Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:35:49 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AuCClO.save/ file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 112 49 14 4915 1443 226 Max 114 50 15 4920 1466 228 Sum 4037 1779 517 177037 52241 8175 bravais-lattice index = 14 lattice parameter (alat) = 15.9862 a.u. unit-cell volume = 1200.2920 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 4 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.986209 celldm(2)= 1.000000 celldm(3)= 0.628994 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.884208 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.884208 0.467094 0.000000 ) a(3) = ( 0.000000 0.000000 0.628994 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.893000 -0.000000 ) b(2) = ( 0.000000 2.140899 -0.000000 ) b(3) = ( 0.000000 0.000000 1.589840 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca 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 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Cl 7.00 35.45300 Cl( 1.00) C 4.00 12.01070 C( 1.00) Au 11.00 196.96660 Au( 1.00) 4 Sym. Ops., with inversion, found ( 2 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) 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 ) ( 0.3144971 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3144971 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 348 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0064723 0.0261085 -0.0000000), wk = 0.0028736 k( 3) = ( 0.0129446 0.0522170 -0.0000000), wk = 0.0028736 k( 4) = ( 0.0194168 0.0783256 -0.0000000), wk = 0.0028736 k( 5) = ( 0.0258891 0.1044341 -0.0000000), wk = 0.0028736 k( 6) = ( 0.0323614 0.1305426 -0.0000000), wk = 0.0028736 k( 7) = ( 0.0388337 0.1566511 -0.0000000), wk = 0.0028736 k( 8) = ( 0.0453060 0.1827596 -0.0000000), wk = 0.0028736 k( 9) = ( 0.0517782 0.2088682 -0.0000000), wk = 0.0028736 k( 10) = ( 0.0582505 0.2349767 -0.0000000), wk = 0.0028736 k( 11) = ( 0.0647228 0.2610852 -0.0000000), wk = 0.0028736 k( 12) = ( 0.0711951 0.2871937 -0.0000000), wk = 0.0028736 k( 13) = ( 0.0776674 0.3133023 -0.0000000), wk = 0.0028736 k( 14) = ( 0.0841396 0.3394108 -0.0000000), wk = 0.0028736 k( 15) = ( 0.0906119 0.3655193 -0.0000000), wk = 0.0028736 k( 16) = ( 0.0970842 0.3916278 -0.0000000), wk = 0.0028736 k( 17) = ( 0.1035565 0.4177363 -0.0000000), wk = 0.0028736 k( 18) = ( 0.1100288 0.4438449 -0.0000000), wk = 0.0028736 k( 19) = ( 0.1165010 0.4699534 -0.0000000), wk = 0.0028736 k( 20) = ( 0.1229733 0.4960619 -0.0000000), wk = 0.0028736 k( 21) = ( 0.1294456 0.5221704 -0.0000000), wk = 0.0028736 k( 22) = ( 0.1359179 0.5482789 -0.0000000), wk = 0.0028736 k( 23) = ( 0.1423902 0.5743875 -0.0000000), wk = 0.0028736 k( 24) = ( 0.1488625 0.6004960 -0.0000000), wk = 0.0028736 k( 25) = ( 0.1553347 0.6266045 -0.0000000), wk = 0.0028736 k( 26) = ( 0.1618070 0.6527130 -0.0000000), wk = 0.0028736 k( 27) = ( 0.1682793 0.6788215 -0.0000000), wk = 0.0028736 k( 28) = ( 0.1747516 0.7049301 -0.0000000), wk = 0.0028736 k( 29) = ( 0.1812238 0.7310386 -0.0000000), wk = 0.0028736 k( 30) = ( 0.1876961 0.7571471 -0.0000000), wk = 0.0028736 k( 31) = ( 0.1941684 0.7832556 -0.0000000), wk = 0.0028736 k( 32) = ( 0.2006407 0.8093641 -0.0000000), wk = 0.0028736 k( 33) = ( 0.2071130 0.8354727 -0.0000000), wk = 0.0028736 k( 34) = ( 0.2135853 0.8615812 -0.0000000), wk = 0.0028736 k( 35) = ( 0.2200575 0.8876897 -0.0000000), wk = 0.0028736 k( 36) = ( 0.2265298 0.9137983 -0.0000000), wk = 0.0028736 k( 37) = ( 0.2330021 0.9399068 -0.0000000), wk = 0.0028736 k( 38) = ( 0.2394744 0.9660153 -0.0000000), wk = 0.0028736 k( 39) = ( 0.2459467 0.9921238 -0.0000000), wk = 0.0028736 k( 40) = ( 0.2524189 1.0182323 -0.0000000), wk = 0.0028736 k( 41) = ( 0.2588912 1.0443409 -0.0000000), wk = 0.0028736 k( 42) = ( 0.2653635 1.0704494 -0.0000000), wk = 0.0028736 k( 43) = ( 0.2653635 1.0704494 -0.0000000), wk = 0.0028736 k( 44) = ( 0.2388271 1.0704494 -0.0000000), wk = 0.0028736 k( 45) = ( 0.2122908 1.0704494 -0.0000000), wk = 0.0028736 k( 46) = ( 0.1857544 1.0704494 -0.0000000), wk = 0.0028736 k( 47) = ( 0.1592181 1.0704494 -0.0000000), wk = 0.0028736 k( 48) = ( 0.1326817 1.0704494 -0.0000000), wk = 0.0028736 k( 49) = ( 0.1061454 1.0704494 -0.0000000), wk = 0.0028736 k( 50) = ( 0.0796091 1.0704494 -0.0000000), wk = 0.0028736 k( 51) = ( 0.0530727 1.0704494 -0.0000000), wk = 0.0028736 k( 52) = ( 0.0265364 1.0704494 -0.0000000), wk = 0.0028736 k( 53) = ( 0.0000000 1.0704494 -0.0000000), wk = 0.0028736 k( 54) = ( 0.0000000 1.0704494 -0.0000000), wk = 0.0028736 k( 55) = ( 0.0000000 1.0704494 0.0264973), wk = 0.0028736 k( 56) = ( 0.0000000 1.0704494 0.0529947), wk = 0.0028736 k( 57) = ( 0.0000000 1.0704494 0.0794920), wk = 0.0028736 k( 58) = ( 0.0000000 1.0704494 0.1059893), wk = 0.0028736 k( 59) = ( 0.0000000 1.0704494 0.1324866), wk = 0.0028736 k( 60) = ( 0.0000000 1.0704494 0.1589840), wk = 0.0028736 k( 61) = ( 0.0000000 1.0704494 0.1854813), wk = 0.0028736 k( 62) = ( 0.0000000 1.0704494 0.2119786), wk = 0.0028736 k( 63) = ( 0.0000000 1.0704494 0.2384760), wk = 0.0028736 k( 64) = ( 0.0000000 1.0704494 0.2649733), wk = 0.0028736 k( 65) = ( 0.0000000 1.0704494 0.2914706), wk = 0.0028736 k( 66) = ( 0.0000000 1.0704494 0.3179680), wk = 0.0028736 k( 67) = ( 0.0000000 1.0704494 0.3444653), wk = 0.0028736 k( 68) = ( 0.0000000 1.0704494 0.3709626), wk = 0.0028736 k( 69) = ( 0.0000000 1.0704494 0.3974600), wk = 0.0028736 k( 70) = ( 0.0000000 1.0704494 0.4239573), wk = 0.0028736 k( 71) = ( 0.0000000 1.0704494 0.4504546), wk = 0.0028736 k( 72) = ( 0.0000000 1.0704494 0.4769520), wk = 0.0028736 k( 73) = ( 0.0000000 1.0704494 0.5034493), wk = 0.0028736 k( 74) = ( 0.0000000 1.0704494 0.5299466), wk = 0.0028736 k( 75) = ( 0.0000000 1.0704494 0.5564440), wk = 0.0028736 k( 76) = ( 0.0000000 1.0704494 0.5829413), wk = 0.0028736 k( 77) = ( 0.0000000 1.0704494 0.6094386), wk = 0.0028736 k( 78) = ( 0.0000000 1.0704494 0.6359359), wk = 0.0028736 k( 79) = ( 0.0000000 1.0704494 0.6624333), wk = 0.0028736 k( 80) = ( 0.0000000 1.0704494 0.6889306), wk = 0.0028736 k( 81) = ( 0.0000000 1.0704494 0.7154279), wk = 0.0028736 k( 82) = ( 0.0000000 1.0704494 0.7419253), wk = 0.0028736 k( 83) = ( 0.0000000 1.0704494 0.7684226), wk = 0.0028736 k( 84) = ( 0.0000000 1.0704494 0.7949199), wk = 0.0028736 k( 85) = ( 0.0000000 1.0704494 0.7949199), wk = 0.0028736 k( 86) = ( 0.0265364 1.0704494 0.7949199), wk = 0.0028736 k( 87) = ( 0.0530727 1.0704494 0.7949199), wk = 0.0028736 k( 88) = ( 0.0796091 1.0704494 0.7949199), wk = 0.0028736 k( 89) = ( 0.1061454 1.0704494 0.7949199), wk = 0.0028736 k( 90) = ( 0.1326817 1.0704494 0.7949199), wk = 0.0028736 k( 91) = ( 0.1592181 1.0704494 0.7949199), wk = 0.0028736 k( 92) = ( 0.1857544 1.0704494 0.7949199), wk = 0.0028736 k( 93) = ( 0.2122908 1.0704494 0.7949199), wk = 0.0028736 k( 94) = ( 0.2388271 1.0704494 0.7949199), wk = 0.0028736 k( 95) = ( 0.2653635 1.0704494 0.7949199), wk = 0.0028736 k( 96) = ( 0.2653635 1.0704494 0.7949199), wk = 0.0028736 k( 97) = ( 0.2588912 1.0443409 0.7949199), wk = 0.0028736 k( 98) = ( 0.2524189 1.0182323 0.7949199), wk = 0.0028736 k( 99) = ( 0.2459467 0.9921238 0.7949199), wk = 0.0028736 k( 100) = ( 0.2394744 0.9660153 0.7949199), wk = 0.0028736 k( 101) = ( 0.2330021 0.9399068 0.7949199), wk = 0.0028736 k( 102) = ( 0.2265298 0.9137983 0.7949199), wk = 0.0028736 k( 103) = ( 0.2200575 0.8876897 0.7949199), wk = 0.0028736 k( 104) = ( 0.2135853 0.8615812 0.7949199), wk = 0.0028736 k( 105) = ( 0.2071130 0.8354727 0.7949199), wk = 0.0028736 k( 106) = ( 0.2006407 0.8093641 0.7949199), wk = 0.0028736 k( 107) = ( 0.1941684 0.7832556 0.7949199), wk = 0.0028736 k( 108) = ( 0.1876961 0.7571471 0.7949199), wk = 0.0028736 k( 109) = ( 0.1812238 0.7310386 0.7949199), wk = 0.0028736 k( 110) = ( 0.1747516 0.7049301 0.7949199), wk = 0.0028736 k( 111) = ( 0.1682793 0.6788215 0.7949199), wk = 0.0028736 k( 112) = ( 0.1618070 0.6527130 0.7949199), wk = 0.0028736 k( 113) = ( 0.1553347 0.6266045 0.7949199), wk = 0.0028736 k( 114) = ( 0.1488625 0.6004960 0.7949199), wk = 0.0028736 k( 115) = ( 0.1423902 0.5743875 0.7949199), wk = 0.0028736 k( 116) = ( 0.1359179 0.5482789 0.7949199), wk = 0.0028736 k( 117) = ( 0.1294456 0.5221704 0.7949199), wk = 0.0028736 k( 118) = ( 0.1229733 0.4960619 0.7949199), wk = 0.0028736 k( 119) = ( 0.1165010 0.4699534 0.7949199), wk = 0.0028736 k( 120) = ( 0.1100288 0.4438449 0.7949199), wk = 0.0028736 k( 121) = ( 0.1035565 0.4177363 0.7949199), wk = 0.0028736 k( 122) = ( 0.0970842 0.3916278 0.7949199), wk = 0.0028736 k( 123) = ( 0.0906119 0.3655193 0.7949199), wk = 0.0028736 k( 124) = ( 0.0841396 0.3394108 0.7949199), wk = 0.0028736 k( 125) = ( 0.0776674 0.3133023 0.7949199), wk = 0.0028736 k( 126) = ( 0.0711951 0.2871937 0.7949199), wk = 0.0028736 k( 127) = ( 0.0647228 0.2610852 0.7949199), wk = 0.0028736 k( 128) = ( 0.0582505 0.2349767 0.7949199), wk = 0.0028736 k( 129) = ( 0.0517782 0.2088682 0.7949199), wk = 0.0028736 k( 130) = ( 0.0453060 0.1827596 0.7949199), wk = 0.0028736 k( 131) = ( 0.0388337 0.1566511 0.7949199), wk = 0.0028736 k( 132) = ( 0.0323614 0.1305426 0.7949199), wk = 0.0028736 k( 133) = ( 0.0258891 0.1044341 0.7949199), wk = 0.0028736 k( 134) = ( 0.0194168 0.0783256 0.7949199), wk = 0.0028736 k( 135) = ( 0.0129446 0.0522170 0.7949199), wk = 0.0028736 k( 136) = ( 0.0064723 0.0261085 0.7949199), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.7949199), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.7949199), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.7684226), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.7419253), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.7154279), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.6889306), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.6624333), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.6359359), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.6094386), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.5829413), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.5564440), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.5299466), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.5034493), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.4769520), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.4504546), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.4239573), wk = 0.0028736 k( 153) = ( 0.0000000 0.0000000 0.3974600), wk = 0.0028736 k( 154) = ( 0.0000000 0.0000000 0.3709626), wk = 0.0028736 k( 155) = ( 0.0000000 0.0000000 0.3444653), wk = 0.0028736 k( 156) = ( 0.0000000 0.0000000 0.3179680), wk = 0.0028736 k( 157) = ( 0.0000000 0.0000000 0.2914706), wk = 0.0028736 k( 158) = ( 0.0000000 0.0000000 0.2649733), wk = 0.0028736 k( 159) = ( 0.0000000 0.0000000 0.2384760), wk = 0.0028736 k( 160) = ( 0.0000000 0.0000000 0.2119786), wk = 0.0028736 k( 161) = ( 0.0000000 0.0000000 0.1854813), wk = 0.0028736 k( 162) = ( 0.0000000 0.0000000 0.1589840), wk = 0.0028736 k( 163) = ( 0.0000000 0.0000000 0.1324866), wk = 0.0028736 k( 164) = ( 0.0000000 0.0000000 0.1059893), wk = 0.0028736 k( 165) = ( 0.0000000 0.0000000 0.0794920), wk = 0.0028736 k( 166) = ( 0.0000000 0.0000000 0.0529947), wk = 0.0028736 k( 167) = ( 0.0000000 0.0000000 0.0264973), wk = 0.0028736 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 170) = ( -0.0250000 0.0061975 0.0000000), wk = 0.0028736 k( 171) = ( -0.0500000 0.0123950 0.0000000), wk = 0.0028736 k( 172) = ( -0.0750000 0.0185924 0.0000000), wk = 0.0028736 k( 173) = ( -0.1000000 0.0247899 0.0000000), wk = 0.0028736 k( 174) = ( -0.1250000 0.0309874 0.0000000), wk = 0.0028736 k( 175) = ( -0.1500000 0.0371849 0.0000000), wk = 0.0028736 k( 176) = ( -0.1750000 0.0433824 0.0000000), wk = 0.0028736 k( 177) = ( -0.2000000 0.0495798 0.0000000), wk = 0.0028736 k( 178) = ( -0.2250000 0.0557773 0.0000000), wk = 0.0028736 k( 179) = ( -0.2500000 0.0619748 0.0000000), wk = 0.0028736 k( 180) = ( -0.2750000 0.0681723 0.0000000), wk = 0.0028736 k( 181) = ( -0.3000000 0.0743697 0.0000000), wk = 0.0028736 k( 182) = ( -0.3250000 0.0805672 0.0000000), wk = 0.0028736 k( 183) = ( -0.3500000 0.0867647 0.0000000), wk = 0.0028736 k( 184) = ( -0.3750000 0.0929622 0.0000000), wk = 0.0028736 k( 185) = ( -0.4000000 0.0991597 0.0000000), wk = 0.0028736 k( 186) = ( -0.4250000 0.1053571 0.0000000), wk = 0.0028736 k( 187) = ( -0.4500000 0.1115546 0.0000000), wk = 0.0028736 k( 188) = ( -0.4750000 0.1177521 0.0000000), wk = 0.0028736 k( 189) = ( -0.5000000 0.1239496 0.0000000), wk = 0.0028736 k( 190) = ( -0.5000000 0.1239496 0.0000000), wk = 0.0028736 k( 191) = ( -0.4936585 0.1495307 -0.0000000), wk = 0.0028736 k( 192) = ( -0.4873170 0.1751117 -0.0000000), wk = 0.0028736 k( 193) = ( -0.4809754 0.2006928 -0.0000000), wk = 0.0028736 k( 194) = ( -0.4746339 0.2262739 -0.0000000), wk = 0.0028736 k( 195) = ( -0.4682924 0.2518550 -0.0000000), wk = 0.0028736 k( 196) = ( -0.4619508 0.2774360 -0.0000000), wk = 0.0028736 k( 197) = ( -0.4556093 0.3030171 -0.0000000), wk = 0.0028736 k( 198) = ( -0.4492678 0.3285982 -0.0000000), wk = 0.0028736 k( 199) = ( -0.4429263 0.3541792 -0.0000000), wk = 0.0028736 k( 200) = ( -0.4365847 0.3797603 -0.0000000), wk = 0.0028736 k( 201) = ( -0.4302432 0.4053414 -0.0000000), wk = 0.0028736 k( 202) = ( -0.4239017 0.4309225 -0.0000000), wk = 0.0028736 k( 203) = ( -0.4175602 0.4565036 -0.0000000), wk = 0.0028736 k( 204) = ( -0.4112186 0.4820846 -0.0000000), wk = 0.0028736 k( 205) = ( -0.4048771 0.5076657 -0.0000000), wk = 0.0028736 k( 206) = ( -0.3985356 0.5332468 -0.0000000), wk = 0.0028736 k( 207) = ( -0.3921940 0.5588279 -0.0000000), wk = 0.0028736 k( 208) = ( -0.3858525 0.5844089 -0.0000000), wk = 0.0028736 k( 209) = ( -0.3795110 0.6099900 -0.0000000), wk = 0.0028736 k( 210) = ( -0.3731695 0.6355711 -0.0000000), wk = 0.0028736 k( 211) = ( -0.3668279 0.6611522 -0.0000000), wk = 0.0028736 k( 212) = ( -0.3604864 0.6867333 -0.0000000), wk = 0.0028736 k( 213) = ( -0.3541449 0.7123143 -0.0000000), wk = 0.0028736 k( 214) = ( -0.3478034 0.7378954 -0.0000000), wk = 0.0028736 k( 215) = ( -0.3414618 0.7634765 -0.0000000), wk = 0.0028736 k( 216) = ( -0.3351203 0.7890575 -0.0000000), wk = 0.0028736 k( 217) = ( -0.3287788 0.8146386 -0.0000000), wk = 0.0028736 k( 218) = ( -0.3224372 0.8402197 -0.0000000), wk = 0.0028736 k( 219) = ( -0.3160957 0.8658008 -0.0000000), wk = 0.0028736 k( 220) = ( -0.3097542 0.8913818 -0.0000000), wk = 0.0028736 k( 221) = ( -0.3034127 0.9169629 -0.0000000), wk = 0.0028736 k( 222) = ( -0.2970711 0.9425440 -0.0000000), wk = 0.0028736 k( 223) = ( -0.2907296 0.9681251 -0.0000000), wk = 0.0028736 k( 224) = ( -0.2843881 0.9937061 -0.0000000), wk = 0.0028736 k( 225) = ( -0.2780466 1.0192872 -0.0000000), wk = 0.0028736 k( 226) = ( -0.2717050 1.0448683 -0.0000000), wk = 0.0028736 k( 227) = ( -0.2653635 1.0704494 -0.0000000), wk = 0.0028736 k( 228) = ( -0.2653635 1.0704494 -0.0000000), wk = 0.0028736 k( 229) = ( -0.2653635 1.0704494 0.0264973), wk = 0.0028736 k( 230) = ( -0.2653635 1.0704494 0.0529947), wk = 0.0028736 k( 231) = ( -0.2653635 1.0704494 0.0794920), wk = 0.0028736 k( 232) = ( -0.2653635 1.0704494 0.1059893), wk = 0.0028736 k( 233) = ( -0.2653635 1.0704494 0.1324866), wk = 0.0028736 k( 234) = ( -0.2653635 1.0704494 0.1589840), wk = 0.0028736 k( 235) = ( -0.2653635 1.0704494 0.1854813), wk = 0.0028736 k( 236) = ( -0.2653635 1.0704494 0.2119786), wk = 0.0028736 k( 237) = ( -0.2653635 1.0704494 0.2384760), wk = 0.0028736 k( 238) = ( -0.2653635 1.0704494 0.2649733), wk = 0.0028736 k( 239) = ( -0.2653635 1.0704494 0.2914706), wk = 0.0028736 k( 240) = ( -0.2653635 1.0704494 0.3179680), wk = 0.0028736 k( 241) = ( -0.2653635 1.0704494 0.3444653), wk = 0.0028736 k( 242) = ( -0.2653635 1.0704494 0.3709626), wk = 0.0028736 k( 243) = ( -0.2653635 1.0704494 0.3974600), wk = 0.0028736 k( 244) = ( -0.2653635 1.0704494 0.4239573), wk = 0.0028736 k( 245) = ( -0.2653635 1.0704494 0.4504546), wk = 0.0028736 k( 246) = ( -0.2653635 1.0704494 0.4769520), wk = 0.0028736 k( 247) = ( -0.2653635 1.0704494 0.5034493), wk = 0.0028736 k( 248) = ( -0.2653635 1.0704494 0.5299466), wk = 0.0028736 k( 249) = ( -0.2653635 1.0704494 0.5564440), wk = 0.0028736 k( 250) = ( -0.2653635 1.0704494 0.5829413), wk = 0.0028736 k( 251) = ( -0.2653635 1.0704494 0.6094386), wk = 0.0028736 k( 252) = ( -0.2653635 1.0704494 0.6359359), wk = 0.0028736 k( 253) = ( -0.2653635 1.0704494 0.6624333), wk = 0.0028736 k( 254) = ( -0.2653635 1.0704494 0.6889306), wk = 0.0028736 k( 255) = ( -0.2653635 1.0704494 0.7154279), wk = 0.0028736 k( 256) = ( -0.2653635 1.0704494 0.7419253), wk = 0.0028736 k( 257) = ( -0.2653635 1.0704494 0.7684226), wk = 0.0028736 k( 258) = ( -0.2653635 1.0704494 0.7949199), wk = 0.0028736 k( 259) = ( -0.2653635 1.0704494 0.7949199), wk = 0.0028736 k( 260) = ( -0.2717050 1.0448683 0.7949199), wk = 0.0028736 k( 261) = ( -0.2780466 1.0192872 0.7949199), wk = 0.0028736 k( 262) = ( -0.2843881 0.9937061 0.7949199), wk = 0.0028736 k( 263) = ( -0.2907296 0.9681251 0.7949199), wk = 0.0028736 k( 264) = ( -0.2970711 0.9425440 0.7949199), wk = 0.0028736 k( 265) = ( -0.3034127 0.9169629 0.7949199), wk = 0.0028736 k( 266) = ( -0.3097542 0.8913818 0.7949199), wk = 0.0028736 k( 267) = ( -0.3160957 0.8658008 0.7949199), wk = 0.0028736 k( 268) = ( -0.3224372 0.8402197 0.7949199), wk = 0.0028736 k( 269) = ( -0.3287788 0.8146386 0.7949199), wk = 0.0028736 k( 270) = ( -0.3351203 0.7890575 0.7949199), wk = 0.0028736 k( 271) = ( -0.3414618 0.7634765 0.7949199), wk = 0.0028736 k( 272) = ( -0.3478034 0.7378954 0.7949199), wk = 0.0028736 k( 273) = ( -0.3541449 0.7123143 0.7949199), wk = 0.0028736 k( 274) = ( -0.3604864 0.6867333 0.7949199), wk = 0.0028736 k( 275) = ( -0.3668279 0.6611522 0.7949199), wk = 0.0028736 k( 276) = ( -0.3731695 0.6355711 0.7949199), wk = 0.0028736 k( 277) = ( -0.3795110 0.6099900 0.7949199), wk = 0.0028736 k( 278) = ( -0.3858525 0.5844089 0.7949199), wk = 0.0028736 k( 279) = ( -0.3921940 0.5588279 0.7949199), wk = 0.0028736 k( 280) = ( -0.3985356 0.5332468 0.7949199), wk = 0.0028736 k( 281) = ( -0.4048771 0.5076657 0.7949199), wk = 0.0028736 k( 282) = ( -0.4112186 0.4820846 0.7949199), wk = 0.0028736 k( 283) = ( -0.4175602 0.4565036 0.7949199), wk = 0.0028736 k( 284) = ( -0.4239017 0.4309225 0.7949199), wk = 0.0028736 k( 285) = ( -0.4302432 0.4053414 0.7949199), wk = 0.0028736 k( 286) = ( -0.4365847 0.3797603 0.7949199), wk = 0.0028736 k( 287) = ( -0.4429263 0.3541792 0.7949199), wk = 0.0028736 k( 288) = ( -0.4492678 0.3285982 0.7949199), wk = 0.0028736 k( 289) = ( -0.4556093 0.3030171 0.7949199), wk = 0.0028736 k( 290) = ( -0.4619508 0.2774360 0.7949199), wk = 0.0028736 k( 291) = ( -0.4682924 0.2518550 0.7949199), wk = 0.0028736 k( 292) = ( -0.4746339 0.2262739 0.7949199), wk = 0.0028736 k( 293) = ( -0.4809754 0.2006928 0.7949199), wk = 0.0028736 k( 294) = ( -0.4873170 0.1751117 0.7949199), wk = 0.0028736 k( 295) = ( -0.4936585 0.1495307 0.7949199), wk = 0.0028736 k( 296) = ( -0.5000000 0.1239496 0.7949199), wk = 0.0028736 k( 297) = ( -0.5000000 0.1239496 0.7949199), wk = 0.0028736 k( 298) = ( -0.5000000 0.1239496 0.7684226), wk = 0.0028736 k( 299) = ( -0.5000000 0.1239496 0.7419253), wk = 0.0028736 k( 300) = ( -0.5000000 0.1239496 0.7154279), wk = 0.0028736 k( 301) = ( -0.5000000 0.1239496 0.6889306), wk = 0.0028736 k( 302) = ( -0.5000000 0.1239496 0.6624333), wk = 0.0028736 k( 303) = ( -0.5000000 0.1239496 0.6359359), wk = 0.0028736 k( 304) = ( -0.5000000 0.1239496 0.6094386), wk = 0.0028736 k( 305) = ( -0.5000000 0.1239496 0.5829413), wk = 0.0028736 k( 306) = ( -0.5000000 0.1239496 0.5564440), wk = 0.0028736 k( 307) = ( -0.5000000 0.1239496 0.5299466), wk = 0.0028736 k( 308) = ( -0.5000000 0.1239496 0.5034493), wk = 0.0028736 k( 309) = ( -0.5000000 0.1239496 0.4769520), wk = 0.0028736 k( 310) = ( -0.5000000 0.1239496 0.4504546), wk = 0.0028736 k( 311) = ( -0.5000000 0.1239496 0.4239573), wk = 0.0028736 k( 312) = ( -0.5000000 0.1239496 0.3974600), wk = 0.0028736 k( 313) = ( -0.5000000 0.1239496 0.3709626), wk = 0.0028736 k( 314) = ( -0.5000000 0.1239496 0.3444653), wk = 0.0028736 k( 315) = ( -0.5000000 0.1239496 0.3179680), wk = 0.0028736 k( 316) = ( -0.5000000 0.1239496 0.2914706), wk = 0.0028736 k( 317) = ( -0.5000000 0.1239496 0.2649733), wk = 0.0028736 k( 318) = ( -0.5000000 0.1239496 0.2384760), wk = 0.0028736 k( 319) = ( -0.5000000 0.1239496 0.2119786), wk = 0.0028736 k( 320) = ( -0.5000000 0.1239496 0.1854813), wk = 0.0028736 k( 321) = ( -0.5000000 0.1239496 0.1589840), wk = 0.0028736 k( 322) = ( -0.5000000 0.1239496 0.1324866), wk = 0.0028736 k( 323) = ( -0.5000000 0.1239496 0.1059893), wk = 0.0028736 k( 324) = ( -0.5000000 0.1239496 0.0794920), wk = 0.0028736 k( 325) = ( -0.5000000 0.1239496 0.0529947), wk = 0.0028736 k( 326) = ( -0.5000000 0.1239496 0.0264973), wk = 0.0028736 k( 327) = ( -0.5000000 0.1239496 0.0000000), wk = 0.0028736 k( 328) = ( 0.0000000 0.0000000 0.7949199), wk = 0.0028736 k( 329) = ( -0.0250000 0.0061975 0.7949199), wk = 0.0028736 k( 330) = ( -0.0500000 0.0123950 0.7949199), wk = 0.0028736 k( 331) = ( -0.0750000 0.0185924 0.7949199), wk = 0.0028736 k( 332) = ( -0.1000000 0.0247899 0.7949199), wk = 0.0028736 k( 333) = ( -0.1250000 0.0309874 0.7949199), wk = 0.0028736 k( 334) = ( -0.1500000 0.0371849 0.7949199), wk = 0.0028736 k( 335) = ( -0.1750000 0.0433824 0.7949199), wk = 0.0028736 k( 336) = ( -0.2000000 0.0495798 0.7949199), wk = 0.0028736 k( 337) = ( -0.2250000 0.0557773 0.7949199), wk = 0.0028736 k( 338) = ( -0.2500000 0.0619748 0.7949199), wk = 0.0028736 k( 339) = ( -0.2750000 0.0681723 0.7949199), wk = 0.0028736 k( 340) = ( -0.3000000 0.0743697 0.7949199), wk = 0.0028736 k( 341) = ( -0.3250000 0.0805672 0.7949199), wk = 0.0028736 k( 342) = ( -0.3500000 0.0867647 0.7949199), wk = 0.0028736 k( 343) = ( -0.3750000 0.0929622 0.7949199), wk = 0.0028736 k( 344) = ( -0.4000000 0.0991597 0.7949199), wk = 0.0028736 k( 345) = ( -0.4250000 0.1053571 0.7949199), wk = 0.0028736 k( 346) = ( -0.4500000 0.1115546 0.7949199), wk = 0.0028736 k( 347) = ( -0.4750000 0.1177521 0.7949199), wk = 0.0028736 k( 348) = ( -0.5000000 0.1239496 0.7949199), wk = 0.0028736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0064723 0.0064723 0.0000000), wk = 0.0028736 k( 3) = ( 0.0129446 0.0129446 0.0000000), wk = 0.0028736 k( 4) = ( 0.0194168 0.0194168 -0.0000000), wk = 0.0028736 k( 5) = ( 0.0258891 0.0258891 0.0000000), wk = 0.0028736 k( 6) = ( 0.0323614 0.0323614 0.0000000), wk = 0.0028736 k( 7) = ( 0.0388337 0.0388337 -0.0000000), wk = 0.0028736 k( 8) = ( 0.0453060 0.0453060 -0.0000000), wk = 0.0028736 k( 9) = ( 0.0517782 0.0517782 0.0000000), wk = 0.0028736 k( 10) = ( 0.0582505 0.0582505 0.0000000), wk = 0.0028736 k( 11) = ( 0.0647228 0.0647228 0.0000000), wk = 0.0028736 k( 12) = ( 0.0711951 0.0711951 -0.0000000), wk = 0.0028736 k( 13) = ( 0.0776674 0.0776674 -0.0000000), wk = 0.0028736 k( 14) = ( 0.0841396 0.0841396 -0.0000000), wk = 0.0028736 k( 15) = ( 0.0906119 0.0906119 0.0000000), wk = 0.0028736 k( 16) = ( 0.0970842 0.0970842 -0.0000000), wk = 0.0028736 k( 17) = ( 0.1035565 0.1035565 0.0000000), wk = 0.0028736 k( 18) = ( 0.1100288 0.1100288 -0.0000000), wk = 0.0028736 k( 19) = ( 0.1165010 0.1165010 0.0000000), wk = 0.0028736 k( 20) = ( 0.1229733 0.1229733 0.0000000), wk = 0.0028736 k( 21) = ( 0.1294456 0.1294456 -0.0000000), wk = 0.0028736 k( 22) = ( 0.1359179 0.1359179 -0.0000000), wk = 0.0028736 k( 23) = ( 0.1423902 0.1423902 0.0000000), wk = 0.0028736 k( 24) = ( 0.1488625 0.1488624 0.0000000), wk = 0.0028736 k( 25) = ( 0.1553347 0.1553347 -0.0000000), wk = 0.0028736 k( 26) = ( 0.1618070 0.1618070 0.0000000), wk = 0.0028736 k( 27) = ( 0.1682793 0.1682793 0.0000000), wk = 0.0028736 k( 28) = ( 0.1747516 0.1747516 -0.0000000), wk = 0.0028736 k( 29) = ( 0.1812238 0.1812238 -0.0000000), wk = 0.0028736 k( 30) = ( 0.1876961 0.1876961 -0.0000000), wk = 0.0028736 k( 31) = ( 0.1941684 0.1941684 0.0000000), wk = 0.0028736 k( 32) = ( 0.2006407 0.2006407 0.0000000), wk = 0.0028736 k( 33) = ( 0.2071130 0.2071130 -0.0000000), wk = 0.0028736 k( 34) = ( 0.2135853 0.2135852 0.0000000), wk = 0.0028736 k( 35) = ( 0.2200575 0.2200575 -0.0000000), wk = 0.0028736 k( 36) = ( 0.2265298 0.2265298 -0.0000000), wk = 0.0028736 k( 37) = ( 0.2330021 0.2330021 0.0000000), wk = 0.0028736 k( 38) = ( 0.2394744 0.2394744 -0.0000000), wk = 0.0028736 k( 39) = ( 0.2459467 0.2459467 0.0000000), wk = 0.0028736 k( 40) = ( 0.2524189 0.2524189 0.0000000), wk = 0.0028736 k( 41) = ( 0.2588912 0.2588912 -0.0000000), wk = 0.0028736 k( 42) = ( 0.2653635 0.2653635 -0.0000000), wk = 0.0028736 k( 43) = ( 0.2653635 0.2653635 -0.0000000), wk = 0.0028736 k( 44) = ( 0.2388271 0.2888271 0.0000000), wk = 0.0028736 k( 45) = ( 0.2122908 0.3122908 -0.0000000), wk = 0.0028736 k( 46) = ( 0.1857544 0.3357544 -0.0000000), wk = 0.0028736 k( 47) = ( 0.1592181 0.3592181 -0.0000000), wk = 0.0028736 k( 48) = ( 0.1326817 0.3826817 -0.0000000), wk = 0.0028736 k( 49) = ( 0.1061454 0.4061454 -0.0000000), wk = 0.0028736 k( 50) = ( 0.0796091 0.4296090 -0.0000000), wk = 0.0028736 k( 51) = ( 0.0530727 0.4530727 -0.0000000), wk = 0.0028736 k( 52) = ( 0.0265364 0.4765363 -0.0000000), wk = 0.0028736 k( 53) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028736 k( 54) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028736 k( 55) = ( 0.0000000 0.5000000 0.0166667), wk = 0.0028736 k( 56) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0028736 k( 57) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0028736 k( 58) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0028736 k( 59) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0028736 k( 60) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0028736 k( 61) = ( 0.0000000 0.5000000 0.1166667), wk = 0.0028736 k( 62) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0028736 k( 63) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0028736 k( 64) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0028736 k( 65) = ( 0.0000000 