -3.2225 -3.2225 -3.1455 -3.1455 -2.1532 -2.1532 -2.1467 -2.1467 -2.1054 -2.1054 -2.0580 -2.0580 -2.0525 -2.0525 -1.8387 -1.8387 -1.6509 -1.6509 -1.6317 -1.6317 7.0316 7.0316 11.6272 11.6272 11.6281 11.6281 12.1524 12.1524 12.1556 12.1556 k = 0.0128 0.0074-0.0000 ( 6853 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5599 -22.5599 -21.8611 -21.8611 -21.8609 -21.8609 -21.6278 -21.6278 -21.6207 -21.6207 -21.6205 -21.6205 -6.0109 -6.0107 -6.0101 -6.0100 -5.1606 -5.1592 -4.9616 -4.9605 -4.9575 -4.9561 -4.9469 -4.9439 -3.3713 -3.3662 -3.3646 -3.3639 -3.2225 -3.2220 -3.1453 -3.1412 -2.1545 -2.1536 -2.1468 -2.1467 -2.1077 -2.1035 -2.0597 -2.0574 -2.0530 -2.0528 -1.8397 -1.8387 -1.6506 -1.6506 -1.6314 -1.6314 7.0338 7.0338 11.6280 11.6281 11.6289 11.6290 12.1520 12.1520 12.1555 12.1557 k = 0.0256 0.0148-0.0000 ( 6861 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5591 -22.5591 -21.8617 -21.8617 -21.8608 -21.8608 -21.6284 -21.6284 -21.6209 -21.6209 -21.6202 -21.6202 -6.0120 -6.0116 -6.0091 -6.0088 -5.1616 -5.1589 -4.9645 -4.9616 -4.9554 -4.9529 -4.9458 -4.9406 -3.3788 -3.3698 -3.3645 -3.3637 -3.2222 -3.2211 -3.1405 -3.1328 -2.1570 -2.1559 -2.1475 -2.1465 -2.1104 -2.1021 -2.0620 -2.0590 -2.0546 -2.0525 -1.8418 -1.8398 -1.6499 -1.6499 -1.6307 -1.6306 7.0405 7.0405 11.6305 11.6307 11.6314 11.6316 12.1492 12.1493 12.1569 12.1570 k = 0.0385 0.0222-0.0000 ( 6869 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5578 -22.5578 -21.8626 -21.8626 -21.8606 -21.8606 -21.6293 -21.6293 -21.6212 -21.6212 -21.6198 -21.6198 -6.0138 -6.0132 -6.0073 -6.0070 -5.1627 -5.1587 -4.9675 -4.9636 -4.9529 -4.9484 -4.9430 -4.9358 -3.3895 -3.3778 -3.3633 -3.3630 -3.2215 -3.2198 -3.1317 -3.1211 -2.1609 -2.1597 -2.1491 -2.1466 -2.1133 -2.1013 -2.0650 -2.0628 -2.0568 -2.0517 -1.8449 -1.8419 -1.6487 -1.6486 -1.6295 -1.6294 7.0515 7.0515 11.6345 11.6350 11.6356 11.6362 12.1438 12.1441 12.1599 12.1601 k = 0.0513 0.0296-0.0000 ( 6873 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5560 -22.5560 -21.8640 -21.8640 -21.8603 -21.8603 -21.6305 -21.6305 -21.6216 -21.6216 -21.6193 -21.6193 -6.0162 -6.0155 -6.0048 -6.0044 -5.1639 -5.1587 -4.9707 -4.9661 -4.9501 -4.9439 -4.9379 -4.9292 -3.4024 -3.3886 -3.3620 -3.3615 -3.2203 -3.2181 -3.1198 -3.1070 -2.1665 -2.1648 -2.1517 -2.1472 -2.1164 -2.1014 -2.0688 -2.0677 -2.0593 -2.0507 -1.8489 -1.8449 -1.6472 -1.6468 -1.6278 -1.6278 7.0669 7.0669 11.6397 11.6405 11.6419 11.6427 12.1361 12.1366 12.1644 12.1647 k = 0.0641 0.0370-0.0000 ( 6865 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5537 -22.5537 -21.8657 -21.8657 -21.8600 -21.8600 -21.6318 -21.6318 -21.6221 -21.6221 -21.6188 -21.6188 -6.0192 -6.0183 -6.0016 -6.0011 -5.1650 -5.1589 -4.9741 -4.9690 -4.9475 -4.9406 -4.9297 -4.9205 -3.4167 -3.4014 -3.3603 -3.3596 -3.2188 -3.2160 -3.1055 -3.0911 -2.1742 -2.1713 -2.1554 -2.1484 -2.1196 -2.1028 -2.0746 -2.0718 -2.0616 -2.0497 -1.8538 -1.8488 -1.6453 -1.6446 -1.6257 -1.6256 7.0867 7.0867 11.6461 11.6469 11.6502 11.6510 12.1263 12.1269 12.1702 12.1705 k = 0.0769 0.0444-0.0000 ( 6869 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5508 -22.5508 -21.8678 -21.8678 -21.8597 -21.8597 -21.6332 -21.6332 -21.6227 -21.6227 -21.6184 -21.6184 -6.0228 -6.0218 -5.9977 -5.9971 -5.1662 -5.1590 -4.9775 -4.9722 -4.9449 -4.9379 -4.9192 -4.9096 -3.4318 -3.4154 -3.3583 -3.3572 -3.2170 -3.2136 -3.0897 -3.0741 -2.1842 -2.1799 -2.1601 -2.1504 -2.1231 -2.1059 -2.0809 -2.0751 -2.0635 -2.0486 -1.8594 -1.8535 -1.6431 -1.6421 -1.6233 -1.6229 7.1107 7.1107 11.6532 11.6540 11.6605 11.6613 12.1146 12.1153 12.1772 12.1776 k = 0.0897 0.0518-0.0000 ( 6861 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5474 -22.5474 -21.8704 -21.8704 -21.8592 -21.8592 -21.6347 -21.6347 -21.6234 -21.6234 -21.6181 -21.6181 -6.0269 -6.0258 -5.9932 -5.9925 -5.1672 -5.1592 -4.9810 -4.9754 -4.9426 -4.9355 -4.9068 -4.8970 -3.4474 -3.4301 -3.3558 -3.3544 -3.2148 -3.2108 -3.0727 -3.0563 -2.1965 -2.1911 -2.1656 -2.1533 -2.1272 -2.1111 -2.0865 -2.0775 -2.0648 -2.0475 -1.8657 -1.8589 -1.6409 -1.6392 -1.6206 -1.6198 7.1390 7.1390 11.6606 11.6616 11.6726 11.6735 12.1012 12.1019 12.1855 12.1859 k = 0.1026 0.0592-0.0000 ( 6847 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5436 -22.5436 -21.8733 -21.8733 -21.8587 -21.8587 -21.6363 -21.6363 -21.6242 -21.6242 -21.6178 -21.6178 -6.0316 -6.0303 -5.9881 -5.9873 -5.1681 -5.1593 -4.9845 -4.9787 -4.9404 -4.9332 -4.8927 -4.8826 -3.4631 -3.4451 -3.3530 -3.3512 -3.2123 -3.2078 -3.0551 -3.0381 -2.2114 -2.2053 -2.1718 -2.1572 -2.1323 -2.1182 -2.0909 -2.0788 -2.0656 -2.0462 -1.8724 -1.8648 -1.6385 -1.6361 -1.6175 -1.6163 7.1713 7.1714 11.6679 11.6689 11.6866 11.6875 12.0863 12.0871 12.1950 12.1955 k = 0.1154 0.0666-0.0000 ( 6843 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5392 -22.5392 -21.8767 -21.8767 -21.8582 -21.8582 -21.6379 -21.6379 -21.6251 -21.6251 -21.6176 -21.6176 -6.0366 -6.0353 -5.9825 -5.9816 -5.1688 -5.1593 -4.9881 -4.9820 -4.9383 -4.9311 -4.8771 -4.8666 -3.4786 -3.4602 -3.3498 -3.3477 -3.2096 -3.2045 -3.0372 -3.0197 -2.2289 -2.2225 -2.1786 -2.1623 -2.1385 -2.1266 -2.0938 -2.0794 -2.0656 -2.0447 -1.8796 -1.8712 -1.6361 -1.6329 -1.6141 -1.6124 7.2078 7.2078 11.6741 11.6751 11.7024 11.7033 12.0707 12.0714 12.2057 12.2063 k = 0.1282 0.0740-0.0000 ( 6849 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5344 -22.5344 -21.8806 -21.8806 -21.8576 -21.8576 -21.6396 -21.6396 -21.6260 -21.6260 -21.6176 -21.6176 -6.0421 -6.0407 -5.9763 -5.9753 -5.1693 -5.1591 -4.9917 -4.9853 -4.9363 -4.9291 -4.8601 -4.8493 -3.4937 -3.4750 -3.3463 -3.3438 -3.2066 -3.2010 -3.0192 -3.0014 -2.2490 -2.2426 -2.1862 -2.1687 -2.1459 -2.1358 -2.0953 -2.0797 -2.0647 -2.0428 -1.8870 -1.8779 -1.6339 -1.6297 -1.6104 -1.6081 7.2482 7.2482 11.6782 11.6793 11.7198 11.7209 12.0551 12.0558 12.2176 12.2183 k = 0.1410 0.0814-0.0000 ( 6843 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5291 -22.5291 -21.8848 -21.8848 -21.8569 -21.8569 -21.6413 -21.6413 -21.6269 -21.6269 -21.6176 -21.6176 -6.0479 -6.0464 -5.9697 -5.9686 -5.1696 -5.1588 -4.9953 -4.9886 -4.9343 -4.9272 -4.8417 -4.8307 -3.5084 -3.4894 -3.3425 -3.3395 -3.2034 -3.1973 -3.0012 -2.9833 -2.2716 -2.2653 -2.1947 -2.1764 -2.1541 -2.1454 -2.0959 -2.0799 -2.0631 -2.0406 -1.8945 -1.8847 -1.6317 -1.6266 -1.6064 -1.6035 7.2924 7.2925 11.6788 11.6800 11.7389 11.7400 12.0408 12.0414 12.2306 12.2314 k = 0.1538 0.0888-0.0000 ( 6843 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5233 -22.5233 -21.8896 -21.8895 -21.8562 -21.8562 -21.6429 -21.6429 -21.6279 -21.6279 -21.6177 -21.6177 -6.0540 -6.0525 -5.9627 -5.9615 -5.1697 -5.1583 -4.9988 -4.9918 -4.9324 -4.9253 -4.8221 -4.8109 -3.5224 -3.5032 -3.3385 -3.3350 -3.2000 -3.1934 -2.9835 -2.9654 -2.2964 -2.2904 -2.2040 -2.1855 -2.1631 -2.1554 -2.0957 -2.0799 -2.0606 -2.0379 -1.9019 -1.8916 -1.6297 -1.6237 -1.6021 -1.5987 7.3404 7.3405 11.6741 11.6754 11.7593 11.7605 12.0294 12.0298 12.2447 12.2456 k = 0.1667 0.0962-0.0000 ( 6847 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5171 -22.5171 -21.8947 -21.8947 -21.8554 -21.8554 -21.6446 -21.6446 -21.6290 -21.6290 -21.6179 -21.6179 -6.0604 -6.0588 -5.9553 -5.9541 -5.1695 -5.1576 -5.0024 -4.9948 -4.9305 -4.9234 -4.8013 -4.7900 -3.5358 -3.5164 -3.3342 -3.3302 -3.1965 -3.1893 -2.9661 -2.9479 -2.3234 -2.3177 -2.2144 -2.1961 -2.1726 -2.1657 -2.0951 -2.0800 -2.0573 -2.0346 -1.9093 -1.8985 -1.6280 -1.6210 -1.5975 -1.5936 7.3921 7.3921 11.6624 11.6637 11.7810 11.7823 12.0223 12.0226 12.2600 12.2610 k = 0.1795 0.1036-0.0000 ( 6851 PWs) bands (ev): -97.1466 -97.1466 -97.1462 -97.1462 -97.1461 -97.1461 -22.5104 -22.5104 -21.9004 -21.9003 -21.8546 -21.8546 -21.6462 -21.6462 -21.6300 -21.6300 -21.6182 -21.6181 -6.0669 -6.0653 -5.9477 -5.9464 -5.1691 -5.1567 -5.0058 -4.9978 -4.9285 -4.9216 -4.7796 -4.7682 -3.5483 -3.5288 -3.3298 -3.3252 -3.1927 -3.1850 -2.9490 -2.9309 -2.3522 -2.3468 -2.2257 -2.2080 -2.1828 -2.1763 -2.0942 -2.0799 -2.0533 -2.0308 -1.9163 -1.9051 -1.6264 -1.6186 -1.5927 -1.5884 7.4472 7.4473 11.6422 11.6435 11.8036 11.8050 12.0210 12.0212 12.2763 12.2775 k = 0.1923 0.1110-0.0000 ( 6851 PWs) bands (ev): -97.1466 -97.1466 -97.1462 -97.1462 -97.1461 -97.1461 -22.5033 -22.5033 -21.9064 -21.9064 -21.8537 -21.8537 -21.6478 -21.6478 -21.6311 -21.6311 -21.6185 -21.6185 -6.0736 -6.0719 -5.9399 -5.9386 -5.1685 -5.1556 -5.0092 -5.0006 -4.9266 -4.9197 -4.7570 -4.7454 -3.5600 -3.5404 -3.3253 -3.3202 -3.1888 -3.1806 -2.9324 -2.9144 -2.3826 -2.3774 -2.2382 -2.2213 -2.1934 -2.1873 -2.0930 -2.0798 -2.0488 -2.0265 -1.9229 -1.9115 -1.6251 -1.6165 -1.5876 -1.5830 7.5058 7.5059 11.6129 11.6143 11.8270 11.8285 12.0259 12.0260 12.2937 12.2950 k = 0.2051 0.1184-0.0000 ( 6851 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4958 -22.4958 -21.9130 -21.9129 -21.8529 -21.8529 -21.6493 -21.6493 -21.6322 -21.6322 -21.6190 -21.6190 -6.0804 -6.0786 -5.9320 -5.9306 -5.1676 -5.1542 -5.0124 -5.0032 -4.9245 -4.9177 -4.7335 -4.7220 -3.5707 -3.5512 -3.3208 -3.3150 -3.1847 -3.1760 -2.9163 -2.8984 -2.4144 -2.4094 -2.2517 -2.2357 -2.2047 -2.1988 -2.0917 -2.0795 -2.0437 -2.0215 -1.9292 -1.9175 -1.6240 -1.6148 -1.5825 -1.5776 7.5677 7.5677 11.5748 11.5762 11.8507 11.8523 12.0367 12.0369 12.3121 12.3136 k = 0.2179 0.1258-0.0000 ( 6851 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4879 -22.4879 -21.9199 -21.9199 -21.8520 -21.8520 -21.6508 -21.6507 -21.6332 -21.6332 -21.6195 -21.6195 -6.0872 -6.0854 -5.9240 -5.9225 -5.1666 -5.1527 -5.0156 -5.0056 -4.9223 -4.9157 -4.7094 -4.6978 -3.5805 -3.5609 -3.3165 -3.3100 -3.1805 -3.1712 -2.9008 -2.8830 -2.4472 -2.4424 -2.2664 -2.2513 -2.2165 -2.2106 -2.0903 -2.0791 -2.0381 -2.0161 -1.9349 -1.9231 -1.6232 -1.6134 -1.5772 -1.5722 7.6326 7.6328 11.5285 11.5299 11.8744 11.8761 12.0528 12.0532 12.3316 12.3333 k = 0.2308 0.1332-0.0000 ( 6847 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4796 -22.4796 -21.9273 -21.9273 -21.8510 -21.8510 -21.6521 -21.6521 -21.6343 -21.6343 -21.6201 -21.6201 -6.0940 -6.0922 -5.9160 -5.9145 -5.1653 -5.1510 -5.0186 -5.0079 -4.9199 -4.9135 -4.6847 -4.6732 -3.5892 -3.5697 -3.3124 -3.3052 -3.1759 -3.1663 -2.8859 -2.8682 -2.4807 -2.4761 -2.2821 -2.2680 -2.2288 -2.2229 -2.0888 -2.0786 -2.0322 -2.0102 -1.9401 -1.9281 -1.6226 -1.6124 -1.5718 -1.5668 7.7006 7.7008 11.4751 11.4765 11.8977 11.8995 12.0733 12.0738 12.3522 12.3540 k = 0.2436 0.1406-0.0000 ( 6855 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4710 -22.4710 -21.9352 -21.9351 -21.8501 -21.8501 -21.6534 -21.6534 -21.6353 -21.6353 -21.6207 -21.6207 -6.1007 -6.0990 -5.9081 -5.9066 -5.1639 -5.1491 -5.0215 -5.0100 -4.9172 -4.9111 -4.6596 -4.6481 -3.5969 -3.5774 -3.3087 -3.3007 -3.1711 -3.1611 -2.8717 -2.8542 -2.5147 -2.5102 -2.2989 -2.2857 -2.2415 -2.2355 -2.0872 -2.0780 -2.0260 -2.0038 -1.9448 -1.9326 -1.6223 -1.6117 -1.5665 -1.5614 7.7715 7.7717 11.4153 11.4167 11.9201 11.9221 12.0975 12.0982 12.3737 12.3758 k = 0.2564 0.1480-0.0000 ( 6853 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4621 -22.4620 -21.9434 -21.9434 -21.8491 -21.8491 -21.6547 -21.6547 -21.6363 -21.6363 -21.6215 -21.6214 -6.1073 -6.1057 -5.9003 -5.8988 -5.1623 -5.1470 -5.0244 -5.0120 -4.9143 -4.9084 -4.6341 -4.6227 -3.6034 -3.5840 -3.3055 -3.2968 -3.1660 -3.1556 -2.8582 -2.8411 -2.5487 -2.5444 -2.3166 -2.3044 -2.2547 -2.2484 -2.0856 -2.0773 -2.0197 -1.9972 -1.9488 -1.9363 -1.6223 -1.6113 -1.5612 -1.5562 7.8452 7.8453 11.3499 11.3513 11.9414 11.9435 12.1247 12.1255 12.3961 12.3985 k = 0.2692 0.1554-0.0000 ( 6853 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4528 -22.4528 -21.9520 -21.9520 -21.8482 -21.8481 -21.6558 -21.6558 -21.6372 -21.6372 -21.6222 -21.6222 -6.1139 -6.1122 -5.8927 -5.8912 -5.1605 -5.1448 -5.0272 -5.0140 -4.9111 -4.9054 -4.6084 -4.5971 -3.6089 -3.5895 -3.3029 -3.2936 -3.1605 -3.1499 -2.8458 -2.8289 -2.5824 -2.5781 -2.3352 -2.3239 -2.2682 -2.2616 -2.0840 -2.0764 -2.0133 -1.9905 -1.9522 -1.9394 -1.6225 -1.6112 -1.5560 -1.5511 7.9214 7.9216 11.2797 11.2810 11.9612 11.9634 12.1543 12.1552 12.4194 12.4220 k = 0.2821 0.1628-0.0000 ( 6855 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4433 -22.4433 -21.9609 -21.9609 -21.8472 -21.8472 -21.6569 -21.6569 -21.6381 -21.6381 -21.6231 -21.6230 -6.1202 -6.1186 -5.8854 -5.8839 -5.1585 -5.1424 -5.0300 -5.0159 -4.9075 -4.9020 -4.5826 -4.5715 -3.6131 -3.5939 -3.3012 -3.2912 -3.1547 -3.1440 -2.8345 -2.8179 -2.6151 -2.6108 -2.3545 -2.3441 -2.2820 -2.2751 -2.0823 -2.0755 -2.0072 -1.9839 -1.9548 -1.9416 -1.6229 -1.6115 -1.5509 -1.5461 8.0002 8.0004 11.2050 11.2064 11.9791 11.9814 12.1857 12.1867 12.4433 12.4461 k = 0.2949 0.1702-0.0000 ( 6863 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4335 -22.4335 -21.9702 -21.9702 -21.8462 -21.8462 -21.6578 -21.6578 -21.6390 -21.6390 -21.6239 -21.6239 -6.1264 -6.1249 -5.8785 -5.8770 -5.1564 -5.1398 -5.0328 -5.0179 -4.9035 -4.8983 -4.5569 -4.5461 -3.6161 -3.5970 -3.3004 -3.2899 -3.1484 -3.1379 -2.8250 -2.8087 -2.6460 -2.6417 -2.3744 -2.3649 -2.2960 -2.2887 -2.0806 -2.0744 -2.0015 -1.9781 -1.9561 -1.9428 -1.6236 -1.6120 -1.5460 -1.5413 8.0813 8.0815 11.1265 11.1279 11.9951 11.9973 12.2185 12.2196 12.4675 12.4706 k = 0.3077 0.1776-0.0000 ( 6865 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4235 -22.4235 -21.9797 -21.9797 -21.8453 -21.8453 -21.6587 -21.6587 -21.6398 -21.6398 -21.6248 -21.6248 -6.1323 -6.1309 -5.8719 -5.8704 -5.1541 -5.1371 -5.0357 -5.0199 -4.8991 -4.8941 -4.5314 -4.5208 -3.6180 -3.5990 -3.3008 -3.2897 -3.1420 -3.1317 -2.8180 -2.8022 -2.6739 -2.6694 -2.3948 -2.3861 -2.3102 -2.3025 -2.0789 -2.0733 -1.9964 -1.9741 -1.9552 -1.9429 -1.6244 -1.6129 -1.5412 -1.5367 8.1646 8.1648 11.0446 11.0459 12.0089 12.0111 12.2522 12.2535 12.4916 12.4950 k = 0.3205 0.1850-0.0000 ( 6869 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4134 -22.4134 -21.9895 -21.9894 -21.8444 -21.8444 -21.6595 -21.6595 -21.6405 -21.6405 -21.6257 -21.6257 -6.1380 -6.1366 -5.8657 -5.8643 -5.1516 -5.1343 -5.0386 -5.0221 -4.8943 -4.8895 -4.5063 -4.4960 -3.6185 -3.5997 -3.3024 -3.2909 -3.1354 -3.1257 -2.8150 -2.8000 -2.6967 -2.6922 -2.4154 -2.4076 -2.3244 -2.3164 -2.0772 -2.0722 -1.9921 -1.9726 -1.9514 -1.9418 -1.6254 -1.6139 -1.5367 -1.5323 8.2500 8.2502 10.9596 10.9609 12.0205 12.0227 12.2863 12.2878 12.5150 12.5187 k = 0.3333 0.1925-0.0000 ( 6879 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4031 -22.4031 -21.9994 -21.9994 -21.8435 -21.8435 -21.6602 -21.6602 -21.6412 -21.6412 -21.6267 -21.6267 -6.1434 -6.1421 -5.8599 -5.8586 -5.1489 -5.1313 -5.0416 -5.0245 -4.8891 -4.8845 -4.4817 -4.4718 -3.6178 -3.5991 -3.3054 -3.2934 -3.1289 -3.1200 -2.8178 -2.8041 -2.7124 -2.7075 -2.4360 -2.4290 -2.3387 -2.3303 -2.0755 -2.0710 -1.9889 -1.9728 -1.9458 -1.9394 -1.6266 -1.6152 -1.5323 -1.5282 8.3373 8.3376 10.8719 10.8732 12.0300 12.0322 12.3206 12.3222 12.5373 12.5412 k = 0.3462 0.1999-0.0000 ( 6875 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.3928 -22.3928 -22.0094 -22.0094 -21.8426 -21.8426 -21.6609 -21.6609 -21.6418 -21.6418 -21.6276 -21.6276 -6.1485 -6.1472 -5.8546 -5.8533 -5.1461 -5.1282 -5.0448 -5.0270 -4.8836 -4.8791 -4.4578 -4.4483 -3.6157 -3.5972 -3.3099 -3.2975 -3.1228 -3.1150 -2.8268 -2.8144 -2.7201 -2.7147 -2.4563 -2.4501 -2.3529 -2.3441 -2.0738 -2.0698 -1.9866 -1.9737 -1.9395 -1.9359 -1.6278 -1.6167 -1.5282 -1.5244 8.4265 8.4268 10.7819 10.7831 12.0374 12.0395 12.3545 12.3563 12.5578 12.5618 k = 0.3590 0.2073-0.0000 ( 6879 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.3825 -22.3825 -22.0195 -22.0195 -21.8418 -21.8418 -21.6614 -21.6614 -21.6423 -21.6423 -21.6286 -21.6285 -6.1532 -6.1521 -5.8497 -5.8485 -5.1431 -5.1249 -5.0481 -5.0298 -4.8779 -4.8736 -4.4348 -4.4258 -3.6122 -3.5940 -3.3159 -3.3031 -3.1175 -3.1111 -2.8398 -2.8280 -2.7217 -2.7162 -2.4760 -2.4706 -2.3670 -2.3579 -2.0722 -2.0686 -1.9851 -1.9748 -1.9334 -1.9312 -1.6291 -1.6184 -1.5244 -1.5208 8.5173 8.5177 10.6897 10.6909 12.0430 12.0450 12.3877 12.3897 12.5759 12.5800 k = 0.3718 0.2147-0.0000 ( 6873 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.3723 -22.3723 -22.0296 -22.0296 -21.8410 -21.8410 -21.6619 -21.6619 -21.6427 -21.6427 -21.6295 -21.6295 -6.1576 -6.1565 -5.8453 -5.8442 -5.1399 -5.1215 -5.0516 -5.0329 -4.8719 -4.8679 -4.4129 -4.4044 -3.6074 -3.5894 -3.3237 -3.3105 -3.1134 -3.1085 -2.8534 -2.8415 -2.7202 -2.7151 -2.4947 -2.4899 -2.3809 -2.3716 -2.0706 -2.0674 -1.9842 -1.9759 -1.9277 -1.9255 -1.6304 -1.6201 -1.5208 -1.5175 8.6097 8.6101 10.5957 10.5969 12.0470 12.0488 12.4198 12.4221 12.5914 12.5955 k = 0.3846 0.2221-0.0000 ( 6875 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.3622 -22.3622 -22.0395 -22.0395 -21.8403 -21.8403 -21.6624 -21.6624 -21.6431 -21.6431 -21.6304 -21.6304 -6.1616 -6.1607 -5.8414 -5.8404 -5.1366 -5.1180 -5.0552 -5.0362 -4.8659 -4.8621 -4.3922 -4.3844 -3.6013 -3.5834 -3.3332 -3.3195 -3.1110 -3.1075 -2.8650 -2.8525 -2.7179 -2.7139 -2.5119 -2.5076 -2.3945 -2.3850 -2.0690 -2.0662 -1.9837 -1.9769 -1.9225 -1.9196 -1.6317 -1.6220 -1.5175 -1.5145 8.7035 8.7040 10.5002 10.5013 12.0495 12.0512 12.4505 12.4531 12.6042 12.6083 k = 0.3974 0.2295-0.0000 ( 6873 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.3524 -22.3524 -22.0492 -22.0492 -21.8396 -21.8396 -21.6628 -21.6628 -21.6434 -21.6434 -21.6312 -21.6312 -6.1653 -6.1644 -5.8379 -5.8370 -5.1331 -5.1145 -5.0588 -5.0397 -4.8600 -4.8565 -4.3730 -4.3658 -3.5937 -3.5761 -3.3444 -3.3303 -3.1105 -3.1081 -2.8730 -2.8598 -2.7163 -2.7138 -2.5272 -2.5229 -2.4077 -2.3980 -2.0676 -2.0652 -1.9834 -1.9779 -1.9173 -1.9140 -1.6329 -1.6239 -1.5145 -1.5118 8.7986 8.7991 10.4034 10.4045 12.0509 12.0524 12.4795 12.4823 12.6144 12.6185 k = 0.4103 0.2369-0.0000 ( 6884 PWs) bands (ev): -97.1465 -97.1465 -97.1463 -97.1463 -97.1461 -97.1461 -22.3431 -22.3430 -22.0585 -22.0584 -21.8390 -21.8390 -21.6631 -21.6631 -21.6437 -21.6437 -21.6321 -21.6321 -6.1685 -6.1677 -5.8349 -5.8341 -5.1295 -5.1109 -5.0625 -5.0434 -4.8543 -4.8512 -4.3554 -4.3490 -3.5847 -3.5675 -3.3572 -3.3429 -3.1121 -3.1099 -2.8770 -2.8631 -2.7167 -2.7158 -2.5399 -2.5352 -2.4204 -2.4107 -2.0663 -2.0642 -1.9833 -1.9787 -1.9124 -1.9089 -1.6341 -1.6258 -1.5118 -1.5094 8.8947 8.8953 10.3054 10.3065 12.0514 12.0528 12.5063 12.5094 12.6223 12.6264 k = 0.4231 0.2443-0.0000 ( 6888 PWs) bands (ev): -97.1465 -97.1465 -97.1463 -97.1463 -97.1461 -97.1461 -22.3342 -22.3342 -22.0672 -22.0672 -21.8385 -21.8385 -21.6634 -21.6634 -21.6439 -21.6439 -21.6328 -21.6328 -6.1713 -6.1707 -5.8323 -5.8316 -5.1257 -5.1074 -5.0662 -5.0473 -4.8489 -4.8462 -4.3397 -4.3340 -3.5745 -3.5575 -3.3715 -3.3569 -3.1152 -3.1127 -2.8768 -2.8624 -2.7212 -2.7188 -2.5496 -2.5440 -2.4323 -2.4228 -2.0651 -2.0633 -1.9832 -1.9795 -1.9078 -1.9044 -1.6350 -1.6277 -1.5094 -1.5074 8.9919 8.9924 10.2067 10.2077 12.0513 12.0525 12.5307 12.5341 12.6283 12.6324 k = 0.4359 0.2517-0.0000 ( 6882 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3262 -22.3262 -22.0752 -22.0752 -21.8380 -21.8380 -21.6636 -21.6636 -21.6440 -21.6440 -21.6335 -21.6335 -6.1737 -6.1732 -5.8301 -5.8295 -5.1218 -5.1041 -5.0696 -5.0514 -4.8441 -4.8417 -4.3259 -4.3211 -3.5629 -3.5463 -3.3870 -3.3723 -3.1189 -3.1162 -2.8730 -2.8585 -2.7287 -2.7242 -2.5560 -2.5496 -2.4433 -2.4342 -2.0640 -2.0626 -1.9831 -1.9802 -1.9037 -1.9005 -1.6358 -1.6295 -1.5074 -1.5056 9.0897 9.0903 10.1073 10.1083 12.0508 12.0518 12.5524 12.5560 12.6325 12.6367 k = 0.4487 0.2591-0.0000 ( 6878 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3191 -22.3191 -22.0822 -22.0822 -21.8376 -21.8376 -21.6638 -21.6638 -21.6441 -21.6441 -21.6341 -21.6341 -6.1757 -6.1752 -5.8284 -5.8279 -5.1179 -5.1012 -5.0725 -5.0555 -4.8399 -4.8379 -4.3143 -4.3104 -3.5502 -3.5342 -3.4032 -3.3886 -3.1225 -3.1199 -2.8662 -2.8522 -2.7384 -2.7322 -2.5591 -2.5524 -2.4530 -2.4446 -2.0631 -2.0619 -1.9831 -1.9808 -1.9001 -1.8974 -1.6363 -1.6312 -1.5057 -1.5043 9.1880 9.1887 10.0078 10.0087 12.0502 12.0510 12.5711 12.5749 12.6353 12.6395 k = 0.4615 0.2665-0.0000 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3133 -22.3132 -22.0881 -22.0881 -21.8373 -21.8373 -21.6639 -21.6639 -21.6441 -21.6441 -21.6346 -21.6346 -6.1772 -6.1769 -5.8270 -5.8266 -5.1139 -5.0993 -5.0745 -5.0596 -4.8364 -4.8349 -4.3050 -4.3020 -3.5367 -3.5214 -3.4195 -3.4053 -3.1256 -3.1234 -2.8574 -2.8445 -2.7492 -2.7420 -2.5597 -2.5534 -2.4610 -2.4539 -2.0624 -2.0615 -1.9830 -1.9813 -1.8971 -1.8950 -1.6366 -1.6327 -1.5043 -1.5032 9.2863 9.2870 9.9085 9.9094 12.0495 12.0501 12.5866 12.5903 12.6369 12.6409 k = 0.4744 0.2739-0.0000 ( 6884 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3088 -22.3088 -22.0925 -22.0925 -21.8371 -21.8371 -21.6640 -21.6640 -21.6442 -21.6441 -21.6349 -21.6349 -6.1783 -6.1781 -5.8260 -5.8258 -5.1100 -5.0989 -5.0749 -5.0636 -4.8338 -4.8328 -4.2982 -4.2961 -3.5227 -3.5092 -3.4345 -3.4216 -3.1279 -3.1263 -2.8476 -2.8370 -2.7594 -2.7524 -2.5586 -2.5537 -2.4669 -2.4616 -2.0618 -2.0612 -1.9828 -1.9817 -1.8949 -1.8934 -1.6367 -1.6340 -1.5032 -1.5025 9.3835 9.3842 9.8106 9.8114 12.0489 12.0493 12.5986 12.6019 12.6376 12.6410 k = 0.4872 0.2813-0.0000 ( 6892 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3061 -22.3061 -22.0952 -22.0952 -21.8370 -21.8370 -21.6641 -21.6641 -21.6442 -21.6442 -21.6351 -21.6351 -6.1789 -6.1788 -5.8254 -5.8253 -5.1062 -5.1003 -5.0736 -5.0675 -4.8321 -4.8316 -4.2938 -4.2928 -3.5095 -3.5002 -3.4453 -3.4363 -3.1292 -3.1283 -2.8385 -2.8320 -2.7664 -2.7617 -2.5567 -2.5540 -2.4700 -2.4671 -2.0614 -2.0611 -1.9826 -1.9821 -1.8933 -1.8926 -1.6364 -1.6351 -1.5026 -1.5022 9.4752 9.4759 9.7184 9.7192 12.0486 12.0488 12.6068 12.6089 12.6380 12.6401 k = 0.5000 0.2887-0.0000 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3051 -22.3051 -22.0962 -22.0962 -21.8369 -21.8369 -21.6641 -21.6641 -21.6442 -21.6442 -21.6352 -21.6352 -6.1791 -6.1791 -5.8252 -5.8252 -5.1029 -5.1029 -5.0709 -5.0709 -4.8313 -4.8313 -4.2920 -4.2920 -3.5001 -3.5001 -3.4461 -3.4461 -3.1293 -3.1293 -2.8324 -2.8324 -2.7672 -2.7672 -2.5550 -2.5550 -2.4701 -2.4701 -2.0611 -2.0611 -1.9824 -1.9824 -1.8925 -1.8925 -1.6359 -1.6359 -1.5022 -1.5022 9.5300 9.5300 9.6642 9.6642 12.0486 12.0486 12.6105 12.6105 12.6388 12.6388 k = 0.5000 0.2887-0.0000 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3051 -22.3051 -22.0962 -22.0962 -21.8369 -21.8369 -21.6641 -21.6641 -21.6442 -21.6442 -21.6352 -21.6352 -6.1791 -6.1791 -5.8252 -5.8252 -5.1029 -5.1029 -5.0709 -5.0709 -4.8313 -4.8313 -4.2920 -4.2920 -3.5001 -3.5001 -3.4461 -3.4461 -3.1293 -3.1293 -2.8324 -2.8324 -2.7672 -2.7672 -2.5550 -2.5550 -2.4701 -2.4701 -2.0611 -2.0611 -1.9824 -1.9824 -1.8925 -1.8925 -1.6359 -1.6359 -1.5022 -1.5022 9.5300 9.5300 9.6642 9.6642 12.0486 12.0486 12.6105 12.6105 12.6388 12.6388 k = 0.4928 0.3012-0.0000 ( 6894 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3049 -22.3049 -22.0963 -22.0963 -21.8371 -21.8371 -21.6641 -21.6641 -21.6442 -21.6442 -21.6352 -21.6352 -6.1795 -6.1794 -5.8242 -5.8241 -5.1045 -5.1043 -5.0711 -5.0706 -4.8310 -4.8300 -4.2925 -4.2912 -3.5004 -3.4992 -3.4464 -3.4450 -3.1304 -3.1296 -2.8325 -2.8320 -2.7680 -2.7663 -2.5554 -2.5536 -2.4707 -2.4705 -2.0621 -2.0620 -1.9830 -1.9827 -1.8917 -1.8915 -1.6363 -1.6358 -1.5025 -1.5017 9.5314 9.5314 9.6653 9.6653 12.0365 12.0369 12.6214 12.6218 12.6404 12.6405 k = 0.4855 0.3138-0.0000 ( 6890 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3042 -22.3042 -22.0967 -22.0967 -21.8375 -21.8375 -21.6640 -21.6640 -21.6441 -21.6441 -21.6352 -21.6352 -6.1806 -6.1804 -5.8213 -5.8210 -5.1093 -5.1088 -5.0709 -5.0699 -4.8293 -4.8272 -4.2927 -4.2901 -3.4999 -3.4975 -3.4458 -3.4432 -3.1330 -3.1314 -2.8323 -2.8313 -2.7687 -2.7654 -2.5547 -2.5511 -2.4724 -2.4719 -2.0649 -2.0646 -1.9846 -1.9840 -1.8890 -1.8887 -1.6371 -1.6360 -1.5025 -1.5009 9.5354 9.5355 9.6687 9.6687 12.0033 12.0038 12.6444 12.6444 12.6529 12.6535 k = 0.4783 0.3263-0.0000 ( 6894 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3030 -22.3030 -22.0974 -22.0974 -21.8382 -21.8382 -21.6640 -21.6640 -21.6441 -21.6441 -21.6351 -21.6351 -6.1824 -6.1821 -5.8164 -5.8159 -5.1173 -5.1165 -5.0701 -5.0688 -4.8263 -4.8234 -4.2925 -4.2888 -3.4986 -3.4952 -3.4445 -3.4407 -3.1368 -3.1346 -2.8319 -2.8303 -2.7691 -2.7645 -2.5530 -2.5476 -2.4751 -2.4744 -2.0692 -2.0688 -1.9871 -1.9862 -1.8846 -1.8843 -1.6382 -1.6366 -1.5023 -1.4999 9.5422 9.5423 9.6743 9.6743 11.9539 11.9547 12.6524 12.6525 12.6980 12.6988 k = 0.4710 0.3389-0.0000 ( 6874 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3014 -22.3014 -22.0984 -22.0984 -21.8392 -21.8392 -21.6639 -21.6639 -21.6441 -21.6441 -21.6350 -21.6350 -6.1848 -6.1844 -5.8096 -5.8090 -5.1281 -5.1269 -5.0685 -5.0669 -4.8224 -4.8188 -4.2919 -4.2871 -3.4967 -3.4921 -3.4425 -3.4375 -3.1420 -3.1390 -2.8310 -2.8290 -2.7694 -2.7635 -2.5502 -2.5434 -2.4789 -2.4779 -2.0748 -2.0743 -1.9904 -1.9893 -1.8788 -1.8784 -1.6396 -1.6376 -1.5019 -1.4988 9.5516 9.5517 9.6821 9.6821 11.8935 11.8944 12.6632 12.6632 12.7530 12.7540 k = 0.4638 0.3514-0.0000 ( 6882 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2993 -22.2993 -22.0996 -22.0996 -21.8404 -21.8404 -21.6638 -21.6638 -21.6440 -21.6440 -21.6350 -21.6349 -6.1877 -6.1872 -5.8010 -5.8003 -5.1413 -5.1399 -5.0660 -5.0642 -4.8183 -4.8141 -4.2908 -4.2850 -3.4942 -3.4884 -3.4399 -3.4337 -3.1483 -3.1448 -2.8299 -2.8274 -2.7693 -2.7625 -2.5467 -2.5385 -2.4837 -2.4825 -2.0813 -2.0808 -1.9947 -1.9933 -1.8720 -1.8715 -1.6413 -1.6389 -1.5012 -1.4975 9.5637 9.5639 9.6921 9.6922 11.8255 11.8264 12.6768 12.6769 12.8143 12.8152 k = 0.4565 0.3640-0.0000 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2967 -22.2967 -22.1012 -22.1012 -21.8418 -21.8418 -21.6637 -21.6637 -21.6440 -21.6440 -21.6349 -21.6349 -6.1910 -6.1905 -5.7908 -5.7900 -5.1565 -5.1549 -5.0627 -5.0608 -4.8142 -4.8097 -4.2891 -4.2825 -3.4910 -3.4841 -3.4366 -3.4293 -3.1555 -3.1515 -2.8284 -2.8255 -2.7689 -2.7614 -2.5425 -2.5332 -2.4895 -2.4881 -2.0885 -2.0878 -1.9997 -1.9981 -1.8642 -1.8638 -1.6432 -1.6406 -1.5003 -1.4961 9.5785 9.5787 9.7044 9.7044 11.7523 11.7532 12.6933 12.6934 12.8793 12.8803 k = 0.4493 0.3765-0.0000 ( 6890 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2937 -22.2937 -22.1031 -22.1031 -21.8433 -21.8433 -21.6636 -21.6636 -21.6439 -21.6439 -21.6348 -21.6348 -6.1946 -6.1940 -5.7791 -5.7783 -5.1732 -5.1716 -5.0587 -5.0566 -4.8106 -4.8059 -4.2868 -4.2795 -3.4873 -3.4793 -3.4329 -3.4246 -3.1636 -3.1593 -2.8264 -2.8231 -2.7681 -2.7602 -2.5379 -2.5278 -2.4964 -2.4947 -2.0959 -2.0953 -2.0055 -2.0037 -1.8558 -1.8554 -1.6454 -1.6427 -1.4992 -1.4946 9.5959 9.5961 9.7188 9.7189 11.6750 11.6760 12.7125 12.7126 12.9468 12.9478 k = 0.4420 0.3891-0.0000 ( 6886 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2903 -22.2903 -22.1053 -22.1053 -21.8450 -21.8450 -21.6635 -21.6635 -21.6438 -21.6438 -21.6347 -21.6347 -6.1984 -6.1978 -5.7661 -5.7652 -5.1911 -5.1895 -5.0539 -5.0517 -4.8079 -4.8032 -4.2839 -4.2760 -3.4831 -3.4741 -3.4287 -3.4195 -3.1724 -3.1677 -2.8240 -2.8204 -2.7668 -2.7588 -2.5333 -2.5224 -2.5040 -2.5022 -2.1034 -2.1029 -2.0119 -2.0099 -1.8470 -1.8466 -1.6478 -1.6451 -1.4979 -1.4931 9.6159 9.6162 9.7354 9.7355 11.5948 11.5957 12.7343 12.7344 13.0158 13.0168 k = 0.4348 0.4016-0.0000 ( 6896 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2864 -22.2864 -22.1079 -22.1079 -21.8468 -21.8468 -21.6633 -21.6633 -21.6437 -21.6437 -21.6347 -21.6347 -6.2023 -6.2017 -5.7519 -5.7509 -5.2100 -5.2084 -5.0484 -5.0460 -4.8062 -4.8016 -4.2802 -4.2721 -3.4785 -3.4684 -3.4243 -3.4143 -3.1817 -3.1768 -2.8211 -2.8172 -2.7651 -2.7571 -2.5291 -2.5188 -2.5112 -2.5101 -2.1108 -2.1103 -2.0189 -2.0167 -1.8378 -1.8375 -1.6505 -1.6478 -1.4965 -1.4915 9.6385 9.6388 9.7542 9.7542 11.5120 11.5129 12.7584 12.7585 13.0856 13.0866 k = 0.4275 0.4142-0.0000 ( 6908 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2821 -22.2821 -22.1109 -22.1109 -21.8487 -21.8487 -21.6632 -21.6632 -21.6436 -21.6436 -21.6346 -21.6346 -6.2062 -6.2056 -5.7367 -5.7356 -5.2295 -5.2280 -5.0422 -5.0396 -4.8057 -4.8014 -4.2758 -4.2676 -3.4736 -3.4624 -3.4197 -3.4090 -3.1913 -3.1862 -2.8177 -2.8136 -2.7629 -2.7552 -2.5281 -2.5247 -2.5162 -2.5102 -2.1177 -2.1173 -2.0263 -2.0240 -1.8285 -1.8282 -1.6534 -1.6508 -1.4950 -1.4900 9.6636 9.6639 9.7750 9.7751 11.4272 11.4281 12.7847 12.7848 13.1557 13.1566 k = 0.4203 0.4267-0.0000 ( 6900 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2773 -22.2773 -22.1143 -22.1143 -21.8506 -21.8506 -21.6631 -21.6631 -21.6434 -21.6434 -21.6347 -21.6346 -6.2100 -6.2094 -5.7205 -5.7194 -5.2496 -5.2481 -5.0353 -5.0325 -4.8066 -4.8027 -4.2709 -4.2626 -3.4684 -3.4562 -3.4150 -3.4037 -3.2010 -3.1959 -2.8137 -2.8094 -2.7602 -2.7529 -2.5352 -2.5351 -2.5156 -2.5062 -2.1240 -2.1239 -2.0341 -2.0316 -1.8191 -1.8189 -1.6564 -1.6541 -1.4935 -1.4885 9.6912 9.6916 9.7979 9.7980 11.3406 11.3414 12.8127 12.8128 13.2216 13.2223 k = 0.4130 0.4393-0.0000 ( 6892 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2721 -22.2721 -22.1182 -22.1182 -21.8525 -21.8525 -21.6629 -21.6629 -21.6432 -21.6432 -21.6347 -21.6347 -6.2138 -6.2132 -5.7035 -5.7024 -5.2700 -5.2686 -5.0276 -5.0247 -4.8088 -4.8055 -4.2653 -4.2573 -3.4631 -3.4499 -3.4104 -3.3987 -3.2107 -3.2057 -2.8091 -2.8047 -2.7570 -2.7503 -2.5469 -2.5460 -2.5126 -2.5026 -2.1297 -2.1295 -2.0422 -2.0394 -1.8097 -1.8095 -1.6597 -1.6577 -1.4919 -1.4870 9.7213 9.7217 9.8228 9.8230 11.2523 11.2531 12.8421 12.8423 13.2357 13.2363 k = 0.4058 0.4518-0.0000 ( 6900 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2665 -22.2665 -22.1224 -22.1224 -21.8543 -21.8543 -21.6628 -21.6628 -21.6430 -21.6430 -21.6348 -21.6348 -6.2173 -6.2167 -5.6858 -5.6848 -5.2906 -5.2894 -5.0193 -5.0162 -4.8124 -4.8097 -4.2594 -4.2518 -3.4577 -3.4435 -3.4059 -3.3940 -3.2203 -3.2153 -2.8038 -2.7994 -2.7532 -2.7472 -2.5595 -2.5584 -2.5098 -2.4999 -2.1346 -2.1341 -2.0504 -2.0474 -1.8004 -1.8003 -1.6633 -1.6616 -1.4903 -1.4856 9.7538 9.7542 9.8498 9.8499 11.1625 11.1633 12.8725 12.8726 13.2498 13.2505 k = 0.3986 0.4644-0.0000 ( 6894 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2606 -22.2605 -22.1272 -22.1272 -21.8560 -21.8560 -21.6626 -21.6626 -21.6428 -21.6428 -21.6350 -21.6350 -6.2206 -6.2201 -5.6676 -5.6666 -5.3114 -5.3103 -5.0103 -5.0071 -4.8174 -4.8153 -4.2532 -4.2460 -3.4522 -3.4371 -3.4018 -3.3896 -3.2294 -3.2247 -2.7978 -2.7935 -2.7488 -2.7437 -2.5730 -2.5718 -2.5076 -2.4982 -2.1385 -2.1376 -2.0586 -2.0555 -1.7911 -1.7911 -1.6670 -1.6657 -1.4887 -1.4843 9.7886 9.7891 9.8786 9.8788 11.0715 11.0722 12.9031 12.9033 13.2659 13.2666 k = 0.3913 0.4769-0.0000 ( 6894 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2542 -22.2542 -22.1324 -22.1324 -21.8577 -21.8577 -21.6625 -21.6625 -21.6425 -21.6425 -21.6352 -21.6352 -6.2237 -6.2232 -5.6489 -5.6480 -5.3322 -5.3312 -5.0006 -4.9973 -4.8235 -4.8221 -4.2469 -4.2403 -3.4468 -3.4308 -3.3980 -3.3859 -3.2381 -3.2337 -2.7911 -2.7870 -2.7440 -2.7398 -2.5871 -2.5859 -2.5064 -2.4976 -2.1414 -2.1400 -2.0669 -2.0635 -1.7821 -1.7820 -1.6710 -1.6702 -1.4872 -1.4831 9.8258 9.8263 9.9094 9.9096 10.9792 10.9798 12.9334 12.9335 13.2844 13.2851 k = 0.3841 0.4895-0.0000 ( 6894 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2474 -22.2474 -22.1381 -22.1381 -21.8591 -21.8591 -21.6624 -21.6624 -21.6422 -21.6422 -21.6355 -21.6354 -6.2265 -6.2260 -5.6298 -5.6290 -5.3529 -5.3521 -4.9904 -4.9869 -4.8308 -4.8301 -4.2407 -4.2348 -3.4416 -3.4247 -3.3948 -3.3828 -3.2462 -3.2421 -2.7838 -2.7799 -2.7387 -2.7354 -2.6018 -2.6007 -2.5062 -2.4981 -2.1431 -2.1411 -2.0750 -2.0715 -1.7734 -1.7732 -1.6752 -1.6750 -1.4857 -1.4821 9.8652 9.8657 9.9420 9.9422 10.8858 10.8864 12.9624 12.9625 13.3056 13.3065 k = 0.3768 0.5020-0.0000 ( 6896 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2403 -22.2403 -22.1442 -22.1442 -21.8604 -21.8604 -21.6623 -21.6623 -21.6418 -21.6418 -21.6358 -21.6358 -6.2290 -6.2286 -5.6105 -5.6098 -5.3736 -5.3729 -4.9796 -4.9759 -4.8392 -4.8391 -4.2347 -4.2295 -3.4365 -3.4188 -3.3922 -3.3805 -3.2535 -3.2498 -2.7756 -2.7721 -2.7331 -2.7308 -2.6168 -2.6160 -2.5068 -2.4997 -2.1436 -2.1410 -2.0829 -2.0792 -1.7648 -1.7645 -1.6800 -1.6796 -1.4844 -1.4811 9.9068 9.9074 9.9764 9.9767 10.7913 10.7919 12.9892 12.9893 13.3302 13.3311 k = 0.3696 0.5146-0.0000 ( 6916 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2329 -22.2329 -22.1509 -22.1509 -21.8615 -21.8615 -21.6622 -21.6622 -21.6414 -21.6414 -21.6362 -21.6362 -6.2311 -6.2307 -5.5911 -5.5904 -5.3941 -5.3936 -4.9684 -4.9645 -4.8491 -4.8483 -4.2291 -4.2248 -3.4317 -3.4131 -3.3902 -3.3790 -3.2598 -3.2567 -2.7668 -2.7637 -2.7272 -2.7260 -2.6321 -2.6316 -2.5082 -2.5022 -2.1430 -2.1397 -2.0905 -2.0867 -1.7566 -1.7561 -1.6853 -1.6843 -1.4831 -1.4804 9.9505 9.9512 10.0126 10.0129 10.6959 10.6965 13.0129 13.0131 13.3585 13.3595 k = 0.3623 0.5271-0.0000 ( 6908 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2251 -22.2251 -22.1580 -22.1580 -21.8624 -21.8624 -21.6622 -21.6622 -21.6410 -21.6410 -21.6366 -21.6366 -6.2328 -6.2325 -5.5715 -5.5709 -5.4144 -5.4140 -4.9568 -4.9527 -4.8598 -4.8582 -4.2242 -4.2207 -3.4272 -3.4077 -3.3890 -3.3785 -3.2652 -3.2626 -2.7574 -2.7547 -2.7213 -2.7212 -2.6473 -2.6473 -2.5101 -2.5052 -2.1413 -2.1373 -2.0978 -2.0940 -1.7486 -1.7481 -1.6909 -1.6892 -1.4820 -1.4798 9.9964 9.9970 10.0504 10.0507 10.5997 10.6002 13.0330 13.0331 13.3908 13.3918 k = 0.3551 0.5397-0.0000 ( 6904 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2170 -22.2170 -22.1656 -22.1656 -21.8631 -21.8631 -21.6621 -21.6621 -21.6405 -21.6405 -21.6371 -21.6371 -6.2342 -6.2340 -5.5520 -5.5515 -5.4345 -5.4342 -4.9448 -4.9406 -4.8711 -4.8688 -4.2200 -4.2173 -3.4232 -3.4025 -3.3885 -3.3791 -3.2694 -3.2675 -2.7473 -2.7452 -2.7166 -2.7155 -2.6627 -2.6623 -2.5123 -2.5086 -2.1388 -2.1339 -2.1047 -2.1009 -1.7410 -1.7405 -1.6967 -1.6942 -1.4811 -1.4794 10.0442 10.0449 10.0898 10.0902 10.5028 10.5032 13.0487 13.0488 13.4268 13.4279 k = 0.3478 0.5522-0.0000 ( 6906 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2086 -22.2086 -22.1737 -22.1736 -21.8636 -21.8636 -21.6621 -21.6621 -21.6400 -21.6400 -21.6376 -21.6376 -6.2352 -6.2350 -5.5325 -5.5321 -5.4543 -5.4542 -4.9327 -4.9283 -4.8829 -4.8799 -4.2167 -4.2149 -3.4197 -3.3975 -3.3887 -3.3807 -3.2725 -3.2712 -2.7368 -2.7353 -2.7127 -2.7104 -2.6775 -2.6767 -2.5143 -2.5119 -2.1355 -2.1297 -2.1110 -2.1074 -1.7339 -1.7335 -1.7026 -1.6992 -1.4803 -1.4792 10.0939 10.0947 10.1307 10.1311 10.4053 10.4057 13.0600 13.0601 13.4662 13.4674 k = 0.3406 0.5648-0.0000 ( 6924 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1461 -97.1461 -22.2000 -22.1999 -22.1821 -22.1821 -21.8639 -21.8639 -21.6621 -21.6621 -21.6394 -21.6394 -21.6382 -21.6382 -6.2357 -6.2357 -5.5132 -5.5129 -5.4737 -5.4736 -4.9206 -4.9159 -4.8949 -4.8914 -4.2144 -4.2136 -3.4172 -3.3928 -3.3892 -3.3834 -3.2742 -3.2736 -2.7265 -2.7259 -2.7106 -2.7063 -2.6902 -2.6893 -2.5156 -2.5145 -2.1320 -2.1248 -2.1163 -2.1135 -1.7278 -1.7278 -1.7081 -1.7036 -1.4797 -1.4792 10.1456 10.1464 10.1726 10.1731 10.3076 10.3079 13.0667 13.0668 13.5082 13.5095 k = 0.3333 0.5774-0.0000 ( 6930 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1461 -97.1461 -22.1910 -22.1910 -22.1910 -22.1910 -21.8640 -21.8640 -21.6621 -21.6621 -21.6388 -21.6388 -21.6388 -21.6388 -6.2359 -6.2359 -5.4972 -5.4972 -5.4897 -5.4894 -4.9111 -4.9047 -4.9047 -4.9020 -4.2134 -4.2134 -3.4162 -3.3895 -3.3895 -3.3860 -3.2747 -3.2747 -2.7202 -2.7202 -2.7118 -2.7049 -2.6957 -2.6957 -2.5158 -2.5158 -2.1301 -2.1194 -2.1190 -2.1190 -1.7250 -1.7250 -1.7110 -1.7057 -1.4794 -1.4794 10.1975 10.1991 10.2006 10.2006 10.2264 10.2264 13.0690 13.0690 13.5487 13.5513 k = 0.3333 0.5774-0.0000 ( 6930 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1461 -97.1461 -22.1910 -22.1910 -22.1910 -22.1910 -21.8640 -21.8640 -21.6621 -21.6621 -21.6388 -21.6388 -21.6388 -21.6388 -6.2359 -6.2359 -5.4972 -5.4972 -5.4897 -5.4894 -4.9111 -4.9047 -4.9047 -4.9020 -4.2134 -4.2134 -3.4162 -3.3895 -3.3895 -3.3860 -3.2747 -3.2747 -2.7202 -2.7202 -2.7118 -2.7049 -2.6957 -2.6957 -2.5158 -2.5158 -2.1301 -2.1194 -2.1190 -2.1190 -1.7250 -1.7250 -1.7110 -1.7057 -1.4794 -1.4794 10.1975 10.1991 10.2006 10.2006 10.2264 10.2264 13.0690 13.0690 13.5487 13.5536 k = 0.3259 0.5645-0.0000 ( 6924 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1461 -97.1461 -22.2005 -22.2005 -22.1816 -22.1816 -21.8639 -21.8639 -21.6621 -21.6621 -21.6394 -21.6394 -21.6381 -21.6381 -6.2357 -6.2356 -5.5134 -5.5131 -5.4735 -5.4735 -4.9212 -4.9157 -4.8952 -4.8908 -4.2145 -4.2136 -3.4174 -3.3934 -3.3890 -3.3827 -3.2741 -3.2736 -2.7283 -2.7256 -2.7097 -2.7042 -2.6908 -2.6905 -2.5154 -2.5143 -2.1322 -2.1246 -2.1167 -2.1131 -1.7287 -1.7272 -1.7081 -1.7034 -1.4798 -1.4792 10.1052 10.1057 10.2553 10.2562 10.2652 10.2656 13.0667 13.0667 13.5040 13.5053 k = 0.3185 0.5517-0.0000 ( 6904 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2103 -22.2103 -22.1720 -22.1720 -21.8636 -21.8636 -21.6621 -21.6621 -21.6401 -21.6401 -21.6375 -21.6374 -6.2351 -6.2349 -5.5323 -5.5319 -5.4544 -5.4543 -4.9341 -4.9281 -4.8833 -4.8785 -4.2170 -4.2153 -3.4212 -3.3999 -3.3874 -3.3783 -3.2718 -3.2709 -2.7403 -2.7361 -2.7103 -2.7049 -2.6801 -2.6792 -2.5127 -2.5107 -2.1362 -2.1295 -2.1117 -2.1066 -1.7356 -1.7327 -1.7026 -1.6985 -1.4804 -1.4792 10.0041 10.0044 10.3118 10.3126 10.3140 10.3146 13.0599 13.0600 13.4515 13.4526 k = 0.3111 0.5389-0.0000 ( 6900 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2205 -22.2205 -22.1621 -22.1621 -21.8632 -21.8632 -21.6621 -21.6621 -21.6408 -21.6408 -21.6367 -21.6367 -6.2341 -6.2338 -5.5511 -5.5506 -5.4355 -5.4353 -4.9471 -4.9406 -4.8717 -4.8667 -4.2211 -4.2186 -3.4273 -3.4077 -3.3850 -3.3739 -3.2677 -3.2664 -2.7521 -2.7467 -2.7140 -2.7084 -2.6672 -2.6657 -2.5075 -2.5048 -2.1403 -2.1340 -2.1058 -2.0998 -1.7436 -1.7398 -1.6967 -1.6927 -1.4812 -1.4795 9.9024 9.9027 10.3610 10.3616 10.3732 10.3741 13.0489 13.0491 13.3956 13.3965 k = 0.3037 0.5260-0.0000 ( 6900 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2309 -22.2309 -22.1521 -22.1521 -21.8626 -21.8626 -21.6621 -21.6621 -21.6414 -21.6414 -21.6360 -21.6360 -6.2326 -6.2323 -5.5696 -5.5689 -5.4168 -5.4164 -4.9601 -4.9530 -4.8606 -4.8555 -4.2267 -4.2234 -3.4352 -3.4166 -3.3822 -3.3697 -3.2614 -3.2599 -2.7631 -2.7565 -2.7200 -2.7144 -2.6533 -2.6511 -2.4998 -2.4966 -2.1441 -2.1379 -2.0995 -2.0930 -1.7522 -1.7477 -1.6909 -1.6869 -1.4823 -1.4800 9.8005 9.8008 10.4110 10.4116 10.4344 10.4353 13.0337 13.0340 13.3372 13.3380 k = 0.2963 0.5132-0.0000 ( 6908 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2417 -22.2417 -22.1419 -22.1418 -21.8620 -21.8620 -21.6621 -21.6621 -21.6421 -21.6421 -21.6352 -21.6352 -6.2306 -6.2302 -5.5877 -5.5869 -5.3984 -5.3979 -4.9730 -4.9654 -4.8503 -4.8449 -4.2339 -4.2299 -3.4446 -3.4266 -3.3793 -3.3658 -3.2529 -3.2513 -2.7731 -2.7654 -2.7281 -2.7226 -2.6386 -2.6358 -2.4899 -2.4863 -2.1476 -2.1414 -2.0931 -2.0860 -1.7614 -1.7562 -1.6853 -1.6811 -1.4836 -1.4808 9.6987 9.6989 10.4621 10.4628 10.4969 10.4979 13.0146 13.0149 13.2772 13.2779 k = 0.2889 0.5004-0.0000 ( 6908 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2527 -22.2526 -22.1315 -22.1315 -21.8612 -21.8612 -21.6621 -21.6621 -21.6427 -21.6427 -21.6344 -21.6344 -6.2283 -6.2278 -5.6055 -5.6045 -5.3802 -5.3796 -4.9857 -4.9775 -4.8408 -4.8352 -4.2427 -4.2381 -3.4552 -3.4374 -3.3766 -3.3623 -3.2422 -3.2405 -2.7819 -2.7732 -2.7378 -2.7324 -2.6234 -2.6200 -2.4781 -2.4742 -2.1505 -2.1444 -2.0866 -2.0791 -1.7710 -1.7652 -1.6798 -1.6754 -1.4852 -1.4819 9.5969 9.5971 10.5142 10.5149 10.5607 10.5618 12.9917 12.9921 13.2159 13.2165 k = 0.2815 0.4875-0.0000 ( 6910 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2638 -22.2638 -22.1210 -22.1210 -21.8604 -21.8604 -21.6621 -21.6621 -21.6433 -21.6433 -21.6336 -21.6336 -6.2255 -6.2249 -5.6229 -5.6218 -5.3624 -5.3617 -4.9982 -4.9895 -4.8321 -4.8264 -4.2533 -4.2480 -3.4665 -3.4489 -3.3741 -3.3592 -3.2292 -3.2273 -2.7897 -2.7799 -2.7487 -2.7436 -2.6078 -2.6038 -2.4647 -2.4606 -2.1530 -2.1470 -2.0801 -2.0723 -1.7810 -1.7748 -1.6746 -1.6700 -1.4870 -1.4832 9.4954 9.4956 10.5671 10.5679 10.6257 10.6268 12.9653 12.9658 13.1540 13.1545 k = 0.2741 0.4747-0.0000 ( 6900 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2751 -22.2751 -22.1104 -22.1104 -21.8595 -21.8595 -21.6621 -21.6621 -21.6438 -21.6438 -21.6328 -21.6328 -6.2223 -6.2216 -5.6400 -5.6388 -5.3448 -5.3440 -5.0103 -5.0012 -4.8245 -4.8186 -4.2654 -4.2596 -3.4785 -3.4609 -3.3719 -3.3566 -3.2139 -3.2120 -2.7966 -2.7857 -2.7603 -2.7555 -2.5917 -2.5872 -2.4501 -2.4457 -2.1550 -2.1491 -2.0738 -2.0655 -1.7914 -1.7847 -1.6697 -1.6648 -1.4890 -1.4847 9.3942 9.3944 10.6209 10.6217 10.6917 10.6928 12.9358 12.9364 13.0917 13.0921 k = 0.2667 0.4619-0.0000 ( 6888 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2866 -22.2866 -22.0997 -22.0997 -21.8586 -21.8586 -21.6621 -21.6621 -21.6443 -21.6443 -21.6319 -21.6319 -6.2186 -6.2179 -5.6567 -5.6554 -5.3276 -5.3266 -5.0222 -5.0125 -4.8180 -4.8119 -4.2792 -4.2729 -3.4909 -3.4731 -3.3699 -3.3544 -3.1966 -3.1945 -2.8025 -2.7908 -2.7724 -2.7678 -2.5752 -2.5703 -2.4345 -2.4299 -2.1565 -2.1507 -2.0675 -2.0589 -1.8022 -1.7951 -1.6649 -1.6598 -1.4913 -1.4866 9.2935 9.2937 10.6753 10.6762 10.7585 10.7597 12.9035 12.9042 13.0294 13.0297 k = 0.2593 0.4491-0.0000 ( 6882 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2981 -22.2981 -22.0890 -22.0890 -21.8577 -21.8577 -21.6620 -21.6620 -21.6447 -21.6447 -21.6311 -21.6311 -6.2146 -6.2138 -5.6731 -5.6717 -5.3106 -5.3096 -5.0336 -5.0236 -4.8126 -4.8063 -4.2947 -4.2879 -3.5033 -3.4853 -3.3682 -3.3525 -3.1776 -3.1753 -2.8077 -2.7953 -2.7845 -2.7798 -2.5585 -2.5532 -2.4183 -2.4134 -2.1576 -2.1519 -2.0614 -2.0525 -1.8134 -1.8058 -1.6604 -1.6550 -1.4938 -1.4887 9.1935 9.1936 10.7302 10.7312 10.8260 10.8272 12.8687 12.8694 12.9673 12.9675 k = 0.2519 0.4362-0.0000 ( 6890 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3097 -22.3097 -22.0783 -22.0783 -21.8568 -21.8568 -21.6619 -21.6619 -21.6450 -21.6450 -21.6302 -21.6302 -6.2102 -6.2093 -5.6891 -5.6877 -5.2940 -5.2928 -5.0447 -5.0342 -4.8083 -4.8019 -4.3116 -4.3044 -3.5155 -3.4974 -3.3667 -3.3509 -3.1572 -3.1546 -2.8125 -2.8002 -2.7959 -2.7905 -2.5415 -2.5359 -2.4017 -2.3964 -2.1582 -2.1527 -2.0555 -2.0462 -1.8248 -1.8169 -1.6562 -1.6505 -1.4966 -1.4912 9.0941 9.0942 10.7856 10.7867 10.8940 10.8953 12.8319 12.8327 12.9056 12.9058 k = 0.2444 0.4234-0.0000 ( 6888 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3214 -22.3214 -22.0676 -22.0676 -21.8559 -21.8559 -21.6618 -21.6618 -21.6452 -21.6452 -21.6294 -21.6294 -6.2053 -6.2043 -5.7049 -5.7034 -5.2776 -5.2764 -5.0553 -5.0444 -4.8052 -4.7987 -4.3301 -4.3225 -3.5274 -3.5090 -3.3653 -3.3495 -3.1359 -3.1331 -2.8172 -2.8072 -2.8059 -2.7977 -2.5243 -2.5184 -2.3848 -2.3792 -2.1584 -2.1531 -2.0497 -2.0400 -1.8366 -1.8284 -1.6521 -1.6462 -1.4997 -1.4938 8.9955 8.9956 10.8413 10.8425 10.9623 10.9636 12.7934 12.7942 12.8445 12.8447 k = 0.2370 0.4106-0.0000 ( 6896 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3330 -22.3330 -22.0569 -22.0569 -21.8551 -21.8551 -21.6616 -21.6616 -21.6453 -21.6453 -21.6285 -21.6285 -6.2001 -6.1991 -5.7203 -5.7188 -5.2616 -5.2603 -5.0655 -5.0543 -4.8032 -4.7965 -4.3500 -4.3421 -3.5388 -3.5201 -3.3640 -3.3483 -3.1146 -3.1115 -2.8225 -2.8151 -2.8133 -2.8018 -2.5069 -2.5009 -2.3678 -2.3617 -2.1582 -2.1531 -2.0441 -2.0340 -1.8486 -1.8401 -1.6483 -1.6422 -1.5030 -1.4968 8.8979 8.8980 10.8972 10.8984 11.0307 11.0320 12.7537 12.7545 12.7843 12.7844 k = 0.2296 0.3977-0.0000 ( 6894 PWs) bands (ev): -97.1465 -97.1465 -97.1463 -97.1463 -97.1461 -97.1461 -22.3446 -22.3446 -22.0463 -22.0462 -21.8544 -21.8544 -21.6613 -21.6613 -21.6453 -21.6453 -21.6277 -21.6277 -6.1946 -6.1934 -5.7354 -5.7338 -5.2459 -5.2446 -5.0752 -5.0636 -4.8023 -4.7955 -4.3711 -4.3629 -3.5494 -3.5304 -3.3627 -3.3472 -3.0943 -3.0909 -2.8276 -2.8213 -2.8178 -2.8049 -2.4894 -2.4833 -2.3508 -2.3443 -2.1576 -2.1527 -2.0386 -2.0281 -1.8607 -1.8520 -1.6448 -1.6384 -1.5065 -1.5001 8.8014 8.8015 10.9532 10.9545 11.0988 11.1002 12.7131 12.7140 12.7250 12.7251 k = 0.2222 0.3849-0.0000 ( 6890 PWs) bands (ev): -97.1465 -97.1465 -97.1463 -97.1463 -97.1461 -97.1461 -22.3561 -22.3561 -22.0357 -22.0357 -21.8537 -21.8537 -21.6611 -21.6611 -21.6452 -21.6452 -21.6268 -21.6268 -6.1887 -6.1874 -5.7502 -5.7486 -5.2305 -5.2291 -5.0844 -5.0725 -4.8025 -4.7956 -4.3934 -4.3850 -3.5590 -3.5399 -3.3614 -3.3462 -3.0763 -3.0726 -2.8310 -2.8238 -2.8200 -2.8075 -2.4719 -2.4656 -2.3341 -2.3270 -2.1566 -2.1520 -2.0332 -2.0222 -1.8730 -1.8640 -1.6415 -1.6348 -1.5103 -1.5036 8.7060 8.7061 11.0091 11.0105 11.1664 11.1678 12.6668 12.6669 12.6722 12.6730 k = 0.2148 0.3721-0.0000 ( 6894 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.3675 -22.3675 -22.0253 -22.0253 -21.8532 -21.8532 -21.6607 -21.6607 -21.6450 -21.6450 -21.6260 -21.6260 -6.1824 -6.1811 -5.7647 -5.7630 -5.2154 -5.2140 -5.0932 -5.0809 -4.8036 -4.7967 -4.4168 -4.4081 -3.5677 -3.5483 -3.3602 -3.3452 -3.0622 -3.0582 -2.8326 -2.8217 -2.8186 -2.8096 -2.4543 -2.4481 -2.3176 -2.3100 -2.1553 -2.1509 -2.0279 -2.0164 -1.8854 -1.8762 -1.6384 -1.6316 -1.5143 -1.5074 8.6120 8.6121 11.0648 11.0662 11.2331 11.2345 12.6099 12.6100 12.6311 12.6320 k = 0.2074 0.3592-0.0000 ( 6886 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.3788 -22.3788 -22.0150 -22.0150 -21.8527 -21.8527 -21.6603 -21.6603 -21.6446 -21.6446 -21.6252 -21.6252 -6.1759 -6.1745 -5.7789 -5.7772 -5.2006 -5.1993 -5.1014 -5.0888 -4.8057 -4.7987 -4.4410 -4.4322 -3.5752 -3.5556 -3.3589 -3.3443 -3.0531 -3.0490 -2.8348 -2.8180 -2.8102 -2.8070 -2.4367 -2.4306 -2.3016 -2.2934 -2.1536 -2.1496 -2.0226 -2.0106 -1.8978 -1.8885 -1.6356 -1.6286 -1.5185 -1.5115 8.5195 8.5195 11.1200 11.1215 11.2984 11.2999 12.5544 12.5545 12.5904 12.5913 k = 0.2000 0.3464-0.0000 ( 6874 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.3899 -22.3899 -22.0049 -22.0049 -21.8523 -21.8523 -21.6598 -21.6598 -21.6442 -21.6441 -21.6244 -21.6244 -6.1691 -6.1677 -5.7928 -5.7911 -5.1862 -5.1849 -5.1091 -5.0962 -4.8087 -4.8016 -4.4660 -4.4570 -3.5815 -3.5617 -3.3577 -3.3434 -3.0495 -3.0454 -2.8380 -2.8196 -2.7941 -2.7927 -2.4192 -2.4132 -2.2861 -2.2772 -2.1516 -2.1480 -2.0173 -2.0047 -1.9101 -1.9007 -1.6330 -1.6259 -1.5230 -1.5158 8.4285 8.4285 11.1747 11.1763 11.3620 11.3636 12.5004 12.5005 12.5505 12.5514 k = 0.1926 0.3336-0.0000 ( 6874 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4009 -22.4009 -21.9950 -21.9949 -21.8520 -21.8520 -21.6593 -21.6593 -21.6436 -21.6436 -21.6237 -21.6237 -6.1621 -6.1606 -5.8064 -5.8047 -5.1722 -5.1710 -5.1163 -5.1030 -4.8124 -4.8053 -4.4916 -4.4824 -3.5865 -3.5665 -3.3564 -3.3426 -3.0509 -3.0469 -2.8421 -2.8233 -2.7715 -2.7706 -2.4018 -2.3961 -2.2712 -2.2617 -2.1493 -2.1462 -2.0120 -1.9988 -1.9223 -1.9128 -1.6307 -1.6235 -1.5276 -1.5204 8.3392 8.3392 11.2287 11.2304 11.4233 11.4248 12.4480 12.4481 12.5119 12.5127 k = 0.1852 0.3208-0.0000 ( 6876 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4117 -22.4117 -21.9853 -21.9852 -21.8519 -21.8519 -21.6586 -21.6586 -21.6429 -21.6429 -21.6229 -21.6229 -6.1548 -6.1532 -5.8197 -5.8180 -5.1586 -5.1577 -5.1229 -5.1092 -4.8168 -4.8098 -4.5176 -4.5083 -3.5902 -3.5700 -3.3551 -3.3418 -3.0562 -3.0522 -2.8469 -2.8278 -2.7437 -2.7434 -2.3846 -2.3791 -2.2569 -2.2468 -2.1468 -2.1442 -2.0066 -1.9926 -1.9342 -1.9247 -1.6287 -1.6213 -1.5325 -1.5252 8.2517 8.2517 11.2817 11.2835 11.4815 11.4830 12.3974 12.3976 12.4748 12.4756 k = 0.1778 0.3079-0.0000 ( 6856 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4222 -22.4222 -21.9758 -21.9758 -21.8518 -21.8518 -21.6579 -21.6579 -21.6421 -21.6421 -21.6222 -21.6222 -6.1473 -6.1457 -5.8327 -5.8309 -5.1457 -5.1453 -5.1286 -5.1142 -4.8219 -4.8148 -4.5438 -4.5345 -3.5926 -3.5722 -3.3538 -3.3410 -3.0642 -3.0603 -2.8524 -2.8332 -2.7124 -2.7123 -2.3676 -2.3625 -2.2434 -2.2327 -2.1440 -2.1420 -2.0011 -1.9863 -1.9456 -1.9364 -1.6270 -1.6195 -1.5375 -1.5302 8.1662 8.1662 11.3336 11.3354 11.5360 11.5375 12.3487 12.3490 12.4398 12.4405 k = 0.1704 0.2951-0.0000 ( 6852 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4325 -22.4325 -21.9666 -21.9666 -21.8518 -21.8518 -21.6571 -21.6571 -21.6412 -21.6412 -21.6216 -21.6216 -6.1397 -6.1380 -5.8454 -5.8436 -5.1379 -5.1356 -5.1291 -5.1166 -4.8274 -4.8205 -4.5702 -4.5608 -3.5936 -3.5731 -3.3525 -3.3403 -3.0740 -3.0702 -2.8587 -2.8394 -2.6788 -2.6783 -2.3508 -2.3462 -2.2307 -2.2195 -2.1410 -2.1397 -1.9958 -1.9798 -1.9564 -1.9477 -1.6255 -1.6180 -1.5427 -1.5354 8.0828 8.0828 11.3840 11.3860 11.5859 11.5874 12.3022 12.3025 12.4072 12.4078 k = 0.1630 0.2823-0.0000 ( 6864 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4425 -22.4425 -21.9578 -21.9577 -21.8520 -21.8520 -21.6562 -21.6562 -21.6403 -21.6403 -21.6209 -21.6209 -6.1320 -6.1303 -5.8578 -5.8560 -5.1414 -5.1328 -5.1183 -5.1119 -4.8335 -4.8267 -4.5966 -4.5871 -3.5932 -3.5727 -3.3513 -3.3397 -3.0850 -3.0811 -2.8659 -2.8464 -2.6435 -2.6426 -2.3344 -2.3302 -2.2188 -2.2071 -2.1378 -2.1373 -1.9915 -1.9733 -1.9655 -1.9584 -1.6244 -1.6169 -1.5481 -1.5408 8.0016 8.0016 11.4328 11.4348 11.6304 11.6318 12.2579 12.2583 12.3776 12.3780 k = 0.1556 0.2694-0.0000 ( 6862 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4522 -22.4522 -21.9492 -21.9492 -21.8522 -21.8522 -21.6552 -21.6552 -21.6392 -21.6392 -21.6203 -21.6203 -6.1241 -6.1224 -5.8698 -5.8681 -5.1459 -5.1353 -5.1063 -5.1019 -4.8399 -4.8332 -4.6228 -4.6132 -3.5914 -3.5709 -3.3502 -3.3393 -3.0966 -3.0926 -2.8739 -2.8544 -2.6072 -2.6060 -2.3183 -2.3147 -2.2078 -2.1957 -2.1348 -2.1345 -1.9908 -1.9710 -1.9701 -1.9643 -1.6235 -1.6161 -1.5535 -1.5464 7.9227 7.9227 11.4794 11.4815 11.6687 11.6700 12.2162 12.2166 12.3511 12.3515 k = 0.1481 0.2566-0.0000 ( 6862 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4616 -22.4616 -21.9410 -21.9410 -21.8525 -21.8525 -21.6541 -21.6541 -21.6381 -21.6381 -21.6198 -21.6198 -6.1162 -6.1144 -5.8815 -5.8798 -5.1501 -5.1388 -5.0946 -5.0908 -4.8466 -4.8401 -4.6487 -4.6391 -3.5884 -3.5677 -3.3492 -3.3389 -3.1084 -3.1044 -2.8828 -2.8633 -2.5704 -2.5688 -2.3026 -2.2996 -2.1975 -2.1851 -2.1323 -2.1310 -1.9961 -1.9799 -1.9679 -1.9580 -1.6229 -1.6157 -1.5591 -1.5520 7.8463 7.8464 11.5237 11.5258 11.7001 11.7013 12.1774 12.1778 12.3282 12.3283 k = 0.1407 0.2438-0.0000 ( 6858 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4706 -22.4706 -21.9331 -21.9331 -21.8528 -21.8528 -21.6530 -21.6530 -21.6369 -21.6369 -21.6193 -21.6193 -6.1083 -6.1065 -5.8928 -5.8912 -5.1539 -5.1423 -5.0832 -5.0797 -4.8536 -4.8472 -4.6742 -4.6645 -3.5839 -3.5633 -3.3483 -3.3388 -3.1202 -3.1161 -2.8927 -2.8732 -2.5335 -2.5316 -2.2873 -2.2851 -2.1881 -2.1755 -2.1298 -2.1275 -2.0041 -1.9892 -1.9621 -1.9505 -1.6227 -1.6156 -1.5647 -1.5578 7.7726 7.7726 11.5649 11.5671 11.7242 11.7251 12.1419 12.1423 12.3087 12.3087 k = 0.1333 0.2309-0.0000 ( 6866 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4793 -22.4793 -21.9256 -21.9256 -21.8533 -21.8533 -21.6517 -21.6517 -21.6357 -21.6357 -21.6188 -21.6188 -6.1003 -6.0986 -5.9038 -5.9022 -5.1572 -5.1455 -5.0723 -5.0689 -4.8607 -4.8546 -4.6992 -4.6894 -3.5782 -3.5576 -3.3476 -3.3389 -3.1317 -3.1275 -2.9035 -2.8840 -2.4969 -2.4948 -2.2725 -2.2711 -2.1795 -2.1668 -2.1273 -2.1238 -2.0125 -1.9979 -1.9549 -1.9428 -1.6227 -1.6159 -1.5703 -1.5637 7.7016 7.7016 11.6026 11.6048 11.7407 11.7416 12.1102 12.1106 12.2922 12.2924 k = 0.1259 0.2181-0.0000 ( 6854 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4877 -22.4877 -21.9185 -21.9185 -21.8538 -21.8538 -21.6504 -21.6504 -21.6345 -21.6345 -21.6184 -21.6184 -6.0925 -6.0907 -5.9143 -5.9128 -5.1601 -5.1484 -5.0617 -5.0584 -4.8679 -4.8620 -4.7235 -4.7137 -3.5712 -3.5507 -3.3472 -3.3391 -3.1428 -3.1385 -2.9153 -2.8959 -2.4610 -2.4585 -2.2582 -2.2577 -2.1715 -2.1589 -2.1249 -2.1201 -2.0205 -2.0059 -1.9472 -1.9348 -1.6231 -1.6165 -1.5758 -1.5696 7.6335 7.6335 11.6359 11.6381 11.7503 11.7509 12.0830 12.0834 12.2785 12.2788 k = 0.1185 0.2053-0.0000 ( 6862 PWs) bands (ev): -97.1465 -97.1465 -97.1462 -97.1462 -97.1461 -97.1461 -22.4956 -22.4956 -21.9118 -21.9118 -21.8543 -21.8543 -21.6490 -21.6490 -21.6333 -21.6333 -21.6181 -21.6181 -6.0848 -6.0830 -5.9245 -5.9230 -5.1626 -5.1509 -5.0517 -5.0484 -4.8751 -4.8695 -4.7470 -4.7372 -3.5631 -3.5426 -3.3470 -3.3397 -3.1534 -3.1490 -2.9280 -2.9087 -2.4259 -2.4232 -2.2450 -2.2445 -2.1643 -2.1517 -2.1225 -2.1163 -2.0281 -2.0132 -1.9390 -1.9267 -1.6238 -1.6175 -1.5814 -1.5754 7.5684 7.5685 11.6639 11.6661 11.7536 11.7541 12.0611 12.0615 12.2667 12.2672 k = 0.1111 0.1925-0.0000 ( 6858 PWs) bands (ev): -97.1466 -97.1466 -97.1462 -97.1462 -97.1461 -97.1461 -22.5032 -22.5032 -21.9055 -21.9055 -21.8549 -21.8549 -21.6475 -21.6475 -21.6320 -21.6320 -21.6178 -21.6178 -6.0772 -6.0754 -5.9342 -5.9328 -5.1646 -5.1531 -5.0421 -5.0388 -4.8822 -4.8770 -4.7697 -4.7599 -3.5537 -3.5334 -3.3471 -3.3405 -3.1633 -3.1588 -2.9417 -2.9225 -2.3921 -2.3891 -2.2329 -2.2314 -2.1577 -2.1453 -2.1201 -2.1124 -2.0350 -2.0198 -1.9306 -1.9185 -1.6247 -1.6189 -1.5867 -1.5812 7.5065 7.5065 11.6857 11.6877 11.7518 11.7521 12.0455 12.0458 12.2564 12.2569 k = 0.1037 0.1796-0.0000 ( 6846 PWs) bands (ev): -97.1466 -97.1466 -97.1462 -97.1462 -97.1461 -97.1461 -22.5103 -22.5103 -21.8996 -21.8996 -21.8554 -21.8554 -21.6460 -21.6460 -21.6308 -21.6308 -21.6176 -21.6176 -6.0697 -6.0680 -5.9434 -5.9421 -5.1662 -5.1549 -5.0330 -5.0296 -4.8893 -4.8844 -4.7914 -4.7817 -3.5433 -3.5230 -3.3474 -3.3417 -3.1725 -3.1679 -2.9562 -2.9371 -2.3598 -2.3565 -2.2216 -2.2189 -2.1516 -2.1394 -2.1178 -2.1085 -2.0412 -2.0255 -1.9220 -1.9102 -1.6260 -1.6206 -1.5919 -1.5869 7.4479 7.4479 11.7004 11.7022 11.7459 11.7460 12.0369 12.0370 12.2467 12.2473 k = 0.0963 0.1668-0.0000 ( 6848 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5170 -22.5170 -21.8942 -21.8942 -21.8560 -21.8560 -21.6444 -21.6444 -21.6296 -21.6296 -21.6174 -21.6174 -6.0626 -6.0609 -5.9521 -5.9509 -5.1674 -5.1563 -5.0244 -5.0210 -4.8962 -4.8916 -4.8122 -4.8025 -3.5318 -3.5117 -3.3481 -3.3431 -3.1808 -3.1762 -2.9715 -2.9526 -2.3293 -2.3257 -2.2110 -2.2072 -2.1462 -2.1340 -2.1153 -2.1046 -2.0467 -2.0305 -1.9134 -1.9021 -1.6275 -1.6227 -1.5969 -1.5925 7.3926 7.3926 11.7078 11.7095 11.7370 11.7371 12.0353 12.0353 12.2373 12.2379 k = 0.0889 0.1540-0.0000 ( 6846 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5232 -22.5232 -21.8892 -21.8892 -21.8566 -21.8566 -21.6428 -21.6428 -21.6284 -21.6284 -21.6173 -21.6173 -6.0557 -6.0541 -5.9604 -5.9592 -5.1682 -5.1575 -5.0163 -5.0128 -4.9029 -4.8987 -4.8318 -4.8222 -3.5193 -3.4995 -3.3491 -3.3448 -3.1883 -3.1837 -2.9875 -2.9688 -2.3007 -2.2969 -2.2012 -2.1962 -2.1412 -2.1290 -2.1126 -2.1007 -2.0514 -2.0347 -1.9048 -1.8941 -1.6292 -1.6251 -1.6017 -1.5979 7.3409 7.3409 11.7089 11.7103 11.7263 11.7263 12.0397 12.0399 12.2280 12.2286 k = 0.0815 0.1411-0.0000 ( 6858 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5290 -22.5290 -21.8846 -21.8845 -21.8572 -21.8572 -21.6412 -21.6412 -21.6273 -21.6273 -21.6173 -21.6173 -6.0492 -6.0476 -5.9681 -5.9670 -5.1686 -5.1583 -5.0088 -5.0052 -4.9093 -4.9055 -4.8503 -4.8408 -3.5061 -3.4865 -3.3504 -3.3467 -3.1950 -3.1905 -3.0041 -2.9856 -2.2744 -2.2704 -2.1923 -2.1861 -2.1369 -2.1243 -2.1094 -2.0969 -2.0554 -2.0383 -1.8964 -1.8864 -1.6312 -1.6277 -1.6061 -1.6030 7.2928 7.2928 11.7048 11.7059 11.7143 11.7144 12.0488 12.0492 12.2187 12.2192 k = 0.0741 0.1283-0.0000 ( 6862 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5344 -22.5344 -21.8804 -21.8804 -21.8578 -21.8578 -21.6395 -21.6395 -21.6262 -21.6262 -21.6174 -21.6174 -6.0430 -6.0415 -5.9752 -5.9742 -5.1687 -5.1588 -5.0018 -4.9981 -4.9155 -4.9121 -4.8674 -4.8581 -3.4920 -3.4728 -3.3519 -3.3489 -3.2008 -3.1964 -3.0211 -3.0030 -2.2507 -2.2465 -2.1841 -2.1769 -2.1332 -2.1197 -2.1055 -2.0930 -2.0586 -2.0412 -1.8882 -1.8789 -1.6334 -1.6306 -1.6102 -1.6077 7.2485 7.2485 11.6972 11.6982 11.7020 11.7021 12.0611 12.0616 12.2095 12.2099 k = 0.0667 0.1155-0.0000 ( 6858 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5392 -22.5392 -21.8766 -21.8766 -21.8583 -21.8583 -21.6379 -21.6379 -21.6252 -21.6252 -21.6175 -21.6175 -6.0372 -6.0359 -5.9817 -5.9809 -5.1684 -5.1591 -4.9954 -4.9916 -4.9213 -4.9183 -4.8833 -4.8741 -3.4774 -3.4586 -3.3536 -3.3511 -3.2058 -3.2016 -3.0384 -3.0207 -2.2296 -2.2255 -2.1766 -2.1688 -2.1300 -2.1153 -2.1007 -2.0891 -2.0610 -2.0436 -1.8803 -1.8718 -1.6357 -1.6336 -1.6140 -1.6122 7.2080 7.2080 11.6876 11.6883 11.6899 11.6899 12.0749 12.0755 12.2004 12.2009 k = 0.0593 0.1026-0.0000 ( 6848 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5436 -22.5436 -21.8733 -21.8733 -21.8588 -21.8588 -21.6363 -21.6363 -21.6243 -21.6243 -21.6177 -21.6177 -6.0319 -6.0307 -5.9876 -5.9869 -5.1679 -5.1592 -4.9895 -4.9856 -4.9269 -4.9242 -4.8976 -4.8886 -3.4623 -3.4440 -3.3554 -3.3534 -3.2100 -3.2061 -3.0559 -3.0387 -2.2114 -2.2076 -2.1699 -2.1620 -2.1272 -2.1112 -2.0950 -2.0852 -2.0624 -2.0455 -1.8728 -1.8652 -1.6381 -1.6366 -1.6174 -1.6162 7.1715 7.1716 11.6770 11.6774 11.6784 11.6786 12.0891 12.0897 12.1917 12.1921 k = 0.0519 0.0898-0.0000 ( 6858 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5474 -22.5474 -21.8703 -21.8703 -21.8593 -21.8593 -21.6347 -21.6347 -21.6235 -21.6235 -21.6180 -21.6180 -6.0272 -6.0261 -5.9929 -5.9923 -5.1671 -5.1592 -4.9842 -4.9801 -4.9321 -4.9297 -4.9105 -4.9017 -3.4469 -3.4294 -3.3572 -3.3557 -3.2135 -3.2099 -3.0731 -3.0566 -2.1961 -2.1929 -2.1640 -2.1564 -2.1246 -2.1074 -2.0885 -2.0812 -2.0630 -2.0471 -1.8659 -1.8591 -1.6406 -1.6395 -1.6205 -1.6198 7.1391 7.1391 11.6664 11.6665 11.6677 11.6680 12.1028 12.1035 12.1836 12.1840 k = 0.0444 0.0770-0.0000 ( 6870 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5508 -22.5508 -21.8678 -21.8678 -21.8597 -21.8597 -21.6332 -21.6332 -21.6228 -21.6228 -21.6184 -21.6184 -6.0229 -6.0220 -5.9976 -5.9970 -5.1661 -5.1590 -4.9793 -4.9752 -4.9371 -4.9350 -4.9216 -4.9130 -3.4316 -3.4149 -3.3590 -3.3579 -3.2163 -3.2131 -3.0898 -3.0742 -2.1836 -2.1813 -2.1589 -2.1522 -2.1220 -2.1043 -2.0816 -2.0770 -2.0625 -2.0484 -1.8595 -1.8536 -1.6429 -1.6423 -1.6233 -1.6229 7.1108 7.1108 11.6566 11.6566 11.6579 11.6581 12.1155 12.1162 12.1762 12.1765 k = 0.0370 0.0642-0.0000 ( 6864 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5537 -22.5537 -21.8657 -21.8657 -21.8601 -21.8601 -21.6318 -21.6318 -21.6221 -21.6221 -21.6188 -21.6188 -6.0192 -6.0184 -6.0015 -6.0010 -5.1650 -5.1589 -4.9750 -4.9709 -4.9420 -4.9400 -4.9308 -4.9226 -3.4165 -3.4011 -3.3606 -3.3600 -3.2185 -3.2158 -3.1056 -3.0911 -2.1735 -2.1724 -2.1546 -2.1493 -2.1192 -2.1023 -2.0747 -2.0727 -2.0612 -2.0496 -1.8538 -1.8489 -1.6451 -1.6448 -1.6257 -1.6256 7.0868 7.0868 11.6479 11.6480 11.6491 11.6493 12.1268 12.1273 12.1697 12.1700 k = 0.0296 0.0513-0.0000 ( 6868 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5560 -22.5560 -21.8640 -21.8640 -21.8604 -21.8604 -21.6305 -21.6305 -21.6216 -21.6216 -21.6193 -21.6193 -6.0162 -6.0155 -6.0047 -6.0043 -5.1638 -5.1587 -4.9711 -4.9672 -4.9467 -4.9449 -4.9378 -4.9302 -3.4023 -3.3885 -3.3620 -3.3618 -3.2202 -3.2180 -3.1198 -3.1070 -2.1658 -2.1657 -2.1513 -2.1476 -2.1163 -2.1013 -2.0686 -2.0683 -2.0592 -2.0506 -1.8489 -1.8449 -1.6471 -1.6469 -1.6278 -1.6278 7.0670 7.0670 11.6406 11.6407 11.6417 11.6418 12.1363 12.1367 12.1642 12.1644 k = 0.0222 0.0385-0.0000 ( 6862 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5578 -22.5578 -21.8626 -21.8626 -21.8606 -21.8606 -21.6293 -21.6293 -21.6212 -21.6212 -21.6198 -21.6198 -6.0138 -6.0132 -6.0073 -6.0070 -5.1627 -5.1587 -4.9676 -4.9641 -4.9511 -4.9495 -4.9427 -4.9362 -3.3895 -3.3778 -3.3633 -3.3631 -3.2214 -3.2197 -3.1317 -3.1211 -2.1607 -2.1599 -2.1489 -2.1468 -2.1133 -2.1013 -2.0650 -2.0629 -2.0568 -2.0517 -1.8449 -1.8419 -1.6487 -1.6486 -1.6295 -1.6294 7.0515 7.0515 11.6348 11.6349 11.6358 11.6359 12.1438 12.1441 12.1599 12.1601 k = 0.0148 0.0257-0.0000 ( 6862 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5591 -22.5591 -21.8617 -21.8617 -21.8608 -21.8608 -21.6284 -21.6284 -21.6209 -21.6209 -21.6202 -21.6202 -6.0120 -6.0116 -6.0091 -6.0089 -5.1616 -5.1589 -4.9644 -4.9619 -4.9548 -4.9533 -4.9458 -4.9406 -3.3788 -3.3698 -3.3645 -3.3638 -3.2222 -3.2210 -3.1405 -3.1328 -2.1570 -2.1559 -2.1475 -2.1466 -2.1104 -2.1021 -2.0620 -2.0590 -2.0546 -2.0525 -1.8418 -1.8398 -1.6499 -1.6499 -1.6307 -1.6306 7.0405 7.0405 11.6306 11.6307 11.6315 11.6316 12.1492 12.1493 12.1569 12.1570 k = 0.0074 0.0128-0.0000 ( 6854 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5599 -22.5599 -21.8611 -21.8611 -21.8609 -21.8609 -21.6278 -21.6278 -21.6207 -21.6207 -21.6205 -21.6205 -6.0109 -6.0107 -6.0101 -6.0100 -5.1606 -5.1592 -4.9616 -4.9605 -4.9575 -4.9561 -4.9469 -4.9439 -3.3713 -3.3662 -3.3646 -3.3639 -3.2225 -3.2220 -3.1453 -3.1412 -2.1545 -2.1536 -2.1468 -2.1467 -2.1077 -2.1035 -2.0597 -2.0574 -2.0530 -2.0528 -1.8397 -1.8387 -1.6506 -1.6506 -1.6314 -1.6314 7.0338 7.0338 11.6280 11.6281 11.6289 11.6289 12.1520 12.1520 12.1555 12.1557 k = 0.0000 0.0000 0.0000 ( 6855 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5602 -22.5602 -21.8609 -21.8609 -21.8609 -21.8609 -21.6276 -21.6276 -21.6207 -21.6207 -21.6207 -21.6207 -6.0105 -6.0105 -6.0104 -6.0104 -5.1598 -5.1598 -4.9598 -4.9598 -4.9583 -4.9583 -4.9462 -4.9462 -3.3675 -3.3675 -3.3636 -3.3636 -3.2225 -3.2225 -3.1455 -3.1455 -2.1532 -2.1532 -2.1467 -2.1467 -2.1054 -2.1054 -2.0580 -2.0580 -2.0525 -2.0525 -1.8387 -1.8387 -1.6509 -1.6509 -1.6317 -1.6317 7.0316 7.0316 11.6272 11.6272 11.6281 11.6281 12.1524 12.1524 12.1556 12.1556 k = 0.0000 0.0000 0.0000 ( 6855 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5602 -22.5602 -21.8609 -21.8609 -21.8609 -21.8609 -21.6276 -21.6276 -21.6207 -21.6207 -21.6207 -21.6207 -6.0105 -6.0105 -6.0104 -6.0104 -5.1598 -5.1598 -4.9598 -4.9598 -4.9583 -4.9583 -4.9462 -4.9462 -3.3675 -3.3675 -3.3636 -3.3636 -3.2225 -3.2225 -3.1455 -3.1455 -2.1532 -2.1532 -2.1467 -2.1467 -2.1054 -2.1054 -2.0580 -2.0580 -2.0525 -2.0525 -1.8387 -1.8387 -1.6509 -1.6509 -1.6317 -1.6317 7.0316 7.0316 11.6272 11.6272 11.6281 11.6281 12.1524 12.1524 12.1556 12.1556 k = 0.0000 0.0000 0.0147 ( 6855 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5599 -22.5599 -21.8743 -21.8742 -21.8478 -21.8478 -21.6276 -21.6276 -21.6214 -21.6213 -21.6200 -21.6200 -6.0359 -6.0358 -5.9847 -5.9847 -5.1602 -5.1600 -4.9806 -4.9675 -4.9587 -4.9577 -4.9385 -4.9254 -3.3775 -3.3735 -3.3567 -3.3530 -3.2228 -3.2216 -3.1455 -3.1431 -2.1579 -2.1551 -2.1509 -2.1405 -2.1116 -2.1005 -2.0605 -2.0565 -2.0560 -2.0492 -1.8386 -1.8381 -1.6568 -1.6442 -1.6378 -1.6248 7.0338 7.0338 11.5581 11.5590 11.6916 11.6924 12.1430 12.1462 12.1670 12.1701 k = 0.0000 0.0000 0.0295 ( 6855 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5591 -22.5591 -21.8879 -21.8879 -21.8351 -21.8350 -21.6276 -21.6276 -21.6220 -21.6220 -21.6193 -21.6193 -6.0609 -6.0608 -5.9587 -5.9587 -5.1614 -5.1610 -5.0008 -4.9872 -4.9603 -4.9593 -4.9167 -4.9039 -3.3868 -3.3826 -3.3454 -3.3418 -3.2226 -3.2204 -3.1429 -3.1381 -2.1656 -2.1653 -2.1506 -2.1367 -2.1185 -2.0977 -2.0642 -2.0597 -2.0554 -2.0460 -1.8380 -1.8370 -1.6616 -1.6430 -1.6368 -1.6173 7.0405 7.0405 11.4850 11.4860 11.7505 11.7512 12.1381 12.1414 12.1875 12.1903 k = 0.0000 0.0000 0.0442 ( 6849 PWs) bands (ev): -97.1466 -97.1466 -97.1461 -97.1461 -97.1461 -97.1461 -22.5577 -22.5577 -21.9018 -21.9017 -21.8226 -21.8226 -21.6276 -21.6276 -21.6227 -21.6227 -21.6186 -21.6186 -6.0856 -6.0854 -5.9325 -5.9324 -5.1632 -5.1626 -5.0205 -5.0066 -4.9629 -4.9616 -4.8946 -4.8820 -3.3951 -3.3909 -3.3337 -3.3302 -3.2217 -3.2186 -3.1378 -3.1309 -2.1780 -2.1752 -2.1522 -2.1352 -2.1256 -2.0979 -2.0694 -2.0636 -2.0543 -2.0430 -1.8367 -1.8353 -1.6653 -1.6471 -1.6289 -1.6093 7.0517 7.0517 11.4087 11.4096 11.8032 11.8037 12.1372 12.1405 12.2144 12.2170 k = 0.0000 0.0000 0.0589 ( 6861 PWs) bands (ev): -97.1466 -97.1466 -97.1462 -97.1462 -97.1461 -97.1461 -22.5559 -22.5559 -21.9159 -21.9159 -21.8105 -21.8104 -21.6276 -21.6276 -21.6233 -21.6233 -21.6179 -21.6179 -6.1097 -6.1096 -5.9062 -5.9060 -5.1657 -5.1649 -5.0396 -5.0254 -4.9664 -4.9648 -4.8720 -4.8597 -3.4025 -3.3981 -3.3217 -3.3182 -3.2201 -3.2164 -3.1303 -3.1215 -2.1920 -2.1875 -2.1554 -2.1358 -2.1333 -2.1015 -2.0760 -2.0679 -2.0528 -2.0403 -1.8349 -1.8329 -1.6678 -1.6500 -1.6208 -1.6012 7.0672 7.0672 11.3295 11.3303 11.8493 11.8495 12.1400 12.1432 12.2481 12.2504 k = 0.0000 0.0000 0.0737 ( 6873 PWs) bands (ev): -97.1466 -97.1466 -97.1462 -97.1462 -97.1461 -97.1461 -22.5534 -22.5534 -21.9302 -21.9302 -21.7987 -21.7986 -21.6277 -21.6277 -21.6239 -21.6239 -21.6171 -21.6171 -6.1334 -6.1332 -5.8798 -5.8796 -5.1689 -5.1679 -5.0581 -5.0436 -4.9708 -4.9688 -4.8491 -4.8371 -3.4087 -3.4043 -3.3094 -3.3061 -3.2178 -3.2136 -3.1205 -3.1100 -2.2075 -2.2018 -2.1603 -2.1417 -2.1385 -2.1081 -2.0838 -2.0727 -2.0512 -2.0381 -1.8325 -1.8300 -1.6690 -1.6517 -1.6126 -1.5930 7.0871 7.0871 11.2479 11.2487 11.8888 11.8889 12.1460 12.1492 12.2882 12.2901 k = 0.0000 0.0000 0.0884 ( 6867 PWs) bands (ev): -97.1466 -97.1466 -97.1462 -97.1462 -97.1461 -97.1461 -22.5505 -22.5505 -21.9448 -21.9447 -21.7872 -21.7872 -21.6277 -21.6277 -21.6245 -21.6245 -21.6164 -21.6164 -6.1565 -6.1562 -5.8533 -5.8530 -5.1727 -5.1715 -5.0759 -5.0612 -4.9760 -4.9738 -4.8258 -4.8141 -3.4138 -3.4092 -3.2971 -3.2939 -3.2147 -3.2101 -3.1087 -3.0966 -2.2242 -2.2178 -2.1667 -2.1513 -2.1430 -2.1172 -2.0926 -2.0780 -2.0500 -2.0364 -1.8296 -1.8265 -1.6688 -1.6521 -1.6044 -1.5849 7.1114 7.1114 11.1642 11.1650 11.9222 11.9227 12.1551 12.1582 12.3339 12.3355 k = 0.0000 0.0000 0.1031 ( 6849 PWs) bands (ev): -97.1466 -97.1466 -97.1462 -97.1462 -97.1461 -97.1461 -22.5470 -22.5470 -21.9595 -21.9595 -21.7761 -21.7761 -21.6278 -21.6278 -21.6250 -21.6250 -21.6157 -21.6157 -6.1789 -6.1787 -5.8269 -5.8265 -5.1771 -5.1757 -5.0931 -5.0781 -4.9820 -4.9795 -4.8023 -4.7909 -3.4175 -3.4129 -3.2849 -3.2818 -3.2108 -3.2059 -3.0949 -3.0813 -2.2419 -2.2350 -2.1747 -2.1625 -2.1489 -2.1283 -2.1022 -2.0838 -2.0492 -2.0354 -1.8260 -1.8224 -1.6674 -1.6513 -1.5965 -1.5770 7.1399 7.1399 11.0787 11.0793 11.9510 11.9517 12.1672 12.1702 12.3841 12.3854 k = 0.0000 0.0000 0.1179 ( 6861 PWs) bands (ev): -97.1466 -97.1466 -97.1462 -97.1462 -97.1461 -97.1461 -22.5430 -22.5430 -21.9744 -21.9744 -21.7654 -21.7653 -21.6279 -21.6279 -21.6256 -21.6256 -21.6150 -21.6150 -6.2007 -6.2005 -5.8005 -5.8001 -5.1821 -5.1804 -5.1096 -5.0943 -4.9887 -4.9860 -4.7786 -4.7675 -3.4199 -3.4152 -3.2729 -3.2698 -3.2060 -3.2010 -3.0793 -3.0644 -2.2606 -2.2533 -2.1848 -2.1756 -2.1561 -2.1406 -2.1123 -2.0902 -2.0492 -2.0352 -1.8220 -1.8178 -1.6649 -1.6494 -1.5889 -1.5695 7.1725 7.1725 10.9915 10.9921 11.9762 11.9771 12.1821 12.1851 12.4374 12.4384 k = 0.0000 0.0000 0.1326 ( 6855 PWs) bands (ev): -97.1466 -97.1466 -97.1462 -97.1462 -97.1460 -97.1460 -22.5384 -22.5384 -21.9895 -21.9894 -21.7550 -21.7550 -21.6280 -21.6280 -21.6261 -21.6261 -21.6142 -21.6142 -6.2219 -6.2216 -5.7743 -5.7738 -5.1875 -5.1857 -5.1254 -5.1098 -4.9961 -4.9931 -4.7547 -4.7439 -3.4209 -3.4161 -3.2612 -3.2582 -3.2005 -3.1954 -3.0621 -3.0460 -2.2801 -2.2726 -2.1970 -2.1909 -2.1643 -2.1535 -2.1226 -2.0973 -2.0499 -2.0356 -1.8173 -1.8126 -1.6614 -1.6464 -1.5818 -1.5625 7.2092 7.2092 10.9028 10.9033 11.9987 11.9998 12.1997 12.2026 12.4927 12.4936 k = 0.0000 0.0000 0.1473 ( 6854 PWs) bands (ev): -97.1466 -97.1466 -97.1462 -97.1462 -97.1460 -97.1460 -22.5334 -22.5334 -22.0047 -22.0046 -21.7451 -21.7450 -21.6281 -21.6281 -21.6265 -21.6265 -21.6135 -21.6135 -6.2423 -6.2420 -5.7483 -5.7477 -5.1935 -5.1915 -5.1405 -5.1246 -5.0041 -5.0010 -4.7308 -4.7203 -3.4204 -3.4155 -3.2500 -3.2470 -3.1942 -3.1891 -3.0434 -3.0261 -2.3002 -2.2925 -2.2119 -2.2083 -2.1732 -2.1661 -2.1331 -2.1051 -2.0514 -2.0368 -1.8122 -1.8069 -1.6570 -1.6426 -1.5753 -1.5561 7.2499 7.2499 10.8127 10.8132 12.0194 12.0205 12.2200 12.2228 12.5493 12.5500 k = 0.0000 0.0000 0.1621 ( 6854 PWs) bands (ev): -97.1466 -97.1466 -97.1462 -97.1462 -97.1460 -97.1460 -22.5278 -22.5278 -22.0200 -22.0200 -21.7355 -21.7355 -21.6282 -21.6282 -21.6270 -21.6270 -21.6128 -21.6128 -6.2619 -6.2617 -5.7226 -5.7218 -5.1999 -5.1978 -5.1548 -5.1386 -5.0127 -5.0094 -4.7069 -4.6966 -3.4184 -3.4134 -3.2393 -3.2364 -3.1872 -3.1821 -3.0234 -3.0050 -2.3209 -2.3130 -2.2295 -2.2278 -2.1825 -2.1781 -2.1438 -2.1135 -2.0535 -2.0386 -1.8066 -1.8007 -1.6518 -1.6381 -1.5694 -1.5504 7.2945 7.2945 10.7215 10.7220 12.0387 12.0399 12.2429 12.2455 12.6065 12.6071 k = 0.0000 0.0000 0.1768 ( 6854 PWs) bands (ev): -97.1466 -97.1466 -97.1462 -97.1462 -97.1460 -97.1460 -22.5217 -22.5217 -22.0354 -22.0354 -21.7264 -21.7263 -21.6283 -21.6283 -21.6274 -21.6274 -21.6122 -21.6122 -6.2808 -6.2806 -5.6972 -5.6963 -5.2066 -5.2044 -5.1684 -5.1519 -5.0218 -5.0183 -4.6830 -4.6731 -3.4147 -3.4098 -3.2294 -3.2265 -3.1795 -3.1744 -3.0022 -2.9828 -2.3420 -2.3341 -2.2497 -2.2492 -2.1921 -2.1892 -2.1547 -2.1226 -2.0562 -2.0410 -1.8004 -1.7939 -1.6462 -1.6330 -1.5642 -1.5454 7.3428 7.3428 10.6292 10.6296 12.0570 12.0582 12.2683 12.2708 12.6637 12.6643 k = 0.0000 0.0000 0.1915 ( 6860 PWs) bands (ev): -97.1466 -97.1466 -97.1463 -97.1463 -97.1460 -97.1460 -22.5152 -22.5152 -22.0509 -22.0509 -21.7176 -21.7176 -21.6284 -21.6284 -21.6278 -21.6278 -21.6115 -21.6115 -6.2989 -6.2987 -5.6721 -5.6711 -5.2137 -5.2113 -5.1812 -5.1644 -5.0314 -5.0278 -4.6592 -4.6497 -3.4095 -3.4045 -3.2203 -3.2174 -3.1712 -3.1662 -2.9800 -2.9595 -2.3635 -2.3555 -2.2722 -2.2720 -2.2017 -2.1995 -2.1659 -2.1325 -2.0594 -2.0440 -1.7938 -1.7867 -1.6401 -1.6275 -1.5599 -1.5412 7.3948 7.3948 10.5358 10.5362 12.0745 12.0757 12.2961 12.2985 12.7208 12.7214 k = 0.0000 0.0000 0.2063 ( 6836 PWs) bands (ev): -97.1466 -97.1466 -97.1463 -97.1463 -97.1460 -97.1460 -22.5081 -22.5081 -22.0665 -22.0665 -21.7093 -21.7093 -21.6285 -21.6285 -21.6282 -21.6282 -21.6108 -21.6108 -6.3161 -6.3159 -5.6475 -5.6464 -5.2209 -5.2185 -5.1932 -5.1762 -5.0413 -5.0376 -4.6357 -4.6265 -3.4026 -3.3976 -3.2120 -3.2092 -3.1623 -3.1573 -2.9568 -2.9355 -2.3853 -2.3772 -2.2967 -2.2961 -2.2110 -2.2090 -2.1776 -2.1430 -2.0631 -2.0475 -1.7867 -1.7790 -1.6338 -1.6217 -1.5563 -1.5379 7.4503 7.4503 10.4416 10.4419 12.0913 12.0925 12.3264 12.3286 12.7775 12.7781 k = 0.0000 0.0000 0.2210 ( 6812 PWs) bands (ev): -97.1465 -97.1465 -97.1463 -97.1463 -97.1460 -97.1460 -22.5006 -22.5006 -22.0821 -22.0821 -21.7015 -21.7014 -21.6287 -21.6287 -21.6285 -21.6285 -21.6102 -21.6102 -6.3325 -6.3323 -5.6233 -5.6221 -5.2284 -5.2258 -5.2044 -5.1871 -5.0516 -5.0478 -4.6125 -4.6037 -3.3941 -3.3890 -3.2048 -3.2019 -3.1529 -3.1480 -2.9330 -2.9108 -2.4073 -2.3991 -2.3223 -2.3214 -2.2199 -2.2177 -2.1897 -2.1543 -2.0671 -2.0514 -1.7792 -1.7709 -1.6273 -1.6157 -1.5537 -1.5354 7.5092 7.5092 10.3466 10.3469 12.1076 12.1087 12.3590 12.3611 12.8337 12.8343 k = 0.0000 0.0000 0.2358 ( 6812 PWs) bands (ev): -97.1465 -97.1465 -97.1463 -97.1463 -97.1460 -97.1460 -22.4926 -22.4926 -22.0978 -22.0978 -21.6940 -21.6940 -21.6288 -21.6288 -21.6288 -21.6288 -21.6096 -21.6096 -6.3480 -6.3477 -5.5996 -5.5983 -5.2360 -5.2333 -5.2148 -5.1973 -5.0623 -5.0584 -4.5898 -4.5813 -3.3839 -3.3788 -3.1985 -3.1957 -3.1431 -3.1384 -2.9087 -2.8856 -2.4294 -2.4212 -2.3487 -2.3477 -2.2281 -2.2255 -2.2023 -2.1664 -2.0716 -2.0557 -1.7713 -1.7624 -1.6209 -1.6097 -1.5519 -1.5339 7.5713 7.5713 10.2509 10.2511 12.1232 12.1243 12.3939 12.3958 12.8892 12.8899 k = 0.0000 0.0000 0.2505 ( 6818 PWs) bands (ev): -97.1465 -97.1465 -97.1463 -97.1463 -97.1460 -97.1460 -22.4841 -22.4841 -22.1135 -22.1134 -21.6870 -21.6870 -21.6291 -21.6291 -21.6289 -21.6289 -21.6090 -21.6090 -6.3626 -6.3623 -5.5766 -5.5751 -5.2437 -5.2408 -5.2243 -5.2066 -5.0733 -5.0693 -4.5676 -4.5595 -3.3721 -3.3670 -3.1934 -3.1905 -3.1330 -3.1284 -2.8841 -2.8603 -2.4515 -2.4433 -2.3757 -2.3746 -2.2357 -2.2325 -2.2156 -2.1792 -2.0763 -2.0604 -1.7630 -1.7535 -1.6146 -1.6038 -1.5510 -1.5333 7.6365 7.6366 10.1546 10.1548 12.1383 12.1393 12.4310 12.4327 12.9441 12.9448 k = 0.0000 0.0000 0.2652 ( 6842 PWs) bands (ev): -97.1465 -97.1465 -97.1463 -97.1463 -97.1460 -97.1460 -22.4752 -22.4752 -22.1291 -22.1291 -21.6805 -21.6805 -21.6294 -21.6294 -21.6291 -21.6291 -21.6085 -21.6085 -6.3762 -6.3760 -5.5541 -5.5525 -5.2514 -5.2483 -5.2329 -5.2152 -5.0846 -5.0805 -4.5460 -4.5384 -3.3587 -3.3536 -3.1893 -3.1863 -3.1227 -3.1184 -2.8594 -2.8350 -2.4736 -2.4654 -2.4029 -2.4016 -2.2423 -2.2386 -2.2295 -2.1928 -2.0812 -2.0655 -1.7543 -1.7443 -1.6085 -1.5980 -1.5510 -1.5337 7.7047 7.7048 10.0577 10.0579 12.1526 12.1536 12.4702 12.4717 12.9982 12.9991 k = 0.0000 0.0000 0.2800 ( 6842 PWs) bands (ev): -97.1465 -97.1465 -97.1463 -97.1463 -97.1460 -97.1460 -22.4659 -22.4659 -22.1448 -22.1448 -21.6745 -21.6744 -21.6296 -21.6296 -21.6292 -21.6292 -21.6080 -21.6080 -6.3890 -6.3887 -5.5323 -5.5305 -5.2590 -5.2557 -5.2406 -5.2228 -5.0961 -5.0919 -4.5253 -4.5181 -3.3438 -3.3388 -3.1861 -3.1832 -3.1123 -3.1083 -2.8348 -2.8099 -2.4956 -2.4874 -2.4297 -2.4283 -2.2480 -2.2440 -2.2437 -2.2071 -2.0863 -2.0707 -1.7454 -1.7347 -1.6027 -1.5924 -1.5518 -1.5350 7.7758 7.7758 9.9604 9.9606 12.1663 12.1671 12.5113 12.5126 13.0516 13.0526 k = 0.0000 0.0000 0.2947 ( 6842 PWs) bands (ev): -97.1465 -97.1465 -97.1463 -97.1463 -97.1460 -97.1460 -22.4561 -22.4561 -22.1604 -22.1604 -21.6689 -21.6688 -21.6298 -21.6298 -21.6293 -21.6293 -21.6075 -21.6075 -6.4007 -6.4005 -5.5112 -5.5093 -5.2666 -5.2631 -5.2473 -5.2297 -5.1078 -5.1034 -4.5054 -4.4987 -3.3274 -3.3224 -3.1840 -3.1811 -3.1021 -3.0984 -2.8107 -2.7857 -2.5174 -2.5091 -2.4558 -2.4539 -2.2592 -2.2528 -2.2479 -2.2221 -2.0914 -2.0762 -1.7361 -1.7249 -1.5973 -1.5871 -1.5533 -1.5372 7.8495 7.8495 9.8628 9.8629 12.1791 12.1799 12.5543 12.5554 13.1043 13.1054 k = 0.0000 0.0000 0.3094 ( 6842 PWs) bands (ev): -97.1465 -97.1465 -97.1463 -97.1463 -97.1460 -97.1460 -22.4459 -22.4459 -22.1759 -22.1759 -21.6637 -21.6637 -21.6300 -21.6300 -21.6295 -21.6295 -21.6071 -21.6071 -6.4115 -6.4113 -5.4908 -5.4888 -5.2740 -5.2702 -5.2530 -5.2355 -5.1198 -5.1152 -4.4865 -4.4803 -3.3097 -3.3047 -3.1827 -3.1798 -3.0922 -3.0889 -2.7876 -2.7627 -2.5388 -2.5306 -2.4803 -2.4778 -2.2751 -2.2566 -2.2512 -2.2378 -2.0966 -2.0818 -1.7267 -1.7148 -1.5925 -1.5821 -1.5554 -1.5402 7.9257 7.9257 9.7649 9.7650 12.1911 12.1917 12.5991 12.5999 13.1562 13.1573 k = 0.0000 0.0000 0.3242 ( 6842 PWs) bands (ev): -97.1465 -97.1465 -97.1463 -97.1463 -97.1460 -97.1460 -22.4353 -22.4352 -22.1914 -22.1913 -21.6591 -21.6591 -21.6302 -21.6302 -21.6296 -21.6296 -21.6067 -21.6067 -6.4213 -6.4211 -5.4712 -5.4692 -5.2813 -5.2773 -5.2577 -5.2404 -5.1319 -5.1271 -4.4689 -4.4632 -3.2907 -3.2858 -3.1822 -3.1793 -3.0830 -3.0802 -2.7659 -2.7419 -2.5598 -2.5517 -2.5025 -2.4988 -2.2916 -2.2600 -2.2537 -2.2535 -2.1017 -2.0876 -1.7170 -1.7045 -1.5886 -1.5775 -1.5580 -1.5442 8.0043 8.0043 9.6669 9.6670 12.2021 12.2027 12.6454 12.6460 13.2071 13.2084 k = 0.0000 0.0000 0.3389 ( 6842 PWs) bands (ev): -97.1465 -97.1465 -97.1464 -97.1464 -97.1460 -97.1460 -22.4243 -22.4242 -22.2067 -22.2067 -21.6549 -21.6549 -21.6303 -21.6303 -21.6297 -21.6297 -21.6063 -21.6063 -6.4301 -6.4299 -5.4525 -5.4504 -5.2883 -5.2842 -5.2612 -5.2442 -5.1441 -5.1390 -4.4525 -4.4474 -3.2707 -3.2659 -3.1823 -3.1795 -3.0748 -3.0726 -2.7466 -2.7244 -2.5803 -2.5723 -2.5210 -2.5153 -2.3088 -2.2726 -2.2603 -2.2552 -2.1067 -2.0932 -1.7071 -1.6940 -1.5858 -1.5733 -1.5605 -1.5489 8.0852 8.0852 9.5689 9.5689 12.2121 12.2126 12.6931 12.6934 13.2570 13.2584 k = 0.0000 0.0000 0.3536 ( 6848 PWs) bands (ev): -97.1465 -97.1465 -97.1464 -97.1464 -97.1460 -97.1460 -22.4129 -22.4129 -22.2219 -22.2219 -21.6512 -21.6512 -21.6304 -21.6304 -21.6299 -21.6299 -21.6060 -21.6060 -6.4378 -6.4377 -5.4347 -5.4326 -5.2952 -5.2910 -5.2635 -5.2469 -5.1565 -5.1510 -4.4376 -4.4331 -3.2497 -3.2452 -3.1829 -3.1801 -3.0681 -3.0665 -2.7307 -2.7117 -2.6000 -2.5922 -2.5344 -2.5255 -2.3266 -2.2904 -2.2615 -2.2561 -2.1113 -2.0989 -1.6972 -1.6835 -1.5851 -1.5696 -1.5623 -1.5544 8.1681 8.1681 9.4708 9.4709 12.2211 12.2216 12.7421 12.7421 13.3057 13.3070 k = 0.0000 0.0000 0.3684 ( 6830 PWs) bands (ev): -97.1465 -97.1465 -97.1464 -97.1464 -97.1460 -97.1460 -22.4011 -22.4011 -22.2370 -22.2370 -21.6480 -21.6480 -21.6305 -21.6305 -21.6300 -21.6300 -21.6057 -21.6057 -6.4446 -6.4445 -5.4179 -5.4159 -5.3019 -5.2977 -5.2645 -5.2482 -5.1688 -5.1629 -4.4243 -4.4203 -3.2281 -3.2239 -3.1838 -3.1808 -3.0632 -3.0624 -2.7192 -2.7046 -2.6189 -2.6113 -2.5411 -2.5278 -2.3451 -2.3091 -2.2619 -2.2565 -2.1156 -2.1043 -1.6871 -1.6728 -1.5868 -1.5663 -1.5628 -1.5607 8.2530 8.2530 9.3730 9.3730 12.2290 12.2294 12.7918 12.7920 13.3526 13.3540 k = 0.0000 0.0000 0.3831 ( 6842 PWs) bands (ev): -97.1465 -97.1465 -97.1464 -97.1464 -97.1460 -97.1460 -22.3890 -22.3890 -22.2520 -22.2520 -21.6452 -21.6452 -21.6305 -21.6305 -21.6301 -21.6301 -21.6055 -21.6054 -6.4503 -6.4502 -5.4022 -5.4004 -5.3085 -5.3044 -5.2640 -5.2483 -5.1811 -5.1746 -4.4128 -4.4094 -3.2060 -3.2031 -3.1849 -3.1810 -3.0609 -3.0609 -2.7124 -2.7028 -2.6367 -2.6293 -2.5403 -2.5222 -2.3641 -2.3285 -2.2616 -2.2566 -2.1193 -2.1094 -1.6771 -1.6622 -1.5910 -1.5677 -1.5635 -1.5621 8.3397 8.3397 9.2754 9.2754 12.2358 12.2361 12.8422 12.8427 13.3213 13.3253 k = 0.0000 0.0000 0.3978 ( 6842 PWs) bands (ev): -97.1465 -97.1465 -97.1464 -97.1464 -97.1460 -97.1460 -22.3766 -22.3766 -22.2667 -22.2667 -21.6430 -21.6430 -21.6306 -21.6306 -21.6302 -21.6302 -21.6053 -21.6053 -6.4550 -6.4549 -5.3877 -5.3862 -5.3150 -5.3112 -5.2620 -5.2469 -5.1933 -5.1861 -4.4031 -4.4003 -3.1887 -3.1860 -3.1839 -3.1747 -3.0625 -3.0616 -2.7092 -2.7042 -2.6532 -2.6461 -2.5326 -2.5101 -2.3837 -2.3485 -2.2609 -2.2565 -2.1224 -2.1140 -1.6671 -1.6516 -1.5968 -1.5752 -1.5613 -1.5608 8.4281 8.4281 9.1781 9.1781 12.2413 12.2416 12.8931 12.8940 13.2805 13.2842 k = 0.0000 0.0000 0.4126 ( 6842 PWs) bands (ev): -97.1465 -97.1465 -97.1464 -97.1464 -97.1460 -97.1460 -22.3638 -22.3638 -22.2813 -22.2813 -21.6413 -21.6413 -21.6306 -21.6306 -21.6303 -21.6303 -21.6051 -21.6051 -6.4587 -6.4586 -5.3744 -5.3733 -5.3215 -5.3181 -5.2583 -5.2440 -5.2052 -5.1972 -4.3953 -4.3933 -3.1871 -3.1870 -3.1621 -3.1560 -3.0676 -3.0657 -2.7075 -2.7061 -2.6681 -2.6613 -2.5196 -2.4936 -2.4036 -2.3691 -2.2599 -2.2564 -2.1247 -2.1182 -1.6572 -1.6411 -1.6037 -1.5834 -1.5595 -1.5594 8.5179 8.5179 9.0814 9.0814 12.2457 12.2459 12.9442 12.9454 13.2372 13.2406 k = 0.0000 0.0000 0.4273 ( 6842 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3507 -22.3507 -22.2957 -22.2957 -21.6400 -21.6400 -21.6306 -21.6306 -21.6304 -21.6304 -21.6050 -21.6050 -6.4613 -6.4612 -5.3624 -5.3620 -5.3282 -5.3255 -5.2528 -5.2395 -5.2166 -5.2077 -4.3896 -4.3882 -3.1877 -3.1875 -3.1411 -3.1358 -3.0763 -3.0735 -2.7067 -2.7054 -2.6811 -2.6748 -2.5030 -2.4746 -2.4239 -2.3901 -2.2589 -2.2564 -2.1260 -2.1216 -1.6474 -1.6308 -1.6115 -1.5921 -1.5583 -1.5583 8.6092 8.6092 8.9852 8.9852 12.2488 12.2489 12.9952 12.9968 13.1917 13.1948 k = 0.0000 0.0000 0.4420 ( 6842 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3374 -22.3374 -22.3098 -22.3098 -21.6393 -21.6393 -21.6305 -21.6305 -21.6305 -21.6304 -21.6049 -21.6049 -6.4628 -6.4628 -5.3520 -5.3516 -5.3354 -5.3333 -5.2458 -5.2335 -5.2274 -5.2174 -4.3860 -4.3853 -3.1882 -3.1880 -3.1214 -3.1167 -3.0884 -3.0849 -2.7047 -2.7014 -2.6917 -2.6861 -2.4844 -2.4541 -2.4444 -2.4114 -2.2579 -2.2566 -2.1264 -2.1241 -1.6379 -1.6206 -1.6198 -1.6012 -1.5576 -1.5576 8.7016 8.7017 8.8898 8.8898 12.2507 12.2508 13.0458 13.0478 13.1445 13.1472 k = 0.0000 0.0000 0.4568 ( 6830 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3237 -22.3237 -22.3237 -22.3237 -21.6390 -21.6390 -21.6305 -21.6305 -21.6305 -21.6305 -21.6049 -21.6049 -6.4633 -6.4633 -5.3432 -5.3432 -5.3420 -5.3420 -5.2372 -5.2372 -5.2261 -5.2261 -4.3846 -4.3846 -3.1883 -3.1883 -3.1036 -3.1036 -3.0995 -3.0995 -2.6997 -2.6997 -2.6950 -2.6950 -2.4646 -2.4646 -2.4328 -2.4328 -2.2571 -2.2571 -2.1258 -2.1258 -1.6286 -1.6286 -1.6107 -1.6107 -1.5573 -1.5573 8.7952 8.7952 8.7952 8.7952 12.2514 12.2514 13.0957 13.0957 13.0980 13.0980 k = 0.0000 0.0000 0.4568 ( 6830 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3237 -22.3237 -22.3237 -22.3237 -21.6390 -21.6390 -21.6305 -21.6305 -21.6305 -21.6305 -21.6049 -21.6049 -6.4633 -6.4633 -5.3432 -5.3432 -5.3420 -5.3420 -5.2372 -5.2372 -5.2261 -5.2261 -4.3846 -4.3846 -3.1883 -3.1883 -3.1036 -3.1036 -3.0995 -3.0995 -2.6997 -2.6997 -2.6950 -2.6950 -2.4646 -2.4646 -2.4328 -2.4328 -2.2571 -2.2571 -2.1258 -2.1258 -1.6286 -1.6286 -1.6107 -1.6107 -1.5573 -1.5573 8.7952 8.7952 8.7952 8.7952 12.2514 12.2514 13.0957 13.0957 13.0980 13.0980 k = 0.0128 0.0074 0.4568 ( 6846 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3236 -22.3236 -22.3235 -22.3235 -21.6391 -21.6391 -21.6308 -21.6308 -21.6305 -21.6305 -21.6050 -21.6050 -6.4629 -6.4629 -5.3458 -5.3454 -5.3427 -5.3421 -5.2358 -5.2355 -5.2242 -5.2241 -4.3855 -4.3842 -3.1884 -3.1878 -3.1046 -3.1046 -3.1007 -3.1001 -2.7014 -2.7001 -2.6955 -2.6953 -2.4637 -2.4636 -2.4319 -2.4317 -2.2573 -2.2557 -2.1259 -2.1254 -1.6301 -1.6282 -1.6113 -1.6112 -1.5582 -1.5562 8.7968 8.7968 8.7969 8.7969 12.2523 12.2523 13.0948 13.0948 13.0971 13.0972 k = 0.0256 0.0148 0.4568 ( 6844 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3234 -22.3234 -22.3227 -22.3227 -21.6393 -21.6393 -21.6316 -21.6316 -21.6305 -21.6305 -21.6051 -21.6051 -6.4615 -6.4615 -5.3516 -5.3498 -5.3464 -5.3440 -5.2315 -5.2309 -5.2189 -5.2185 -4.3869 -4.3844 -3.1883 -3.1870 -3.1075 -3.1073 -3.1038 -3.1025 -2.7046 -2.7025 -2.6971 -2.6961 -2.4610 -2.4605 -2.4290 -2.4285 -2.2563 -2.2531 -2.1258 -2.1248 -1.6325 -1.6287 -1.6129 -1.6125 -1.5588 -1.5550 8.8013 8.8014 8.8019 8.8020 12.2550 12.2551 13.0918 13.0921 13.0946 13.0949 k = 0.0385 0.0222 0.4568 ( 6848 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3229 -22.3229 -22.3215 -22.3215 -21.6396 -21.6396 -21.6330 -21.6330 -21.6304 -21.6304 -21.6054 -21.6054 -6.4591 -6.4591 -5.3596 -5.3556 -5.3528 -5.3477 -5.2250 -5.2233 -5.2112 -5.2098 -4.3889 -4.3851 -3.1880 -3.1859 -3.1126 -3.1118 -3.1088 -3.1064 -2.7088 -2.7064 -2.6997 -2.6976 -2.4569 -2.4555 -2.4246 -2.4230 -2.2540 -2.2492 -2.1255 -2.1239 -1.6360 -1.6303 -1.6156 -1.6144 -1.5590 -1.5538 8.8089 8.8090 8.8102 8.8103 12.2595 12.2597 13.0866 13.0874 13.0907 13.0913 k = 0.0513 0.0296 0.4568 ( 6840 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3223 -22.3223 -22.3198 -22.3198 -21.6401 -21.6401 -21.6350 -21.6350 -21.6303 -21.6303 -21.6058 -21.6058 -6.4559 -6.4558 -5.3691 -5.3627 -5.3605 -5.3527 -5.2167 -5.2134 -5.2016 -5.1989 -4.3914 -4.3864 -3.1876 -3.1847 -3.1196 -3.1178 -3.1157 -3.1117 -2.7138 -2.7111 -2.7032 -2.7000 -2.4520 -2.4488 -2.4190 -2.4156 -2.2505 -2.2442 -2.1249 -2.1228 -1.6405 -1.6331 -1.6191 -1.6166 -1.5591 -1.5527 8.8196 8.8197 8.8219 8.8220 12.2656 12.2658 13.0793 13.0804 13.0855 13.0863 k = 0.0641 0.0370 0.4568 ( 6840 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3215 -22.3215 -22.3175 -22.3175 -21.6406 -21.6406 -21.6375 -21.6375 -21.6303 -21.6303 -21.6063 -21.6063 -6.4517 -6.4516 -5.3796 -5.3722 -5.3674 -5.3583 -5.2074 -5.2020 -5.1906 -5.1862 -4.3944 -4.3883 -3.1875 -3.1836 -3.1287 -3.1256 -3.1241 -3.1180 -2.7191 -2.7161 -2.7072 -2.7030 -2.4468 -2.4409 -2.4124 -2.4064 -2.2457 -2.2381 -2.1242 -2.1215 -1.6461 -1.6372 -1.6231 -1.6191 -1.5591 -1.5519 8.8332 8.8333 8.8369 8.8370 12.2730 12.2733 13.0701 13.0714 13.0788 13.0798 k = 0.0769 0.0444 0.4568 ( 6846 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3205 -22.3205 -22.3148 -22.3148 -21.6413 -21.6413 -21.6406 -21.6406 -21.6302 -21.6302 -21.6069 -21.6069 -6.4466 -6.4465 -5.3908 -5.3832 -5.3738 -5.3642 -5.1973 -5.1897 -5.1783 -5.1720 -4.3980 -4.3906 -3.1883 -3.1833 -3.1396 -3.1360 -3.1322 -3.1247 -2.7243 -2.7212 -2.7113 -2.7066 -2.4415 -2.4324 -2.4048 -2.3957 -2.2397 -2.2308 -2.1233 -2.1201 -1.6525 -1.6425 -1.6274 -1.6219 -1.5590 -1.5513 8.8498 8.8500 8.8551 8.8553 12.2814 12.2818 13.0591 13.0607 13.0705 13.0717 k = 0.0897 0.0518 0.4568 ( 6846 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3194 -22.3194 -22.3117 -22.3117 -21.6442 -21.6442 -21.6420 -21.6420 -21.6302 -21.6302 -21.6076 -21.6076 -6.4406 -6.4405 -5.4025 -5.3949 -5.3799 -5.3700 -5.1869 -5.1772 -5.1646 -5.1566 -4.4020 -4.3935 -3.1908 -3.1849 -3.1524 -3.1486 -3.1390 -3.1309 -2.7293 -2.7258 -2.7151 -2.7104 -2.4365 -2.4240 -2.3962 -2.3837 -2.2326 -2.2226 -2.1223 -2.1186 -1.6598 -1.6490 -1.6321 -1.6252 -1.5590 -1.5510 8.8695 8.8696 8.8766 8.8769 12.2905 12.2909 13.0466 13.0483 13.0607 13.0619 k = 0.1026 0.0592 0.4568 ( 6846 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3181 -22.3181 -22.3080 -22.3080 -21.6483 -21.6483 -21.6428 -21.6428 -21.6302 -21.6302 -21.6084 -21.6084 -6.4337 -6.4336 -5.4145 -5.4071 -5.3854 -5.3755 -5.1763 -5.1651 -5.1493 -5.1402 -4.4066 -4.3970 -3.1964 -3.1903 -3.1669 -3.1630 -3.1431 -3.1352 -2.7340 -2.7299 -2.7185 -2.7144 -2.4320 -2.4164 -2.3863 -2.3709 -2.2245 -2.2136 -2.1211 -2.1169 -1.6677 -1.6564 -1.6373 -1.6291 -1.5590 -1.5509 8.8920 8.8922 8.9014 8.9016 12.2997 12.3002 13.0326 13.0344 13.0495 13.0506 k = 0.1154 0.0666 0.4568 ( 6858 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3167 -22.3167 -22.3039 -22.3039 -21.6530 -21.6530 -21.6437 -21.6437 -21.6302 -21.6302 -21.6093 -21.6093 -6.4260 -6.4259 -5.4268 -5.4195 -5.3905 -5.3806 -5.1657 -5.1534 -5.1327 -5.1230 -4.4116 -4.4010 -3.2058 -3.2003 -3.1829 -3.1788 -3.1435 -3.1368 -2.7384 -2.7329 -2.7214 -2.7184 -2.4280 -2.4100 -2.3751 -2.3574 -2.2155 -2.2039 -2.1200 -2.1152 -1.6760 -1.6645 -1.6430 -1.6336 -1.5592 -1.5510 8.9175 8.9177 8.9293 8.9296 12.3084 12.3089 13.0172 13.0190 13.0371 13.0381 k = 0.1282 0.0740 0.4568 ( 6870 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3151 -22.3151 -22.2993 -22.2993 -21.6582 -21.6582 -21.6447 -21.6447 -21.6303 -21.6303 -21.6102 -21.6102 -6.4174 -6.4173 -5.4392 -5.4321 -5.3950 -5.3853 -5.1551 -5.1420 -5.1151 -5.1050 -4.4171 -4.4055 -3.2188 -3.2141 -3.2003 -3.1960 -3.1408 -3.1355 -2.7427 -2.7349 -2.7243 -2.7215 -2.4245 -2.4049 -2.3628 -2.3435 -2.2060 -2.1937 -2.1188 -2.1134 -1.6847 -1.6730 -1.6494 -1.6389 -1.5593 -1.5513 8.9459 8.9461 8.9603 8.9607 12.3156 12.3163 13.0000 13.0018 13.0243 13.0253 k = 0.1410 0.0814 0.4568 ( 6870 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3134 -22.3134 -22.2942 -22.2942 -21.6638 -21.6638 -21.6457 -21.6457 -21.6304 -21.6304 -21.6112 -21.6112 -6.4080 -6.4079 -5.4516 -5.4448 -5.3990 -5.3894 -5.1447 -5.1309 -5.0967 -5.0864 -4.4230 -4.4105 -3.2349 -3.2310 -3.2186 -3.2140 -3.1361 -3.1320 -2.7468 -2.7359 -2.7279 -2.7228 -2.4214 -2.4007 -2.3498 -2.3294 -2.1961 -2.1833 -2.1176 -2.1117 -1.6936 -1.6818 -1.6565 -1.6450 -1.5595 -1.5518 8.9771 8.9774 8.9945 8.9949 12.3206 12.3213 12.9801 12.9820 13.0124 13.0135 k = 0.1538 0.0888 0.4568 ( 6870 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3115 -22.3115 -22.2888 -22.2888 -21.6700 -21.6700 -21.6468 -21.6468 -21.6305 -21.6305 -21.6123 -21.6123 -6.3979 -6.3978 -5.4640 -5.4575 -5.4023 -5.3929 -5.1345 -5.1201 -5.0776 -5.0672 -4.4294 -4.4160 -3.2533 -3.2500 -3.2373 -3.2328 -3.1300 -3.1268 -2.7508 -2.7362 -2.7316 -2.7229 -2.4187 -2.3972 -2.3364 -2.3155 -2.1859 -2.1727 -2.1164 -2.1099 -1.7026 -1.6907 -1.6644 -1.6519 -1.5596 -1.5523 9.0111 9.0114 9.0317 9.0321 12.3221 12.3230 12.9568 12.9586 13.0028 13.0043 k = 0.1667 0.0962 0.4568 ( 6866 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3096 -22.3096 -22.2828 -22.2828 -21.6766 -21.6766 -21.6480 -21.6479 -21.6307 -21.6307 -21.6133 -21.6133 -6.3870 -6.3869 -5.4765 -5.4702 -5.4050 -5.3958 -5.1245 -5.1095 -5.0581 -5.0477 -4.4362 -4.4220 -3.2736 -3.2708 -3.2564 -3.2520 -3.1227 -3.1203 -2.7548 -2.7378 -2.7332 -2.7220 -2.4163 -2.3941 -2.3231 -2.3017 -2.1759 -2.1623 -2.1152 -2.1080 -1.7116 -1.6996 -1.6730 -1.6598 -1.5598 -1.5528 9.0479 9.0482 9.0719 9.0724 12.3192 12.3202 12.9294 12.9311 12.9967 12.9985 k = 0.1795 0.1036 0.4568 ( 6862 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3075 -22.3075 -22.2765 -22.2765 -21.6837 -21.6837 -21.6492 -21.6491 -21.6310 -21.6310 -21.6145 -21.6145 -6.3754 -6.3752 -5.4888 -5.4828 -5.4071 -5.3982 -5.1147 -5.0993 -5.0383 -5.0279 -4.4435 -4.4286 -3.2955 -3.2926 -3.2756 -3.2715 -3.1145 -3.1125 -2.7588 -2.7417 -2.7319 -2.7203 -2.4141 -2.3914 -2.3100 -2.2885 -2.1662 -2.1521 -2.1140 -2.1060 -1.7204 -1.7083 -1.6824 -1.6685 -1.5599 -1.5533 9.0874 9.0878 9.1150 9.1155 12.3109 12.3120 12.8973 12.8990 12.9949 12.9969 k = 0.1923 0.1110 0.4568 ( 6864 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3054 -22.3053 -22.2697 -22.2697 -21.6913 -21.6913 -21.6504 -21.6504 -21.6312 -21.6312 -21.6156 -21.6156 -6.3631 -6.3630 -5.5011 -5.4954 -5.4086 -5.4000 -5.1052 -5.0894 -5.0181 -5.0079 -4.4512 -4.4356 -3.3185 -3.3152 -3.2949 -3.2910 -3.1056 -3.1038 -2.7629 -2.7461 -2.7295 -2.7179 -2.4118 -2.3888 -2.2974 -2.2761 -2.1572 -2.1424 -2.1127 -2.1037 -1.7290 -1.7169 -1.6926 -1.6780 -1.5599 -1.5537 9.1295 9.1299 9.1610 9.1615 12.2964 12.2977 12.8602 12.8618 12.9978 13.0000 k = 0.2051 0.1184 0.4568 ( 6868 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3031 -22.3031 -22.2626 -22.2626 -21.6992 -21.6992 -21.6517 -21.6517 -21.6316 -21.6315 -21.6167 -21.6167 -6.3502 -6.3500 -5.5132 -5.5078 -5.4096 -5.4012 -5.0960 -5.0798 -4.9979 -4.9878 -4.4593 -4.4432 -3.3421 -3.3383 -3.3143 -3.3106 -3.0958 -3.0940 -2.7672 -2.7508 -2.7266 -2.7150 -2.4095 -2.3862 -2.2857 -2.2647 -2.1491 -2.1331 -2.1112 -2.1009 -1.7372 -1.7251 -1.7034 -1.6883 -1.5599 -1.5542 9.1743 9.1748 9.2098 9.2103 12.2754 12.2768 12.8177 12.8192 13.0052 13.0076 k = 0.2179 0.1258 0.4568 ( 6866 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3008 -22.3008 -22.2550 -22.2550 -21.7076 -21.7076 -21.6531 -21.6531 -21.6319 -21.6319 -21.6179 -21.6179 -6.3367 -6.3366 -5.5253 -5.5201 -5.4100 -5.4019 -5.0870 -5.0705 -4.9776 -4.9678 -4.4678 -4.4512 -3.3660 -3.3616 -3.3335 -3.3300 -3.0854 -3.0834 -2.7716 -2.7558 -2.7232 -2.7117 -2.4071 -2.3834 -2.2750 -2.2546 -2.1421 -2.1244 -2.1093 -2.0972 -1.7450 -1.7330 -1.7148 -1.6993 -1.5598 -1.5545 9.2216 9.2221 9.2612 9.2618 12.2477 12.2494 12.7693 12.7707 13.0166 13.0191 k = 0.2308 0.1332 0.4568 ( 6874 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.2985 -22.2985 -22.2471 -22.2471 -21.7163 -21.7163 -21.6545 -21.6544 -21.6323 -21.6323 -21.6190 -21.6190 -6.3227 -6.3226 -5.5371 -5.5322 -5.4098 -5.4021 -5.0782 -5.0615 -4.9574 -4.9478 -4.4767 -4.4598 -3.3899 -3.3850 -3.3524 -3.3491 -3.0742 -3.0719 -2.7762 -2.7611 -2.7197 -2.7082 -2.4043 -2.3804 -2.2658 -2.2463 -2.1363 -2.1162 -2.1072 -2.0925 -1.7523 -1.7406 -1.7265 -1.7109 -1.5597 -1.5548 9.2715 9.2720 9.3153 9.3159 12.2138 12.2156 12.7150 12.7162 13.0310 13.0337 k = 0.2436 0.1406 0.4568 ( 6866 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.2961 -22.2961 -22.2389 -22.2389 -21.7254 -21.7254 -21.6559 -21.6559 -21.6327 -21.6327 -21.6201 -21.6201 -6.3082 -6.3081 -5.5488 -5.5441 -5.4092 -5.4018 -5.0697 -5.0529 -4.9375 -4.9281 -4.4860 -4.4688 -3.4135 -3.4082 -3.3710 -3.3679 -3.0623 -3.0597 -2.7811 -2.7667 -2.7159 -2.7046 -2.4012 -2.3771 -2.2583 -2.2400 -2.1315 -2.1083 -2.1045 -2.0870 -1.7591 -1.7482 -1.7381 -1.7229 -1.5595 -1.5551 9.3238 9.3244 9.3719 9.3725 12.1741 12.1760 12.6548 12.6560 13.0467 13.0496 k = 0.2564 0.1480 0.4568 ( 6874 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.2936 -22.2936 -22.2303 -22.2303 -21.7348 -21.7348 -21.6573 -21.6573 -21.6332 -21.6332 -21.6212 -21.6212 -6.2933 -6.2932 -5.5603 -5.5558 -5.4081 -5.4011 -5.0614 -5.0445 -4.9178 -4.9088 -4.4956 -4.4782 -3.4367 -3.4309 -3.3891 -3.3862 -3.0497 -3.0467 -2.7863 -2.7726 -2.7122 -2.7011 -2.3976 -2.3733 -2.2530 -2.2362 -2.1272 -2.1014 -2.1006 -2.0810 -1.7655 -1.7572 -1.7480 -1.7351 -1.5593 -1.5552 9.3784 9.3791 9.4309 9.4315 12.1290 12.1310 12.5892 12.5902 13.0618 13.0649 k = 0.2692 0.1554 0.4568 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.2912 -22.2912 -22.2214 -22.2214 -21.7446 -21.7446 -21.6588 -21.6588 -21.6336 -21.6336 -21.6222 -21.6222 -6.2781 -6.2780 -5.5716 -5.5674 -5.4067 -5.3999 -5.0534 -5.0363 -4.8986 -4.8899 -4.5056 -4.4881 -3.4592 -3.4531 -3.4067 -3.4039 -3.0364 -3.0330 -2.7918 -2.7789 -2.7086 -2.6976 -2.3936 -2.3691 -2.2502 -2.2350 -2.1229 -2.0976 -2.0930 -2.0748 -1.7718 -1.7687 -1.7551 -1.7471 -1.5591 -1.5554 9.4354 9.4361 9.4922 9.4929 12.0792 12.0814 12.5187 12.5195 13.0742 13.0775 k = 0.2821 0.1628 0.4568 ( 6876 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.2888 -22.2888 -22.2122 -22.2122 -21.7546 -21.7546 -21.6603 -21.6603 -21.6341 -21.6341 -21.6231 -21.6231 -6.2627 -6.2625 -5.5827 -5.5787 -5.4048 -5.3984 -5.0455 -5.0285 -4.8799 -4.8716 -4.5159 -4.4984 -3.4809 -3.4745 -3.4235 -3.4209 -3.0225 -3.0187 -2.7975 -2.7855 -2.7051 -2.6944 -2.3891 -2.3644 -2.2498 -2.2362 -2.1185 -2.0935 -2.0854 -2.0684 -1.7815 -1.7784 -1.7605 -1.7581 -1.5588 -1.5555 9.4946 9.4954 9.5558 9.5565 12.0253 12.0275 12.4438 12.4446 13.0821 13.0856 k = 0.2949 0.1702 0.4568 ( 6876 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.2864 -22.2864 -22.2028 -22.2028 -21.7648 -21.7648 -21.6618 -21.6618 -21.6346 -21.6346 -21.6241 -21.6241 -6.2471 -6.2469 -5.5936 -5.5898 -5.4026 -5.3965 -5.0378 -5.0209 -4.8619 -4.8541 -4.5264 -4.5090 -3.5016 -3.4949 -3.4396 -3.4372 -3.0081 -3.0038 -2.8035 -2.7924 -2.7018 -2.6914 -2.3841 -2.3593 -2.2520 -2.2398 -2.1139 -2.0892 -2.0776 -2.0621 -1.7946 -1.7868 -1.7673 -1.7645 -1.5586 -1.5555 9.5560 9.5568 9.6215 9.6222 11.9676 11.9699 12.3653 12.3660 13.0847 13.0882 k = 0.3077 0.1776 0.4568 ( 6876 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2840 -22.2840 -22.1931 -22.1931 -21.7753 -21.7753 -21.6633 -21.6633 -21.6352 -21.6351 -21.6249 -21.6249 -6.2313 -6.2312 -5.6043 -5.6007 -5.4001 -5.3944 -5.0303 -5.0135 -4.8447 -4.8373 -4.5372 -4.5200 -3.5211 -3.5143 -3.4548 -3.4526 -2.9932 -2.9883 -2.8097 -2.7995 -2.6988 -2.6888 -2.3788 -2.3539 -2.2566 -2.2453 -2.1095 -2.0852 -2.0695 -2.0558 -1.8079 -1.7973 -1.7733 -1.7681 -1.5583 -1.5555 9.6195 9.6204 9.6892 9.6900 11.9067 11.9090 12.2838 12.2844 13.0825 13.0860 k = 0.3205 0.1850 0.4568 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2817 -22.2817 -22.1832 -22.1832 -21.7859 -21.7859 -21.6648 -21.6648 -21.6357 -21.6357 -21.6257 -21.6257 -6.2156 -6.2154 -5.6147 -5.6113 -5.3974 -5.3921 -5.0230 -5.0064 -4.8284 -4.8215 -4.5481 -4.5311 -3.5394 -3.5325 -3.4692 -3.4671 -2.9779 -2.9725 -2.8158 -2.8068 -2.6961 -2.6865 -2.3734 -2.3484 -2.2632 -2.2522 -2.1053 -2.0816 -2.0611 -2.0493 -1.8209 -1.8093 -1.7772 -1.7710 -1.5580 -1.5555 9.6850 9.6860 9.7587 9.7596 11.8428 11.8452 12.1999 12.2005 13.0771 13.0805 k = 0.3333 0.1925 0.4568 ( 6882 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2795 -22.2795 -22.1732 -22.1732 -21.7967 -21.7967 -21.6663 -21.6663 -21.6362 -21.6362 -21.6265 -21.6265 -6.2000 -6.1998 -5.6248 -5.6216 -5.3945 -5.3896 -5.0157 -4.9995 -4.8131 -4.8066 -4.5591 -4.5425 -3.5563 -3.5494 -3.4826 -3.4807 -2.9625 -2.9565 -2.8219 -2.8140 -2.6938 -2.6847 -2.3680 -2.3431 -2.2713 -2.2598 -2.1018 -2.0788 -2.0526 -2.0426 -1.8337 -1.8217 -1.7799 -1.7734 -1.5578 -1.5555 9.7525 9.7534 9.8301 9.8309 11.7764 11.7788 12.1142 12.1147 13.0700 13.0733 k = 0.3462 0.1999 0.4568 ( 6894 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2774 -22.2774 -22.1631 -22.1631 -21.8075 -21.8075 -21.6677 -21.6677 -21.6366 -21.6366 -21.6272 -21.6272 -6.1847 -6.1845 -5.6345 -5.6316 -5.3916 -5.3870 -5.0087 -4.9928 -4.7988 -4.7929 -4.5700 -4.5539 -3.5719 -3.5650 -3.4949 -3.4932 -2.9472 -2.9405 -2.8274 -2.8209 -2.6918 -2.6832 -2.3634 -2.3388 -2.2801 -2.2674 -2.0991 -2.0767 -2.0439 -2.0357 -1.8462 -1.8343 -1.7817 -1.7752 -1.5575 -1.5555 9.8217 9.8227 9.9030 9.9039 11.7076 11.7101 12.0270 12.0275 13.0624 13.0656 k = 0.3590 0.2073 0.4568 ( 6890 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2753 -22.2753 -22.1530 -22.1529 -21.8183 -21.8183 -21.6691 -21.6691 -21.6371 -21.6371 -21.6278 -21.6278 -6.1696 -6.1694 -5.6440 -5.6413 -5.3885 -5.3843 -5.0017 -4.9864 -4.7857 -4.7803 -4.5808 -4.5654 -3.5859 -3.5792 -3.5063 -3.5047 -2.9324 -2.9250 -2.8320 -2.8271 -2.6901 -2.6821 -2.3602 -2.3366 -2.2882 -2.2737 -2.0974 -2.0755 -2.0354 -2.0285 -1.8581 -1.8465 -1.7829 -1.7767 -1.5573 -1.5554 9.8926 9.8937 9.9775 9.9784 11.6368 11.6392 11.9388 11.9393 13.0551 13.0582 k = 0.3718 0.2147 0.4568 ( 6894 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2734 -22.2734 -22.1428 -22.1428 -21.8291 -21.8291 -21.6704 -21.6704 -21.6375 -21.6375 -21.6284 -21.6284 -6.1551 -6.1549 -5.6530 -5.6505 -5.3855 -5.3816 -4.9950 -4.9803 -4.7738 -4.7689 -4.5914 -4.5766 -3.5985 -3.5920 -3.5166 -3.5152 -2.9191 -2.9108 -2.8347 -2.8317 -2.6889 -2.6814 -2.3597 -2.3385 -2.2936 -2.2775 -2.0965 -2.0751 -2.0270 -2.0210 -1.8695 -1.8584 -1.7836 -1.7778 -1.5570 -1.5554 9.9651 9.9663 10.0532 10.0541 11.5642 11.5666 11.8500 11.8505 13.0487 13.0517 k = 0.3846 0.2221 0.4568 ( 6898 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2716 -22.2716 -22.1327 -22.1327 -21.8398 -21.8398 -21.6717 -21.6717 -21.6379 -21.6379 -21.6290 -21.6290 -6.1412 -6.1410 -5.6616 -5.6593 -5.3825 -5.3790 -4.9884 -4.9744 -4.7631 -4.7588 -4.6015 -4.5876 -3.6096 -3.6034 -3.5259 -3.5246 -2.9085 -2.8993 -2.8343 -2.8334 -2.6882 -2.6812 -2.3628 -2.3455 -2.2948 -2.2778 -2.0965 -2.0757 -2.0188 -2.0133 -1.8803 -1.8698 -1.7840 -1.7787 -1.5568 -1.5554 10.0391 10.0404 10.1301 10.1310 11.4899 11.4923 11.7609 11.7615 13.0434 13.0463 k = 0.3974 0.2295 0.4568 ( 6896 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2700 -22.2700 -22.1229 -22.1229 -21.8502 -21.8502 -21.6728 -21.6728 -21.6383 -21.6383 -21.6294 -21.6294 -6.1280 -6.1278 -5.6697 -5.6676 -5.3796 -5.3766 -4.9820 -4.9690 -4.7536 -4.7498 -4.6111 -4.5982 -3.6192 -3.6134 -3.5342 -3.5330 -2.9018 -2.8923 -2.8307 -2.8292 -2.6879 -2.6814 -2.3696 -2.3562 -2.2923 -2.2750 -2.0972 -2.0771 -2.0109 -2.0056 -1.8905 -1.8806 -1.7841 -1.7793 -1.5566 -1.5553 10.1144 10.1157 10.2079 10.2088 11.4142 11.4166 11.6719 11.6725 13.0395 13.0423 k = 0.4103 0.2369 0.4568 ( 6884 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2685 -22.2685 -22.1133 -22.1133 -21.8602 -21.8602 -21.6739 -21.6739 -21.6386 -21.6386 -21.6299 -21.6299 -6.1158 -6.1156 -5.6772 -5.6754 -5.3769 -5.3742 -4.9759 -4.9640 -4.7454 -4.7422 -4.6200 -4.6083 -3.6274 -3.6221 -3.5413 -3.5403 -2.8993 -2.8904 -2.8227 -2.8197 -2.6883 -2.6821 -2.3790 -2.3688 -2.2874 -2.2704 -2.0985 -2.0793 -2.0032 -1.9979 -1.9001 -1.8908 -1.7841 -1.7798 -1.5564 -1.5553 10.1908 10.1922 10.2863 10.2873 11.3374 11.3397 11.5835 11.5841 13.0371 13.0398 k = 0.4231 0.2443 0.4568 ( 6884 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2672 -22.2672 -22.1042 -22.1042 -21.8697 -21.8697 -21.6748 -21.6748 -21.6389 -21.6389 -21.6302 -21.6302 -6.1047 -6.1045 -5.6840 -5.6824 -5.3744 -5.3721 -4.9702 -4.9594 -4.7384 -4.7358 -4.6280 -4.6175 -3.6343 -3.6295 -3.5475 -3.5465 -2.8996 -2.8919 -2.8111 -2.8071 -2.6893 -2.6834 -2.3897 -2.3820 -2.2813 -2.2651 -2.1002 -2.0821 -1.9958 -1.9903 -1.9090 -1.9004 -1.7839 -1.7801 -1.5562 -1.5553 10.2680 10.2695 10.3649 10.3659 11.2596 11.2618 11.4961 11.4967 13.0362 13.0387 k = 0.4359 0.2517 0.4568 ( 6888 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2660 -22.2660 -22.0958 -22.0958 -21.8785 -21.8785 -21.6756 -21.6756 -21.6392 -21.6392 -21.6305 -21.6305 -6.0949 -6.0947 -5.6900 -5.6886 -5.3722 -5.3703 -4.9649 -4.9556 -4.7327 -4.7305 -4.6349 -4.6259 -3.6398 -3.6357 -3.5526 -3.5518 -2.9014 -2.8950 -2.7977 -2.7931 -2.6910 -2.6854 -2.4007 -2.3948 -2.2747 -2.2598 -2.1019 -2.0855 -1.9885 -1.9829 -1.9174 -1.9094 -1.7836 -1.7804 -1.5560 -1.5553 10.3458 10.3473 10.4432 10.4442 11.1812 11.1834 11.4104 11.4110 13.0368 13.0392 k = 0.4487 0.2591 0.4568 ( 6886 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2651 -22.2651 -22.0883 -22.0883 -21.8863 -21.8863 -21.6763 -21.6763 -21.6394 -21.6394 -21.6308 -21.6308 -6.0865 -6.0864 -5.6951 -5.6940 -5.3703 -5.3688 -4.9601 -4.9524 -4.7281 -4.7264 -4.6406 -4.6332 -3.6441 -3.6407 -3.5567 -3.5561 -2.9036 -2.8985 -2.7840 -2.7790 -2.6935 -2.6880 -2.4110 -2.4066 -2.2681 -2.2552 -2.1034 -2.0892 -1.9814 -1.9757 -1.9253 -1.9178 -1.7832 -1.7807 -1.5559 -1.5553 10.4236 10.4252 10.5202 10.5212 11.1025 11.1046 11.3276 11.3282 13.0388 13.0411 k = 0.4615 0.2665 0.4568 ( 6892 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2644 -22.2644 -22.0820 -22.0820 -21.8928 -21.8928 -21.6768 -21.6768 -21.6395 -21.6395 -21.6310 -21.6310 -6.0798 -6.0797 -5.6992 -5.6984 -5.3688 -5.3676 -4.9560 -4.9501 -4.7246 -4.7234 -4.6449 -4.6393 -3.6473 -3.6447 -3.5599 -3.5594 -2.9057 -2.9019 -2.7709 -2.7659 -2.6966 -2.6915 -2.4199 -2.4167 -2.2620 -2.2516 -2.1044 -2.0930 -1.9745 -1.9687 -1.9328 -1.9258 -1.7828 -1.7809 -1.5558 -1.5553 10.5003 10.5020 10.5941 10.5951 11.0244 11.0264 11.2499 11.2504 13.0421 13.0441 k = 0.4744 0.2739 0.4568 ( 6892 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2639 -22.2639 -22.0771 -22.0771 -21.8978 -21.8978 -21.6772 -21.6772 -21.6396 -21.6396 -21.6311 -21.6311 -6.0749 -6.0748 -5.7021 -5.7016 -5.3676 -5.3668 -4.9527 -4.9486 -4.7221 -4.7213 -4.6478 -4.6440 -3.6493 -3.6476 -3.5621 -3.5618 -2.9072 -2.9046 -2.7593 -2.7549 -2.6999 -2.6955 -2.4266 -2.4246 -2.2567 -2.2493 -2.1047 -2.0966 -1.9677 -1.9619 -1.9399 -1.9333 -1.7824 -1.7812 -1.5557 -1.5554 10.5737 10.5753 10.6619 10.6628 10.9484 10.9501 11.1812 11.1817 13.0462 13.0478 k = 0.4872 0.2813 0.4568 ( 6892 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2635 -22.2635 -22.0741 -22.0741 -21.9010 -21.9010 -21.6774 -21.6774 -21.6397 -21.6397 -21.6312 -21.6312 -6.0719 -6.0719 -5.7039 -5.7036 -5.3668 -5.3664 -4.9502 -4.9482 -4.7206 -4.7202 -4.6492 -4.6472 -3.6504 -3.6495 -3.5634 -3.5632 -2.9079 -2.9066 -2.7504 -2.7476 -2.7024 -2.6996 -2.4307 -2.4298 -2.2526 -2.2488 -2.1040 -2.0999 -1.9611 -1.9554 -1.9465 -1.9404 -1.7821 -1.7814 -1.5556 -1.5554 10.6359 10.6371 10.7182 10.7189 10.8792 10.8805 11.1302 11.1305 13.0501 13.0511 k = 0.5000 0.2887 0.4568 ( 6892 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2634 -22.2634 -22.0730 -22.0730 -21.9021 -21.9021 -21.6775 -21.6775 -21.6397 -21.6397 -21.6313 -21.6313 -6.0709 -6.0709 -5.7044 -5.7044 -5.3664 -5.3664 -4.9487 -4.9487 -4.7200 -4.7200 -4.6490 -4.6490 -3.6504 -3.6504 -3.5638 -3.5638 -2.9077 -2.9077 -2.7459 -2.7459 -2.7024 -2.7024 -2.4318 -2.4318 -2.2498 -2.2498 -2.1024 -2.1024 -1.9548 -1.9548 -1.9469 -1.9469 -1.7817 -1.7817 -1.5555 -1.5555 10.6642 10.6642 10.7481 10.7481 10.8418 10.8418 11.1104 11.1104 13.0522 13.0522 k = 0.5000 0.2887 0.4568 ( 6892 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2634 -22.2634 -22.0730 -22.0730 -21.9021 -21.9021 -21.6775 -21.6775 -21.6397 -21.6397 -21.6313 -21.6313 -6.0709 -6.0709 -5.7044 -5.7044 -5.3664 -5.3664 -4.9487 -4.9487 -4.7200 -4.7200 -4.6490 -4.6490 -3.6504 -3.6504 -3.5638 -3.5638 -2.9077 -2.9077 -2.7459 -2.7459 -2.7024 -2.7024 -2.4318 -2.4318 -2.2498 -2.2498 -2.1024 -2.1024 -1.9548 -1.9548 -1.9469 -1.9469 -1.7817 -1.7817 -1.5555 -1.5555 10.6642 10.6642 10.7481 10.7481 10.8418 10.8418 11.1104 11.1104 13.0522 13.0522 k = 0.4928 0.3012 0.4568 ( 6892 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2633 -22.2633 -22.0729 -22.0729 -21.9022 -21.9022 -21.6775 -21.6775 -21.6398 -21.6398 -21.6313 -21.6313 -6.0703 -6.0702 -5.7045 -5.7042 -5.3672 -5.3670 -4.9484 -4.9481 -4.7206 -4.7199 -4.6496 -4.6491 -3.6516 -3.6492 -3.5642 -3.5615 -2.9091 -2.9082 -2.7460 -2.7460 -2.7025 -2.7014 -2.4335 -2.4324 -2.2493 -2.2479 -2.1022 -2.1014 -1.9550 -1.9544 -1.9471 -1.9470 -1.7820 -1.7818 -1.5565 -1.5559 10.6649 10.6651 10.7490 10.7492 10.8429 10.8429 11.1113 11.1113 13.0493 13.0495 k = 0.4855 0.3138 0.4568 ( 6888 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2631 -22.2631 -22.0725 -22.0725 -21.9026 -21.9026 -21.6775 -21.6775 -21.6398 -21.6398 -21.6316 -21.6316 -6.0684 -6.0682 -5.7045 -5.7038 -5.3696 -5.3692 -4.9473 -4.9467 -4.7220 -4.7206 -4.6510 -4.6501 -3.6528 -3.6481 -3.5628 -3.5575 -2.9122 -2.9105 -2.7462 -2.7461 -2.7015 -2.6996 -2.4374 -2.4353 -2.2462 -2.2436 -2.1010 -2.0993 -1.9548 -1.9539 -1.9473 -1.9472 -1.7825 -1.7822 -1.5589 -1.5576 10.6672 10.6675 10.7519 10.7521 10.8463 10.8463 11.1140 11.1141 13.0408 13.0413 k = 0.4783 0.3263 0.4568 ( 6884 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2627 -22.2627 -22.0717 -22.0717 -21.9033 -21.9033 -21.6774 -21.6774 -21.6400 -21.6400 -21.6320 -21.6320 -6.0653 -6.0649 -5.7044 -5.7034 -5.3734 -5.3728 -4.9453 -4.9445 -4.7239 -4.7219 -4.6531 -4.6518 -3.6536 -3.6472 -3.5594 -3.5519 -2.9170 -2.9146 -2.7465 -2.7464 -2.6997 -2.6969 -2.4432 -2.4401 -2.2409 -2.2372 -2.0986 -2.0961 -1.9545 -1.9536 -1.9475 -1.9474 -1.7834 -1.7830 -1.5627 -1.5608 10.6711 10.6715 10.7567 10.7571 10.8519 10.8520 11.1185 11.1187 13.0271 13.0277 k = 0.4710 0.3389 0.4568 ( 6876 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2622 -22.2622 -22.0707 -22.0707 -21.9043 -21.9043 -21.6774 -21.6774 -21.6402 -21.6402 -21.6326 -21.6326 -6.0608 -6.0603 -5.7042 -5.7029 -5.3786 -5.3778 -4.9426 -4.9415 -4.7265 -4.7238 -4.6560 -4.6543 -3.6542 -3.6464 -3.5540 -3.5450 -2.9234 -2.9204 -2.7468 -2.7467 -2.6970 -2.6935 -2.4505 -2.4466 -2.2338 -2.2291 -2.0952 -2.0919 -1.9542 -1.9537 -1.9478 -1.9468 -1.7845 -1.7840 -1.5679 -1.5653 10.6765 10.6771 10.7634 10.7639 10.8597 10.8598 11.1248 11.1250 13.0083 13.0091 k = 0.4638 0.3514 0.4568 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2615 -22.2615 -22.0694 -22.0694 -21.9055 -21.9055 -21.6774 -21.6774 -21.6404 -21.6404 -21.6333 -21.6332 -6.0551 -6.0545 -5.7040 -5.7024 -5.3851 -5.3841 -4.9392 -4.9378 -4.7297 -4.7264 -4.6595 -4.6574 -3.6544 -3.6459 -3.5468 -3.5368 -2.9313 -2.9279 -2.7471 -2.7470 -2.6936 -2.6896 -2.4589 -2.4544 -2.2252 -2.2197 -2.0910 -2.0867 -1.9547 -1.9542 -1.9476 -1.9453 -1.7860 -1.7853 -1.5743 -1.5711 10.6834 10.6841 10.7721 10.7728 10.8697 10.8698 11.1329 11.1332 12.9740 12.9741 k = 0.4565 0.3640 0.4568 ( 6888 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2607 -22.2607 -22.0678 -22.0678 -21.9071 -21.9070 -21.6773 -21.6773 -21.6407 -21.6407 -21.6341 -21.6341 -6.0483 -6.0475 -5.7039 -5.7019 -5.3927 -5.3915 -4.9352 -4.9335 -4.7334 -4.7295 -4.6637 -4.6612 -3.6542 -3.6454 -3.5380 -3.5274 -2.9406 -2.9369 -2.7474 -2.7472 -2.6896 -2.6851 -2.4681 -2.4632 -2.2155 -2.2094 -2.0858 -2.0808 -1.9563 -1.9549 -1.9466 -1.9430 -1.7878 -1.7869 -1.5820 -1.5782 10.6918 10.6927 10.7828 10.7836 10.8817 10.8818 11.1427 11.1430 12.9229 12.9231 k = 0.4493 0.3765 0.4568 ( 6882 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2598 -22.2598 -22.0659 -22.0659 -21.9089 -21.9089 -21.6773 -21.6773 -21.6410 -21.6410 -21.6350 -21.6350 -6.0402 -6.0393 -5.7037 -5.7014 -5.4013 -5.3998 -4.9306 -4.9287 -4.7376 -4.7331 -4.6684 -4.6656 -3.6537 -3.6449 -3.5276 -3.5169 -2.9512 -2.9473 -2.7474 -2.7472 -2.6851 -2.6803 -2.4779 -2.4725 -2.2050 -2.1983 -2.0800 -2.0741 -1.9584 -1.9564 -1.9446 -1.9401 -1.7898 -1.7888 -1.5909 -1.5865 10.7017 10.7027 10.7955 10.7964 10.8957 10.8958 11.1542 11.1545 12.8645 12.8646 k = 0.4420 0.3891 0.4568 ( 6882 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2588 -22.2588 -22.0636 -22.0636 -21.9110 -21.9110 -21.6773 -21.6773 -21.6413 -21.6413 -21.6360 -21.6360 -6.0310 -6.0299 -5.7038 -5.7011 -5.4106 -5.4090 -4.9256 -4.9234 -4.7423 -4.7372 -4.6736 -4.6705 -3.6528 -3.6444 -3.5159 -3.5054 -2.9629 -2.9591 -2.7473 -2.7469 -2.6801 -2.6753 -2.4880 -2.4823 -2.1940 -2.1869 -2.0736 -2.0669 -1.9608 -1.9584 -1.9419 -1.9366 -1.7921 -1.7909 -1.6009 -1.5958 10.7131 10.7142 10.8102 10.8111 10.9114 10.9116 11.1673 11.1677 12.7995 12.7997 k = 0.4348 0.4016 0.4568 ( 6886 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2578 -22.2578 -22.0610 -22.0610 -21.9135 -21.9135 -21.6772 -21.6772 -21.6417 -21.6417 -21.6371 -21.6371 -6.0207 -6.0196 -5.7041 -5.7011 -5.4207 -5.4188 -4.9202 -4.9177 -4.7473 -4.7417 -4.6792 -4.6759 -3.6517 -3.6439 -3.5029 -3.4929 -2.9758 -2.9721 -2.7469 -2.7463 -2.6750 -2.6701 -2.4984 -2.4924 -2.1827 -2.1752 -2.0668 -2.0593 -1.9635 -1.9607 -1.9385 -1.9325 -1.7946 -1.7933 -1.6118 -1.6063 10.7259 10.7270 10.8268 10.8278 10.9287 10.9290 11.1820 11.1824 12.7288 12.7290 k = 0.4275 0.4142 0.4568 ( 6882 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2566 -22.2566 -22.0581 -22.0581 -21.9163 -21.9163 -21.6772 -21.6772 -21.6421 -21.6421 -21.6382 -21.6382 -6.0094 -6.0081 -5.7047 -5.7014 -5.4311 -5.4291 -4.9144 -4.9117 -4.7527 -4.7466 -4.6852 -4.6816 -3.6503 -3.6433 -3.4887 -3.4795 -2.9898 -2.9863 -2.7460 -2.7452 -2.6696 -2.6649 -2.5088 -2.5026 -2.1712 -2.1634 -2.0598 -2.0515 -1.9665 -1.9634 -1.9344 -1.9278 -1.7974 -1.7958 -1.6237 -1.6176 10.7401 10.7413 10.8454 10.8464 10.9474 10.9477 11.1982 11.1987 12.6532 12.6534 k = 0.4203 0.4267 0.4568 ( 6898 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2555 -22.2555 -22.0549 -22.0549 -21.9195 -21.9195 -21.6772 -21.6772 -21.6426 -21.6426 -21.6393 -21.6393 -5.9972 -5.9958 -5.7058 -5.7022 -5.4418 -5.4395 -4.9084 -4.9054 -4.7583 -4.7518 -4.6914 -4.6876 -3.6489 -3.6428 -3.4735 -3.4652 -3.0047 -3.0015 -2.7447 -2.7437 -2.6642 -2.6597 -2.5192 -2.5129 -2.1597 -2.1517 -2.0526 -2.0436 -1.9697 -1.9663 -1.9296 -1.9226 -1.8003 -1.7985 -1.6364 -1.6298 10.7556 10.7569 10.8659 10.8670 10.9672 10.9675 11.2160 11.2165 12.5735 12.5737 k = 0.4130 0.4393 0.4568 ( 6900 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2543 -22.2543 -22.0512 -22.0512 -21.9230 -21.9230 -21.6772 -21.6772 -21.6430 -21.6430 -21.6404 -21.6404 -5.9841 -5.9825 -5.7076 -5.7037 -5.4524 -5.4500 -4.9022 -4.8990 -4.7641 -4.7572 -4.6978 -4.6938 -3.6475 -3.6422 -3.4574 -3.4500 -3.0205 -3.0177 -2.7428 -2.7415 -2.6589 -2.6546 -2.5296 -2.5232 -2.1484 -2.1402 -2.0455 -2.0359 -1.9730 -1.9694 -1.9241 -1.9168 -1.8034 -1.8013 -1.6498 -1.6427 10.7725 10.7739 10.8883 10.8894 10.9876 10.9880 11.2352 11.2358 12.4904 12.4906 k = 0.4058 0.4518 0.4568 ( 6896 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1462 -97.1462 -22.2531 -22.2531 -22.0473 -22.0473 -21.9269 -21.9269 -21.6773 -21.6773 -21.6435 -21.6435 -21.6415 -21.6415 -5.9702 -5.9684 -5.7102 -5.7061 -5.4627 -5.4603 -4.8959 -4.8924 -4.7701 -4.7628 -4.7042 -4.7001 -3.6461 -3.6417 -3.4404 -3.4340 -3.0372 -3.0348 -2.7402 -2.7386 -2.6537 -2.6498 -2.5398 -2.5333 -2.1373 -2.1291 -2.0386 -2.0286 -1.9763 -1.9725 -1.9178 -1.9104 -1.8065 -1.8041 -1.6636 -1.6562 10.7908 10.7922 10.9125 10.9136 11.0082 11.0086 11.2559 11.2565 12.4046 12.4048 k = 0.3986 0.4644 0.4568 ( 6900 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2519 -22.2519 -22.0429 -22.0429 -21.9311 -21.9311 -21.6773 -21.6773 -21.6439 -21.6439 -21.6425 -21.6425 -5.9555 -5.9537 -5.7137 -5.7094 -5.4726 -5.4701 -4.8894 -4.8856 -4.7761 -4.7685 -4.7106 -4.7064 -3.6448 -3.6412 -3.4226 -3.4173 -3.0546 -3.0528 -2.7370 -2.7350 -2.6488 -2.6454 -2.5498 -2.5434 -2.1267 -2.1185 -2.0321 -2.0216 -1.9797 -1.9758 -1.9107 -1.9034 -1.8096 -1.8069 -1.6779 -1.6701 10.8104 10.8118 10.9383 10.9395 11.0283 11.0288 11.2782 11.2789 12.3167 12.3169 k = 0.3913 0.4769 0.4568 ( 6904 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2508 -22.2508 -22.0382 -22.0382 -21.9358 -21.9358 -21.6774 -21.6774 -21.6444 -21.6444 -21.6434 -21.6434 -5.9403 -5.9382 -5.7184 -5.7140 -5.4817 -5.4792 -4.8829 -4.8789 -4.7821 -4.7744 -4.7168 -4.7125 -3.6436 -3.6408 -3.4041 -3.3998 -3.0728 -3.0715 -2.7331 -2.7306 -2.6444 -2.6415 -2.5595 -2.5532 -2.1165 -2.1085 -2.0260 -2.0153 -1.9829 -1.9789 -1.9031 -1.8961 -1.8126 -1.8095 -1.6925 -1.6844 10.8313 10.8327 10.9658 10.9669 11.0472 11.0478 11.3022 11.3030 12.2274 12.2276 k = 0.3841 0.4895 0.4568 ( 6902 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2498 -22.2498 -22.0331 -22.0331 -21.9408 -21.9408 -21.6775 -21.6775 -21.6448 -21.6448 -21.6443 -21.6443 -5.9244 -5.9223 -5.7245 -5.7200 -5.4898 -5.4874 -4.8764 -4.8720 -4.7881 -4.7803 -4.7228 -4.7185 -3.6427 -3.6406 -3.3850 -3.3817 -3.0916 -3.0909 -2.7284 -2.7254 -2.6406 -2.6384 -2.5686 -2.5628 -2.1070 -2.0992 -2.0206 -2.0096 -1.9858 -1.9819 -1.8950 -1.8886 -1.8153 -1.8118 -1.7071 -1.6988 10.8535 10.8549 10.9945 10.9956 11.0639 11.0647 11.3282 11.3291 12.1372 12.1374 