0.5000000 0.1833333), wk = 0.0028736 k( 66) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0028736 k( 67) = ( 0.0000000 0.5000000 0.2166667), wk = 0.0028736 k( 68) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0028736 k( 69) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0028736 k( 70) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0028736 k( 71) = ( 0.0000000 0.5000000 0.2833333), wk = 0.0028736 k( 72) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0028736 k( 73) = ( 0.0000000 0.5000000 0.3166667), wk = 0.0028736 k( 74) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0028736 k( 75) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0028736 k( 76) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0028736 k( 77) = ( 0.0000000 0.5000000 0.3833333), wk = 0.0028736 k( 78) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0028736 k( 79) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0028736 k( 80) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0028736 k( 81) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0028736 k( 82) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0028736 k( 83) = ( 0.0000000 0.5000000 0.4833333), wk = 0.0028736 k( 84) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 85) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 86) = ( 0.0265364 0.4765363 0.5000000), wk = 0.0028736 k( 87) = ( 0.0530727 0.4530727 0.5000000), wk = 0.0028736 k( 88) = ( 0.0796091 0.4296090 0.5000000), wk = 0.0028736 k( 89) = ( 0.1061454 0.4061454 0.5000000), wk = 0.0028736 k( 90) = ( 0.1326817 0.3826817 0.5000000), wk = 0.0028736 k( 91) = ( 0.1592181 0.3592181 0.5000000), wk = 0.0028736 k( 92) = ( 0.1857544 0.3357544 0.5000000), wk = 0.0028736 k( 93) = ( 0.2122908 0.3122908 0.5000000), wk = 0.0028736 k( 94) = ( 0.2388271 0.2888271 0.5000000), wk = 0.0028736 k( 95) = ( 0.2653635 0.2653635 0.5000000), wk = 0.0028736 k( 96) = ( 0.2653635 0.2653635 0.5000000), wk = 0.0028736 k( 97) = ( 0.2588912 0.2588912 0.5000000), wk = 0.0028736 k( 98) = ( 0.2524189 0.2524189 0.5000000), wk = 0.0028736 k( 99) = ( 0.2459467 0.2459467 0.5000000), wk = 0.0028736 k( 100) = ( 0.2394744 0.2394744 0.5000000), wk = 0.0028736 k( 101) = ( 0.2330021 0.2330021 0.5000000), wk = 0.0028736 k( 102) = ( 0.2265298 0.2265298 0.5000000), wk = 0.0028736 k( 103) = ( 0.2200575 0.2200575 0.5000000), wk = 0.0028736 k( 104) = ( 0.2135853 0.2135852 0.5000000), wk = 0.0028736 k( 105) = ( 0.2071130 0.2071130 0.5000000), wk = 0.0028736 k( 106) = ( 0.2006407 0.2006407 0.5000000), wk = 0.0028736 k( 107) = ( 0.1941684 0.1941684 0.5000000), wk = 0.0028736 k( 108) = ( 0.1876961 0.1876961 0.5000000), wk = 0.0028736 k( 109) = ( 0.1812238 0.1812238 0.5000000), wk = 0.0028736 k( 110) = ( 0.1747516 0.1747516 0.5000000), wk = 0.0028736 k( 111) = ( 0.1682793 0.1682793 0.5000000), wk = 0.0028736 k( 112) = ( 0.1618070 0.1618070 0.5000000), wk = 0.0028736 k( 113) = ( 0.1553347 0.1553347 0.5000000), wk = 0.0028736 k( 114) = ( 0.1488625 0.1488624 0.5000000), wk = 0.0028736 k( 115) = ( 0.1423902 0.1423902 0.5000000), wk = 0.0028736 k( 116) = ( 0.1359179 0.1359179 0.5000000), wk = 0.0028736 k( 117) = ( 0.1294456 0.1294456 0.5000000), wk = 0.0028736 k( 118) = ( 0.1229733 0.1229733 0.5000000), wk = 0.0028736 k( 119) = ( 0.1165010 0.1165010 0.5000000), wk = 0.0028736 k( 120) = ( 0.1100288 0.1100288 0.5000000), wk = 0.0028736 k( 121) = ( 0.1035565 0.1035565 0.5000000), wk = 0.0028736 k( 122) = ( 0.0970842 0.0970842 0.5000000), wk = 0.0028736 k( 123) = ( 0.0906119 0.0906119 0.5000000), wk = 0.0028736 k( 124) = ( 0.0841396 0.0841396 0.5000000), wk = 0.0028736 k( 125) = ( 0.0776674 0.0776674 0.5000000), wk = 0.0028736 k( 126) = ( 0.0711951 0.0711951 0.5000000), wk = 0.0028736 k( 127) = ( 0.0647228 0.0647228 0.5000000), wk = 0.0028736 k( 128) = ( 0.0582505 0.0582505 0.5000000), wk = 0.0028736 k( 129) = ( 0.0517782 0.0517782 0.5000000), wk = 0.0028736 k( 130) = ( 0.0453060 0.0453060 0.5000000), wk = 0.0028736 k( 131) = ( 0.0388337 0.0388337 0.5000000), wk = 0.0028736 k( 132) = ( 0.0323614 0.0323614 0.5000000), wk = 0.0028736 k( 133) = ( 0.0258891 0.0258891 0.5000000), wk = 0.0028736 k( 134) = ( 0.0194168 0.0194168 0.5000000), wk = 0.0028736 k( 135) = ( 0.0129446 0.0129446 0.5000000), wk = 0.0028736 k( 136) = ( 0.0064723 0.0064723 0.5000000), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0028736 k( 153) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028736 k( 154) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0028736 k( 155) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0028736 k( 156) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028736 k( 157) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0028736 k( 158) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028736 k( 159) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0028736 k( 160) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0028736 k( 161) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0028736 k( 162) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028736 k( 163) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0028736 k( 164) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0028736 k( 165) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0028736 k( 166) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0028736 k( 167) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0028736 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 170) = ( -0.0250000 0.0250000 -0.0000000), wk = 0.0028736 k( 171) = ( -0.0500000 0.0500000 -0.0000000), wk = 0.0028736 k( 172) = ( -0.0750000 0.0750000 0.0000000), wk = 0.0028736 k( 173) = ( -0.1000000 0.1000000 -0.0000000), wk = 0.0028736 k( 174) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0028736 k( 175) = ( -0.1500000 0.1500000 0.0000000), wk = 0.0028736 k( 176) = ( -0.1750000 0.1750000 -0.0000000), wk = 0.0028736 k( 177) = ( -0.2000000 0.2000000 -0.0000000), wk = 0.0028736 k( 178) = ( -0.2250000 0.2250000 0.0000000), wk = 0.0028736 k( 179) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0028736 k( 180) = ( -0.2750000 0.2750000 0.0000000), wk = 0.0028736 k( 181) = ( -0.3000000 0.3000000 0.0000000), wk = 0.0028736 k( 182) = ( -0.3250000 0.3250000 0.0000000), wk = 0.0028736 k( 183) = ( -0.3500000 0.3500000 -0.0000000), wk = 0.0028736 k( 184) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0028736 k( 185) = ( -0.4000000 0.4000000 -0.0000000), wk = 0.0028736 k( 186) = ( -0.4250000 0.4250000 0.0000000), wk = 0.0028736 k( 187) = ( -0.4500000 0.4500000 0.0000000), wk = 0.0028736 k( 188) = ( -0.4750000 0.4750000 0.0000000), wk = 0.0028736 k( 189) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028736 k( 190) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028736 k( 191) = ( -0.4936585 0.5063415 0.0000000), wk = 0.0028736 k( 192) = ( -0.4873170 0.5126831 0.0000000), wk = 0.0028736 k( 193) = ( -0.4809754 0.5190246 -0.0000000), wk = 0.0028736 k( 194) = ( -0.4746339 0.5253661 -0.0000000), wk = 0.0028736 k( 195) = ( -0.4682924 0.5317076 0.0000000), wk = 0.0028736 k( 196) = ( -0.4619508 0.5380492 0.0000000), wk = 0.0028736 k( 197) = ( -0.4556093 0.5443907 0.0000000), wk = 0.0028736 k( 198) = ( -0.4492678 0.5507322 0.0000000), wk = 0.0028736 k( 199) = ( -0.4429263 0.5570737 0.0000000), wk = 0.0028736 k( 200) = ( -0.4365847 0.5634153 -0.0000000), wk = 0.0028736 k( 201) = ( -0.4302432 0.5697568 -0.0000000), wk = 0.0028736 k( 202) = ( -0.4239017 0.5760983 -0.0000000), wk = 0.0028736 k( 203) = ( -0.4175602 0.5824398 -0.0000000), wk = 0.0028736 k( 204) = ( -0.4112186 0.5887814 -0.0000000), wk = 0.0028736 k( 205) = ( -0.4048771 0.5951229 -0.0000000), wk = 0.0028736 k( 206) = ( -0.3985356 0.6014644 -0.0000000), wk = 0.0028736 k( 207) = ( -0.3921940 0.6078060 0.0000000), wk = 0.0028736 k( 208) = ( -0.3858525 0.6141475 0.0000000), wk = 0.0028736 k( 209) = ( -0.3795110 0.6204890 -0.0000000), wk = 0.0028736 k( 210) = ( -0.3731695 0.6268305 0.0000000), wk = 0.0028736 k( 211) = ( -0.3668279 0.6331721 0.0000000), wk = 0.0028736 k( 212) = ( -0.3604864 0.6395136 -0.0000000), wk = 0.0028736 k( 213) = ( -0.3541449 0.6458551 -0.0000000), wk = 0.0028736 k( 214) = ( -0.3478034 0.6521967 -0.0000000), wk = 0.0028736 k( 215) = ( -0.3414618 0.6585382 0.0000000), wk = 0.0028736 k( 216) = ( -0.3351203 0.6648797 -0.0000000), wk = 0.0028736 k( 217) = ( -0.3287788 0.6712212 0.0000000), wk = 0.0028736 k( 218) = ( -0.3224372 0.6775628 -0.0000000), wk = 0.0028736 k( 219) = ( -0.3160957 0.6839043 -0.0000000), wk = 0.0028736 k( 220) = ( -0.3097542 0.6902458 -0.0000000), wk = 0.0028736 k( 221) = ( -0.3034127 0.6965873 0.0000000), wk = 0.0028736 k( 222) = ( -0.2970711 0.7029289 0.0000000), wk = 0.0028736 k( 223) = ( -0.2907296 0.7092704 0.0000000), wk = 0.0028736 k( 224) = ( -0.2843881 0.7156119 -0.0000000), wk = 0.0028736 k( 225) = ( -0.2780466 0.7219534 -0.0000000), wk = 0.0028736 k( 226) = ( -0.2717050 0.7282950 0.0000000), wk = 0.0028736 k( 227) = ( -0.2653635 0.7346365 -0.0000000), wk = 0.0028736 k( 228) = ( -0.2653635 0.7346365 -0.0000000), wk = 0.0028736 k( 229) = ( -0.2653635 0.7346365 0.0166667), wk = 0.0028736 k( 230) = ( -0.2653635 0.7346365 0.0333333), wk = 0.0028736 k( 231) = ( -0.2653635 0.7346365 0.0500000), wk = 0.0028736 k( 232) = ( -0.2653635 0.7346365 0.0666667), wk = 0.0028736 k( 233) = ( -0.2653635 0.7346365 0.0833333), wk = 0.0028736 k( 234) = ( -0.2653635 0.7346365 0.1000000), wk = 0.0028736 k( 235) = ( -0.2653635 0.7346365 0.1166667), wk = 0.0028736 k( 236) = ( -0.2653635 0.7346365 0.1333333), wk = 0.0028736 k( 237) = ( -0.2653635 0.7346365 0.1500000), wk = 0.0028736 k( 238) = ( -0.2653635 0.7346365 0.1666667), wk = 0.0028736 k( 239) = ( -0.2653635 0.7346365 0.1833333), wk = 0.0028736 k( 240) = ( -0.2653635 0.7346365 0.2000000), wk = 0.0028736 k( 241) = ( -0.2653635 0.7346365 0.2166667), wk = 0.0028736 k( 242) = ( -0.2653635 0.7346365 0.2333333), wk = 0.0028736 k( 243) = ( -0.2653635 0.7346365 0.2500000), wk = 0.0028736 k( 244) = ( -0.2653635 0.7346365 0.2666667), wk = 0.0028736 k( 245) = ( -0.2653635 0.7346365 0.2833333), wk = 0.0028736 k( 246) = ( -0.2653635 0.7346365 0.3000000), wk = 0.0028736 k( 247) = ( -0.2653635 0.7346365 0.3166667), wk = 0.0028736 k( 248) = ( -0.2653635 0.7346365 0.3333333), wk = 0.0028736 k( 249) = ( -0.2653635 0.7346365 0.3500000), wk = 0.0028736 k( 250) = ( -0.2653635 0.7346365 0.3666667), wk = 0.0028736 k( 251) = ( -0.2653635 0.7346365 0.3833333), wk = 0.0028736 k( 252) = ( -0.2653635 0.7346365 0.4000000), wk = 0.0028736 k( 253) = ( -0.2653635 0.7346365 0.4166667), wk = 0.0028736 k( 254) = ( -0.2653635 0.7346365 0.4333333), wk = 0.0028736 k( 255) = ( -0.2653635 0.7346365 0.4500000), wk = 0.0028736 k( 256) = ( -0.2653635 0.7346365 0.4666667), wk = 0.0028736 k( 257) = ( -0.2653635 0.7346365 0.4833333), wk = 0.0028736 k( 258) = ( -0.2653635 0.7346365 0.5000000), wk = 0.0028736 k( 259) = ( -0.2653635 0.7346365 0.5000000), wk = 0.0028736 k( 260) = ( -0.2717050 0.7282950 0.5000000), wk = 0.0028736 k( 261) = ( -0.2780466 0.7219534 0.5000000), wk = 0.0028736 k( 262) = ( -0.2843881 0.7156119 0.5000000), wk = 0.0028736 k( 263) = ( -0.2907296 0.7092704 0.5000000), wk = 0.0028736 k( 264) = ( -0.2970711 0.7029289 0.5000000), wk = 0.0028736 k( 265) = ( -0.3034127 0.6965873 0.5000000), wk = 0.0028736 k( 266) = ( -0.3097542 0.6902458 0.5000000), wk = 0.0028736 k( 267) = ( -0.3160957 0.6839043 0.5000000), wk = 0.0028736 k( 268) = ( -0.3224372 0.6775628 0.5000000), wk = 0.0028736 k( 269) = ( -0.3287788 0.6712212 0.5000000), wk = 0.0028736 k( 270) = ( -0.3351203 0.6648797 0.5000000), wk = 0.0028736 k( 271) = ( -0.3414618 0.6585382 0.5000000), wk = 0.0028736 k( 272) = ( -0.3478034 0.6521967 0.5000000), wk = 0.0028736 k( 273) = ( -0.3541449 0.6458551 0.5000000), wk = 0.0028736 k( 274) = ( -0.3604864 0.6395136 0.5000000), wk = 0.0028736 k( 275) = ( -0.3668279 0.6331721 0.5000000), wk = 0.0028736 k( 276) = ( -0.3731695 0.6268305 0.5000000), wk = 0.0028736 k( 277) = ( -0.3795110 0.6204890 0.5000000), wk = 0.0028736 k( 278) = ( -0.3858525 0.6141475 0.5000000), wk = 0.0028736 k( 279) = ( -0.3921940 0.6078060 0.5000000), wk = 0.0028736 k( 280) = ( -0.3985356 0.6014644 0.5000000), wk = 0.0028736 k( 281) = ( -0.4048771 0.5951229 0.5000000), wk = 0.0028736 k( 282) = ( -0.4112186 0.5887814 0.5000000), wk = 0.0028736 k( 283) = ( -0.4175602 0.5824398 0.5000000), wk = 0.0028736 k( 284) = ( -0.4239017 0.5760983 0.5000000), wk = 0.0028736 k( 285) = ( -0.4302432 0.5697568 0.5000000), wk = 0.0028736 k( 286) = ( -0.4365847 0.5634153 0.5000000), wk = 0.0028736 k( 287) = ( -0.4429263 0.5570737 0.5000000), wk = 0.0028736 k( 288) = ( -0.4492678 0.5507322 0.5000000), wk = 0.0028736 k( 289) = ( -0.4556093 0.5443907 0.5000000), wk = 0.0028736 k( 290) = ( -0.4619508 0.5380492 0.5000000), wk = 0.0028736 k( 291) = ( -0.4682924 0.5317076 0.5000000), wk = 0.0028736 k( 292) = ( -0.4746339 0.5253661 0.5000000), wk = 0.0028736 k( 293) = ( -0.4809754 0.5190246 0.5000000), wk = 0.0028736 k( 294) = ( -0.4873170 