k = 0.3768 0.5020 0.4568 ( 6898 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2489 -22.2489 -22.0277 -22.0277 -21.9462 -21.9462 -21.6777 -21.6777 -21.6452 -21.6452 -21.6450 -21.6450 -5.9082 -5.9059 -5.7320 -5.7275 -5.4968 -5.4946 -4.8698 -4.8652 -4.7940 -4.7862 -4.7283 -4.7241 -3.6419 -3.6404 -3.3653 -3.3629 -3.1110 -3.1108 -2.7229 -2.7194 -2.6378 -2.6366 -2.5770 -2.5718 -2.0984 -2.0910 -2.0158 -2.0045 -1.9883 -1.9846 -1.8867 -1.8811 -1.8175 -1.8134 -1.7216 -1.7132 10.8770 10.8784 11.0244 11.0254 11.0775 11.0783 11.3564 11.3573 12.0469 12.0471 k = 0.3696 0.5146 0.4568 ( 6898 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2480 -22.2480 -22.0218 -22.0218 -21.9521 -21.9521 -21.6778 -21.6778 -21.6456 -21.6456 -21.6456 -21.6456 -5.8917 -5.8893 -5.7410 -5.7367 -5.5026 -5.5006 -4.8634 -4.8584 -4.7997 -4.7922 -4.7332 -4.7293 -3.6414 -3.6403 -3.3452 -3.3437 -3.1313 -3.1308 -2.7165 -2.7125 -2.6364 -2.6364 -2.5842 -2.5799 -2.0906 -2.0840 -2.0120 -2.0002 -1.9901 -1.9868 -1.8786 -1.8741 -1.8189 -1.8140 -1.7358 -1.7275 10.9018 10.9032 11.0548 11.0558 11.0868 11.0878 11.3869 11.3879 11.9571 11.9575 k = 0.3623 0.5271 0.4568 ( 6890 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2473 -22.2473 -22.0156 -22.0156 -21.9583 -21.9583 -21.6780 -21.6779 -21.6461 -21.6460 -21.6459 -21.6459 -5.8749 -5.8724 -5.7515 -5.7474 -5.5070 -5.5054 -4.8571 -4.8517 -4.8052 -4.7983 -4.7374 -4.7340 -3.6411 -3.6404 -3.3247 -3.3239 -3.1521 -3.1510 -2.7094 -2.7048 -2.6386 -2.6370 -2.5896 -2.5865 -2.0840 -2.0783 -2.0091 -1.9967 -1.9911 -1.9885 -1.8713 -1.8681 -1.8188 -1.8131 -1.7495 -1.7414 10.9277 10.9291 11.0852 11.0859 11.0911 11.0920 11.4201 11.4211 11.8690 11.8694 k = 0.3551 0.5397 0.4568 ( 6888 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2467 -22.2467 -22.0089 -22.0089 -21.9649 -21.9649 -21.6781 -21.6781 -21.6464 -21.6464 -21.6462 -21.6462 -5.8580 -5.8554 -5.7636 -5.7597 -5.5103 -5.5090 -4.8511 -4.8451 -4.8104 -4.8043 -4.7408 -4.7379 -3.6409 -3.6405 -3.3040 -3.3039 -3.1732 -3.1714 -2.7014 -2.6962 -2.6435 -2.6404 -2.5929 -2.5912 -2.0787 -2.0741 -2.0072 -1.9939 -1.9913 -1.9896 -1.8655 -1.8636 -1.8167 -1.8102 -1.7625 -1.7548 10.9548 10.9561 11.0887 11.0898 11.1145 11.1153 11.4560 11.4570 11.7840 11.7844 k = 0.3478 0.5522 0.4568 ( 6892 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2463 -22.2463 -22.0020 -22.0020 -21.9718 -21.9718 -21.6782 -21.6782 -21.6466 -21.6466 -21.6464 -21.6464 -5.8411 -5.8384 -5.7771 -5.7734 -5.5123 -5.5115 -4.8456 -4.8387 -4.8150 -4.8104 -4.7431 -4.7411 -3.6408 -3.6406 -3.2838 -3.2835 -3.1942 -3.1916 -2.6927 -2.6868 -2.6507 -2.6466 -2.5946 -2.5939 -2.0747 -2.0714 -2.0060 -1.9919 -1.9909 -1.9901 -1.8618 -1.8609 -1.8122 -1.8051 -1.7745 -1.7675 10.9828 10.9841 11.0797 11.0809 11.1405 11.1411 11.4945 11.4955 11.7043 11.7049 k = 0.3406 0.5648 0.4568 ( 6888 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2461 -22.2461 -21.9946 -21.9946 -21.9792 -21.9792 -21.6783 -21.6783 -21.6467 -21.6467 -21.6466 -21.6466 -5.8243 -5.8216 -5.7918 -5.7882 -5.5134 -5.5129 -4.8414 -4.8329 -4.8186 -4.8162 -4.7444 -4.7433 -3.6408 -3.6408 -3.2645 -3.2642 -3.2143 -3.2105 -2.6835 -2.6766 -2.6594 -2.6551 -2.5952 -2.5950 -2.0720 -2.0703 -2.0054 -1.9908 -1.9904 -1.9901 -1.8599 -1.8596 -1.8058 -1.7980 -1.7848 -1.7791 11.0115 11.0127 11.0635 11.0648 11.1600 11.1603 11.5355 11.5366 11.6339 11.6347 k = 0.3333 0.5774 0.4568 ( 6888 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2460 -22.2460 -21.9869 -21.9869 -21.9869 -21.9869 -21.6783 -21.6783 -21.6467 -21.6467 -21.6467 -21.6467 -5.8078 -5.8078 -5.8076 -5.8016 -5.5136 -5.5136 -4.8396 -4.8297 -4.8198 -4.8198 -4.7444 -4.7444 -3.6408 -3.6408 -3.2529 -3.2529 -3.2265 -3.2214 -2.6771 -2.6660 -2.6660 -2.6651 -2.5953 -2.5953 -2.0705 -2.0705 -2.0052 -1.9905 -1.9901 -1.9901 -1.8594 -1.8594 -1.8010 -1.7904 -1.7904 -1.7887 11.0382 11.0382 11.0414 11.0439 11.1677 11.1677 11.5770 11.5792 11.5808 11.5808 k = 0.3333 0.5774 0.4568 ( 6888 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2460 -22.2460 -21.9869 -21.9869 -21.9869 -21.9869 -21.6783 -21.6783 -21.6467 -21.6467 -21.6467 -21.6467 -5.8078 -5.8078 -5.8076 -5.8016 -5.5136 -5.5136 -4.8396 -4.8297 -4.8198 -4.8198 -4.7444 -4.7444 -3.6408 -3.6408 -3.2529 -3.2529 -3.2265 -3.2214 -2.6771 -2.6660 -2.6660 -2.6651 -2.5953 -2.5953 -2.0705 -2.0705 -2.0052 -1.9905 -1.9901 -1.9901 -1.8594 -1.8594 -1.8010 -1.7904 -1.7904 -1.7887 11.0382 11.0382 11.0414 11.0439 11.1677 11.1677 11.5770 11.5792 11.5808 11.5808 k = 0.3259 0.5645 0.4568 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2461 -22.2461 -21.9951 -21.9951 -21.9787 -21.9787 -21.6783 -21.6783 -21.6467 -21.6467 -21.6466 -21.6466 -5.8249 -5.8224 -5.7910 -5.7876 -5.5134 -5.5130 -4.8413 -4.8332 -4.8177 -4.8169 -4.7444 -4.7431 -3.6408 -3.6408 -3.2657 -3.2638 -3.2141 -3.2099 -2.6847 -2.6775 -2.6587 -2.6535 -2.5953 -2.5952 -2.0720 -2.0701 -2.0055 -1.9908 -1.9904 -1.9903 -1.8597 -1.8595 -1.8053 -1.7987 -1.7840 -1.7798 11.0081 11.0093 11.0644 11.0656 11.1597 11.1602 11.5463 11.5477 11.6254 11.6265 k = 0.3185 0.5517 0.4568 ( 6876 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2464 -22.2464 -22.0037 -22.0037 -21.9701 -21.9701 -21.6782 -21.6782 -21.6467 -21.6467 -21.6463 -21.6463 -5.8429 -5.8407 -5.7747 -5.7714 -5.5126 -5.5117 -4.8453 -4.8396 -4.8137 -4.8116 -4.7431 -4.7405 -3.6405 -3.6405 -3.2861 -3.2830 -3.1938 -3.1900 -2.6970 -2.6904 -2.6469 -2.6407 -2.5953 -2.5951 -2.0746 -2.0707 -2.0064 -1.9922 -1.9911 -1.9910 -1.8602 -1.8600 -1.8109 -1.8060 -1.7738 -1.7696 10.9693 10.9705 11.0660 11.0668 11.1515 11.1525 11.5408 11.5424 11.6739 11.6750 k = 0.3111 0.5389 0.4568 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2468 -22.2468 -22.0126 -22.0126 -21.9612 -21.9612 -21.6780 -21.6780 -21.6465 -21.6465 -21.6460 -21.6460 -5.8617 -5.8596 -5.7589 -5.7557 -5.5114 -5.5100 -4.8503 -4.8465 -4.8091 -4.8062 -4.7404 -4.7366 -3.6400 -3.6400 -3.3071 -3.3034 -3.1725 -3.1686 -2.7104 -2.7043 -2.6340 -2.6273 -2.5957 -2.5951 -2.0782 -2.0722 -2.0083 -1.9944 -1.9927 -1.9924 -1.8607 -1.8604 -1.8147 -1.8114 -1.7630 -1.7591 10.9239 10.9251 11.0229 11.0234 11.1698 11.1710 11.5576 11.5593 11.7240 11.7252 k = 0.3037 0.5260 0.4568 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2475 -22.2475 -22.0217 -22.0217 -21.9520 -21.9520 -21.6777 -21.6777 -21.6463 -21.6463 -21.6456 -21.6456 -5.8811 -5.8792 -5.7437 -5.7404 -5.5097 -5.5080 -4.8559 -4.8537 -4.8045 -4.8010 -4.7364 -4.7313 -3.6392 -3.6390 -3.3279 -3.3237 -3.1511 -3.1471 -2.7246 -2.7188 -2.6202 -2.6133 -2.5963 -2.5954 -2.0827 -2.0745 -2.0110 -1.9973 -1.9949 -1.9944 -1.8609 -1.8606 -1.8166 -1.8148 -1.7521 -1.7485 10.8726 10.8739 10.9554 10.9559 11.2016 11.2029 11.5891 11.5908 11.7755 11.7767 k = 0.2963 0.5132 0.4568 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2483 -22.2483 -22.0312 -22.0312 -21.9425 -21.9425 -21.6774 -21.6774 -21.6460 -21.6460 -21.6452 -21.6452 -5.9009 -5.8992 -5.7290 -5.7258 -5.5077 -5.5056 -4.8617 -4.8610 -4.8002 -4.7963 -4.7310 -4.7247 -3.6379 -3.6376 -3.3482 -3.3435 -3.1296 -3.1256 -2.7394 -2.7339 -2.6061 -2.6002 -2.5970 -2.5945 -2.0882 -2.0777 -2.0146 -2.0009 -1.9978 -1.9972 -1.8609 -1.8606 -1.8167 -1.8163 -1.7411 -1.7379 10.8163 10.8175 10.8780 10.8785 11.2380 11.2393 11.6300 11.6316 11.8282 11.8295 k = 0.2889 0.5004 0.4568 ( 6884 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2494 -22.2494 -22.0408 -22.0408 -21.9328 -21.9328 -21.6769 -21.6769 -21.6456 -21.6456 -21.6447 -21.6447 -5.9210 -5.9196 -5.7150 -5.7118 -5.5055 -5.5030 -4.8684 -4.8677 -4.7963 -4.7921 -4.7243 -4.7169 -3.6360 -3.6357 -3.3677 -3.3626 -3.1084 -3.1044 -2.7548 -2.7496 -2.5997 -2.5983 -2.5896 -2.5823 -2.0946 -2.0819 -2.0189 -2.0050 -2.0011 -2.0005 -1.8604 -1.8603 -1.8161 -1.8152 -1.7303 -1.7274 10.7555 10.7568 10.7961 10.7966 11.2768 11.2780 11.6770 11.6786 11.8818 11.8831 k = 0.2815 0.4875 0.4568 ( 6888 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2506 -22.2506 -22.0507 -22.0507 -21.9228 -21.9228 -21.6764 -21.6764 -21.6451 -21.6451 -21.6442 -21.6441 -5.9415 -5.9402 -5.7016 -5.6986 -5.5031 -5.5003 -4.8759 -4.8739 -4.7932 -4.7886 -4.7164 -4.7078 -3.6335 -3.6331 -3.3863 -3.3809 -3.0875 -3.0835 -2.7706 -2.7657 -2.6012 -2.5996 -2.5742 -2.5668 -2.1019 -2.0872 -2.0236 -2.0096 -2.0047 -2.0040 -1.8596 -1.8596 -1.8144 -1.8123 -1.7197 -1.7171 10.6912 10.6924 10.7121 10.7126 11.3172 11.3184 11.7284 11.7299 11.9360 11.9374 k = 0.2741 0.4747 0.4568 ( 6900 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1462 -97.1462 -22.2520 -22.2520 -22.0608 -22.0608 -21.9126 -21.9126 -21.6758 -21.6758 -21.6445 -21.6445 -21.6436 -21.6436 -5.9621 -5.9610 -5.6889 -5.6860 -5.5006 -5.4974 -4.8835 -4.8802 -4.7908 -4.7859 -4.7073 -4.6977 -3.6302 -3.6298 -3.4036 -3.3979 -3.0669 -3.0631 -2.7868 -2.7823 -2.6033 -2.6015 -2.5580 -2.5508 -2.1102 -2.0938 -2.0284 -2.0147 -2.0086 -2.0075 -1.8584 -1.8584 -1.8114 -1.8084 -1.7094 -1.7071 10.6238 10.6248 10.6274 10.6280 11.3591 11.3603 11.7830 11.7845 11.9906 11.9920 k = 0.2667 0.4619 0.4568 ( 6908 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2536 -22.2536 -22.0710 -22.0710 -21.9023 -21.9023 -21.6751 -21.6751 -21.6438 -21.6438 -21.6429 -21.6429 -5.9828 -5.9818 -5.6769 -5.6740 -5.4980 -5.4945 -4.8911 -4.8867 -4.7894 -4.7841 -4.6971 -4.6866 -3.6261 -3.6256 -3.4196 -3.4137 -3.0468 -3.0433 -2.8034 -2.7991 -2.6059 -2.6039 -2.5413 -2.5344 -2.1193 -2.1017 -2.0333 -2.0204 -2.0125 -2.0107 -1.8569 -1.8569 -1.8073 -1.8036 -1.6995 -1.6973 10.5426 10.5430 10.5543 10.5554 11.4023 11.4034 11.8402 11.8417 12.0454 12.0469 k = 0.2593 0.4491 0.4568 ( 6908 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2553 -22.2553 -22.0813 -22.0813 -21.8917 -21.8917 -21.6743 -21.6743 -21.6431 -21.6431 -21.6423 -21.6423 -6.0036 -6.0027 -5.6654 -5.6628 -5.4954 -5.4916 -4.8988 -4.8933 -4.7889 -4.7833 -4.6860 -4.6746 -3.6211 -3.6205 -3.4340 -3.4280 -3.0272 -3.0239 -2.8201 -2.8161 -2.6089 -2.6066 -2.5243 -2.5177 -2.1293 -2.1108 -2.0383 -2.0265 -2.0163 -2.0136 -1.8550 -1.8550 -1.8025 -1.7981 -1.6898 -1.6878 10.4585 10.4588 10.4828 10.4839 11.4466 11.4477 11.8997 11.9012 12.1001 12.1016 k = 0.2519 0.4362 0.4568 ( 6904 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2572 -22.2572 -22.0917 -22.0917 -21.8811 -21.8811 -21.6734 -21.6734 -21.6422 -21.6422 -21.6416 -21.6416 -6.0243 -6.0236 -5.6545 -5.6521 -5.4928 -5.4887 -4.9066 -4.9001 -4.7896 -4.7836 -4.6741 -4.6619 -3.6150 -3.6145 -3.4467 -3.4406 -3.0082 -3.0053 -2.8370 -2.8333 -2.6122 -2.6097 -2.5071 -2.5010 -2.1398 -2.1209 -2.0434 -2.0331 -2.0198 -2.0163 -1.8527 -1.8527 -1.7969 -1.7921 -1.6805 -1.6786 10.3751 10.3755 10.4100 10.4111 11.4920 11.4930 11.9611 11.9625 12.1545 12.1561 k = 0.2444 0.4234 0.4568 ( 6904 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2592 -22.2592 -22.1022 -22.1022 -21.8703 -21.8703 -21.6725 -21.6725 -21.6412 -21.6412 -21.6410 -21.6410 -6.0450 -6.0444 -5.6441 -5.6419 -5.4901 -5.4857 -4.9144 -4.9070 -4.7916 -4.7852 -4.6616 -4.6487 -3.6078 -3.6073 -3.4575 -3.4514 -2.9897 -2.9873 -2.8540 -2.8506 -2.6159 -2.6132 -2.4897 -2.4844 -2.1509 -2.1317 -2.0487 -2.0399 -2.0230 -2.0188 -1.8502 -1.8501 -1.7909 -1.7858 -1.6716 -1.6698 10.2929 10.2933 10.3363 10.3373 11.5383 11.5393 12.0241 12.0255 12.2084 12.2100 k = 0.2370 0.4106 0.4568 ( 6904 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2614 -22.2613 -22.1127 -22.1127 -21.8595 -21.8595 -21.6715 -21.6715 -21.6403 -21.6403 -21.6402 -21.6402 -6.0656 -6.0651 -5.6342 -5.6322 -5.4875 -5.4828 -4.9224 -4.9140 -4.7948 -4.7882 -4.6486 -4.6349 -3.5994 -3.5991 -3.4663 -3.4602 -2.9720 -2.9700 -2.8711 -2.8679 -2.6199 -2.6171 -2.4724 -2.4679 -2.1624 -2.1432 -2.0543 -2.0469 -2.0260 -2.0212 -1.8474 -1.8473 -1.7844 -1.7792 -1.6631 -1.6612 10.2120 10.2123 10.2621 10.2631 11.5855 11.5864 12.0885 12.0899 12.2615 12.2632 k = 0.2296 0.3977 0.4568 ( 6884 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2636 -22.2636 -22.1232 -22.1232 -21.8486 -21.8486 -21.6704 -21.6704 -21.6396 -21.6396 -21.6391 -21.6391 -6.0860 -6.0856 -5.6247 -5.6230 -5.4848 -5.4798 -4.9304 -4.9212 -4.7994 -4.7924 -4.6353 -4.6209 -3.5898 -3.5896 -3.4730 -3.4668 -2.9549 -2.9534 -2.8880 -2.8850 -2.6242 -2.6213 -2.4554 -2.4518 -2.1741 -2.1550 -2.0601 -2.0539 -2.0289 -2.0237 -1.8443 -1.8441 -1.7777 -1.7723 -1.6549 -1.6531 10.1325 10.1328 10.1877 10.1886 11.6334 11.6343 12.1542 12.1556 12.3137 12.3154 k = 0.2222 0.3849 0.4568 ( 6884 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2660 -22.2660 -22.1337 -22.1337 -21.8377 -21.8377 -21.6693 -21.6693 -21.6389 -21.6389 -21.6379 -21.6379 -6.1062 -6.1059 -5.6155 -5.6141 -5.4821 -5.4769 -4.9385 -4.9286 -4.8055 -4.7982 -4.6217 -4.6068 -3.5790 -3.5790 -3.4774 -3.4714 -2.9385 -2.9375 -2.9048 -2.9020 -2.6288 -2.6258 -2.4387 -2.4362 -2.1859 -2.1670 -2.0660 -2.0610 -2.0319 -2.0264 -1.8409 -1.8406 -1.7706 -1.7653 -1.6471 -1.6452 10.0546 10.0549 10.1134 10.1143 11.6820 11.6828 12.2210 12.2224 12.3647 12.3665 k = 0.2148 0.3721 0.4568 ( 6886 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2684 -22.2684 -22.1441 -22.1441 -21.8268 -21.8268 -21.6682 -21.6681 -21.6382 -21.6382 -21.6367 -21.6367 -6.1262 -6.1259 -5.6066 -5.6055 -5.4794 -5.4739 -4.9468 -4.9362 -4.8130 -4.8054 -4.6082 -4.5926 -3.5671 -3.5669 -3.4796 -3.4736 -2.9244 -2.9230 -2.9208 -2.9171 -2.6337 -2.6307 -2.4225 -2.4212 -2.1978 -2.1791 -2.0719 -2.0679 -2.0350 -2.0294 -1.8373 -1.8367 -1.7634 -1.7581 -1.6397 -1.6377 9.9784 9.9787 10.0396 10.0404 11.7310 11.7318 12.2886 12.2900 12.4145 12.4164 k = 0.2074 0.3592 0.4568 ( 6884 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2710 -22.2710 -22.1545 -22.1545 -21.8160 -21.8160 -21.6669 -21.6669 -21.6376 -21.6376 -21.6353 -21.6353 -6.1459 -6.1457 -5.5979 -5.5971 -5.4767 -5.4710 -4.9553 -4.9440 -4.8219 -4.8140 -4.5946 -4.5786 -3.5540 -3.5536 -3.4794 -3.4736 -2.9378 -2.9361 -2.9079 -2.9070 -2.6389 -2.6358 -2.4072 -2.4072 -2.2096 -2.1912 -2.0776 -2.0747 -2.0385 -2.0328 -1.8332 -1.8326 -1.7561 -1.7509 -1.6326 -1.6305 9.9039 9.9043 9.9664 9.9672 11.7803 11.7811 12.3569 12.3583 12.4629 12.4648 k = 0.2000 0.3464 0.4568 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2736 -22.2736 -22.1647 -22.1647 -21.8052 -21.8052 -21.6657 -21.6657 -21.6369 -21.6369 -21.6340 -21.6340 -6.1653 -6.1652 -5.5894 -5.5889 -5.4740 -5.4679 -4.9640 -4.9521 -4.8323 -4.8240 -4.5812 -4.5648 -3.5397 -3.5390 -3.4769 -3.4713 -2.9538 -2.9521 -2.8943 -2.8927 -2.6443 -2.6413 -2.3943 -2.3928 -2.2212 -2.2031 -2.0831 -2.0812 -2.0424 -2.0367 -1.8288 -1.8280 -1.7487 -1.7437 -1.6259 -1.6237 9.8313 9.8317 9.8941 9.8949 11.8298 11.8305 12.4255 12.4269 12.5098 12.5117 k = 0.1926 0.3336 0.4568 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2762 -22.2762 -22.1748 -22.1748 -21.7945 -21.7945 -21.6644 -21.6644 -21.6363 -21.6363 -21.6326 -21.6326 -6.1844 -6.1843 -5.5809 -5.5808 -5.4712 -5.4649 -4.9728 -4.9604 -4.8441 -4.8355 -4.5681 -4.5512 -3.5241 -3.5233 -3.4721 -3.4668 -2.9695 -2.9680 -2.8813 -2.8791 -2.6500 -2.6470 -2.3827 -2.3797 -2.2326 -2.2148 -2.0882 -2.0873 -2.0468 -2.0410 -1.8240 -1.8230 -1.7412 -1.7364 -1.6196 -1.6171 9.7607 9.7610 9.8230 9.8237 11.8791 11.8797 12.4942 12.4955 12.5551 12.5570 k = 0.1852 0.3208 0.4568 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2789 -22.2789 -22.1847 -22.1847 -21.7839 -21.7839 -21.6631 -21.6631 -21.6356 -21.6356 -21.6311 -21.6311 -6.2031 -6.2030 -5.5727 -5.5725 -5.4683 -5.4618 -4.9818 -4.9690 -4.8571 -4.8482 -4.5553 -4.5381 -3.5075 -3.5064 -3.4652 -3.4601 -2.9847 -2.9834 -2.8690 -2.8660 -2.6559 -2.6530 -2.3726 -2.3680 -2.2437 -2.2263 -2.0930 -2.0929 -2.0517 -2.0460 -1.8187 -1.8175 -1.7337 -1.7292 -1.6136 -1.6109 9.6921 9.6924 9.7531 9.7538 11.9281 11.9286 12.5623 12.5636 12.5986 12.6005 k = 0.1778 0.3079 0.4568 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2816 -22.2816 -22.1944 -22.1944 -21.7735 -21.7735 -21.6618 -21.6618 -21.6350 -21.6350 -21.6296 -21.6296 -6.2213 -6.2213 -5.5646 -5.5640 -5.4653 -5.4585 -4.9911 -4.9779 -4.8713 -4.8621 -4.5428 -4.5254 -3.4898 -3.4884 -3.4561 -3.4513 -2.9994 -2.9984 -2.8575 -2.8536 -2.6619 -2.6592 -2.3641 -2.3580 -2.2545 -2.2374 -2.0979 -2.0973 -2.0571 -2.0516 -1.8128 -1.8114 -1.7262 -1.7220 -1.6079 -1.6049 9.6256 9.6259 9.6847 9.6854 11.9764 11.9769 12.6291 12.6305 12.6405 12.6422 k = 0.1704 0.2951 0.4568 ( 6888 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.2844 -22.2843 -22.2040 -22.2040 -21.7633 -21.7633 -21.6605 -21.6605 -21.6345 -21.6345 -21.6281 -21.6281 -6.2392 -6.2391 -5.5564 -5.5555 -5.4622 -5.4552 -5.0006 -4.9871 -4.8866 -4.8771 -4.5308 -4.5133 -3.4711 -3.4696 -3.4449 -3.4405 -3.0137 -3.0129 -2.8465 -2.8418 -2.6681 -2.6655 -2.3575 -2.3498 -2.2648 -2.2482 -2.1024 -2.1012 -2.0632 -2.0578 -1.8065 -1.8049 -1.7188 -1.7148 -1.6025 -1.5993 9.5612 9.5615 9.6180 9.6187 12.0237 12.0241 12.6799 12.6821 12.6943 12.6952 k = 0.1630 0.2823 0.4568 ( 6888 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.2871 -22.2871 -22.2133 -22.2133 -21.7533 -21.7533 -21.6592 -21.6592 -21.6339 -21.6339 -21.6266 -21.6266 -6.2565 -6.2565 -5.5481 -5.5468 -5.4590 -5.4518 -5.0104 -4.9965 -4.9028 -4.8931 -4.5192 -4.5017 -3.4516 -3.4499 -3.4319 -3.4279 -3.0274 -3.0268 -2.8362 -2.8307 -2.6743 -2.6719 -2.3526 -2.3437 -2.2747 -2.2585 -2.1061 -2.1047 -2.0697 -2.0647 -1.7996 -1.7977 -1.7114 -1.7078 -1.5975 -1.5939 9.4990 9.4993 9.5531 9.5538 12.0695 12.0698 12.7180 12.7201 12.7556 12.7565 k = 0.1556 0.2694 0.4568 ( 6892 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.2898 -22.2898 -22.2223 -22.2223 -21.7435 -21.7435 -21.6579 -21.6579 -21.6334 -21.6334 -21.6251 -21.6251 -6.2734 -6.2734 -5.5396 -5.5380 -5.4556 -5.4482 -5.0204 -5.0064 -4.9198 -4.9099 -4.5081 -4.4906 -3.4313 -3.4296 -3.4171 -3.4136 -3.0406 -3.0402 -2.8264 -2.8201 -2.6805 -2.6784 -2.3497 -2.3397 -2.2841 -2.2685 -2.1093 -2.1081 -2.0765 -2.0722 -1.7921 -1.7899 -1.7042 -1.7009 -1.5928 -1.5889 9.4392 9.4394 9.4902 9.4908 12.1134 12.1136 12.7541 12.7561 12.8115 12.8123 k = 0.1481 0.2566 0.4568 ( 6882 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.2925 -22.2925 -22.2310 -22.2310 -21.7340 -21.7340 -21.6565 -21.6565 -21.6329 -21.6329 -21.6236 -21.6236 -6.2897 -6.2897 -5.5310 -5.5290 -5.4520 -5.4444 -5.0307 -5.0165 -4.9375 -4.9274 -4.4975 -4.4801 -3.4104 -3.4089 -3.4006 -3.3978 -3.0531 -3.0530 -2.8172 -2.8100 -2.6867 -2.6848 -2.3486 -2.3380 -2.2929 -2.2781 -2.1120 -2.1117 -2.0834 -2.0802 -1.7840 -1.7815 -1.6970 -1.6941 -1.5884 -1.5841 9.3816 9.3818 9.4294 9.4299 12.1547 12.1548 12.7882 12.7902 12.8596 12.8601 k = 0.1407 0.2438 0.4568 ( 6886 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.2951 -22.2951 -22.2395 -22.2395 -21.7247 -21.7247 -21.6552 -21.6552 -21.6325 -21.6325 -21.6221 -21.6221 -6.3055 -6.3054 -5.5222 -5.5198 -5.4483 -5.4404 -5.0412 -5.0269 -4.9557 -4.9454 -4.4874 -4.4701 -3.3892 -3.3885 -3.3821 -3.3807 -3.0652 -3.0650 -2.8085 -2.8005 -2.6927 -2.6912 -2.3492 -2.3384 -2.3011 -2.2873 -2.1160 -2.1145 -2.0898 -2.0887 -1.7754 -1.7725 -1.6901 -1.6875 -1.5843 -1.5796 9.3264 9.3267 9.3708 9.3713 12.1929 12.1929 12.8204 12.8223 12.8975 12.8977 k = 0.1333 0.2309 0.4568 ( 6892 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.2977 -22.2977 -22.2476 -22.2476 -21.7158 -21.7158 -21.6539 -21.6539 -21.6321 -21.6321 -21.6206 -21.6206 -6.3207 -6.3206 -5.5131 -5.5104 -5.4443 -5.4362 -5.0520 -5.0377 -4.9743 -4.9639 -4.4777 -4.4607 -3.3685 -3.3679 -3.3623 -3.3618 -3.0768 -3.0762 -2.8003 -2.7914 -2.6985 -2.6973 -2.3514 -2.3409 -2.3088 -2.2962 -2.1217 -2.1171 -2.0970 -2.0953 -1.7663 -1.7630 -1.6833 -1.6811 -1.5805 -1.5754 9.2737 9.2739 9.3145 9.3150 12.2271 12.2273 12.8506 12.8525 12.9238 12.9240 k = 0.1259 0.2181 0.4568 ( 6892 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3002 -22.3002 -22.2554 -22.2554 -21.7072 -21.7072 -21.6527 -21.6527 -21.6317 -21.6317 -21.6191 -21.6191 -6.3352 -6.3351 -5.5038 -5.5008 -5.4401 -5.4318 -5.0631 -5.0488 -4.9931 -4.9826 -4.4685 -4.4519 -3.3487 -3.3470 -3.3425 -3.3404 -3.0877 -3.0868 -2.7925 -2.7828 -2.7039 -2.7031 -2.3551 -2.3451 -2.3161 -2.3048 -2.1292 -2.1210 -2.1044 -2.0994 -1.7568 -1.7531 -1.6768 -1.6749 -1.5770 -1.5715 9.2235 9.2237 9.2607 9.2612 12.2568 12.2571 12.8789 12.8808 12.9396 12.9403 k = 0.1185 0.2053 0.4568 ( 6892 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3026 -22.3026 -22.2629 -22.2629 -21.6989 -21.6989 -21.6514 -21.6514 -21.6314 -21.6314 -21.6177 -21.6177 -6.3491 -6.3490 -5.4943 -5.4909 -5.4356 -5.4272 -5.0744 -5.0602 -5.0121 -5.0015 -4.4598 -4.4437 -3.3286 -3.3268 -3.3215 -3.3186 -3.0979 -3.0966 -2.7851 -2.7746 -2.7089 -2.7085 -2.3599 -2.3507 -2.3231 -2.3131 -2.1382 -2.1276 -2.1094 -2.1023 -1.7470 -1.7427 -1.6705 -1.6690 -1.5738 -1.5679 9.1759 9.1761 9.2095 9.2099 12.2813 12.2816 12.9053 12.9071 12.9487 12.9497 k = 0.1111 0.1925 0.4568 ( 6892 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3050 -22.3050 -22.2700 -22.2700 -21.6911 -21.6911 -21.6502 -21.6502 -21.6311 -21.6311 -21.6163 -21.6163 -6.3623 -6.3622 -5.4845 -5.4807 -5.4309 -5.4223 -5.0859 -5.0719 -5.0310 -5.0204 -4.4515 -4.4360 -3.3084 -3.3069 -3.3000 -3.2969 -3.1074 -3.1056 -2.7780 -2.7668 -2.7134 -2.7133 -2.3658 -2.3573 -2.3303 -2.3213 -2.1484 -2.1368 -2.1122 -2.1046 -1.7369 -1.7320 -1.6644 -1.6633 -1.5709 -1.5646 9.1308 9.1310 9.1608 9.1612 12.3001 12.3006 12.9298 12.9315 12.9546 12.9559 k = 0.1037 0.1796 0.4568 ( 6894 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3072 -22.3072 -22.2767 -22.2767 -21.6836 -21.6836 -21.6490 -21.6490 -21.6309 -21.6308 -21.6150 -21.6150 -6.3748 -6.3747 -5.4745 -5.4704 -5.4258 -5.4171 -5.0976 -5.0839 -5.0498 -5.0393 -4.4437 -4.4288 -3.2882 -3.2873 -3.2787 -3.2754 -3.1161 -3.1138 -2.7713 -2.7594 -2.7176 -2.7170 -2.3725 -2.3645 -2.3377 -2.3294 -2.1592 -2.1473 -2.1139 -2.1065 -1.7266 -1.7212 -1.6586 -1.6578 -1.5684 -1.5616 9.0884 9.0886 9.1150 9.1154 12.3131 12.3136 12.9523 12.9540 12.9605 12.9621 k = 0.0963 0.1668 0.4568 ( 6886 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3094 -22.3093 -22.2830 -22.2830 -21.6766 -21.6766 -21.6478 -21.6478 -21.6306 -21.6306 -21.6137 -21.6137 -6.3866 -6.3865 -5.4642 -5.4598 -5.4205 -5.4116 -5.1095 -5.0963 -5.0683 -5.0579 -4.4364 -4.4222 -3.2683 -3.2681 -3.2578 -3.2545 -3.1241 -3.1211 -2.7648 -2.7523 -2.7210 -2.7199 -2.3799 -2.3723 -2.3454 -2.3376 -2.1705 -2.1585 -2.1152 -2.1083 -1.7163 -1.7102 -1.6531 -1.6527 -1.5661 -1.5590 9.0487 9.0489 9.0719 9.0723 12.3205 12.3211 12.9679 12.9691 12.9737 12.9749 k = 0.0889 0.1540 0.4568 ( 6876 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3114 -22.3114 -22.2888 -22.2888 -21.6700 -21.6700 -21.6467 -21.6467 -21.6305 -21.6305 -21.6125 -21.6125 -6.3976 -6.3975 -5.4538 -5.4490 -5.4149 -5.4059 -5.1216 -5.1089 -5.0863 -5.0762 -4.4295 -4.4161 -3.2497 -3.2491 -3.2375 -3.2342 -3.1311 -3.1274 -2.7586 -2.7457 -2.7234 -2.7218 -2.3878 -2.3805 -2.3533 -2.3458 -2.1819 -2.1698 -2.1164 -2.1100 -1.7061 -1.6994 -1.6479 -1.6478 -1.5642 -1.5568 9.0118 9.0119 9.0318 9.0321 12.3229 12.3234 12.9776 12.9792 12.9925 12.9938 k = 0.0815 0.1411 0.4568 ( 6876 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3133 -22.3133 -22.2943 -22.2943 -21.6638 -21.6638 -21.6457 -21.6457 -21.6303 -21.6303 -21.6114 -21.6114 -6.4079 -6.4078 -5.4431 -5.4381 -5.4089 -5.3999 -5.1338 -5.1218 -5.1038 -5.0942 -4.4231 -4.4106 -3.2326 -3.2309 -3.2181 -3.2148 -3.1370 -3.1323 -2.7527 -2.7396 -2.7246 -2.7227 -2.3960 -2.3889 -2.3616 -2.3542 -2.1932 -2.1812 -2.1176 -2.1117 -1.6961 -1.6888 -1.6433 -1.6430 -1.5627 -1.5549 8.9776 8.9778 8.9946 8.9949 12.3210 12.3216 12.9895 12.9911 13.0097 13.0109 k = 0.0741 0.1283 0.4568 ( 6872 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3150 -22.3150 -22.2993 -22.2993 -21.6582 -21.6582 -21.6447 -21.6447 -21.6303 -21.6302 -21.6103 -21.6103 -6.4173 -6.4172 -5.4323 -5.4270 -5.4026 -5.3936 -5.1461 -5.1352 -5.1204 -5.1116 -4.4171 -4.4055 -3.2175 -3.2144 -3.1997 -3.1965 -3.1415 -3.1356 -2.7469 -2.7344 -2.7240 -2.7224 -2.4045 -2.3977 -2.3700 -2.3628 -2.2041 -2.1923 -2.1188 -2.1135 -1.6863 -1.6784 -1.6391 -1.6383 -1.5614 -1.5534 8.9463 8.9464 8.9605 8.9607 12.3159 12.3164 13.0030 13.0046 13.0253 13.0264 k = 0.0667 0.1155 0.4568 ( 6870 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3166 -22.3166 -22.3039 -22.3039 -21.6530 -21.6530 -21.6437 -21.6437 -21.6302 -21.6302 -21.6093 -21.6093 -6.4259 -6.4258 -5.4213 -5.4159 -5.3960 -5.3870 -5.1584 -5.1489 -5.1361 -5.1285 -4.4116 -4.4010 -3.2050 -3.2005 -3.1824 -3.1793 -3.1440 -3.1367 -2.7413 -2.7306 -2.7213 -2.7209 -2.4130 -2.4066 -2.3786 -2.3717 -2.2143 -2.2030 -2.1200 -2.1152 -1.6770 -1.6686 -1.6352 -1.6340 -1.5604 -1.5523 8.9179 8.9180 8.9294 8.9296 12.3085 12.3090 13.0174 13.0189 13.0392 13.0403 k = 0.0593 0.1026 0.4568 ( 6854 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3181 -22.3181 -22.3080 -22.3080 -21.6484 -21.6484 -21.6428 -21.6428 -21.6302 -21.6302 -21.6084 -21.6084 -6.4336 -6.4336 -5.4103 -5.4048 -5.3890 -5.3803 -5.1706 -5.1629 -5.1508 -5.1447 -4.4066 -4.3970 -3.1960 -3.1904 -3.1666 -3.1636 -3.1433 -3.1351 -2.7358 -2.7274 -2.7184 -2.7170 -2.4214 -2.4156 -2.3872 -2.3808 -2.2238 -2.2131 -2.1211 -2.1169 -1.6682 -1.6594 -1.6315 -1.6301 -1.5598 -1.5516 8.8923 8.8924 8.9015 8.9017 12.2998 12.3003 13.0319 13.0333 13.0516 13.0525 k = 0.0519 0.0898 0.4568 ( 6842 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3194 -22.3194 -22.3117 -22.3117 -21.6442 -21.6442 -21.6420 -21.6420 -21.6302 -21.6302 -21.6076 -21.6076 -6.4405 -6.4405 -5.3994 -5.3939 -5.3818 -5.3734 -5.1826 -5.1769 -5.1645 -5.1601 -4.4021 -4.3936 -3.1907 -3.1849 -3.1522 -3.1494 -3.1389 -3.1308 -2.7303 -2.7241 -2.7151 -2.7123 -2.4296 -2.4246 -2.3956 -2.3901 -2.2322 -2.2223 -2.1222 -2.1185 -1.6600 -1.6510 -1.6281 -1.6264 -1.5594 -1.5513 8.8697 8.8697 8.8767 8.8769 12.2906 12.2910 13.0458 13.0471 13.0624 13.0632 k = 0.0444 0.0770 0.4568 ( 6838 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3205 -22.3205 -22.3148 -22.3148 -21.6413 -21.6413 -21.6406 -21.6406 -21.6302 -21.6302 -21.6069 -21.6069 -6.4465 -6.4465 -5.3886 -5.3833 -5.3743 -5.3665 -5.1943 -5.1903 -5.1774 -5.1745 -4.3980 -4.3906 -3.1882 -3.1832 -3.1395 -3.1369 -3.1317 -3.1246 -2.7248 -2.7202 -2.7112 -2.7077 -2.4374 -2.4334 -2.4038 -2.3993 -2.2396 -2.2307 -2.1233 -2.1201 -1.6526 -1.6437 -1.6248 -1.6230 -1.5592 -1.5515 8.8500 8.8501 8.8552 8.8554 12.2815 12.2818 13.0586 13.0598 13.0717 13.0723 k = 0.0370 0.0642 0.4568 ( 6838 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3215 -22.3215 -22.3175 -22.3175 -21.6406 -21.6406 -21.6375 -21.6375 -21.6303 -21.6303 -21.6063 -21.6063 -6.4516 -6.4516 -5.3781 -5.3734 -5.3666 -5.3598 -5.2054 -5.2029 -5.1895 -5.1879 -4.3945 -4.3883 -3.1875 -3.1836 -3.1285 -3.1265 -3.1235 -3.1179 -2.7192 -2.7157 -2.7071 -2.7037 -2.4447 -2.4417 -2.4116 -2.4082 -2.2457 -2.2380 -2.1242 -2.1215 -1.6461 -1.6378 -1.6216 -1.6199 -1.5591 -1.5519 8.8333 8.8334 8.8369 8.8371 12.2730 12.2733 13.0698 13.0708 13.0795 13.0800 k = 0.0296 0.0513 0.4568 ( 6836 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3223 -22.3223 -22.3198 -22.3198 -21.6401 -21.6401 -21.6350 -21.6350 -21.6303 -21.6303 -21.6058 -21.6058 -6.4558 -6.4558 -5.3681 -5.3645 -5.3589 -5.3536 -5.2156 -5.2142 -5.2007 -5.1999 -4.3914 -4.3864 -3.1876 -3.1847 -3.1195 -3.1182 -3.1155 -3.1117 -2.7138 -2.7109 -2.7032 -2.7003 -2.4511 -2.4493 -2.4185 -2.4164 -2.2505 -2.2442 -2.1249 -2.1228 -1.6405 -1.6333 -1.6184 -1.6170 -1.5591 -1.5527 8.8196 8.8197 8.8219 8.8220 12.2656 12.2658 13.0793 13.0800 13.0859 13.0863 k = 0.0222 0.0385 0.4568 ( 6844 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3229 -22.3229 -22.3215 -22.3215 -21.6396 -21.6396 -21.6330 -21.6330 -21.6304 -21.6304 -21.6054 -21.6054 -6.4591 -6.4591 -5.3590 -5.3568 -5.3518 -5.3482 -5.2245 -5.2237 -5.2106 -5.2104 -4.3889 -4.3851 -3.1880 -3.1859 -3.1125 -3.1119 -3.1088 -3.1064 -2.7088 -2.7064 -2.6997 -2.6977 -2.4566 -2.4557 -2.4244 -2.4233 -2.2540 -2.2492 -2.1255 -2.1239 -1.6360 -1.6304 -1.6153 -1.6146 -1.5590 -1.5538 8.8090 8.8090 8.8103 8.8103 12.2595 12.2597 13.0867 13.0872 13.0910 13.0911 k = 0.0148 0.0257 0.4568 ( 6844 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3234 -22.3234 -22.3227 -22.3227 -21.6393 -21.6393 -21.6316 -21.6316 -21.6305 -21.6305 -21.6051 -21.6051 -6.4615 -6.4615 -5.3513 -5.3503 -5.3460 -5.3442 -5.2314 -5.2310 -5.2187 -5.2187 -4.3869 -4.3844 -3.1883 -3.1870 -3.1075 -3.1073 -3.1038 -3.1025 -2.7046 -2.7025 -2.6970 -2.6961 -2.4609 -2.4606 -2.4290 -2.4285 -2.2563 -2.2531 -2.1258 -2.1248 -1.6325 -1.6287 -1.6129 -1.6126 -1.5588 -1.5550 8.8013 8.8014 8.8019 8.8020 12.2550 12.2551 13.0919 13.0921 13.0948 13.0948 k = 0.0074 0.0128 0.4568 ( 6844 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3236 -22.3236 -22.3235 -22.3235 -21.6391 -21.6391 -21.6308 -21.6308 -21.6305 -21.6305 -21.6050 -21.6050 -6.4629 -6.4629 -5.3456 -5.3456 -5.3426 -5.3421 -5.2358 -5.2356 -5.2242 -5.2242 -4.3855 -4.3842 -3.1884 -3.1878 -3.1046 -3.1046 -3.1007 -3.1001 -2.7014 -2.7001 -2.6955 -2.6953 -2.4637 -2.4636 -2.4319 -2.4317 -2.2573 -2.2557 -2.1259 -2.1254 -1.6301 -1.6282 -1.6113 -1.6112 -1.5582 -1.5562 8.7968 8.7968 8.7969 8.7969 12.2523 12.2523 13.0948 13.0948 13.0971 13.0972 k = 0.0000 0.0000 0.4568 ( 6830 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1460 -97.1460 -22.3237 -22.3237 -22.3237 -22.3237 -21.6390 -21.6390 -21.6305 -21.6305 -21.6305 -21.6305 -21.6049 -21.6049 -6.4633 -6.4633 -5.3432 -5.3432 -5.3420 -5.3420 -5.2372 -5.2372 -5.2261 -5.2261 -4.3846 -4.3846 -3.1883 -3.1883 -3.1036 -3.1036 -3.0995 -3.0995 -2.6997 -2.6997 -2.6950 -2.6950 -2.4646 -2.4646 -2.4328 -2.4328 -2.2571 -2.2571 -2.1258 -2.1258 -1.6286 -1.6286 -1.6107 -1.6107 -1.5573 -1.5573 8.7952 8.7952 8.7952 8.7952 12.2514 12.2514 13.0957 13.0957 13.0980 13.0980 k = 0.5000 0.2887 0.4568 ( 6892 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2634 -22.2634 -22.0730 -22.0730 -21.9021 -21.9021 -21.6775 -21.6775 -21.6397 -21.6397 -21.6313 -21.6313 -6.0709 -6.0709 -5.7044 -5.7044 -5.3664 -5.3664 -4.9487 -4.9487 -4.7200 -4.7200 -4.6490 -4.6490 -3.6504 -3.6504 -3.5638 -3.5638 -2.9077 -2.9077 -2.7459 -2.7459 -2.7024 -2.7024 -2.4318 -2.4318 -2.2498 -2.2498 -2.1024 -2.1024 -1.9548 -1.9548 -1.9469 -1.9469 -1.7817 -1.7817 -1.5555 -1.5555 10.6642 10.6642 10.7481 10.7481 10.8418 10.8418 11.1104 11.1104 13.0522 13.0522 k = 0.5000 0.2887 0.4420 ( 6888 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2635 -22.2635 -22.0731 -22.0731 -21.9019 -21.9019 -21.6774 -21.6774 -21.6398 -21.6398 -21.6312 -21.6312 -6.0713 -6.0711 -5.7049 -5.7045 -5.3663 -5.3656 -4.9514 -4.9487 -4.7193 -4.7168 -4.6491 -4.6487 -3.6505 -3.6498 -3.5637 -3.5633 -2.9087 -2.9076 -2.7485 -2.7465 -2.7025 -2.7003 -2.4334 -2.4318 -2.2505 -2.2495 -2.1027 -2.1015 -1.9657 -1.9600 -1.9411 -1.9348 -1.7825 -1.7817 -1.5559 -1.5551 10.6521 10.6528 10.7126 10.7130 10.8796 10.8802 11.1211 11.1214 13.0448 13.0462 k = 0.5000 0.2887 0.4273 ( 6892 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2639 -22.2639 -22.0733 -22.0733 -21.9014 -21.9014 -21.6773 -21.6773 -21.6400 -21.6400 -21.6311 -21.6311 -6.0723 -6.0719 -5.7059 -5.7053 -5.3652 -5.3638 -4.9565 -4.9513 -4.7150 -4.7103 -4.6492 -4.6482 -3.6500 -3.6485 -3.5631 -3.5624 -2.9107 -2.9083 -2.7537 -2.7502 -2.7007 -2.6969 -2.4364 -2.4333 -2.2514 -2.2494 -2.1025 -2.1002 -1.9759 -1.9705 -1.9279 -1.9214 -1.7839 -1.7824 -1.5562 -1.5547 10.6173 10.6188 10.6567 10.6574 10.9454 10.9461 11.1509 11.1515 13.0284 13.0303 k = 0.5000 0.2887 0.4126 ( 6884 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2645 -22.2645 -22.0736 -22.0736 -21.9005 -21.9005 -21.6770 -21.6770 -21.6403 -21.6403 -21.6310 -21.6310 -6.0740 -6.0733 -5.7076 -5.7066 -5.3632 -5.3611 -4.9635 -4.9563 -4.7077 -4.7010 -4.6490 -4.6472 -3.6489 -3.6467 -3.5620 -3.5609 -2.9135 -2.9100 -2.7605 -2.7562 -2.6975 -2.6928 -2.4409 -2.4363 -2.2527 -2.2497 -2.1019 -2.0986 -1.9848 -1.9797 -1.9139 -1.9073 -1.7860 -1.7838 -1.5566 -1.5544 10.5645 10.5663 10.6041 10.6049 11.0165 11.0173 11.1944 11.1951 13.0067 13.0087 k = 0.5000 0.2887 0.3978 ( 6888 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2653 -22.2653 -22.0741 -22.0741 -21.8993 -21.8993 -21.6766 -21.6766 -21.6408 -21.6408 -21.6308 -21.6308 -6.0762 -6.0753 -5.7098 -5.7085 -5.3602 -5.3574 -4.9719 -4.9629 -4.6984 -4.6903 -4.6481 -4.6451 -3.6473 -3.6444 -3.5603 -3.5588 -2.9174 -2.9126 -2.7684 -2.7639 -2.6937 -2.6885 -2.4466 -2.4408 -2.2544 -2.2503 -2.1011 -2.0969 -1.9921 -1.9874 -1.8995 -1.8927 -1.7888 -1.7858 -1.5569 -1.5540 10.5038 10.5055 10.5524 10.5531 11.0897 11.0906 11.2467 11.2474 12.9815 12.9835 k = 0.5000 0.2887 0.3831 ( 6878 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2664 -22.2664 -22.0746 -22.0746 -21.8977 -21.8977 -21.6761 -21.6761 -21.6413 -21.6413 -21.6306 -21.6306 -6.0789 -6.0779 -5.7126 -5.7110 -5.3563 -5.3529 -4.9811 -4.9708 -4.6890 -4.6799 -4.6454 -4.6406 -3.6452 -3.6415 -3.5580 -3.5562 -2.9223 -2.9163 -2.7772 -2.7725 -2.6896 -2.6842 -2.4536 -2.4467 -2.2565 -2.2512 -2.1005 -2.0954 -1.9977 -1.9932 -1.8849 -1.8779 -1.7920 -1.7884 -1.5571 -1.5536 10.4416 10.4432 10.4993 10.4999 11.1638 11.1648 11.3045 11.3053 12.9536 12.9556 k = 0.5000 0.2887 0.3684 ( 6882 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2676 -22.2676 -22.0753 -22.0753 -21.8959 -21.8959 -21.6755 -21.6755 -21.6418 -21.6418 -21.6304 -21.6304 -6.0822 -6.0810 -5.7159 -5.7140 -5.3516 -5.3474 -4.9907 -4.9793 -4.6816 -4.6727 -4.6387 -4.6320 -3.6426 -3.6381 -3.5552 -3.5530 -2.9283 -2.9211 -2.7864 -2.7816 -2.6854 -2.6798 -2.4618 -2.4538 -2.2590 -2.2526 -2.1002 -2.0943 -2.0015 -1.9967 -1.8702 -1.8628 -1.7957 -1.7915 -1.5573 -1.5531 10.3799 10.3815 10.4450 10.4456 11.2382 11.2394 11.3659 11.3666 12.9239 12.9258 k = 0.5000 0.2887 0.3536 ( 6870 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2691 -22.2691 -22.0761 -22.0761 -21.8938 -21.8938 -21.6749 -21.6749 -21.6424 -21.6424 -21.6302 -21.6302 -6.0859 -6.0845 -5.7197 -5.7176 -5.3459 -5.3411 -5.0003 -4.9880 -4.6777 -4.6698 -4.6269 -4.6188 -3.6394 -3.6342 -3.5518 -3.5491 -2.9355 -2.9270 -2.7960 -2.7909 -2.6811 -2.6755 -2.4709 -2.4621 -2.2621 -2.2544 -2.1004 -2.0938 -2.0036 -1.9981 -1.8561 -1.8478 -1.7997 -1.7948 -1.5573 -1.5525 10.3195 10.3210 10.3905 10.3910 11.3123 11.3137 11.4298 11.4305 12.8928 12.8946 k = 0.5000 0.2887 0.3389 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2707 -22.2707 -22.0769 -22.0769 -21.8914 -21.8914 -21.6741 -21.6741 -21.6430 -21.6430 -21.6300 -21.6300 -6.0900 -6.0886 -5.7240 -5.7217 -5.3394 -5.3339 -5.0096 -4.9967 -4.6769 -4.6699 -4.6112 -4.6022 -3.6358 -3.6298 -3.5478 -3.5447 -2.9438 -2.9341 -2.8057 -2.8001 -2.6769 -2.6712 -2.4810 -2.4715 -2.2658 -2.2568 -2.1012 -2.0939 -2.0040 -1.9974 -1.8432 -1.8332 -1.8036 -1.7976 -1.5571 -1.5518 10.2605 10.2620 10.3363 10.3368 11.3853 11.3870 11.4958 11.4964 12.8610 12.8627 k = 0.5000 0.2887 0.3242 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2724 -22.2724 -22.0779 -22.0779 -21.8888 -21.8888 -21.6733 -21.6733 -21.6436 -21.6436 -21.6299 -21.6299 -6.0945 -6.0929 -5.7287 -5.7262 -5.3320 -5.3259 -5.0185 -5.0051 -4.6781 -4.6717 -4.5934 -4.5838 -3.6318 -3.6250 -3.5432 -3.5396 -2.9533 -2.9423 -2.8153 -2.8092 -2.6726 -2.6669 -2.4918 -2.4817 -2.2701 -2.2598 -2.1023 -2.0945 -2.0029 -1.9951 -1.8335 -1.8206 -1.8058 -1.7981 -1.5567 -1.5510 10.2032 10.2047 10.2830 10.2836 11.4563 11.4584 11.5637 11.5642 12.8290 12.8306 k = 0.5000 0.2887 0.3094 ( 6882 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2743 -22.2742 -22.0789 -22.0789 -21.8861 -21.8861 -21.6725 -21.6725 -21.6442 -21.6442 -21.6298 -21.6298 -6.0993 -6.0976 -5.7338 -5.7312 -5.3238 -5.3172 -5.0269 -5.0131 -4.6807 -4.6747 -4.5743 -4.5644 -3.6273 -3.6198 -3.5380 -3.5339 -2.9637 -2.9517 -2.8247 -2.8178 -2.6682 -2.6624 -2.5034 -2.4928 -2.2751 -2.2636 -2.1036 -2.0955 -2.0005 -1.9915 -1.8300 -1.8176 -1.7990 -1.7929 -1.5560 -1.5499 10.1477 10.1491 10.2310 10.2316 11.5246 11.5270 11.6334 11.6340 12.7973 12.7987 k = 0.5000 0.2887 0.2947 ( 6878 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2762 -22.2762 -22.0799 -22.0799 -21.8831 -21.8831 -21.6716 -21.6716 -21.6448 -21.6448 -21.6298 -21.6298 -6.1044 -6.1026 -5.7392 -5.7365 -5.3149 -5.3077 -5.0346 -5.0205 -4.6843 -4.6786 -4.5545 -4.5445 -3.6223 -3.6142 -3.5323 -3.5276 -2.9751 -2.9620 -2.8337 -2.8261 -2.6637 -2.6579 -2.5155 -2.5045 -2.2808 -2.2682 -2.1048 -2.0966 -1.9971 -1.9870 -1.8320 -1.8217 -1.7860 -1.7827 -1.5550 -1.5486 10.0940 10.0955 10.1806 10.1812 11.5894 11.5921 11.7049 11.7057 12.7664 12.7677 k = 0.5000 0.2887 0.2800 ( 6868 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2782 -22.2782 -22.0810 -22.0810 -21.8800 -21.8800 -21.6708 -21.6708 -21.6453 -21.6453 -21.6299 -21.6299 -6.1096 -6.1078 -5.7450 -5.7421 -5.3053 -5.2975 -5.0416 -5.0272 -4.6888 -4.6832 -4.5344 -4.5243 -3.6170 -3.6081 -3.5262 -3.5208 -2.9871 -2.9731 -2.8424 -2.8340 -2.6592 -2.6532 -2.5281 -2.5168 -2.2873 -2.2736 -2.1059 -2.0977 -1.9931 -1.9821 -1.8365 -1.8273 -1.7723 -1.7704 -1.5536 -1.5470 10.0424 10.0438 10.1320 10.1326 11.6503 11.6533 11.7778 11.7789 12.7366 12.7379 k = 0.5000 0.2887 0.2652 ( 6866 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2803 -22.2803 -22.0822 -22.0822 -21.8769 -21.8769 -21.6699 -21.6699 -21.6458 -21.6458 -21.6300 -21.6299 -6.1149 -6.1132 -5.7509 -5.7480 -5.2951 -5.2867 -5.0478 -5.0333 -4.6942 -4.6887 -4.5143 -4.5042 -3.6113 -3.6017 -3.5197 -3.5136 -2.9996 -2.9848 -2.8505 -2.8415 -2.6545 -2.6484 -2.5410 -2.5294 -2.2947 -2.2801 -2.1066 -2.0985 -1.9887 -1.9768 -1.8422 -1.8335 -1.7589 -1.7576 -1.5519 -1.5452 9.9927 9.9941 10.0854 10.0860 11.7071 11.7104 11.8517 11.8530 12.7086 12.7098 k = 0.5000 0.2887 0.2505 ( 6872 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2824 -22.2824 -22.0833 -22.0833 -21.8736 -21.8736 -21.6691 -21.6690 -21.6462 -21.6462 -21.6301 -21.6301 -6.1204 -6.1186 -5.7570 -5.7541 -5.2843 -5.2752 -5.0534 -5.0386 -4.7003 -4.6948 -4.4944 -4.4844 -3.6051 -3.5950 -3.5129 -3.5062 -3.0122 -2.9969 -2.8581 -2.8485 -2.6498 -2.6435 -2.5542 -2.5423 -2.3030 -2.2875 -2.1069 -2.0991 -1.9842 -1.9715 -1.8483 -1.8400 -1.7459 -1.7450 -1.5499 -1.5431 9.9452 9.9466 10.0409 10.0415 11.7597 11.7632 11.9258 11.9273 12.6825 12.6838 k = 0.5000 0.2887 0.2358 ( 6876 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2845 -22.2845 -22.0845 -22.0845 -21.8704 -21.8704 -21.6683 -21.6682 -21.6465 -21.6465 -21.6303 -21.6303 -6.1259 -6.1241 -5.7631 -5.7603 -5.2729 -5.2633 -5.0582 -5.0433 -4.7071 -4.7016 -4.4748 -4.4649 -3.5986 -3.5879 -3.5061 -3.4986 -3.0248 -3.0091 -2.8651 -2.8550 -2.6450 -2.6385 -2.5675 -2.5554 -2.3121 -2.2959 -2.1068 -2.0992 -1.9797 -1.9664 -1.8547 -1.8467 -1.7335 -1.7327 -1.5474 -1.5406 9.8999 9.9012 9.9986 9.9992 11.8080 11.8116 11.9995 12.0010 12.6589 12.6603 k = 0.5000 0.2887 0.2210 ( 6884 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2866 -22.2866 -22.0857 -22.0857 -21.8671 -21.8671 -21.6675 -21.6675 -21.6468 -21.6468 -21.6305 -21.6305 -6.1313 -6.1295 -5.7693 -5.7665 -5.2611 -5.2509 -5.0624 -5.0473 -4.7146 -4.7092 -4.4556 -4.4460 -3.5918 -3.5804 -3.4992 -3.4910 -3.0372 -3.0213 -2.8714 -2.8610 -2.6405 -2.6337 -2.5808 -2.5683 -2.3220 -2.3053 -2.1061 -2.0989 -1.9755 -1.9615 -1.8611 -1.8534 -1.7217 -1.7211 -1.5446 -1.5379 9.8569 9.8581 9.9586 9.9592 11.8518 11.8554 12.0719 12.0736 12.6381 12.6396 k = 0.5000 0.2887 0.2063 ( 6890 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2887 -22.2887 -22.0868 -22.0868 -21.8639 -21.8639 -21.6668 -21.6668 -21.6469 -21.6469 -21.6308 -21.6308 -6.1366 -6.1349 -5.7754 -5.7727 -5.2489 -5.2381 -5.0660 -5.0506 -4.7228 -4.7173 -4.4371 -4.4277 -3.5846 -3.5727 -3.4926 -3.4836 -3.0490 -3.0332 -2.8769 -2.8662 -2.6363 -2.6294 -2.5936 -2.5808 -2.3327 -2.3156 -2.1050 -2.0981 -1.9717 -1.9571 -1.8675 -1.8599 -1.7105 -1.7100 -1.5415 -1.5350 9.8162 9.8174 9.9211 9.9217 11.8909 11.8945 12.1424 12.1443 12.6203 12.6220 k = 0.5000 0.2887 0.1915 ( 6882 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2907 -22.2907 -22.0879 -22.0879 -21.8607 -21.8607 -21.6662 -21.6662 -21.6470 -21.6470 -21.6312 -21.6312 -6.1418 -6.1402 -5.7814 -5.7788 -5.2363 -5.2250 -5.0690 -5.0534 -4.7315 -4.7261 -4.4193 -4.4102 -3.5772 -3.5648 -3.4863 -3.4765 -3.0602 -3.0446 -2.8815 -2.8707 -2.6334 -2.6271 -2.6043 -2.5920 -2.3441 -2.3267 -2.1033 -2.0968 -1.9685 -1.9532 -1.8737 -1.8662 -1.7002 -1.6997 -1.5382 -1.5318 9.7780 9.7790 9.8860 9.8865 11.9252 11.9288 12.2103 12.2123 12.6060 12.6078 k = 0.5000 0.2887 0.1768 ( 6882 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2926 -22.2926 -22.0890 -22.0890 -21.8576 -21.8576 -21.6657 -21.6657 -21.6469 -21.6469 -21.6315 -21.6315 -6.1468 -6.1453 -5.7872 -5.7848 -5.2236 -5.2116 -5.0716 -5.0556 -4.7408 -4.7354 -4.4023 -4.3936 -3.5695 -3.5567 -3.4805 -3.4700 -3.0707 -3.0556 -2.8850 -2.8742 -2.6338 -2.6311 -2.6087 -2.5997 -2.3561 -2.3387 -2.1011 -2.0950 -1.9659 -1.9501 -1.8796 -1.8719 -1.6906 -1.6901 -1.5346 -1.5285 9.7422 9.7432 9.8534 9.8539 11.9546 11.9581 12.2749 12.2770 12.5951 12.5971 k = 0.5000 0.2887 0.1621 ( 6890 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2945 -22.2945 -22.0901 -22.0901 -21.8546 -21.8546 -21.6653 -21.6653 -21.6468 -21.6468 -21.6319 -21.6319 -6.1516 -6.1502 -5.7928 -5.7905 -5.2107 -5.1981 -5.0737 -5.0573 -4.7505 -4.7451 -4.3863 -4.3779 -3.5618 -3.5485 -3.4752 -3.4640 -3.0803 -3.0658 -2.8874 -2.8765 -2.6427 -2.6388 -2.6070 -2.6014 -2.3686 -2.3512 -2.0984 -2.0928 -1.9642 -1.9479 -1.8850 -1.8771 -1.6818 -1.6813 -1.5309 -1.5251 9.7090 9.7099 9.8233 9.8238 11.9790 11.9824 12.3354 12.3376 12.5877 12.5899 k = 0.5000 0.2887 0.1473 ( 6882 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2962 -22.2962 -22.0910 -22.0910 -21.8518 -21.8518 -21.6650 -21.6650 -21.6466 -21.6466 -21.6323 -21.6323 -6.1561 -6.1547 -5.7981 -5.7959 -5.1978 -5.1845 -5.0754 -5.0586 -4.7605 -4.7552 -4.3712 -4.3634 -3.5540 -3.5404 -3.4706 -3.4589 -3.0890 -3.0755 -2.8884 -2.8776 -2.6555 -2.6491 -2.6034 -2.5983 -2.3814 -2.3643 -2.0953 -2.0901 -1.9634 -1.9470 -1.8896 -1.8814 -1.6737 -1.6732 -1.5271 -1.5217 9.6785 9.6793 9.7958 9.7962 11.9988 12.0019 12.3911 12.3935 12.5836 12.5860 k = 0.5000 0.2887 0.1326 ( 6886 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2978 -22.2978 -22.0920 -22.0920 -21.8492 -21.8492 -21.6647 -21.6647 -21.6463 -21.6463 -21.6327 -21.6327 -6.1603 -6.1590 -5.8030 -5.8010 -5.1851 -5.1710 -5.0769 -5.0596 -4.7707 -4.7654 -4.3572 -4.3500 -3.5463 -3.5325 -3.4667 -3.4545 -3.0968 -3.0844 -2.8880 -2.8772 -2.6691 -2.6614 -2.5988 -2.5933 -2.3944 -2.3776 -2.0918 -2.0871 -1.9637 -1.9475 -1.8931 -1.8849 -1.6665 -1.6660 -1.5233 -1.5184 9.6507 9.6514 9.7708 9.7712 12.0142 12.0171 12.4415 12.4440 12.5824 12.5850 k = 0.5000 0.2887 0.1179 ( 6884 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2993 -22.2993 -22.0928 -22.0928 -21.8468 -21.8468 -21.6645 -21.6645 -21.6460 -21.6460 -21.6332 -21.6332 -6.1641 -6.1630 -5.8075 -5.8058 -5.1726 -5.1577 -5.0782 -5.0602 -4.7808 -4.7757 -4.3445 -4.3378 -3.5388 -3.5250 -3.4635 -3.4509 -3.1037 -3.0926 -2.8859 -2.8752 -2.6829 -2.6745 -2.5937 -2.5877 -2.4073 -2.3910 -2.0880 -2.0837 -1.9651 -1.9496 -1.8954 -1.8875 -1.6600 -1.6595 -1.5196 -1.5152 9.6256 9.6263 9.7485 9.7488 12.0257 12.0283 12.4860 12.4885 12.5837 12.5864 k = 0.5000 0.2887 0.1031 ( 6876 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3006 -22.3006 -22.0936 -22.0936 -21.8446 -21.8446 -21.6644 -21.6644 -21.6457 -21.6457 -21.6336 -21.6336 -6.1676 -6.1666 -5.8116 -5.8100 -5.1606 -5.1448 -5.0793 -5.0607 -4.7908 -4.7859 -4.3329 -4.3269 -3.5317 -3.5181 -3.4607 -3.4482 -3.1099 -3.1001 -2.8823 -2.8716 -2.6967 -2.6880 -2.5882 -2.5818 -2.4199 -2.4043 -2.0839 -2.0800 -1.9673 -1.9530 -1.8965 -1.8893 -1.6544 -1.6539 -1.5162 -1.5122 9.6034 9.6040 9.7287 9.7291 12.0340 12.0363 12.5242 12.5269 12.5868 12.5895 k = 0.5000 0.2887 0.0884 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3018 -22.3018 -22.0942 -22.0942 -21.8426 -21.8426 -21.6643 -21.6643 -21.6453 -21.6453 -21.6340 -21.6339 -6.1706 -6.1697 -5.8152 -5.8138 -5.1492 -5.1326 -5.0803 -5.0611 -4.8003 -4.7958 -4.3227 -4.3174 -3.5250 -3.5119 -3.4583 -3.4461 -3.1152 -3.1069 -2.8770 -2.8665 -2.7105 -2.7016 -2.5825 -2.5759 -2.4320 -2.4173 -2.0797 -2.0762 -1.9702 -1.9575 -1.8967 -1.8904 -1.6495 -1.6490 -1.5129 -1.5095 9.5840 9.5845 9.7116 9.7119 12.0397 12.0417 12.5561 12.5590 12.5911 12.5939 k = 0.5000 0.2887 0.0737 ( 6884 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3028 -22.3028 -22.0948 -22.0948 -21.8409 -21.8409 -21.6642 -21.6642 -21.6450 -21.6450 -21.6343 -21.6343 -6.1732 -6.1725 -5.8183 -5.8171 -5.1386 -5.1213 -5.0811 -5.0615 -4.8091 -4.8050 -4.3138 -4.3094 -3.5189 -3.5069 -3.4561 -3.4448 -3.1198 -3.1129 -2.8703 -2.8600 -2.7241 -2.7152 -2.5768 -2.5702 -2.4432 -2.4296 -2.0754 -2.0723 -1.9735 -1.9626 -1.8963 -1.8910 -1.6453 -1.6449 -1.5100 -1.5071 9.5676 9.5680 9.6971 9.6973 12.0435 12.0451 12.5814 12.5850 12.5960 12.5992 