0.5126831 0.5000000), wk = 0.0028736 k( 295) = ( -0.4936585 0.5063415 0.5000000), wk = 0.0028736 k( 296) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 297) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 298) = ( -0.5000000 0.5000000 0.4833333), wk = 0.0028736 k( 299) = ( -0.5000000 0.5000000 0.4666667), wk = 0.0028736 k( 300) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0028736 k( 301) = ( -0.5000000 0.5000000 0.4333333), wk = 0.0028736 k( 302) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0028736 k( 303) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0028736 k( 304) = ( -0.5000000 0.5000000 0.3833333), wk = 0.0028736 k( 305) = ( -0.5000000 0.5000000 0.3666667), wk = 0.0028736 k( 306) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0028736 k( 307) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0028736 k( 308) = ( -0.5000000 0.5000000 0.3166667), wk = 0.0028736 k( 309) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0028736 k( 310) = ( -0.5000000 0.5000000 0.2833333), wk = 0.0028736 k( 311) = ( -0.5000000 0.5000000 0.2666667), wk = 0.0028736 k( 312) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0028736 k( 313) = ( -0.5000000 0.5000000 0.2333333), wk = 0.0028736 k( 314) = ( -0.5000000 0.5000000 0.2166667), wk = 0.0028736 k( 315) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0028736 k( 316) = ( -0.5000000 0.5000000 0.1833333), wk = 0.0028736 k( 317) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0028736 k( 318) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0028736 k( 319) = ( -0.5000000 0.5000000 0.1333333), wk = 0.0028736 k( 320) = ( -0.5000000 0.5000000 0.1166667), wk = 0.0028736 k( 321) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0028736 k( 322) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0028736 k( 323) = ( -0.5000000 0.5000000 0.0666667), wk = 0.0028736 k( 324) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0028736 k( 325) = ( -0.5000000 0.5000000 0.0333333), wk = 0.0028736 k( 326) = ( -0.5000000 0.5000000 0.0166667), wk = 0.0028736 k( 327) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028736 k( 328) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 329) = ( -0.0250000 0.0250000 0.5000000), wk = 0.0028736 k( 330) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0028736 k( 331) = ( -0.0750000 0.0750000 0.5000000), wk = 0.0028736 k( 332) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0028736 k( 333) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0028736 k( 334) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0028736 k( 335) = ( -0.1750000 0.1750000 0.5000000), wk = 0.0028736 k( 336) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0028736 k( 337) = ( -0.2250000 0.2250000 0.5000000), wk = 0.0028736 k( 338) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0028736 k( 339) = ( -0.2750000 0.2750000 0.5000000), wk = 0.0028736 k( 340) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0028736 k( 341) = ( -0.3250000 0.3250000 0.5000000), wk = 0.0028736 k( 342) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0028736 k( 343) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0028736 k( 344) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0028736 k( 345) = ( -0.4250000 0.4250000 0.5000000), wk = 0.0028736 k( 346) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0028736 k( 347) = ( -0.4750000 0.4750000 0.5000000), wk = 0.0028736 k( 348) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028736 Dense grid: 177037 G-vectors FFT dimensions: ( 108, 108, 72) Smooth grid: 52241 G-vectors FFT dimensions: ( 72, 72, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 372, 68) NL pseudopotentials 0.54 Mb ( 186, 192) Each V/rho on FFT grid 0.36 Mb ( 23328) Each G-vector array 0.04 Mb ( 4920) G-vector shells 0.02 Mb ( 2516) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.54 Mb ( 372, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.40 Mb ( 192, 2, 68) The potential is recalculated from file : ./AuCClO.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.6 secs Computing kpt #: 2 total cpu time spent up to now is 7.9 secs Computing kpt #: 3 total cpu time spent up to now is 9.2 secs Computing kpt #: 4 total cpu time spent up to now is 10.5 secs Computing kpt #: 5 total cpu time spent up to now is 11.8 secs Computing kpt #: 6 total cpu time spent up to now is 13.1 secs Computing kpt #: 7 total cpu time spent up to now is 14.4 secs Computing kpt #: 8 total cpu time spent up to now is 15.7 secs Computing kpt #: 9 total cpu time spent up to now is 17.0 secs Computing kpt #: 10 total cpu time spent up to now is 18.3 secs Computing kpt #: 11 total cpu time spent up to now is 19.6 secs Computing kpt #: 12 total cpu time spent up to now is 21.1 secs Computing kpt #: 13 total cpu time spent up to now is 22.6 secs Computing kpt #: 14 total cpu time spent up to now is 24.2 secs Computing kpt #: 15 total cpu time spent up to now is 25.8 secs Computing kpt #: 16 total cpu time spent up to now is 27.2 secs Computing kpt #: 17 total cpu time spent up to now is 28.7 secs Computing kpt #: 18 total cpu time spent up to now is 30.2 secs Computing kpt #: 19 total cpu time spent up to now is 31.7 secs Computing kpt #: 20 total cpu time spent up to now is 33.1 secs Computing kpt #: 21 total cpu time spent up to now is 34.4 secs Computing kpt #: 22 total cpu time spent up to now is 35.9 secs Computing kpt #: 23 total cpu time spent up to now is 37.2 secs Computing kpt #: 24 total cpu time spent up to now is 38.5 secs Computing kpt #: 25 total cpu time spent up to now is 39.8 secs Computing kpt #: 26 total cpu time spent up to now is 41.2 secs Computing kpt #: 27 total cpu time spent up to now is 42.5 secs Computing kpt #: 28 total cpu time spent up to now is 43.8 secs Computing kpt #: 29 total cpu time spent up to now is 45.1 secs Computing kpt #: 30 total cpu time spent up to now is 46.4 secs Computing kpt #: 31 total cpu time spent up to now is 47.7 secs Computing kpt #: 32 total cpu time spent up to now is 48.9 secs Computing kpt #: 33 total cpu time spent up to now is 50.2 secs Computing kpt #: 34 total cpu time spent up to now is 51.5 secs Computing kpt #: 35 total cpu time spent up to now is 52.8 secs Computing kpt #: 36 total cpu time spent up to now is 54.0 secs Computing kpt #: 37 total cpu time spent up to now is 55.3 secs Computing kpt #: 38 total cpu time spent up to now is 56.6 secs Computing kpt #: 39 total cpu time spent up to now is 57.8 secs Computing kpt #: 40 total cpu time spent up to now is 59.1 secs Computing kpt #: 41 total cpu time spent up to now is 60.4 secs Computing kpt #: 42 total cpu time spent up to now is 61.6 secs Computing kpt #: 43 total cpu time spent up to now is 62.9 secs Computing kpt #: 44 total cpu time spent up to now is 64.2 secs Computing kpt #: 45 total cpu time spent up to now is 65.4 secs Computing kpt #: 46 total cpu time spent up to now is 66.7 secs Computing kpt #: 47 total cpu time spent up to now is 68.0 secs Computing kpt #: 48 total cpu time spent up to now is 69.2 secs Computing kpt #: 49 total cpu time spent up to now is 70.5 secs Computing kpt #: 50 total cpu time spent up to now is 71.8 secs Computing kpt #: 51 total cpu time spent up to now is 73.0 secs Computing kpt #: 52 total cpu time spent up to now is 74.3 secs Computing kpt #: 53 total cpu time spent up to now is 75.6 secs Computing kpt #: 54 total cpu time spent up to now is 76.8 secs Computing kpt #: 55 total cpu time spent up to now is 78.2 secs Computing kpt #: 56 total cpu time spent up to now is 79.5 secs Computing kpt #: 57 total cpu time spent up to now is 80.7 secs Computing kpt #: 58 total cpu time spent up to now is 82.0 secs Computing kpt #: 59 total cpu time spent up to now is 83.3 secs Computing kpt #: 60 total cpu time spent up to now is 84.6 secs Computing kpt #: 61 total cpu time spent up to now is 85.9 secs Computing kpt #: 62 total cpu time spent up to now is 87.1 secs Computing kpt #: 63 total cpu time spent up to now is 88.4 secs Computing kpt #: 64 total cpu time spent up to now is 89.7 secs Computing kpt #: 65 total cpu time spent up to now is 91.0 secs Computing kpt #: 66 total cpu time spent up to now is 92.4 secs Computing kpt #: 67 total cpu time spent up to now is 93.7 secs Computing kpt #: 68 total cpu time spent up to now is 95.0 secs Computing kpt #: 69 total cpu time spent up to now is 96.4 secs Computing kpt #: 70 total cpu time spent up to now is 97.7 secs Computing kpt #: 71 total cpu time spent up to now is 99.1 secs Computing kpt #: 72 total cpu time spent up to now is 100.4 secs Computing kpt #: 73 total cpu time spent up to now is 101.9 secs Computing kpt #: 74 total cpu time spent up to now is 103.5 secs Computing kpt #: 75 total cpu time spent up to now is 105.0 secs Computing kpt #: 76 total cpu time spent up to now is 106.5 secs Computing kpt #: 77 total cpu time spent up to now is 108.1 secs Computing kpt #: 78 total cpu time spent up to now is 109.6 secs Computing kpt #: 79 total cpu time spent up to now is 111.2 secs Computing kpt #: 80 total cpu time spent up to now is 112.7 secs Computing kpt #: 81 total cpu time spent up to now is 114.3 secs Computing kpt #: 82 total cpu time spent up to now is 115.6 secs Computing kpt #: 83 total cpu time spent up to now is 117.2 secs Computing kpt #: 84 total cpu time spent up to now is 118.8 secs Computing kpt #: 85 total cpu time spent up to now is 120.3 secs Computing kpt #: 86 total cpu time spent up to now is 121.7 secs Computing kpt #: 87 total cpu time spent up to now is 123.1 secs Computing kpt #: 88 total cpu time spent up to now is 124.5 secs Computing kpt #: 89 total cpu time spent up to now is 126.1 secs Computing kpt #: 90 total cpu time spent up to now is 127.5 secs Computing kpt #: 91 total cpu time spent up to now is 128.9 secs Computing kpt #: 92 total cpu time spent up to now is 130.2 secs Computing kpt #: 93 total cpu time spent up to now is 131.6 secs Computing kpt #: 94 total cpu time spent up to now is 133.0 secs Computing kpt #: 95 total cpu time spent up to now is 134.4 secs Computing kpt #: 96 total cpu time spent up to now is 135.8 secs Computing kpt #: 97 total cpu time spent up to now is 137.2 secs Computing kpt #: 98 total cpu time spent up to now is 138.6 secs Computing kpt #: 99 total cpu time spent up to now is 140.0 secs Computing kpt #: 100 total cpu time spent up to now is 141.4 secs Computing kpt #: 101 total cpu time spent up to now is 142.9 secs Computing kpt #: 102 total cpu time spent up to now is 144.3 secs Computing kpt #: 103 total cpu time spent up to now is 145.7 secs Computing kpt #: 104 total cpu time spent up to now is 147.0 secs Computing kpt #: 105 total cpu time spent up to now is 148.4 secs Computing kpt #: 106 total cpu time spent up to now is 149.8 secs Computing kpt #: 107 total cpu time spent up to now is 151.1 secs Computing kpt #: 108 total cpu time spent up to now is 152.5 secs Computing kpt #: 109 total cpu time spent up to now is 153.8 secs Computing kpt #: 110 total cpu time spent up to now is 155.1 secs Computing kpt #: 111 total cpu time spent up to now is 156.4 secs Computing kpt #: 112 total cpu time spent up to now is 157.7 secs Computing kpt #: 113 total cpu time spent up to now is 159.1 secs Computing kpt #: 114 total cpu time spent up to now is 160.4 secs Computing kpt #: 115 total cpu time spent up to now is 161.7 secs Computing kpt #: 116 total cpu time spent up to now is 162.9 secs Computing kpt #: 117 total cpu time spent up to now is 164.2 secs Computing kpt #: 118 total cpu time spent up to now is 165.5 secs Computing kpt #: 119 total cpu time spent up to now is 166.7 secs Computing kpt #: 120 total cpu time spent up to now is 168.0 secs Computing kpt #: 121 total cpu time spent up to now is 169.2 secs Computing kpt #: 122 total cpu time spent up to now is 170.5 secs Computing kpt #: 123 total cpu time spent up to now is 171.8 secs Computing kpt #: 124 total cpu time spent up to now is 173.0 secs Computing kpt #: 125 total cpu time spent up to now is 174.2 secs Computing kpt #: 126 total cpu time spent up to now is 175.5 secs Computing kpt #: 127 total cpu time spent up to now is 176.7 secs Computing kpt #: 128 total cpu time spent up to now is 177.9 secs Computing kpt #: 129 total cpu time spent up to now is 179.1 secs Computing kpt #: 130 total cpu time spent up to now is 180.3 secs Computing kpt #: 131 total cpu time spent up to now is 181.6 secs Computing kpt #: 132 total cpu time spent up to now is 182.8 secs Computing kpt #: 133 total cpu time spent up to now is 184.0 secs Computing kpt #: 134 total cpu time spent up to now is 185.3 secs Computing kpt #: 135 total cpu time spent up to now is 186.5 secs Computing kpt #: 136 total cpu time spent up to now is 187.7 secs Computing kpt #: 137 total cpu time spent up to now is 189.0 secs Computing kpt #: 138 total cpu time spent up to now is 190.2 secs Computing kpt #: 139 total cpu time spent up to now is 191.4 secs Computing kpt #: 140 total cpu time spent up to now is 192.6 secs Computing kpt #: 141 total cpu time spent up to now is 193.9 secs Computing kpt #: 142 total cpu time spent up to now is 195.1 secs Computing kpt #: 143 total cpu time spent up to now is 196.4 secs Computing kpt #: 144 total cpu time spent up to now is 197.6 secs Computing kpt #: 145 total cpu time spent up to now is 198.9 secs Computing kpt #: 146 total cpu time spent up to now is 200.1 secs Computing kpt #: 147 total cpu time spent up to now is 201.3 secs Computing kpt #: 148 total cpu time spent up to now is 202.6 secs Computing kpt #: 149 total cpu time spent up to now is 203.8 secs Computing kpt #: 150 total cpu time spent up to now is 205.0 secs Computing kpt #: 151 total cpu time spent up to now is 206.3 secs Computing kpt #: 152 total cpu time spent up to now is 207.5 secs Computing kpt #: 153 total cpu time spent up to now is 208.8 secs Computing kpt #: 154 total cpu time spent up to now is 210.0 secs Computing kpt #: 155 total cpu time spent up to now is 211.2 secs Computing kpt #: 156 total cpu time spent up to now is 212.5 secs Computing kpt #: 157 total cpu time spent up to now is 213.7 secs Computing kpt #: 158 total cpu time spent up to now is 215.0 secs Computing kpt #: 159 total cpu time spent up to now is 216.2 secs Computing kpt #: 160 total cpu time spent up to now is 217.5 secs Computing kpt #: 161 total cpu time spent up to now is 218.7 secs Computing kpt #: 162 total cpu time spent up to now is 220.0 secs Computing kpt #: 163 total cpu time spent up to now is 221.3 secs Computing kpt #: 164 total cpu time spent up to now is 222.5 secs Computing kpt #: 165 total cpu time spent up to now is 223.8 secs Computing kpt #: 166 total cpu time spent up to now is 225.1 secs Computing kpt #: 167 total cpu time spent up to now is 226.4 secs Computing kpt #: 168 total cpu time spent up to now is 227.6 secs Computing kpt #: 169 total cpu time spent up to now is 228.9 secs Computing kpt #: 170 total cpu time spent up to now is 230.2 secs Computing kpt #: 171 total cpu time spent up to now is 231.5 secs Computing kpt #: 172 total cpu time spent up to now is 233.0 secs Computing kpt #: 173 total cpu time spent up to now is 234.5 secs Computing kpt #: 174 total cpu time spent up to now is 235.9 secs Computing kpt #: 175 total cpu time spent up to now is 237.4 secs Computing kpt #: 176 total cpu time spent up to now is 238.9 secs Computing kpt #: 177 total cpu time spent up to now is 240.4 secs Computing kpt #: 178 total cpu time spent up to now is 241.9 secs Computing kpt #: 179 total cpu time spent up to now is 243.5 secs Computing kpt #: 180 total cpu time spent up to now is 245.1 secs Computing kpt #: 181 total cpu time spent up to now is 246.7 secs Computing kpt #: 182 total cpu time spent up to now is 248.6 secs Computing kpt #: 183 total cpu time spent up to now is 250.2 secs Computing kpt #: 184 total cpu time spent up to now is 251.9 secs Computing kpt #: 185 total cpu time spent up to now is 253.5 secs Computing kpt #: 186 total cpu time spent up to now is 255.2 secs Computing kpt #: 187 total cpu time spent up to now is 256.9 secs Computing kpt #: 188 total cpu time spent up to now is 258.5 secs Computing kpt #: 189 total cpu time spent up to now is 260.2 secs Computing kpt #: 190 total cpu time spent up to now is 261.9 secs Computing kpt #: 191 total cpu time spent up to now is 263.5 secs Computing kpt #: 192 total cpu time spent up to now is 265.2 secs Computing kpt #: 193 total cpu time spent up to now is 266.8 secs Computing kpt #: 194 total cpu time spent up to now is 268.6 secs Computing kpt #: 195 total cpu time spent up to now is 270.2 secs Computing kpt #: 196 total cpu time spent up to now is 271.8 secs Computing kpt #: 197 total cpu time spent up to now is 273.4 secs Computing kpt #: 198 total cpu time spent up to now is 275.0 secs Computing kpt #: 199 total cpu time spent up to now is 276.5 secs Computing kpt #: 200 total cpu time spent up to now is 278.0 secs Computing kpt #: 201 total cpu time spent up to now is 279.5 secs Computing kpt #: 202 total cpu time spent up to now is 281.0 secs Computing kpt #: 203 total cpu time spent up to now is 282.6 secs Computing kpt #: 204 total cpu time spent up to now is 284.1 secs Computing kpt #: 205 total cpu time spent up to now is 285.6 secs Computing kpt #: 206 total cpu time spent up to now is 287.1 secs Computing kpt #: 207 total cpu time spent up to now is 288.4 secs Computing kpt #: 208 total cpu time spent up to now is 289.7 secs Computing kpt #: 209 total cpu time spent up to now is 291.1 secs Computing kpt #: 210 total cpu time spent up to now is 292.4 secs Computing kpt #: 211 total cpu time spent up to now is 293.7 secs Computing kpt #: 212 total cpu time spent up to now is 295.0 secs Computing kpt #: 213 total cpu time spent up to now is 296.3 secs Computing kpt #: 214 total cpu time spent up to now is 297.6 secs Computing kpt #: 215 total cpu time spent up to now is 301.5 secs Computing kpt #: 216 total cpu time spent up to now is 302.9 secs Computing kpt #: 217 total cpu time spent up to now is 304.1 secs Computing kpt #: 218 total cpu time spent up to now is 305.4 secs Computing kpt #: 219 total cpu time spent up to now is 306.7 secs Computing kpt #: 220 total cpu time spent up to now is 308.0 secs Computing kpt #: 221 total cpu time spent up to now is 309.3 secs Computing kpt #: 222 total cpu time spent up to now is 310.5 secs Computing kpt #: 223 total cpu time spent up to now is 311.8 secs Computing kpt #: 224 total cpu time spent up to now is 313.0 secs Computing kpt #: 225 total cpu time spent up to now is 314.3 secs Computing kpt #: 226 total cpu time spent up to now is 315.6 secs Computing kpt #: 227 total cpu time spent up to now is 316.9 secs Computing kpt #: 228 total cpu time spent up to now is 318.1 secs Computing kpt #: 229 total cpu time spent up to now is 319.4 secs Computing kpt #: 230 total cpu time spent up to now is 320.6 secs Computing kpt #: 231 total cpu time spent up to now is 321.9 secs Computing kpt #: 232 total cpu time spent up to now is 323.4 secs Computing kpt #: 233 total cpu time spent up to now is 324.8 secs Computing kpt #: 234 total cpu time spent up to now is 326.1 secs Computing kpt #: 235 total cpu time spent up to now is 327.4 secs Computing kpt #: 236 total cpu time spent up to now is 328.6 secs Computing kpt #: 237 total cpu time spent up to now is 329.9 secs Computing kpt #: 238 total cpu time spent up to now is 331.2 secs Computing kpt #: 239 total cpu time spent up to now is 332.6 secs Computing kpt #: 240 total cpu time spent up to now is 333.9 secs Computing kpt #: 241 total cpu time spent up to now is 335.2 secs Computing kpt #: 242 total cpu time spent up to now is 336.5 secs Computing kpt #: 243 total cpu time spent up to now is 337.9 secs Computing kpt #: 244 total cpu time spent up to now is 339.2 secs Computing kpt #: 245 total cpu time spent up to now is 340.5 secs Computing kpt #: 246 total cpu time spent up to now is 341.9 secs Computing kpt #: 247 total cpu time spent up to now is 343.4 secs Computing kpt #: 248 total cpu time spent up to now is 344.9 secs Computing kpt #: 249 total cpu time spent up to now is 346.4 secs Computing kpt #: 250 total cpu time spent up to now is 348.0 secs Computing kpt #: 251 total cpu time spent up to now is 349.5 secs Computing kpt #: 252 total cpu time spent up to now is 351.1 secs Computing kpt #: 253 total cpu time spent up to now is 352.6 secs Computing kpt #: 254 total cpu time spent up to now is 354.2 secs Computing kpt #: 255 total cpu time spent up to now is 355.5 secs Computing kpt #: 256 total cpu time spent up to now is 356.9 secs Computing kpt #: 257 total cpu time spent up to now is 358.3 secs Computing kpt #: 258 total cpu time spent up to now is 359.7 secs Computing kpt #: 259 total cpu time spent up to now is 361.1 secs Computing kpt #: 260 total cpu time spent up to now is 362.4 secs Computing kpt #: 261 total cpu time spent up to now is 364.0 secs Computing kpt #: 262 total cpu time spent up to now is 365.5 secs Computing kpt #: 263 total cpu time spent up to now is 367.0 secs Computing kpt #: 264 total cpu time spent up to now is 368.6 secs Computing kpt #: 265 total cpu time spent up to now is 370.1 secs Computing kpt #: 266 total cpu time spent up to now is 371.6 secs Computing kpt #: 267 total cpu time spent up to now is 372.9 secs Computing kpt #: 268 total cpu time spent up to now is 374.3 secs Computing kpt #: 269 total cpu time spent up to now is 375.6 secs Computing kpt #: 270 total cpu time spent up to now is 376.9 secs Computing kpt #: 271 total cpu time spent up to now is 378.2 secs Computing kpt #: 272 total cpu time spent up to now is 379.5 secs Computing kpt #: 273 total cpu time spent up to now is 380.8 secs Computing kpt #: 274 total cpu time spent up to now is 382.1 secs Computing kpt #: 275 total cpu time spent up to now is 383.4 secs Computing kpt #: 276 total cpu time spent up to now is 384.7 secs Computing kpt #: 277 total cpu time spent up to now is 385.9 secs Computing kpt #: 278 total cpu time spent up to now is 387.2 secs Computing kpt #: 279 total cpu time spent up to now is 388.4 secs Computing kpt #: 280 total cpu time spent up to now is 389.7 secs Computing kpt #: 281 total cpu time spent up to now is 390.9 secs Computing kpt #: 282 total cpu time spent up to now is 392.2 secs Computing kpt #: 283 total cpu time spent up to now is 393.5 secs Computing kpt #: 284 total cpu time spent up to now is 394.7 secs Computing kpt #: 285 total cpu time spent up to now is 395.9 secs Computing kpt #: 286 total cpu time spent up to now is 397.2 secs Computing kpt #: 287 total cpu time spent up to now is 398.4 secs Computing kpt #: 288 total cpu time spent up to now is 399.6 secs Computing kpt #: 289 total cpu time spent up to now is 400.9 secs Computing kpt #: 290 total cpu time spent up to now is 402.1 secs Computing kpt #: 291 total cpu time spent up to now is 403.3 secs Computing kpt #: 292 total cpu time spent up to now is 404.6 secs Computing kpt #: 293 total cpu time spent up to now is 405.8 secs Computing kpt #: 294 total cpu time spent up to now is 407.1 secs Computing kpt #: 295 total cpu time spent up to now is 408.3 secs Computing kpt #: 296 total cpu time spent up to now is 409.5 secs Computing kpt #: 297 total cpu time spent up to now is 410.7 secs Computing kpt #: 298 total cpu time spent up to now is 412.0 secs Computing kpt #: 299 total cpu time spent up to now is 413.2 secs Computing kpt #: 300 total cpu time spent up to now is 414.4 secs Computing kpt #: 301 total cpu time spent up to now is 415.6 secs Computing kpt #: 302 total cpu time spent up to now is 416.8 secs Computing kpt #: 303 total cpu time spent up to now is 418.1 secs Computing kpt #: 304 total cpu time spent up to now is 419.3 secs Computing kpt #: 305 total cpu time spent up to now is 420.5 secs Computing kpt #: 306 total cpu time spent up to now is 421.8 secs Computing kpt #: 307 total cpu time spent up to now is 423.0 secs Computing kpt #: 308 total cpu time spent up to now is 424.2 secs Computing kpt #: 309 total cpu time spent up to now is 425.5 secs Computing kpt #: 310 total cpu time spent up to now is 426.7 secs Computing kpt #: 311 total cpu time spent up to now is 427.9 secs Computing kpt #: 312 total cpu time spent up to now is 429.2 secs Computing kpt #: 313 total cpu time spent up to now is 430.4 secs Computing kpt #: 314 total cpu time spent up to now is 431.7 secs Computing kpt #: 315 total cpu time spent up to now is 432.9 secs Computing kpt #: 316 total cpu time spent up to now is 434.2 secs Computing kpt #: 317 total cpu time spent up to now is 435.5 secs Computing kpt #: 318 total cpu time spent up to now is 436.7 secs Computing kpt #: 319 total cpu time spent up to now is 438.0 secs Computing kpt #: 320 total cpu time spent up to now is 439.3 secs Computing kpt #: 321 total cpu time spent up to now is 440.6 secs Computing kpt #: 322 total cpu time spent up to now is 442.1 secs Computing kpt #: 323 total cpu time spent up to now is 443.6 secs Computing kpt #: 324 total cpu time spent up to now is 445.1 secs Computing kpt #: 325 total cpu time spent up to now is 446.6 secs Computing kpt #: 326 total cpu time spent up to now is 448.2 secs Computing kpt #: 327 total cpu time spent up to now is 449.8 secs Computing kpt #: 328 total cpu time spent up to now is 451.1 secs Computing kpt #: 329 total cpu time spent up to now is 452.3 secs Computing kpt #: 330 total cpu time spent up to now is 453.5 secs Computing kpt #: 331 total cpu time spent up to now is 454.8 secs Computing kpt #: 332 total cpu time spent up to now is 456.0 secs Computing kpt #: 333 total cpu time spent up to now is 457.3 secs Computing kpt #: 334 total cpu time spent up to now is 458.5 secs Computing kpt #: 335 total cpu time spent up to now is 459.7 secs Computing kpt #: 336 total cpu time spent up to now is 460.9 secs Computing kpt #: 337 total cpu time spent up to now is 462.1 secs Computing kpt #: 338 total cpu time spent up to now is 463.4 secs Computing kpt #: 339 total cpu time spent up to now is 464.6 secs Computing kpt #: 340 total cpu time spent up to now is 465.8 secs Computing kpt #: 341 total cpu time spent up to now is 467.0 secs Computing kpt #: 342 total cpu time spent up to now is 468.3 secs Computing kpt #: 343 total cpu time spent up to now is 469.5 secs Computing kpt #: 344 total cpu time spent up to now is 470.8 secs Computing kpt #: 345 total cpu time spent up to now is 472.0 secs Computing kpt #: 346 total cpu time spent up to now is 473.2 secs Computing kpt #: 347 total cpu time spent up to now is 474.4 secs Computing kpt #: 348 total cpu time spent up to now is 475.7 secs ethr = 1.79E-08, avg # of iterations = 18.9 total cpu time spent up to now is 475.