k = 0.5000 0.2887 0.0589 ( 6888 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3036 -22.3036 -22.0953 -22.0953 -21.8395 -21.8395 -21.6641 -21.6641 -21.6447 -21.6447 -21.6346 -21.6346 -6.1754 -6.1748 -5.8208 -5.8199 -5.1289 -5.1114 -5.0817 -5.0621 -4.8169 -4.8133 -4.3064 -4.3028 -3.5136 -3.5030 -3.4540 -3.4440 -3.1236 -3.1181 -2.8624 -2.8526 -2.7373 -2.7285 -2.5712 -2.5648 -2.4532 -2.4411 -2.0713 -2.0686 -1.9768 -1.9678 -1.8956 -1.8914 -1.6420 -1.6416 -1.5075 -1.5052 9.5541 9.5544 9.6852 9.6854 12.0458 12.0471 12.5975 12.6004 12.6059 12.6077 k = 0.5000 0.2887 0.0442 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3043 -22.3043 -22.0957 -22.0957 -21.8384 -21.8384 -21.6641 -21.6641 -21.6445 -21.6445 -21.6349 -21.6349 -6.1770 -6.1766 -5.8228 -5.8221 -5.1204 -5.1040 -5.0813 -5.0631 -4.8233 -4.8204 -4.3005 -4.2977 -3.5089 -3.5004 -3.4518 -3.4437 -3.1265 -3.1224 -2.8537 -2.8447 -2.7494 -2.7412 -2.5659 -2.5601 -2.4615 -2.4514 -2.0675 -2.0654 -1.9797 -1.9728 -1.8947 -1.8916 -1.6393 -1.6391 -1.5055 -1.5037 9.5435 9.5438 9.6760 9.6761 12.0471 12.0481 12.6037 12.6051 12.6205 12.6208 k = 0.5000 0.2887 0.0295 ( 6886 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3048 -22.3048 -22.0960 -22.0960 -21.8376 -21.8376 -21.6641 -21.6641 -21.6443 -21.6443 -21.6351 -21.6351 -6.1782 -6.1779 -5.8242 -5.8237 -5.1132 -5.1002 -5.0790 -5.0648 -4.8280 -4.8260 -4.2961 -4.2942 -3.5051 -3.4992 -3.4497 -3.4440 -3.1284 -3.1258 -2.8449 -2.8374 -2.7597 -2.7528 -2.5611 -2.5566 -2.4674 -2.4600 -2.0644 -2.0629 -1.9819 -1.9771 -1.8939 -1.8918 -1.6374 -1.6373 -1.5039 -1.5027 9.5360 9.5362 9.6694 9.6695 12.0479 12.0486 12.6073 12.6083 12.6306 12.6310 k = 0.5000 0.2887 0.0147 ( 6898 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3050 -22.3050 -22.0961 -22.0961 -21.8371 -21.8371 -21.6641 -21.6641 -21.6442 -21.6442 -21.6352 -21.6352 -6.1789 -6.1788 -5.8250 -5.8248 -5.1073 -5.1002 -5.0751 -5.0674 -4.8307 -4.8297 -4.2933 -4.2923 -3.5022 -3.4991 -3.4478 -3.4448 -3.1294 -3.1281 -2.8371 -2.8326 -2.7663 -2.7621 -2.5573 -2.5548 -2.4704 -2.4665 -2.0622 -2.0614 -1.9829 -1.9804 -1.8931 -1.8921 -1.6363 -1.6362 -1.5028 -1.5022 9.5315 9.5316 9.6655 9.6655 12.0483 12.0487 12.6096 12.6101 12.6367 12.6370 k = 0.5000 0.2887-0.0000 ( 6880 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.3051 -22.3051 -22.0962 -22.0962 -21.8369 -21.8369 -21.6641 -21.6641 -21.6442 -21.6442 -21.6352 -21.6352 -6.1791 -6.1791 -5.8252 -5.8252 -5.1029 -5.1029 -5.0709 -5.0709 -4.8313 -4.8313 -4.2920 -4.2920 -3.5001 -3.5001 -3.4461 -3.4461 -3.1293 -3.1293 -2.8324 -2.8324 -2.7672 -2.7672 -2.5550 -2.5550 -2.4701 -2.4701 -2.0611 -2.0611 -1.9824 -1.9824 -1.8925 -1.8925 -1.6359 -1.6359 -1.5022 -1.5022 9.5300 9.5300 9.6642 9.6642 12.0486 12.0486 12.6105 12.6105 12.6388 12.6388 k = 0.3333 0.5774-0.0000 ( 6930 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1461 -97.1461 -22.1910 -22.1910 -22.1910 -22.1910 -21.8640 -21.8640 -21.6621 -21.6621 -21.6388 -21.6388 -21.6388 -21.6388 -6.2359 -6.2359 -5.4972 -5.4972 -5.4897 -5.4894 -4.9111 -4.9047 -4.9047 -4.9020 -4.2134 -4.2134 -3.4162 -3.3895 -3.3895 -3.3860 -3.2747 -3.2747 -2.7202 -2.7202 -2.7118 -2.7049 -2.6957 -2.6957 -2.5158 -2.5158 -2.1301 -2.1194 -2.1190 -2.1190 -1.7250 -1.7250 -1.7110 -1.7057 -1.4794 -1.4794 10.1975 10.1991 10.2006 10.2006 10.2264 10.2264 13.0690 13.0690 13.5488 13.5514 k = 0.3333 0.5774 0.0147 ( 6912 PWs) bands (ev): -97.1464 -97.1464 -97.1464 -97.1464 -97.1461 -97.1461 -22.1952 -22.1952 -22.1866 -22.1866 -21.8641 -21.8641 -21.6621 -21.6621 -21.6401 -21.6401 -21.6376 -21.6376 -6.2354 -6.2353 -5.4986 -5.4961 -5.4908 -5.4885 -4.9176 -4.9152 -4.8953 -4.8942 -4.2154 -4.2140 -3.4218 -3.4040 -3.3808 -3.3753 -3.2752 -3.2730 -2.7239 -2.7185 -2.7171 -2.7010 -2.6988 -2.6893 -2.5143 -2.5138 -2.1353 -2.1280 -2.1144 -2.1103 -1.7270 -1.7233 -1.7116 -1.7053 -1.4800 -1.4797 10.1932 10.1956 10.2061 10.2083 10.2275 10.2275 13.0653 13.0654 13.5181 13.5233 k = 0.3333 0.5774 0.0295 ( 6906 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.1992 -22.1992 -22.1820 -22.1820 -21.8644 -21.8644 -21.6621 -21.6621 -21.6414 -21.6414 -21.6365 -21.6365 -6.2338 -6.2336 -5.5000 -5.4951 -5.4922 -5.4878 -4.9270 -4.9255 -4.8854 -4.8836 -4.2201 -4.2174 -3.4334 -3.4187 -3.3704 -3.3616 -3.2747 -3.2703 -2.7287 -2.7238 -2.7189 -2.7058 -2.6895 -2.6816 -2.5095 -2.5084 -2.1437 -2.1370 -2.1065 -2.1019 -1.7291 -1.7219 -1.7132 -1.7045 -1.4816 -1.4811 10.1910 10.1934 10.2166 10.2187 10.2308 10.2309 13.0545 13.0547 13.4803 13.4852 k = 0.3333 0.5774 0.0442 ( 6897 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2030 -22.2030 -22.1772 -22.1772 -21.8651 -21.8651 -21.6621 -21.6621 -21.6429 -21.6429 -21.6355 -21.6355 -6.2310 -6.2307 -5.5016 -5.4945 -5.4938 -5.4874 -4.9364 -4.9356 -4.8752 -4.8731 -4.2274 -4.2234 -3.4467 -3.4336 -3.3590 -3.3484 -3.2732 -3.2666 -2.7338 -2.7297 -2.7212 -2.7107 -2.6795 -2.6727 -2.5016 -2.5000 -2.1525 -2.1460 -2.0983 -2.0938 -1.7314 -1.7208 -1.7153 -1.7039 -1.4841 -1.4834 10.1916 10.1940 10.2298 10.2319 10.2364 10.2364 13.0368 13.0371 13.4369 13.4413 k = 0.3333 0.5774 0.0589 ( 6897 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2066 -22.2066 -22.1722 -22.1722 -21.8659 -21.8659 -21.6621 -21.6621 -21.6444 -21.6444 -21.6346 -21.6346 -6.2272 -6.2268 -5.5032 -5.4954 -5.4942 -5.4875 -4.9455 -4.9454 -4.8651 -4.8628 -4.2371 -4.2319 -3.4606 -3.4484 -3.3478 -3.3359 -3.2708 -3.2620 -2.7385 -2.7346 -2.7248 -2.7157 -2.6689 -2.6630 -2.4910 -2.4890 -2.1614 -2.1550 -2.0905 -2.0860 -1.7338 -1.7200 -1.7177 -1.7036 -1.4877 -1.4867 10.1949 10.1973 10.2439 10.2442 10.2457 10.2479 13.0126 13.0129 13.3881 13.3921 k = 0.3333 0.5774 0.0737 ( 6903 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2101 -22.2101 -22.1670 -22.1670 -21.8670 -21.8670 -21.6622 -21.6622 -21.6459 -21.6459 -21.6338 -21.6338 -6.2222 -6.2218 -5.5048 -5.4971 -5.4944 -5.4880 -4.9547 -4.9542 -4.8550 -4.8526 -4.2492 -4.2428 -3.4747 -3.4631 -3.3372 -3.3242 -3.2676 -3.2568 -2.7427 -2.7383 -2.7290 -2.7205 -2.6580 -2.6528 -2.4781 -2.4758 -2.1700 -2.1637 -2.0829 -2.0788 -1.7363 -1.7203 -1.7197 -1.7037 -1.4922 -1.4910 10.2010 10.2034 10.2539 10.2541 10.2642 10.2664 12.9823 12.9827 13.3344 13.3379 k = 0.3333 0.5774 0.0884 ( 6915 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2133 -22.2133 -22.1616 -22.1616 -21.8684 -21.8684 -21.6622 -21.6622 -21.6475 -21.6475 -21.6331 -21.6331 -6.2162 -6.2157 -5.5063 -5.4988 -5.4951 -5.4892 -4.9635 -4.9622 -4.8452 -4.8428 -4.2634 -4.2559 -3.4887 -3.4775 -3.3273 -3.3133 -3.2638 -3.2510 -2.7463 -2.7407 -2.7334 -2.7249 -2.6470 -2.6424 -2.4633 -2.4607 -2.1783 -2.1720 -2.0757 -2.0719 -1.7389 -1.7231 -1.7199 -1.7042 -1.4976 -1.4962 10.2099 10.2123 10.2660 10.2663 10.2854 10.2875 12.9465 12.9470 13.2759 13.2790 k = 0.3333 0.5774 0.1031 ( 6894 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2163 -22.2163 -22.1560 -22.1560 -21.8700 -21.8700 -21.6622 -21.6622 -21.6492 -21.6492 -21.6325 -21.6325 -6.2091 -6.2085 -5.5078 -5.5005 -5.4964 -5.4909 -4.9717 -4.9696 -4.8357 -4.8332 -4.2795 -4.2710 -3.5024 -3.4916 -3.3183 -3.3033 -3.2595 -3.2449 -2.7493 -2.7419 -2.7376 -2.7285 -2.6360 -2.6320 -2.4470 -2.4441 -2.1861 -2.1798 -2.0688 -2.0655 -1.7415 -1.7260 -1.7206 -1.7052 -1.5039 -1.5023 10.2215 10.2239 10.2803 10.2807 10.3091 10.3112 12.9057 12.9063 13.2131 13.2158 k = 0.3333 0.5774 0.1179 ( 6894 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2192 -22.2192 -22.1503 -22.1503 -21.8719 -21.8719 -21.6622 -21.6622 -21.6509 -21.6509 -21.6320 -21.6320 -6.2010 -6.2002 -5.5093 -5.5021 -5.4984 -5.4934 -4.9792 -4.9762 -4.8265 -4.8241 -4.2974 -4.2880 -3.5158 -3.5053 -3.3102 -3.2942 -3.2551 -3.2387 -2.7518 -2.7420 -2.7413 -2.7309 -2.6252 -2.6218 -2.4293 -2.4262 -2.1932 -2.1869 -2.0623 -2.0596 -1.7441 -1.7290 -1.7218 -1.7068 -1.5112 -1.5093 10.2358 10.2383 10.2968 10.2972 10.3354 10.3374 12.8605 12.8612 13.1464 13.1487 k = 0.3333 0.5774 0.1326 ( 6888 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2219 -22.2219 -22.1443 -22.1443 -21.8741 -21.8741 -21.6622 -21.6622 -21.6526 -21.6526 -21.6316 -21.6316 -6.1918 -6.1910 -5.5106 -5.5038 -5.5011 -5.4966 -4.9859 -4.9820 -4.8176 -4.8154 -4.3168 -4.3066 -3.5288 -3.5185 -3.3030 -3.2860 -3.2506 -3.2325 -2.7539 -2.7445 -2.7408 -2.7318 -2.6149 -2.6120 -2.4106 -2.4073 -2.1994 -2.1931 -2.0562 -2.0541 -1.7468 -1.7322 -1.7235 -1.7090 -1.5193 -1.5172 10.2528 10.2553 10.3155 10.3159 10.3641 10.3660 12.8114 12.8121 13.0763 13.0782 k = 0.3333 0.5774 0.1473 ( 6882 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2244 -22.2244 -22.1382 -22.1382 -21.8765 -21.8765 -21.6621 -21.6621 -21.6543 -21.6543 -21.6314 -21.6314 -6.1817 -6.1807 -5.5118 -5.5056 -5.5047 -5.5005 -4.9917 -4.9868 -4.8093 -4.8071 -4.3376 -4.3266 -3.5412 -3.5312 -3.2967 -3.2788 -3.2462 -3.2266 -2.7556 -2.7468 -2.7385 -2.7314 -2.6052 -2.6028 -2.3910 -2.3876 -2.2046 -2.1983 -2.0504 -2.0490 -1.7495 -1.7354 -1.7259 -1.7118 -1.5282 -1.5259 10.2725 10.2750 10.3363 10.3367 10.3951 10.3970 12.7588 12.7595 13.0032 13.0047 k = 0.3333 0.5774 0.1621 ( 6870 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2267 -22.2267 -22.1319 -22.1319 -21.8792 -21.8792 -21.6620 -21.6620 -21.6561 -21.6561 -21.6312 -21.6312 -6.1705 -6.1695 -5.5129 -5.5092 -5.5082 -5.5043 -4.9965 -4.9906 -4.8014 -4.7994 -4.3595 -4.3479 -3.5530 -3.5432 -3.2913 -3.2725 -3.2421 -3.2211 -2.7566 -2.7483 -2.7352 -2.7295 -2.5963 -2.5945 -2.3707 -2.3672 -2.2085 -2.2022 -2.0450 -2.0442 -1.7523 -1.7388 -1.7289 -1.7151 -1.5380 -1.5354 10.2949 10.2974 10.3592 10.3597 10.4284 10.4302 12.7031 12.7038 12.9276 12.9289 k = 0.3333 0.5774 0.1768 ( 6873 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2289 -22.2289 -22.1255 -22.1255 -21.8822 -21.8822 -21.6619 -21.6618 -21.6578 -21.6578 -21.6312 -21.6312 -6.1584 -6.1573 -5.5148 -5.5138 -5.5133 -5.5066 -5.0002 -4.9934 -4.7940 -4.7922 -4.3825 -4.3702 -3.5641 -3.5544 -3.2868 -3.2670 -3.2385 -3.2161 -2.7569 -2.7488 -2.7310 -2.7265 -2.5885 -2.5871 -2.3499 -2.3463 -2.2110 -2.2046 -2.0397 -2.0397 -1.7551 -1.7424 -1.7325 -1.7192 -1.5485 -1.5457 10.3198 10.3223 10.3842 10.3848 10.4639 10.4656 12.6448 12.6455 12.8501 12.8510 k = 0.3333 0.5774 0.1915 ( 6873 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2309 -22.2309 -22.1189 -22.1189 -21.8855 -21.8855 -21.6617 -21.6616 -21.6595 -21.6595 -21.6313 -21.6313 -6.1455 -6.1442 -5.5213 -5.5202 -5.5146 -5.5080 -5.0027 -4.9949 -4.7872 -4.7856 -4.4062 -4.3934 -3.5744 -3.5650 -3.2829 -3.2623 -3.2353 -3.2118 -2.7565 -2.7484 -2.7261 -2.7226 -2.5818 -2.5809 -2.3286 -2.3249 -2.2119 -2.2054 -2.0355 -2.0347 -1.7581 -1.7460 -1.7368 -1.7238 -1.5597 -1.5567 10.3472 10.3498 10.4113 10.4120 10.5014 10.5031 12.5842 12.5849 12.7710 12.7717 k = 0.3333 0.5774 0.2063 ( 6882 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2327 -22.2327 -22.1122 -22.1122 -21.8890 -21.8890 -21.6614 -21.6614 -21.6612 -21.6612 -21.6315 -21.6315 -6.1316 -6.1302 -5.5290 -5.5285 -5.5153 -5.5091 -5.0040 -4.9953 -4.7810 -4.7796 -4.4306 -4.4173 -3.5840 -3.5748 -3.2798 -3.2582 -3.2327 -3.2082 -2.7551 -2.7470 -2.7205 -2.7179 -2.5764 -2.5760 -2.3070 -2.3033 -2.2112 -2.2046 -2.0314 -2.0299 -1.7612 -1.7499 -1.7417 -1.7291 -1.5715 -1.5684 10.3771 10.3797 10.4405 10.4412 10.5409 10.5425 12.5217 12.5224 12.6908 12.6913 k = 0.3333 0.5774 0.2210 ( 6882 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2344 -22.2344 -22.1053 -22.1053 -21.8929 -21.8929 -21.6629 -21.6629 -21.6611 -21.6610 -21.6318 -21.6318 -6.1169 -6.1154 -5.5378 -5.5378 -5.5158 -5.5100 -5.0041 -4.9944 -4.7754 -4.7742 -4.4555 -4.4417 -3.5927 -3.5838 -3.2772 -3.2548 -3.2307 -3.2053 -2.7529 -2.7447 -2.7146 -2.7126 -2.5724 -2.5723 -2.2852 -2.2814 -2.2086 -2.2020 -2.0274 -2.0251 -1.7644 -1.7540 -1.7472 -1.7350 -1.5840 -1.5806 10.4095 10.4121 10.4717 10.4725 10.5821 10.5836 12.4576 12.4582 12.6100 12.6102 k = 0.3333 0.5774 0.2358 ( 6882 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2360 -22.2360 -22.0983 -22.0983 -21.8970 -21.8970 -21.6645 -21.6645 -21.6606 -21.6606 -21.6321 -21.6321 -6.1014 -6.0998 -5.5483 -5.5477 -5.5162 -5.5107 -5.0028 -4.9923 -4.7703 -4.7694 -4.4807 -4.4665 -3.6006 -3.5920 -3.2750 -3.2519 -3.2294 -3.2031 -2.7499 -2.7416 -2.7083 -2.7070 -2.5700 -2.5697 -2.2632 -2.2595 -2.2043 -2.1976 -2.0235 -2.0203 -1.7679 -1.7583 -1.7534 -1.7415 -1.5970 -1.5934 10.4441 10.4468 10.5048 10.5057 10.6249 10.6264 12.3921 12.3927 12.5288 12.5289 k = 0.3333 0.5774 0.2505 ( 6873 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1461 -97.1461 -22.2374 -22.2374 -22.0912 -22.0912 -21.9014 -21.9013 -21.6661 -21.6661 -21.6602 -21.6602 -21.6326 -21.6326 -6.0852 -6.0835 -5.5599 -5.5588 -5.5165 -5.5113 -5.0002 -4.9889 -4.7658 -4.7651 -4.5062 -4.4916 -3.6077 -3.5993 -3.2732 -3.2495 -3.2286 -3.2017 -2.7461 -2.7377 -2.7020 -2.7011 -2.5689 -2.5683 -2.2413 -2.2377 -2.1984 -2.1916 -2.0194 -2.0155 -1.7716 -1.7629 -1.7602 -1.7485 -1.6105 -1.6067 10.4810 10.4837 10.5399 10.5408 10.6691 10.6705 12.3256 12.3262 12.4476 12.4477 k = 0.3333 0.5774 0.2652 ( 6879 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1462 -97.1462 -22.2387 -22.2387 -22.0840 -22.0840 -21.9060 -21.9060 -21.6676 -21.6676 -21.6596 -21.6596 -21.6332 -21.6332 -6.0682 -6.0664 -5.5725 -5.5710 -5.5166 -5.5118 -4.9963 -4.9842 -4.7619 -4.7615 -4.5317 -4.5168 -3.6140 -3.6060 -3.2718 -3.2473 -3.2284 -3.2010 -2.7416 -2.7332 -2.6957 -2.6953 -2.5690 -2.5681 -2.2196 -2.2161 -2.1909 -2.1839 -2.0153 -2.0107 -1.7755 -1.7679 -1.7676 -1.7560 -1.6244 -1.6205 10.5199 10.5227 10.5767 10.5778 10.7144 10.7157 12.2584 12.2590 12.3667 12.3669 k = 0.3333 0.5774 0.2800 ( 6885 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1462 -97.1462 -22.2399 -22.2399 -22.0768 -22.0767 -21.9109 -21.9109 -21.6691 -21.6691 -21.6590 -21.6590 -21.6339 -21.6339 -6.0506 -6.0487 -5.5862 -5.5842 -5.5167 -5.5122 -4.9910 -4.9783 -4.7585 -4.7584 -4.5573 -4.5420 -3.6195 -3.6118 -3.2705 -3.2455 -3.2288 -3.2009 -2.7365 -2.7281 -2.6896 -2.6896 -2.5700 -2.5689 -2.1980 -2.1950 -2.1820 -2.1746 -2.0111 -2.0057 -1.7796 -1.7754 -1.7732 -1.7638 -1.6387 -1.6346 10.5609 10.5637 10.6153 10.6165 10.7606 10.7618 12.1908 12.1913 12.2865 12.2869 k = 0.3333 0.5774 0.2947 ( 6885 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1462 -97.1462 -22.2409 -22.2409 -22.0694 -22.0694 -21.9161 -21.9161 -21.6705 -21.6705 -21.6583 -21.6583 -21.6346 -21.6346 -6.0324 -6.0303 -5.6008 -5.5985 -5.5166 -5.5125 -4.9845 -4.9711 -4.7557 -4.7557 -4.5828 -4.5672 -3.6242 -3.6170 -3.2693 -3.2438 -3.2296 -3.2013 -2.7310 -2.7226 -2.6843 -2.6838 -2.5719 -2.5706 -2.1768 -2.1751 -2.1720 -2.1632 -2.0068 -2.0007 -1.7839 -1.7838 -1.7793 -1.7716 -1.6532 -1.6489 10.6037 10.6065 10.6555 10.6568 10.8072 10.8084 12.1231 12.1235 12.2073 12.2079 k = 0.3333 0.5774 0.3094 ( 6885 PWs) bands (ev): -97.1464 -97.1464 -97.1463 -97.1463 -97.1462 -97.1462 -22.2418 -22.2418 -22.0619 -22.0619 -21.9215 -21.9215 -21.6718 -21.6717 -21.6575 -21.6575 -21.6355 -21.6355 -6.0136 -6.0114 -5.6164 -5.6138 -5.5164 -5.5127 -4.9766 -4.9628 -4.7536 -4.7533 -4.6081 -4.5921 -3.6282 -3.6215 -3.2683 -3.2422 -3.2308 -3.2022 -2.7251 -2.7168 -2.6793 -2.6785 -2.5743 -2.5730 -2.1610 -2.1587 -2.1560 -2.1479 -2.0023 -1.9957 -1.7925 -1.7883 -1.7865 -1.7787 -1.6679 -1.6635 10.6481 10.6510 10.6971 10.6985 10.8540 10.8551 12.0556 12.0559 12.1295 12.1302 k = 0.3333 0.5774 0.3242 ( 6870 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2427 -22.2427 -22.0544 -22.0544 -21.9272 -21.9272 -21.6729 -21.6729 -21.6567 -21.6566 -21.6364 -21.6364 -5.9943 -5.9920 -5.6329 -5.6300 -5.5162 -5.5128 -4.9675 -4.9532 -4.7519 -4.7513 -4.6331 -4.6168 -3.6316 -3.6254 -3.2672 -3.2407 -3.2324 -3.2036 -2.7191 -2.7109 -2.6749 -2.6738 -2.5771 -2.5757 -2.1494 -2.1456 -2.1357 -2.1291 -1.9978 -1.9906 -1.8016 -1.7949 -1.7927 -1.7849 -1.6826 -1.6781 10.6938 10.6969 10.7399 10.7415 10.9004 10.9013 11.9888 11.9890 12.0533 12.0542 k = 0.3333 0.5774 0.3389 ( 6873 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2434 -22.2434 -22.0469 -22.0469 -21.9331 -21.9331 -21.6740 -21.6740 -21.6557 -21.6557 -21.6374 -21.6374 -5.9745 -5.9721 -5.6501 -5.6470 -5.5159 -5.5129 -4.9571 -4.9424 -4.7506 -4.7497 -4.6577 -4.6411 -3.6343 -3.6287 -3.2661 -3.2392 -3.2343 -3.2053 -2.7129 -2.7048 -2.6712 -2.6698 -2.5801 -2.5787 -2.1375 -2.1333 -2.1161 -2.1099 -1.9934 -1.9858 -1.8108 -1.8040 -1.7971 -1.7904 -1.6973 -1.6927 10.7406 10.7438 10.7836 10.7853 10.9458 10.9467 11.9231 11.9232 11.9792 11.9803 k = 0.3333 0.5774 0.3536 ( 6873 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2440 -22.2440 -22.0393 -22.0393 -21.9392 -21.9392 -21.6750 -21.6750 -21.6548 -21.6547 -21.6384 -21.6384 -5.9544 -5.9519 -5.6680 -5.6648 -5.5156 -5.5130 -4.9456 -4.9306 -4.7498 -4.7484 -4.6819 -4.6649 -3.6365 -3.6314 -3.2649 -3.2377 -3.2364 -3.2072 -2.7068 -2.6988 -2.6681 -2.6664 -2.5831 -2.5818 -2.1255 -2.1213 -2.0972 -2.0910 -1.9894 -1.9814 -1.8199 -1.8135 -1.8011 -1.7952 -1.7118 -1.7072 10.7880 10.7913 10.8277 10.8297 10.9895 10.9903 11.8589 11.8592 11.9077 11.9089 k = 0.3333 0.5774 0.3684 ( 6873 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2445 -22.2445 -22.0318 -22.0317 -21.9455 -21.9455 -21.6758 -21.6758 -21.6537 -21.6537 -21.6395 -21.6395 -5.9339 -5.9313 -5.6866 -5.6833 -5.5153 -5.5130 -4.9329 -4.9177 -4.7495 -4.7474 -4.7057 -4.6880 -3.6382 -3.6338 -3.2636 -3.2386 -3.2361 -3.2094 -2.7008 -2.6929 -2.6658 -2.6639 -2.5861 -2.5849 -2.1138 -2.1098 -2.0793 -2.0729 -1.9859 -1.9777 -1.8289 -1.8228 -1.8046 -1.7993 -1.7260 -1.7214 10.8354 10.8389 10.8716 10.8739 11.0308 11.0315 11.7972 11.7977 11.8393 11.8407 k = 0.3333 0.5774 0.3831 ( 6870 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2450 -22.2450 -22.0242 -22.0242 -21.9520 -21.9520 -21.6766 -21.6766 -21.6526 -21.6526 -21.6406 -21.6406 -5.9132 -5.9105 -5.7058 -5.7024 -5.5149 -5.5130 -4.9191 -4.9037 -4.7499 -4.7466 -4.7288 -4.7099 -3.6395 -3.6357 -3.2622 -3.2410 -3.2344 -3.2116 -2.6951 -2.6872 -2.6643 -2.6622 -2.5888 -2.5877 -2.1026 -2.0990 -2.0624 -2.0557 -1.9833 -1.9750 -1.8373 -1.8319 -1.8073 -1.8023 -1.7397 -1.7351 10.8820 10.8857 10.9144 10.9170 11.0686 11.0692 11.7390 11.7398 11.7750 11.7766 k = 0.3333 0.5774 0.3978 ( 6876 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2454 -22.2454 -22.0166 -22.0166 -21.9587 -21.9587 -21.6772 -21.6772 -21.6515 -21.6515 -21.6418 -21.6418 -5.8922 -5.8894 -5.7255 -5.7221 -5.5146 -5.5131 -4.9042 -4.8887 -4.7528 -4.7514 -4.7460 -4.7290 -3.6404 -3.6373 -3.2606 -3.2434 -3.2327 -3.2140 -2.6898 -2.6820 -2.6635 -2.6613 -2.5911 -2.5902 -2.0925 -2.0893 -2.0466 -2.0396 -1.9819 -1.9738 -1.8449 -1.8403 -1.8087 -1.8039 -1.7527 -1.7483 10.9265 10.9304 10.9546 10.9576 11.1019 11.1024 11.6858 11.6870 11.7159 11.7178 k = 0.3333 0.5774 0.4126 ( 6876 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2456 -22.2456 -22.0091 -22.0091 -21.9656 -21.9656 -21.6777 -21.6777 -21.6503 -21.6503 -21.6430 -21.6430 -5.8712 -5.8683 -5.7456 -5.7422 -5.5143 -5.5131 -4.8884 -4.8728 -4.7732 -4.7635 -4.7455 -4.7398 -3.6409 -3.6386 -3.2589 -3.2459 -3.2309 -3.2163 -2.6850 -2.6771 -2.6635 -2.6612 -2.5930 -2.5923 -2.0838 -2.0812 -2.0324 -2.0247 -1.9822 -1.9745 -1.8513 -1.8476 -1.8085 -1.8036 -1.7648 -1.7607 10.9673 10.9714 10.9902 10.9936 11.1296 11.1299 11.6399 11.6415 11.6638 11.6660 k = 0.3333 0.5774 0.4273 ( 6888 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2458 -22.2458 -22.0016 -22.0016 -21.9726 -21.9725 -21.6780 -21.6780 -21.6491 -21.6491 -21.6442 -21.6442 -5.8500 -5.8471 -5.7661 -5.7626 -5.5140 -5.5133 -4.8716 -4.8559 -4.7943 -4.7814 -4.7451 -4.7429 -3.6411 -3.6396 -3.2570 -3.2483 -3.2291 -3.2186 -2.6810 -2.6728 -2.6640 -2.6620 -2.5943 -2.5939 -2.0769 -2.0751 -2.0199 -2.0114 -1.9843 -1.9774 -1.8561 -1.8535 -1.8067 -1.8014 -1.7756 -1.7720 11.0016 11.0059 11.0182 11.0221 11.1503 11.1506 11.6043 11.6064 11.6213 11.6238 k = 0.3333 0.5774 0.4420 ( 6882 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2459 -22.2459 -21.9942 -21.9942 -21.9797 -21.9797 -21.6782 -21.6782 -21.6479 -21.6479 -21.6454 -21.6454 -5.8289 -5.8259 -5.7868 -5.7833 -5.5138 -5.5134 -4.8540 -4.8382 -4.8144 -4.8007 -4.7448 -4.7439 -3.6411 -3.6403 -3.2550 -3.2506 -3.2274 -3.2205 -2.6782 -2.6690 -2.6647 -2.6636 -2.5951 -2.5949 -2.0724 -2.0714 -2.0099 -1.9998 -1.9879 -1.9826 -1.8589 -1.8576 -1.8034 -1.7969 -1.7844 -1.7820 11.0263 11.0307 11.0352 11.0396 11.1633 11.1634 11.5825 11.5851 11.5917 11.5943 k = 0.3333 0.5774 0.4568 ( 6888 PWs) bands (ev): -97.1464 -97.1464 -97.1462 -97.1462 -97.1462 -97.1462 -22.2460 -22.2460 -21.9869 -21.9869 -21.9869 -21.9869 -21.6783 -21.6783 -21.6467 -21.6467 -21.6467 -21.6467 -5.8078 -5.8078 -5.8076 -5.8016 -5.5136 -5.5136 -4.8396 -4.8297 -4.8198 -4.8198 -4.7444 -4.7444 -3.6408 -3.6408 -3.2529 -3.2529 -3.2265 -3.2214 -2.6771 -2.6660 -2.6660 -2.6651 -2.5953 -2.5953 -2.0705 -2.0705 -2.0052 -1.9905 -1.9901 -1.9901 -1.8594 -1.8594 -1.8010 -1.7904 -1.7904 -1.7887 11.0382 11.0382 11.0414 11.0439 11.1677 11.1677 11.5770 11.5792 11.5808 11.5808 Writing output data file BeF2.save init_run : 0.50s CPU 1.13s WALL ( 1 calls) electrons : 670.84s CPU 674.01s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.32s WALL ( 1 calls) potinit : 0.06s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 670.83s CPU 674.00s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.12s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 316 calls) cegterg : 635.87s CPU 638.72s WALL ( 794 calls) Called by sum_band: Called by *egterg: h_psi : 386.08s CPU 393.07s WALL ( 14200 calls) s_psi : 12.79s CPU 13.16s WALL ( 14200 calls) g_psi : 1.28s CPU 1.31s WALL ( 13090 calls) cdiaghg : 182.79s CPU 178.09s WALL ( 13406 calls) cegterg:over : 30.71s CPU 27.68s WALL ( 13090 calls) cegterg:upda : 11.69s CPU 16.16s WALL ( 13090 calls) cegterg:last : 9.10s CPU 9.96s WALL ( 2174 calls) Called by h_psi: h_psi:vloc : 364.03s CPU 367.88s WALL ( 14200 calls) h_psi:vnl : 21.76s CPU 24.51s WALL ( 14200 calls) add_vuspsi : 7.48s CPU 10.05s WALL ( 14200 calls) General routines calbec : 14.27s CPU 14.42s WALL ( 14200 calls) fft : 0.04s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 356.19s CPU 343.84s WALL ( 1690752 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.22s WALL ( 632 calls) Parallel routines fft_scatter : 306.81s CPU 200.57s WALL ( 1690775 calls) PWSCF : 11m42.08s CPU 12m 7.96s WALL This run was terminated on: 2:21:19 28Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=