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6541 PWs) bands (ev): -21.6255 -21.6255 -21.5917 -21.5917 -11.5895 -11.5895 -11.4974 -11.4974 -6.7350 -6.7350 -6.7070 -6.7070 -4.6890 -4.6890 -4.5321 -4.5321 -4.1856 -4.1856 -4.0312 -4.0312 -3.9914 -3.9914 -3.9175 -3.9175 -1.6507 -1.6507 -1.6140 -1.6140 -1.4179 -1.4179 -1.3206 -1.3206 -0.9599 -0.9599 -0.8835 -0.8835 -0.6739 -0.6739 -0.4951 -0.4951 -0.2656 -0.2656 0.6536 0.6536 0.9047 0.9047 1.0133 1.0133 1.4786 1.4786 1.5298 1.5298 1.8672 1.8672 2.5677 2.5677 5.4671 5.4671 6.3655 6.3655 6.3756 6.3756 6.5314 6.5314 7.1977 7.1977 8.2546 8.2546 k = 0.0065 0.0261-0.0000 ( 6537 PWs) bands (ev): -21.6255 -21.6255 -21.5917 -21.5917 -11.5894 -11.5894 -11.4973 -11.4973 -6.7349 -6.7349 -6.7069 -6.7069 -4.6890 -4.6890 -4.5321 -4.5321 -4.1855 -4.1855 -4.0314 -4.0314 -3.9913 -3.9913 -3.9178 -3.9178 -1.6508 -1.6508 -1.6137 -1.6137 -1.4177 -1.4177 -1.3207 -1.3207 -0.9595 -0.9595 -0.8832 -0.8832 -0.6740 -0.6740 -0.4944 -0.4944 -0.2657 -0.2657 0.6536 0.6536 0.9021 0.9021 1.0155 1.0155 1.4773 1.4773 1.5298 1.5298 1.8664 1.8664 2.5672 2.5672 5.4677 5.4677 6.3642 6.3642 6.3740 6.3740 6.5308 6.5308 7.1975 7.1975 8.2560 8.2560 k = 0.0129 0.0522-0.0000 ( 6535 PWs) bands (ev): -21.6254 -21.6254 -21.5916 -21.5916 -11.5890 -11.5890 -11.4971 -11.4971 -6.7347 -6.7347 -6.7066 -6.7066 -4.6892 -4.6892 -4.5322 -4.5322 -4.1852 -4.1852 -4.0320 -4.0320 -3.9912 -3.9912 -3.9186 -3.9186 -1.6511 -1.6511 -1.6131 -1.6131 -1.4174 -1.4174 -1.3210 -1.3210 -0.9584 -0.9584 -0.8823 -0.8823 -0.6741 -0.6741 -0.4923 -0.4923 -0.2659 -0.2659 0.6538 0.6538 0.8948 0.8948 1.0217 1.0217 1.4734 1.4734 1.5298 1.5298 1.8643 1.8643 2.5657 2.5657 5.4694 5.4694 6.3600 6.3600 6.3694 6.3694 6.5290 6.5290 7.1969 7.1969 8.2604 8.2604 k = 0.0194 0.0783-0.0000 ( 6535 PWs) bands (ev): -21.6254 -21.6254 -21.5916 -21.5916 -11.5883 -11.5883 -11.4967 -11.4967 -6.7343 -6.7343 -6.7062 -6.7062 -4.6896 -4.6896 -4.5322 -4.5322 -4.1848 -4.1848 -4.0330 -4.0330 -3.9909 -3.9909 -3.9201 -3.9201 -1.6517 -1.6517 -1.6120 -1.6120 -1.4167 -1.4167 -1.3215 -1.3215 -0.9564 -0.9564 -0.8808 -0.8808 -0.6742 -0.6742 -0.4888 -0.4888 -0.2662 -0.2662 0.6539 0.6539 0.8840 0.8840 1.0307 1.0307 1.4671 1.4671 1.5296 1.5296 1.8608 1.8608 2.5633 2.5633 5.4723 5.4723 6.3523 6.3523 6.3626 6.3626 6.5260 6.5260 7.1958 7.1958 8.2676 8.2676 k = 0.0259 0.1044-0.0000 ( 6535 PWs) bands (ev): -21.6253 -21.6253 -21.5915 -21.5915 -11.5874 -11.5874 -11.4962 -11.4962 -6.7339 -6.7339 -6.7056 -6.7056 -4.6901 -4.6901 -4.5323 -4.5323 -4.1841 -4.1841 -4.0346 -4.0346 -3.9905 -3.9905 -3.9220 -3.9220 -1.6524 -1.6524 -1.6105 -1.6105 -1.4159 -1.4159 -1.3223 -1.3223 -0.9536 -0.9536 -0.8787 -0.8787 -0.6743 -0.6743 -0.4841 -0.4841 -0.2666 -0.2666 0.6542 0.6542 0.8709 0.8709 1.0413 1.0413 1.4588 1.4588 1.5289 1.5289 1.8560 1.8560 2.5599 2.5599 5.4762 5.4762 6.3404 6.3404 6.3544 6.3544 6.5218 6.5218 7.1942 7.1942 8.2778 8.2778 k = 0.0324 0.1305-0.0000 ( 6533 PWs) bands (ev): -21.6252 -21.6252 -21.5914 -21.5914 -11.5861 -11.5861 -11.4956 -11.4956 -6.7333 -6.7333 -6.7049 -6.7049 -4.6907 -4.6907 -4.5324 -4.5324 -4.1833 -4.1833 -4.0366 -4.0366 -3.9898 -3.9898 -3.9245 -3.9245 -1.6533 -1.6533 -1.6087 -1.6087 -1.4149 -1.4149 -1.3232 -1.3232 -0.9500 -0.9500 -0.8760 -0.8760 -0.6741 -0.6741 -0.4781 -0.4781 -0.2671 -0.2671 0.6545 0.6545 0.8562 0.8562 1.0528 1.0528 1.4487 1.4487 1.5276 1.5276 1.8499 1.8499 2.5554 2.5554 5.4812 5.4812 6.3244 6.3244 6.3448 6.3448 6.5166 6.5166 7.1923 7.1923 8.2908 8.2908 k = 0.0388 0.1567-0.0000 ( 6529 PWs) bands (ev): -21.6251 -21.6251 -21.5913 -21.5913 -11.5847 -11.5847 -11.4948 -11.4948 -6.7326 -6.7326 -6.7039 -6.7039 -4.6915 -4.6915 -4.5325 -4.5325 -4.1824 -4.1824 -4.0392 -4.0392 -3.9889 -3.9889 -3.9276 -3.9276 -1.6545 -1.6545 -1.6067 -1.6067 -1.4137 -1.4137 -1.3245 -1.3245 -0.9454 -0.9454 -0.8728 -0.8728 -0.6736 -0.6736 -0.4711 -0.4711 -0.2677 -0.2677 0.6548 0.6548 0.8404 0.8404 1.0647 1.0647 1.4370 1.4370 1.5257 1.5257 1.8426 1.8426 2.5498 2.5498 5.4871 5.4871 6.3047 6.3047 6.3335 6.3335 6.5103 6.5103 7.1899 7.1899 8.3067 8.3067 k = 0.0453 0.1828-0.0000 ( 6535 PWs) bands (ev): -21.6249 -21.6249 -21.5912 -21.5912 -11.5829 -11.5829 -11.4938 -11.4938 -6.7317 -6.7317 -6.7029 -6.7029 -4.6924 -4.6924 -4.5326 -4.5326 -4.1812 -4.1812 -4.0423 -4.0423 -3.9877 -3.9877 -3.9311 -3.9311 -1.6559 -1.6559 -1.6045 -1.6045 -1.4123 -1.4123 -1.3260 -1.3260 -0.9399 -0.9399 -0.8690 -0.8690 -0.6727 -0.6727 -0.4632 -0.4632 -0.2682 -0.2682 0.6551 0.6551 0.8240 0.8240 1.0768 1.0768 1.4238 1.4238 1.5230 1.5230 1.8343 1.8343 2.5430 2.5430 5.4938 5.4938 6.2818 6.2818 6.3204 6.3204 6.5031 6.5031 7.1870 7.1870 8.3255 8.3255 k = 0.0518 0.2089-0.0000 ( 6535 PWs) bands (ev): -21.6247 -21.6247 -21.5910 -21.5910 -11.5809 -11.5809 -11.4928 -11.4928 -6.7308 -6.7308 -6.7016 -6.7016 -4.6934 -4.6934 -4.5327 -4.5327 -4.1799 -4.1799 -4.0459 -4.0459 -3.9862 -3.9862 -3.9351 -3.9351 -1.6575 -1.6575 -1.6022 -1.6022 -1.4109 -1.4109 -1.3277 -1.3277 -0.9334 -0.9334 -0.8648 -0.8648 -0.6710 -0.6710 -0.4544 -0.4544 -0.2687 -0.2687 0.6553 0.6553 0.8071 0.8071 1.0888 1.0888 1.4094 1.4094 1.5196 1.5196 1.8249 1.8249 2.5351 2.5351 5.5013 5.5013 6.2558 6.2558 6.3056 6.3056 6.4950 6.4950 7.1838 7.1838 8.3472 8.3472 k = 0.0583 0.2350-0.0000 ( 6533 PWs) bands (ev): -21.6245 -21.6245 -21.5908 -21.5908 -11.5787 -11.5787 -11.4917 -11.4917 -6.7297 -6.7297 -6.7003 -6.7003 -4.6947 -4.6947 -4.5329 -4.5329 -4.1785 -4.1785 -4.0501 -4.0501 -3.9845 -3.9845 -3.9396 -3.9396 -1.6594 -1.6594 -1.5998 -1.5998 -1.4095 -1.4095 -1.3297 -1.3297 -0.9259 -0.9259 -0.8600 -0.8600 -0.6686 -0.6686 -0.4449 -0.4449 -0.2691 -0.2691 0.6554 0.6554 0.7899 0.7899 1.1007 1.1007 1.3940 1.3940 1.5154 1.5154 1.8146 1.8146 2.5258 2.5258 5.5093 5.5093 6.2273 6.2273 6.2889 6.2889 6.4861 6.4861 7.1801 7.1801 8.3716 8.3716 k = 0.0647 0.2611-0.0000 ( 6529 PWs) bands (ev): -21.6243 -21.6243 -21.5906 -21.5906 -11.5763 -11.5763 -11.4904 -11.4904 -6.7285 -6.7285 -6.6987 -6.6987 -4.6960 -4.6960 -4.5331 -4.5331 -4.1770 -4.1770 -4.0547 -4.0547 -3.9824 -3.9824 -3.9444 -3.9444 -1.6615 -1.6615 -1.5976 -1.5976 -1.4081 -1.4081 -1.3320 -1.3320 -0.9174 -0.9174 -0.8549 -0.8549 -0.6652 -0.6652 -0.4348 -0.4348 -0.2693 -0.2693 0.6552 0.6552 0.7728 0.7728 1.1123 1.1123 1.3777 1.3777 1.5106 1.5106 1.8037 1.8037 2.5152 2.5152 5.5179 5.5179 6.1964 6.1964 6.2705 6.2705 6.4765 6.4765 7.1761 7.1761 8.3987 8.3987 k = 0.0712 0.2872-0.0000 ( 6525 PWs) bands (ev): -21.6241 -21.6241 -21.5904 -21.5904 -11.5737 -11.5737 -11.4891 -11.4891 -6.7273 -6.7273 -6.6971 -6.6971 -4.6975 -4.6975 -4.5333 -4.5333 -4.1753 -4.1753 -4.0597 -4.0597 -3.9801 -3.9801 -3.9496 -3.9496 -1.6638 -1.6638 -1.5954 -1.5954 -1.4069 -1.4069 -1.3345 -1.3345 -0.9079 -0.9079 -0.8493 -0.8493 -0.6606 -0.6606 -0.4242 -0.4242 -0.2692 -0.2692 0.6545 0.6545 0.7559 0.7559 1.1235 1.1235 1.3607 1.3607 1.5050 1.5050 1.7920 1.7920 2.5031 2.5031 5.5267 5.5267 6.1635 6.1635 6.2504 6.2504 6.4662 6.4662 7.1717 7.1717 8.4284 8.4284 k = 0.0777 0.3133-0.0000 ( 6515 PWs) bands (ev): -21.6239 -21.6239 -21.5902 -21.5902 -11.5708 -11.5708 -11.4877 -11.4877 -6.7260 -6.7260 -6.6952 -6.6952 -4.6992 -4.6992 -4.5335 -4.5335 -4.1736 -4.1736 -4.0651 -4.0651 -3.9777 -3.9777 -3.9551 -3.9551 -1.6663 -1.6663 -1.5935 -1.5935 -1.4060 -1.4060 -1.3372 -1.3372 -0.8975 -0.8975 -0.8433 -0.8433 -0.6547 -0.6547 -0.4132 -0.4132 -0.2688 -0.2688 0.6529 0.6529 0.7398 0.7398 1.1344 1.1344 1.3433 1.3433 1.4988 1.4988 1.7799 1.7799 2.4895 2.4895 5.5356 5.5356 6.1290 6.1290 6.2287 6.2287 6.4553 6.4553 7.1669 7.1669 8.4603 8.4603 k = 0.0841 0.3394-0.0000 ( 6509 PWs) bands (ev): -21.6236 -21.6236 -21.5900 -21.5900 -11.5678 -11.5678 -11.4862 -11.4862 -6.7246 -6.7246 -6.6933 -6.6933 -4.7011 -4.7011 -4.5338 -4.5338 -4.1717 -4.1717 -4.0708 -4.0708 -3.9753 -3.9753 -3.9606 -3.9606 -1.6690 -1.6690 -1.5917 -1.5917 -1.4055 -1.4055 -1.3402 -1.3402 -0.8863 -0.8863 -0.8370 -0.8370 -0.6473 -0.6473 -0.4021 -0.4021 -0.2678 -0.2678 0.6500 0.6500 0.7250 0.7250 1.1448 1.1448 1.3256 1.3256 1.4921 1.4921 1.7675 1.7675 2.4742 2.4742 5.5444 5.5444 6.0934 6.0934 6.2055 6.2055 6.4439 6.4439 7.1619 7.1619 8.4941 8.4941 k = 0.0906 0.3655-0.0000 ( 6517 PWs) bands (ev): -21.6233 -21.6233 -21.5898 -21.5898 -11.5646 -11.5646 -11.4847 -11.4847 -6.7231 -6.7231 -6.6912 -6.6912 -4.7031 -4.7031 -4.5340 -4.5340 -4.1698 -4.1698 -4.0768 -4.0768 -3.9739 -3.9739 -3.9651 -3.9651 -1.6720 -1.6720 -1.5903 -1.5903 -1.4054 -1.4054 -1.3432 -1.3432 -0.8745 -0.8745 -0.8304 -0.8304 -0.6382 -0.6382 -0.3910 -0.3910 -0.2662 -0.2662 0.6448 0.6448 0.7125 0.7125 1.1545 1.1545 1.3080 1.3080 1.4848 1.4848 1.7547 1.7547 2.4573 2.4573 5.5529 5.5529 6.0572 6.0572 6.1808 6.1808 6.4320 6.4320 7.1566 7.1567 8.5291 8.5291 k = 0.0971 0.3916-0.0000 ( 6527 PWs) bands (ev): -21.6231 -21.6231 -21.5895 -21.5895 -11.5613 -11.5613 -11.4831 -11.4831 -6.7216 -6.7216 -6.6889 -6.6889 -4.7053 -4.7053 -4.5343 -4.5343 -4.1679 -4.1679 -4.0830 -4.0830 -3.9768 -3.9768 -3.9655 -3.9655 -1.6751 -1.6751 -1.5891 -1.5891 -1.4059 -1.4059 -1.3463 -1.3463 -0.8621 -0.8621 -0.8235 -0.8235 -0.6272 -0.6272 -0.3800 -0.3800 -0.2638 -0.2638 0.6365 0.6365 0.7031 0.7031 1.1633 1.1633 1.2908 1.2908 1.4771 1.4771 1.7419 1.7419 2.4387 2.4387 5.5606 5.5606 6.0208 6.0208 6.1549 6.1549 6.4197 6.4197 7.1512 7.1512 8.5639 8.5639 k = 0.1036 0.4177-0.0000 ( 6539 PWs) bands (ev): -21.6228 -21.6228 -21.5893 -21.5893 -11.5578 -11.5578 -11.4815 -11.4815 -6.7201 -6.7201 -6.6866 -6.6866 -4.7077 -4.7077 -4.5346 -4.5346 -4.1659 -4.1659 -4.0893 -4.0893 -3.9826 -3.9826 -3.9629 -3.9629 -1.6785 -1.6785 -1.5882 -1.5882 -1.4071 -1.4071 -1.3494 -1.3494 -0.8496 -0.8496 -0.8163 -0.8163 -0.6143 -0.6143 -0.3695 -0.3695 -0.2603 -0.2603 0.6250 0.6250 0.6972 0.6972 1.1707 1.1707 1.2748 1.2748 1.4690 1.4690 1.7290 1.7290 2.4182 2.4182 5.5673 5.5673 5.9850 5.9850 6.1277 6.1277 6.4070 6.4070 7.1457 7.1457 8.5962 8.5962 k = 0.1100 0.4438-0.0000 ( 6531 PWs) bands (ev): -21.6225 -21.6225 -21.5890 -21.5890 -11.5542 -11.5542 -11.4800 -11.4800 -6.7185 -6.7185 -6.6841 -6.6841 -4.7102 -4.7102 -4.5350 -4.5350 -4.1639 -4.1639 -4.0957 -4.0957 -3.9892 -3.9892 -3.9595 -3.9595 -1.6819 -1.6819 -1.5877 -1.5877 -1.4090 -1.4090 -1.3525 -1.3525 -0.8370 -0.8370 -0.8090 -0.8090 -0.5992 -0.5992 -0.3595 -0.3595 -0.2555 -0.2555 0.6108 0.6108 0.6942 0.6942 1.1758 1.1758 1.2610 1.2610 1.4607 1.4607 1.7162 1.7162 2.3959 2.3959 5.5724 5.5724 5.9505 5.9505 6.0995 6.0995 6.3940 6.3940 7.1402 7.1402 8.6220 8.6220 k = 0.1165 0.4700-0.0000 ( 6539 PWs) bands (ev): -21.6222 -21.6222 -21.5888 -21.5888 -11.5506 -11.5506 -11.4784 -11.4784 -6.7169 -6.7169 -6.6815 -6.6815 -4.7129 -4.7129 -4.5353 -4.5353 -4.1619 -4.1619 -4.1021 -4.1021 -3.9961 -3.9961 -3.9559 -3.9559 -1.6855 -1.6855 -1.5874 -1.5874 -1.4115 -1.4115 -1.3556 -1.3556 -0.8246 -0.8246 -0.8014 -0.8014 -0.5820 -0.5820 -0.3505 -0.3505 -0.2492 -0.2492 0.5950 0.5950 0.6931 0.6931 1.1770 1.1770 1.2509 1.2509 1.4522 1.4522 1.7035 1.7035 2.3717 2.3717 5.5754 5.5754 5.9183 5.9183 6.0702 6.0702 6.3808 6.3808 7.1348 7.1348 8.6345 8.6345 k = 0.1230 0.4961-0.0000 ( 6539 PWs) bands (ev): -21.6219 -21.6219 -21.5885 -21.5885 -11.5468 -11.5468 -11.4769 -11.4769 -6.7154 -6.7154 -6.6788 -6.6788 -4.7158 -4.7158 -4.5357 -4.5357 -4.1600 -4.1600 -4.1085 -4.1085 -4.0032 -4.0032 -3.9521 -3.9521 -1.6892 -1.6892 -1.5875 -1.5875 -1.4147 -1.4147 -1.3587 -1.3587 -0.8125 -0.8125 -0.7937 -0.7937 -0.5627 -0.5627 -0.3424 -0.3424 -0.2412 -0.2412 0.5782 0.5782 0.6934 0.6934 1.1729 1.1729 1.2464 1.2464 1.4438 1.4438 1.6911 1.6911 2.3454 2.3454 5.5756 5.5756 5.8892 5.8892 6.0401 6.0401 6.3673 6.3673 7.1295 7.1295 8.6271 8.6271 k = 0.1294 0.5222-0.0000 ( 6551 PWs) bands (ev): -21.6216 -21.6216 -21.5882 -21.5882 -11.5430 -11.5430 -11.4754 -11.4754 -6.7138 -6.7138 -6.6760 -6.6760 -4.7189 -4.7189 -4.5360 -4.5360 -4.1581 -4.1581 -4.1147 -4.1147 -4.0104 -4.0104 -3.9481 -3.9481 -1.6930 -1.6930 -1.5880 -1.5880 -1.4184 -1.4184 -1.3618 -1.3618 -0.8009 -0.8009 -0.7858 -0.7858 -0.5415 -0.5415 -0.3353 -0.3353 -0.2315 -0.2315 0.5608 0.5608 0.6946 0.6946 1.1635 1.1635 1.2471 1.2471 1.4354 1.4354 1.6790 1.6790 2.3173 2.3173 5.5721 5.5721 5.8644 5.8644 6.0092 6.0092 6.3537 6.3537 7.1245 7.1245 8.5992 8.5992 k = 0.1359 0.5483-0.0000 ( 6555 PWs) bands (ev): -21.6213 -21.6213 -21.5880 -21.5880 -11.5391 -11.5391 -11.4740 -11.4740 -6.7122 -6.7122 -6.6731 -6.6731 -4.7222 -4.7222 -4.5364 -4.5364 -4.1563 -4.1563 -4.1209 -4.1209 -4.0176 -4.0176 -3.9441 -3.9441 -1.6967 -1.6967 -1.5888 -1.5888 -1.4225 -1.4225 -1.3650 -1.3650 -0.7899 -0.7899 -0.7779 -0.7779 -0.5186 -0.5186 -0.3291 -0.3291 -0.2201 -0.2201 0.5433 0.5433 0.6967 0.6967 1.1509 1.1509 1.2514 1.2514 1.4273 1.4273 1.6672 1.6672 2.2871 2.2871 5.5646 5.5646 5.8445 5.8445 5.9777 5.9777 6.3400 6.3400 7.1199 7.1199 8.5563 8.5563 k = 0.1424 0.5744-0.0000 ( 6563 PWs) bands (ev): -21.6210 -21.6210 -21.5877 -21.5877 -11.5352 -11.5352 -11.4727 -11.4727 -6.7107 -6.7107 -6.6702 -6.6702 -4.7256 -4.7256 -4.5368 -4.5368 -4.1546 -4.1546 -4.1268 -4.1268 -4.0247 -4.0247 -3.9400 -3.9400 -1.7004 -1.7004 -1.5900 -1.5900 -1.4267 -1.4267 -1.3683 -1.3683 -0.7795 -0.7795 -0.7699 -0.7699 -0.4945 -0.4945 -0.3237 -0.3237 -0.2071 -0.2071 0.5256 0.5256 0.6995 0.6995 1.1365 1.1365 1.2577 1.2577 1.4196 1.4196 1.6558 1.6558 2.2551 2.2551 5.5529 5.5529 5.8301 5.8301 5.9458 5.9458 6.3263 6.3263 7.1157 7.1157 8.5052 8.5052 k = 0.1489 0.6005-0.0000 ( 6543 PWs) bands (ev): -21.6207 -21.6207 -21.5875 -21.5875 -11.5313 -11.5313 -11.4714 -11.4714 -6.7092 -6.7092 -6.6671 -6.6671 -4.7292 -4.7292 -4.5373 -4.5373 -4.1532 -4.1532 -4.1323 -4.1323 -4.0318 -4.0318 -3.9359 -3.9359 -1.7041 -1.7041 -1.5915 -1.5915 -1.4310 -1.4310 -1.3718 -1.3718 -0.7697 -0.7697 -0.7619 -0.7619 -0.4695 -0.4695 -0.3190 -0.3190 -0.1925 -0.1925 0.5080 0.5080 0.7030 0.7030 1.1215 1.1215 1.2649 1.2649 1.4125 1.4125 1.6448 1.6448 2.2211 2.2211 5.5376 5.5376 5.8208 5.8208 5.9136 5.9136 6.3125 6.3125 7.1123 7.1123 8.4500 8.4500 k = 0.1553 0.6266-0.0000 ( 6547 PWs) bands (ev): -21.6204 -21.6204 -21.5872 -21.5872 -11.5274 -11.5274 -11.4703 -11.4703 -6.7078 -6.7078 -6.6639 -6.6639 -4.7330 -4.7330 -4.5377 -4.5377 -4.1521 -4.1521 -4.1374 -4.1374 -4.0388 -4.0388 -3.9317 -3.9317 -1.7076 -1.7076 -1.5935 -1.5935 -1.4351 -1.4351 -1.3755 -1.3755 -0.7606 -0.7606 -0.7538 -0.7538 -0.4443 -0.4443 -0.3146 -0.3146 -0.1764 -0.1764 0.4906 0.4906 0.7072 0.7072 1.1064 1.1064 1.2727 1.2727 1.4061 1.4061 1.6343 1.6343 2.1854 2.1854 5.5195 5.5195 5.8156 5.8156 5.8815 5.8815 6.2988 6.2988 7.1095 7.1095 8.3933 8.3933 k = 0.1618 0.6527-0.0000 ( 6543 PWs) bands (ev): -21.6201 -21.6201 -21.5870 -21.5870 -11.5236 -11.5236 -11.4693 -11.4693 -6.7065 -6.7065 -6.6607 -6.6607 -4.7369 -4.7369 -4.5382 -4.5382 -4.1517 -4.1517 -4.1417 -4.1417 -4.0456 -4.0456 -3.9276 -3.9276 -1.7109 -1.7109 -1.5960 -1.5960 -1.4389 -1.4389 -1.3795 -1.3795 -0.7521 -0.7521 -0.7457 -0.7457 -0.4193 -0.4193 -0.3106 -0.3106 -0.1587 -0.1587 0.4732 0.4732 0.7122 0.7122 1.0913 1.0913 1.2807 1.2807 1.4006 1.4006 1.6244 1.6244 2.1480 2.1480 5.4998 5.4998 5.8126 5.8126 5.8509 5.8509 6.2852 6.2852 7.1077 7.1077 8.3366 8.3366 k = 0.1683 0.6788-0.0000 ( 6537 PWs) bands (ev): -21.6199 -21.6199 -21.5867 -21.5867 -11.5198 -11.5198 -11.4685 -11.4685 -6.7052 -6.7052 -6.6574 -6.6574 -4.7410 -4.7410 -4.5387 -4.5387 -4.1528 -4.1528 -4.1442 -4.1442 -4.0521 -4.0521 -3.9236 -3.9236 -1.7140 -1.7140 -1.5989 -1.5989 -1.4423 -1.4423 -1.3837 -1.3837 -0.7443 -0.7443 -0.7375 -0.7375 -0.3953 -0.3953 -0.3067 -0.3067 -0.1395 -0.1395 0.4561 0.4561 0.7180 0.7180 1.0763 1.0763 1.2889 1.2889 1.3960 1.3960 1.6150 1.6150 2.1091 2.1091 5.4798 5.4798 5.8029 5.8029 5.8297 5.8297 6.2717 6.2717 7.1068 7.1068 8.2806 8.2806 k = 0.1748 0.7049-0.0000 ( 6533 PWs) bands (ev): -21.6196 -21.6196 -21.5865 -21.5865 -11.5161 -11.5161 -11.4678 -11.4678 -6.7040 -6.7040 -6.6540 -6.6540 -4.7452 -4.7452 -4.5392 -4.5392 -4.1556 -4.1556 -4.1448 -4.1448 -4.0585 -4.0585 -3.9196 -3.9196 -1.7167 -1.7167 -1.6022 -1.6022 -1.4452 -1.4452 -1.3881 -1.3881 -0.7371 -0.7371 -0.7293 -0.7293 -0.3726 -0.3726 -0.3029 -0.3029 -0.1186 -0.1186 0.4390 0.4390 0.7247 0.7247 1.0617 1.0617 1.2970 1.2970 1.3927 1.3927 1.6064 1.6064 2.0689 2.0689 5.4603 5.4603 5.7764 5.7764 5.8276 5.8276 6.2583 6.2583 7.1071 7.1071 8.2259 8.2259 k = 0.1812 0.7310-0.0000 ( 6533 PWs) bands (ev): -21.6194 -21.6194 -21.5863 -21.5863 -11.5124 -11.5124 -11.4672 -11.4672 -6.7029 -6.7029 -6.6506 -6.6506 -4.7496 -4.7496 -4.5398 -4.5398 -4.1590 -4.1590 -4.1446 -4.1446 -4.0645 -4.0645 -3.9157 -3.9157 -1.7191 -1.7191 -1.6059 -1.6059 -1.4474 -1.4474 -1.3927 -1.3927 -0.7305 -0.7305 -0.7213 -0.7213 -0.3519 -0.3519 -0.2993 -0.2993 -0.0960 -0.0960 0.4221 0.4221 0.7323 0.7323 1.0472 1.0472 1.3050 1.3050 1.3905 1.3905 1.5986 1.5986 2.0276 2.0276 5.4421 5.4421 5.7453 5.7453 5.8318 5.8318 6.2452 6.2452 7.1086 7.1086 8.1728 8.1728 k = 0.1877 0.7571-0.0000 ( 6513 PWs) bands (ev): -21.6192 -21.6192 -21.5861 -21.5861 -11.5089 -11.5089 -11.4669 -11.4669 -6.7019 -6.7019 -6.6471 -6.6471 -4.7541 -4.7541 -4.5403 -4.5403 -4.1624 -4.1624 -4.1442 -4.1442 -4.0702 -4.0702 -3.9119 -3.9119 -1.7212 -1.7212 -1.6101 -1.6101 -1.4489 -1.4489 -1.3976 -1.3976 -0.7244 -0.7244 -0.7134 -0.7134 -0.3333 -0.3333 -0.2958 -0.2958 -0.0718 -0.0718 0.4052 0.4052 0.7409 0.7409 1.0329 1.0329 1.3129 1.3129 1.3896 1.3896 1.5919 1.5919 1.9855 1.9855 5.4258 5.4258 5.7138 5.7138 5.8380 5.8380 6.2323 6.2323 7.1115 7.1115 8.1213 8.1213 k = 0.1942 0.7833-0.0000 ( 6507 PWs) bands (ev): -21.6190 -21.6190 -21.5859 -21.5859 -11.5054 -11.5054 -11.4668 -11.4668 -6.7010 -6.7010 -6.6436 -6.6436 -4.7587 -4.7587 -4.5409 -4.5409 -4.1655 -4.1655 -4.1440 -4.1440 -4.0755 -4.0755 -3.9083 -3.9083 -1.7227 -1.7227 -1.6145 -1.6145 -1.4498 -1.4498 -1.4026 -1.4026 -0.7189 -0.7189 -0.7057 -0.7057 -0.3171 -0.3171 -0.2924 -0.2924 -0.0462 -0.0462 0.3882 0.3882 0.7504 0.7504 1.0188 1.0188 1.3205 1.3205 1.3900 1.3900 1.5864 1.5864 1.9431 1.9431 5.4118 5.4118 5.6826 5.6826 5.8454 5.8454 6.2197 6.2197 7.1159 7.1159 8.0717 8.0717 k = 0.2006 0.8094-0.0000 ( 6514 PWs) bands (ev): -21.6188 -21.6188 -21.5858 -21.5858 -11.5022 -11.5022 -11.4668 -11.4668 -6.7002 -6.7002 -6.6400 -6.6400 -4.7635 -4.7635 -4.5416 -4.5416 -4.1682 -4.1682 -4.1438 -4.1438 -4.0805 -4.0805 -3.9047 -3.9047 -1.7238 -1.7238 -1.6192 -1.6192 -1.4499 -1.4499 -1.4078 -1.4078 -0.7138 -0.7138 -0.6983 -0.6983 -0.3032 -0.3032 -0.2892 -0.2892 -0.0196 -0.0196 0.3711 0.3711 0.7609 0.7609 1.0046 1.0046 1.3279 1.3279 1.3916 1.3916 1.5826 1.5826 1.9005 1.9005 5.4004 5.4004 5.6521 5.6521 5.8534 5.8534 6.2073 6.2073 7.1218 7.1218 8.0240 8.0240 k = 0.2071 0.8355-0.0000 ( 6510 PWs) bands (ev): -21.6186 -21.6186 -21.5856 -21.5856 -11.4990 -11.4990 -11.4671 -11.4671 -6.6996 -6.6996 -6.6365 -6.6365 -4.7683 -4.7683 -4.5423 -4.5423 -4.1704 -4.1704 -4.1439 -4.1439 -4.0850 -4.0850 -3.9014 -3.9014 -1.7244 -1.7244 -1.6241 -1.6241 -1.4494 -1.4494 -1.4130 -1.4130 -0.7093 -0.7093 -0.6912 -0.6912 -0.2915 -0.2915 -0.2863 -0.2863 0.0079 0.0079 0.3537 0.3537 0.7723 0.7723 0.9904 0.9904 1.3349 1.3349 1.3940 1.3940 1.5808 1.5808 1.8583 1.8583 5.3918 5.3918 5.6225 5.6225 5.8620 5.8620 6.1954 6.1954 7.1295 7.1295 7.9780 7.9780 k = 0.2136 0.8616-0.0000 ( 6508 PWs) bands (ev): -21.6185 -21.6185 -21.5855 -21.5855 -11.4960 -11.4960 -11.4676 -11.4676 -6.6991 -6.6991 -6.6329 -6.6329 -4.7732 -4.7732 -4.5431 -4.5431 -4.1722 -4.1722 -4.1442 -4.1442 -4.0891 -4.0891 -3.8982 -3.8982 -1.7244 -1.7244 -1.6291 -1.6291 -1.4482 -1.4482 -1.4183 -1.4183 -0.7053 -0.7053 -0.6843 -0.6843 -0.2839 -0.2839 -0.2817 -0.2817 0.0358 0.0358 0.3360 0.3360 0.7844 0.7844 0.9760 0.9760 1.3415 1.3415 1.3969 1.3969 1.5816 1.5816 1.8169 1.8169 5.3861 5.3861 5.5941 5.5941 5.8710 5.8710 6.1837 6.1837 7.1389 7.1389 7.9340 7.9340 k = 0.2201 0.8877-0.0000 ( 6504 PWs) bands (ev): -21.6183 -21.6183 -21.5854 -21.5854 -11.4932 -11.4932 -11.4683 -11.4683 -6.6987 -6.6987 -6.6293 -6.6293 -4.7782 -4.7782 -4.5439 -4.5439 -4.1736 -4.1736 -4.1446 -4.1446 -4.0927 -4.0927 -3.8951 -3.8951 -1.7238 -1.7238 -1.6340 -1.6340 -1.4464 -1.4464 -1.4236 -1.4236 -0.7018 -0.7018 -0.6777 -0.6777 -0.2819 -0.2819 -0.2737 -0.2737 0.0638 0.0638 0.3177 0.3177 0.7973 0.7973 0.9614 0.9614 1.3477 1.3477 1.3999 1.3999 1.5856 1.5856 1.7768 1.7768 5.3834 5.3834 5.5671 5.5671 5.8803 5.8803 6.1724 6.1724 7.1502 7.1502 7.8917 7.8917 k = 0.2265 0.9138-0.0000 ( 6500 PWs) bands (ev): -21.6182 -21.6182 -21.5853 -21.5853 -11.4906 -11.4906 -11.4693 -11.4693 -6.6984 -6.6984 -6.6256 -6.6256 -4.7832 -4.7832 -4.5448 -4.5448 -4.1744 -4.1744 -4.1453 -4.1453 -4.0958 -4.0958 -3.8923 -3.8923 -1.7226 -1.7226 -1.6389 -1.6389 -1.4441 -1.4441 -1.4289 -1.4289 -0.6989 -0.6989 -0.6715 -0.6715 -0.2805 -0.2805 -0.2672 -0.2672 0.0915 0.0915 0.2987 0.2987 0.8106 0.8106 0.9464 0.9464 1.3533 1.3533 1.4023 1.4023 1.5934 1.5934 1.7385 1.7385 5.3837 5.3837 5.5417 5.5417 5.8899 5.8899 6.1614 6.1614 7.1634 7.1634 7.8512 7.8512 k = 0.2330 0.9399-0.0000 ( 6498 PWs) bands (ev): -21.6182 -21.6182 -21.5853 -21.5853 -11.4882 -11.4882 -11.4705 -11.4705 -6.6983 -6.6983 -6.6220 -6.6220 -4.7882 -4.7882 -4.5457 -4.5457 -4.1749 -4.1749 -4.1461 -4.1461 -4.0985 -4.0985 -3.8897 -3.8897 -1.7209 -1.7209 -1.6436 -1.6436 -1.4414 -1.4414 -1.4339 -1.4339 -0.6966 -0.6966 -0.6656 -0.6656 -0.2799 -0.2799 -0.2618 -0.2618 0.1188 0.1188 0.2789 0.2789 0.8244 0.8244 0.9310 0.9310 1.3583 1.3583 1.4040 1.4040 1.6055 1.6055 1.7025 1.7025 5.3869 5.3869 5.5181 5.5181 5.8997 5.8997 6.1508 6.1508 7.1787 7.1787 7.8123 7.8123 k = 0.2395 0.9660-0.0000 ( 6490 PWs) bands (ev): -21.6181 -21.6181 -21.5852 -21.5852 -11.4860 -11.4860 -11.4719 -11.4719 -6.6983 -6.6983 -6.6184 -6.6184 -4.7933 -4.7933 -4.5468 -4.5468 -4.1748 -4.1748 -4.1470 -4.1470 -4.1007 -4.1007 -3.8873 -3.8873 -1.7185 -1.7185 -1.6481 -1.6481 -1.4401 -1.4401 -1.4371 -1.4371 -0.6948 -0.6948 -0.6601 -0.6601 -0.2801 -0.2801 -0.2574 -0.2574 0.1455 0.1455 0.2582 0.2582 0.8383 0.8383 0.9152 0.9152 1.3624 1.3624 1.4046 1.4046 1.6219 1.6219 1.6694 1.6694 5.3929 5.3929 5.4966 5.4966 5.9097 5.9097 6.1406 6.1406 7.1961 7.1961 7.7750 7.7750 k = 0.2459 0.9921-0.0000 ( 6482 PWs) bands (ev): -21.6181 -21.6181 -21.5852 -21.5852 -11.4839 -11.4839 -11.4736 -11.4736 -6.6984 -6.6984 -6.6148 -6.6148 -4.7984 -4.7984 -4.5479 -4.5479 -4.1744 -4.1744 -4.1481 -4.1481 -4.1025 -4.1025 -3.8851 -3.8851 -1.7156 -1.7156 -1.6522 -1.6522 -1.4443 -1.4443 -1.4341 -1.4341 -0.6935 -0.6935 -0.6550 -0.6550 -0.2810 -0.2810 -0.2540 -0.2540 0.1715 0.1715 0.2363 0.2363 0.8521 0.8521 0.8992 0.8992 1.3655 1.3655 1.4042 1.4042 1.6395 1.6395 1.6428 1.6428 5.4014 5.4014 5.4778 5.4778 5.9198 5.9198 6.1307 6.1307 7.2156 7.2156 7.7393 7.7393 k = 0.2524 1.0182-0.0000 ( 6490 PWs) bands (ev): -21.6181 -21.6181 -21.5852 -21.5852 -11.4821 -11.4821 -11.4755 -11.4755 -6.6987 -6.6987 -6.6113 -6.6113 -4.8035 -4.8035 -4.5491 -4.5491 -4.1736 -4.1736 -4.1492 -4.1492 -4.1038 -4.1038 -3.8832 -3.8832 -1.7121 -1.7121 -1.6560 -1.6560 -1.4490 -1.4490 -1.4302 -1.4302 -0.6928 -0.6928 -0.6503 -0.6503 -0.2829 -0.2829 -0.2514 -0.2514 0.1967 0.1967 0.2134 0.2134 0.8646 0.8646 0.8841 0.8841 1.3675 1.3675 1.4031 1.4031 1.6137 1.6137 1.6675 1.6675 5.4114 5.4114 5.4624 5.4624 5.9302 5.9302 6.1212 6.1212 7.2373 7.2373 7.7050 7.7050 k = 0.2589 1.0443-0.0000 ( 6494 PWs) bands (ev): -21.6181 -21.6181 -21.5852 -21.5852 -11.4805 -11.4805 -11.4776 -11.4776 -6.6991 -6.6991 -6.6077 -6.6077 -4.8085 -4.8085 -4.5503 -4.5503 -4.1725 -4.1725 -4.1502 -4.1502 -4.1045 -4.1045 -3.8815 -3.8815 -1.7081 -1.7081 -1.6593 -1.6593 -1.4534 -1.4534 -1.4260 -1.4260 -0.6927 -0.6927 -0.6461 -0.6461 -0.2855 -0.2855 -0.2496 -0.2496 0.1890 0.1890 0.2212 0.2212 0.8620 0.8620 0.8839 0.8839 1.3681 1.3681 1.4013 1.4013 1.5920 1.5920 1.6959 1.6959 5.4198 5.4198 5.4538 5.4538 5.9406 5.9406 6.1120 6.1120 7.2612 7.2612 7.6721 7.6721 k = 0.2654 1.0704-0.0000 ( 6502 PWs) bands (ev): -21.6181 -21.6181 -21.5853 -21.5853 -11.4800 -11.4800 -11.4791 -11.4791 -6.6996 -6.6996 -6.6043 -6.6043 -4.8136 -4.8136 -4.5517 -4.5517 -4.1712 -4.1712 -4.1511 -4.1511 -4.1048 -4.1048 -3.8800 -3.8800 -1.7038 -1.7038 -1.6621 -1.6621 -1.4574 -1.4574 -1.4215 -1.4215 -0.6931 -0.6931 -0.6422 -0.6422 -0.2889 -0.2889 -0.2488 -0.2488 0.1634 0.1634 0.2449 0.2449 0.8463 0.8463 0.8966 0.8966 1.3675 1.3675 1.3988 1.3988 1.5748 1.5748 1.7273 1.7273 5.4196 5.4196 5.4589 5.4589 5.9513 5.9513 6.1032 6.1032 7.2873 7.2873 7.6405 7.6405 k = 0.2654 1.0704-0.0000 ( 6502 PWs) bands (ev): -21.6181 -21.6181 -21.5853 -21.5853 -11.4800 -11.4800 -11.4791 -11.4791 -6.6996 -6.6996 -6.6043 -6.6043 -4.8136 -4.8136 -4.5517 -4.5517 -4.1712 -4.1712 -4.1511 -4.1511 -4.1048 -4.1048 -3.8800 -3.8800 -1.7038 -1.7038 -1.6621 -1.6621 -1.4574 -1.4574 -1.4215 -1.4215 -0.6931 -0.6931 -0.6422 -0.6422 -0.2889 -0.2889 -0.2488 -0.2488 0.1634 0.1634 0.2449 0.2449 0.8463 0.8463 0.8966 0.8966 1.3675 1.3675 1.3988 1.3988 1.5748 1.5748 1.7273 1.7273 5.4196 5.4196 5.4589 5.4589 5.9513 5.9513 6.1032 6.1032 7.2873 7.2873 7.6405 7.6405 k = 0.2388 1.0704-0.0000 ( 6501 PWs) bands (ev): -21.6181 -21.6181 -21.5852 -21.5852 -11.4801 -11.4801 -11.4788 -11.4788 -6.6994 -6.6994 -6.6052 -6.6052 -4.8120 -4.8120 -4.5517 -4.5517 -4.1714 -4.1714 -4.1509 -4.1509 -4.1048 -4.1048 -3.8804 -3.8804 -1.7045 -1.7045 -1.6618 -1.6618 -1.4564 -1.4564 -1.4227 -1.4227 -0.6929 -0.6929 -0.6435 -0.6435 -0.2878 -0.2878 -0.2491 -0.2491 0.1694 0.1694 0.2396 0.2396 0.8501 0.8501 0.8936 0.8936 1.3678 1.3678 1.3994 1.3994 1.5786 1.5786 1.7194 1.7194 5.4190 5.4190 5.4578 5.4578 5.9486 5.9486 6.1053 6.1053 7.2817 7.2817 7.6472 7.6472 k = 0.2123 1.0704-0.0000 ( 6501 PWs) bands (ev): -21.6181 -21.6181 -21.5852 -21.5852 -11.4806 -11.4806 -11.4780 -11.4780 -6.6992 -6.6992 -6.6064 -6.6064 -4.8098 -4.8098 -4.5524 -4.5524 -4.1712 -4.1712 -4.1508 -4.1508 -4.1046 -4.1046 -3.8808 -3.8808 -1.7044 -1.7044 -1.6622 -1.6622 -1.4551 -1.4551 -1.4239 -1.4239 -0.6924 -0.6924 -0.6455 -0.6455 -0.2865 -0.2865 -0.2498 -0.2498 0.1748 0.1748 0.2349 0.2349 0.8537 0.8537 0.8910 0.8910 1.3683 1.3683 1.3997 1.3997 1.5831 1.5831 1.7113 1.7113 5.4156 5.4156 5.4599 5.4599 5.9459 5.9459 6.1074 6.1074 7.2781 7.2781 7.6522 7.6522 k = 0.1858 1.0704-0.0000 ( 6497 PWs) bands (ev): -21.6181 -21.6181 -21.5852 -21.5852 -11.4810 -11.4810 -11.4773 -11.4773 -6.6988 -6.6988 -6.6078 -6.6078 -4.8070 -4.8070 -4.5536 -4.5536 -4.1708 -4.1708 -4.1508 -4.1508 -4.1045 -4.1045 -3.8813 -3.8813 -1.7036 -1.7036 -1.6631 -1.6631 -1.4536 -1.4536 -1.4253 -1.4253 -0.6918 -0.6918 -0.6481 -0.6481 -0.2850 -0.2850 -0.2509 -0.2509 0.1797 0.1797 0.2306 0.2306 0.8570 0.8570 0.8887 0.8887 1.3690 1.3690 1.3999 1.3999 1.5882 1.5882 1.7030 1.7030 5.4106 5.4106 5.4637 5.4637 5.9432 5.9432 6.1095 6.1095 7.2764 7.2764 7.6554 7.6554 k = 0.1592 1.0704-0.0000 ( 6495 PWs) bands (ev): -21.6181 -21.6181 -21.5852 -21.5852 -11.4815 -11.4815 -11.4767 -11.4767 -6.6984 -6.6984 -6.6092 -6.6092 -4.8039 -4.8039 -4.5553 -4.5553 -4.1701 -4.1701 -4.1508 -4.1508 -4.1043 -4.1043 -3.8819 -3.8819 -1.7021 -1.7021 -1.6647 -1.6647 -1.4520 -1.4520 -1.4268 -1.4268 -0.6909 -0.6909 -0.6513 -0.6513 -0.2832 -0.2832 -0.2524 -0.2524 0.1840 0.1840 0.2269 0.2269 0.8600 0.8600 0.8867 0.8867 1.3697 1.3697 1.3998 1.3998 1.5939 1.5939 1.6945 1.6945 5.4052 5.4052 5.4681 5.4681 5.9407 5.9407 6.1112 6.1112 7.2765 7.2765 7.6569 7.6569 k = 0.1327 1.0704-0.0000 ( 6498 PWs) bands (ev): -21.6181 -21.6181 -21.5852 -21.5852 -11.4819 -11.4819 -11.4761 -11.4761 -6.6980 -6.6980 -6.6107 -6.6107 -4.8006 -4.8006 -4.5574 -4.5574 -4.1692 -4.1692 -4.1509 -4.1509 -4.1040 -4.1040 -3.8824 -3.8824 -1.7000 -1.7000 -1.6667 -1.6667 -1.4501 -1.4501 -1.4285 -1.4285 -0.6897 -0.6897 -0.6548 -0.6548 -0.2812 -0.2812 -0.2542 -0.2542 0.1877 0.1877 0.2238 0.2238 0.8627 0.8627 0.8850 0.8850 1.3706 1.3706 1.3996 1.3996 1.6000 1.6000 1.6860 1.6860 5.4001 5.4001 5.4725 5.4725 5.9385 5.9385 6.1127 6.1127 7.2780 7.2780 7.6568 7.6568 k = 0.1061 1.0704-0.0000 ( 6507 PWs) bands (ev): -21.6181 -21.6181 -21.5852 -21.5852 -11.4822 -11.4822 -11.4756 -11.4756 -6.6976 -6.6976 -6.6120 -6.6120 -4.7975 -4.7975 -4.5595 -4.5595 -4.1683 -4.1683 -4.1511 -4.1511 -4.1038 -4.1038 -3.8828 -3.8828 -1.6973 -1.6973 -1.6693 -1.6693 -1.4482 -1.4482 -1.4302 -1.4302 -0.6882 -0.6882 -0.6585 -0.6585 -0.2790 -0.2790 -0.2562 -0.2562 0.1908 0.1908 0.2212 0.2212 0.8651 0.8651 0.8835 0.8835 1.3714 1.3714 1.3993 1.3993 1.6065 1.6065 1.6775 1.6775 5.3955 5.3955 5.4763 5.4763 5.9367 5.9367 6.1140 6.1140 7.2803 7.2803 7.6557 7.6557 k = 0.0796 1.0704-0.0000 ( 6505 PWs) bands (ev): -21.6181 -21.6181 -21.5852 -21.5852 -11.4824 -11.4824 -11.4753 -11.4753 -6.6972 -6.6972 -6.6132 -6.6132 -4.7947 -4.7947 -4.5615 -4.5615 -4.1674 -4.1674 -4.1513 -4.1513 -4.1037 -4.1037 -3.8832 -3.8832 -1.6942 -1.6942 -1.6724 -1.6724 -1.4462 -1.4462 -1.4320 -1.4320 -0.6865 -0.6865 -0.6622 -0.6622 -0.2767 -0.2767 -0.2584 -0.2584 0.1933 0.1933 0.2191 0.2191 0.8672 0.8672 0.8822 0.8822 1.3722 1.3722 1.3989 1.3989 1.6133 1.6133 1.6692 1.6692 5.3918 5.3918 5.4794 5.4794 5.9353 5.9353 6.1149 6.1149 7.2830 7.2830 7.6540 7.6540 k = 0.0531 1.0704-0.0000 ( 6498 PWs) bands (ev): -21.6181 -21.6181 -21.5852 -21.5852 -11.4826 -11.4826 -11.4750 -11.4750 -6.6969 -6.6969 -6.6141 -6.6141 -4.7925 -4.7925 -4.5632 -4.5632 -4.1667 -4.1667 -4.1515 -4.1515 -4.1035 -4.1035 -3.8835 -3.8835 -1.6907 -1.6907 -1.6757 -1.6757 -1.4443 -1.4443 -1.4338 -1.4338 -0.6846 -0.6846 -0.6655 -0.6655 -0.2745 -0.2745 -0.2605 -0.2605 0.1952 0.1952 0.2176 0.2176 0.8689 0.8689 0.8811 0.8811 1.3728 1.3728 1.3986 1.3986 1.6200 1.6200 1.6614 1.6614 5.3891 5.3891 5.4818 5.4818 5.9342 5.9342 6.1155 6.1155 7.2854 7.2854 7.6522 7.6522 k = 0.0265 1.0704-0.0000 ( 6494 PWs) bands (ev): -21.6181 -21.6181 -21.5852 -21.5852 -11.4827 -11.4827 -11.4748 -11.4748 -6.6967 -6.6967 -6.6147 -6.6147 -4.7911 -4.7911 -4.5642 -4.5642 -4.1661 -4.1661 -4.1516 -4.1516 -4.1034 -4.1034 -3.8837 -3.8837 -1.6871 -1.6871 -1.6793 -1.6793 -1.4426 -1.4426 -1.4354 -1.4354 -0.6830 -0.6830 -0.6680 -0.6680 -0.2727 -0.2727 -0.2623 -0.2623 0.1963 0.1963 0.2167 0.2167 0.8700 0.8700 0.8803 0.8803 1.3732 1.3732 1.3984 1.3984 1.6257 1.6257 1.6550 1.6550 5.3874 5.3874 5.4832 5.4832 5.9336 5.9336 6.1159 6.1159 7.2871 7.2871 7.6510 7.6510 k = 0.0000 1.0704-0.0000 ( 6502 PWs) bands (ev): -21.6181 -21.6181 -21.5852 -21.5852 -11.4828 -11.4827 -11.4748 -11.4748 -6.6967 -6.6967 -6.6148 -6.6148 -4.7906 -4.7906 -4.5646 -4.5646 -4.1660 -4.1660 -4.1517 -4.1517 -4.1034 -4.1034 -3.8838 -3.8838 -1.6839 -1.6839 -1.6824 -1.6824 -1.4418 -1.4418 -1.4361 -1.4361 -0.6823 -0.6823 -0.6691 -0.6691 -0.2718 -0.2718 -0.2631 -0.2631 0.1967 0.1967 0.2164 0.2164 0.8704 0.8704 0.8800 0.8800 1.3734 1.3734 1.3983 1.3983 1.6284 1.6284 1.6521 1.6521 5.3868 5.3868 5.4837 5.4837 5.9334 5.9334 6.1160 6.1160 7.2877 7.2877 7.6505 7.6505 k = 0.0000 1.0704-0.0000 ( 6502 PWs) bands (ev): -21.6181 -21.6181 -21.5852 -21.5852 -11.4828 -11.4827 -11.4748 -11.4748 -6.6967 -6.6967 -6.6148 -6.6148 -4.7906 -4.7906 -4.5646 -4.5646 -4.1660 -4.1660 -4.1517 -4.1517 -4.1034 -4.1034 -3.8838 -3.8838 -1.6839 -1.6839 -1.6824 -1.6824 -1.4418 -1.4418 -1.4361 -1.4361 -0.6823 -0.6823 -0.6691 -0.6691 -0.2718 -0.2718 -0.2631 -0.2631 0.1967 0.1967 0.2164 0.2164 0.8704 0.8704 0.8800 0.8800 1.3734 1.3734 1.3983 1.3983 1.6284 1.6284 1.6521 1.6521 5.3868 5.3868 5.4837 5.4837 5.9334 5.9334 6.1160 6.1160 7.2877 7.2877 7.6505 7.6505 k = 0.0000 1.0704 0.0265 ( 6490 PWs) bands (ev): -21.6180 -21.6180 -21.5852 -21.5852 -11.4827 -11.4827 -11.4747 -11.4747 -6.6966 -6.6966 -6.6149 -6.6149 -4.7905 -4.7905 -4.5649 -4.5649 -4.1669 -4.1669 -4.1508 -4.1508 -4.1036 -4.1036 -3.8840 -3.8840 -1.6867 -1.6867 -1.6795 -1.6795 -1.4434 -1.4434 -1.4341 -1.4341 -0.6832 -0.6832 -0.6687 -0.6687 -0.2765 -0.2765 -0.2601 -0.2601 0.1941 0.1941 0.2209 0.2209 0.8640 0.8640 0.8858 0.8858 1.3705 1.3705 1.4022 1.4022 1.6276 1.6276 1.6544 1.6544 5.3858 5.3858 5.4829 5.4829 5.9343 5.9343 6.1165 6.1165 7.2882 7.2882 7.6511 7.6511 k = 0.0000 1.0704 0.0530 ( 6496 PWs) bands (ev): -21.6180 -21.6180 -21.5853 -21.5853 -11.4826 -11.4826 -11.4747 -11.4747 -6.6964 -6.6964 -6.6150 -6.6150 -4.7903 -4.7903 -4.5657 -4.5657 -4.1691 -4.1691 -4.1487 -4.1487 -4.1042 -4.1042 -3.8847 -3.8847 -1.6899 -1.6899 -1.6757 -1.6757 -1.4460 -1.4460 -1.4303 -1.4303 -0.6856 -0.6856 -0.6678 -0.6678 -0.2853 -0.2853 -0.2565 -0.2565 0.1900 0.1900 0.2311 0.2311 0.8542 0.8542 0.8941 0.8941 1.3646 1.3646 1.4108 1.4108 1.6260 1.6260 1.6604 1.6604 5.3829 5.3829 5.4806 5.4806 5.9368 5.9368 6.1180 6.1180 7.2896 7.2896 7.6528 7.6528 k = 0.0000 1.0704 0.0795 ( 6498 PWs) bands (ev): -21.6178 -21.6178 -21.5854 -21.5854 -11.4825 -11.4825 -11.4746 -11.4746 -6.6960 -6.6960 -6.6152 -6.6152 -4.7899 -4.7899 -4.5670 -4.5670 -4.1721 -4.1721 -4.1461 -4.1461 -4.1051 -4.1051 -3.8859 -3.8859 -1.6929 -1.6929 -1.6719 -1.6719 -1.4483 -1.4483 -1.4259 -1.4259 -0.6891 -0.6891 -0.6668 -0.6668 -0.2956 -0.2956 -0.2545 -0.2545 0.1871 0.1871 0.2437 0.2437 0.8436 0.8436 0.9018 0.9018 1.3588 1.3588 1.4210 1.4210 1.6252 1.6252 1.6688 1.6688 5.3781 5.3781 5.4768 5.4768 5.9409 5.9409 6.1204 6.1204 7.2919 7.2919 7.6557 7.6557 k = 0.0000 1.0704 0.1060 ( 6510 PWs) bands (ev): -21.6177 -21.6177 -21.5855 -21.5855 -11.4823 -11.4823 -11.4745 -11.4745 -6.6954 -6.6954 -6.6154 -6.6154 -4.7893 -4.7893 -4.5689 -4.5689 -4.1754 -4.1754 -4.1433 -4.1433 -4.1063 -4.1063 -3.8875 -3.8875 -1.6956 -1.6956 -1.6681 -1.6681 -1.4502 -1.4502 -1.4212 -1.4212 -0.6934 -0.6934 -0.6661 -0.6661 -0.3070 -0.3070 -0.2543 -0.2543 0.1862 0.1862 0.2580 0.2580 0.8329 0.8329 0.9085 0.9085 1.3540 1.3540 1.4319 1.4319 1.6257 1.6257 1.6789 1.6789 5.3714 5.3714 5.4714 5.4714 5.9466 5.9466 6.1238 6.1238 7.2951 7.2951 7.6598 7.6598 k = 0.0000 1.0704 0.1325 ( 6516 PWs) bands (ev): -21.6175 -21.6175 -21.5857 -21.5857 -11.4821 -11.4821 -11.4744 -11.4744 -6.6947 -6.6947 -6.6157 -6.6157 -4.7885 -4.7885 -4.5713 -4.5713 -4.1789 -4.1789 -4.1406 -4.1406 -4.1076 -4.1076 -3.8896 -3.8896 -1.6979 -1.6979 -1.6642 -1.6642 -1.4515 -1.4515 -1.4164 -1.4164 -0.6982 -0.6982 -0.6657 -0.6657 -0.3192 -0.3192 -0.2560 -0.2560 0.1873 0.1873 0.2734 0.2734 0.8221 0.8221 0.9142 0.9142 1.3506 1.3506 1.4427 1.4427 1.6282 1.6282 1.6904 1.6904 5.3630 5.3630 5.4645 5.4645 5.9538 5.9538 6.1280 6.1280 7.2993 7.2993 7.6648 7.6648 k = 0.0000 1.0704 0.1590 ( 6512 PWs) bands (ev): -21.6172 -21.6172 -21.5860 -21.5860 -11.4818 -11.4818 -11.4742 -11.4742 -6.6939 -6.6939 -6.6161 -6.6161 -4.7875 -4.7875 -4.5741 -4.5741 -4.1824 -4.1824 -4.1384 -4.1384 -4.1088 -4.1088 -3.8921 -3.8921 -1.6998 -1.6998 -1.6604 -1.6604 -1.4522 -1.4522 -1.4116 -1.4116 -0.7034 -0.7034 -0.6657 -0.6657 -0.3319 -0.3319 -0.2594 -0.2594 0.1905 0.1905 0.2896 0.2896 0.8112 0.8112 0.9185 0.9185 1.3487 1.3487 1.4529 1.4529 1.6329 1.6329 1.7032 1.7032 5.3530 5.3530 5.4562 5.4562 5.9624 5.9624 6.1331 6.1331 7.3045 7.3045 7.6709 7.6709 k = 0.0000 1.0704 0.1855 ( 6512 PWs) bands (ev): -21.6169 -21.6169 -21.5863 -21.5863 -11.4815 -11.4815 -11.4741 -11.4741 -6.6929 -6.6929 -6.6165 -6.6165 -4.7864 -4.7864 -4.5774 -4.5774 -4.1861 -4.1861 -4.1369 -4.1369 -4.1095 -4.1095 -3.8950 -3.8950 -1.7013 -1.7013 -1.6567 -1.6567 -1.4524 -1.4524 -1.4068 -1.4068 -0.7091 -0.7091 -0.6661 -0.6661 -0.3448 -0.3448 -0.2643 -0.2643 0.1956 0.1956 0.3063 0.3063 0.8005 0.8005 0.9215 0.9215 1.3484 1.3484 1.4623 1.4623 1.6401 1.6401 1.7171 1.7171 5.3415 5.3415 5.4464 5.4464 5.9723 5.9723 6.1389 6.1389 7.3106 7.3106 7.6779 7.6779 k = 0.0000 1.0704 0.2120 ( 6516 PWs) bands (ev): -21.6166 -21.6166 -21.5866 -21.5866 -11.4812 -11.4812 -11.4739 -11.4739 -6.6917 -6.6917 -6.6171 -6.6171 -4.7851 -4.7851 -4.5812 -4.5812 -4.1897 -4.1897 -4.1366 -4.1366 -4.1095 -4.1095 -3.8983 -3.8983 -1.7023 -1.7023 -1.6531 -1.6531 -1.4521 -1.4521 -1.4022 -1.4022 -0.7150 -0.7150 -0.6668 -0.6668 -0.3578 -0.3578 -0.2705 -0.2705 0.2023 0.2023 0.3234 0.3234 0.7900 0.7900 0.9231 0.9231 1.3498 1.3498 1.4707 1.4707 1.6498 1.6498 1.7319 1.7319 5.3287 5.3287 5.4351 5.4351 5.9833 5.9833 6.1454 6.1454 7.3178 7.3178 7.6858 7.6858 k = 0.0000 1.0704 0.2385 ( 6520 PWs) bands (ev): -21.6162 -21.6162 -21.5869 -21.5869 -11.4808 -11.4808 -11.4737 -11.4737 -6.6905 -6.6905 -6.6177 -6.6177 -4.7836 -4.7836 -4.5853 -4.5853 -4.1934 -4.1934 -4.1376 -4.1376 -4.1084 -4.1084 -3.9020 -3.9020 -1.7029 -1.7029 -1.6497 -1.6497 -1.4514 -1.4514 -1.3978 -1.3978 -0.7210 -0.7210 -0.6680 -0.6680 -0.3706 -0.3706 -0.2777 -0.2777 0.2105 0.2105 0.3405 0.3405 0.7797 0.7797 0.9233 0.9233 1.3527 1.3527 1.4779 1.4779 1.6620 1.6620 1.7477 1.7477 5.3147 5.3147 5.4226 5.4226 5.9954 5.9954 6.1525 6.1525 7.3260 7.3260 7.6945 7.6945 k = 0.0000 1.0704 0.2650 ( 6522 PWs) bands (ev): -21.6158 -21.6158 -21.5873 -21.5873 -11.4804 -11.4804 -11.4734 -11.4734 -6.6891 -6.6891 -6.6183 -6.6183 -4.7819 -4.7819 -4.5898 -4.5898 -4.1970 -4.1970 -4.1398 -4.1398 -4.1063 -4.1063 -3.9060 -3.9060 -1.7031 -1.7031 -1.6463 -1.6463 -1.4503 -1.4503 -1.3937 -1.3937 -0.7272 -0.7272 -0.6695 -0.6695 -0.3831 -0.3831 -0.2856 -0.2856 0.2198 0.2198 0.3576 0.3576 0.7697 0.7697 0.9221 0.9221 1.3570 1.3570 1.4839 1.4839 1.6765 1.6765 1.7642 1.7642 5.2997 5.2997 5.4087 5.4087 6.0083 6.0083 6.1601 6.1601 7.3353 7.3353 7.7038 7.7038 k = 0.0000 1.0704 0.2915 ( 6526 PWs) bands (ev): -21.6154 -21.6154 -21.5878 -21.5878 -11.4799 -11.4799 -11.4732 -11.4732 -6.6875 -6.6875 -6.6191 -6.6191 -4.7800 -4.7800 -4.5946 -4.5946 -4.2006 -4.2006 -4.1431 -4.1431 -4.1035 -4.1035 -3.9103 -3.9103 -1.7027 -1.7027 -1.6432 -1.6432 -1.4488 -1.4488 -1.3901 -1.3901 -0.7333 -0.7333 -0.6714 -0.6714 -0.3950 -0.3950 -0.2941 -0.2941 0.2300 0.2300 0.3743 0.3743 0.7600 0.7600 0.9196 0.9196 1.3625 1.3625 1.4889 1.4889 1.6930 1.6930 1.7814 1.7814 5.2839 5.2839 5.3937 5.3937 6.0220 6.0220 6.1680 6.1680 7.3456 7.3456 7.7137 7.7137 k = 0.0000 1.0704 0.3180 ( 6522 PWs) bands (ev): -21.6149 -21.6149 -21.5883 -21.5883 -11.4794 -11.4794 -11.4729 -11.4729 -6.6859 -6.6859 -6.6199 -6.6199 -4.7779 -4.7779 -4.5997 -4.5997 -4.2041 -4.2041 -4.1470 -4.1470 -4.1001 -4.1001 -3.9149 -3.9149 -1.7018 -1.7018 -1.6401 -1.6401 -1.4471 -1.4471 -1.3870 -1.3870 -0.7393 -0.7393 -0.6735 -0.6735 -0.4064 -0.4064 -0.3031 -0.3031 0.2410 0.2410 0.3907 0.3907 0.7507 0.7507 0.9159 0.9159 1.3690 1.3690 1.4931 1.4931 1.7113 1.7113 1.7992 1.7992 5.2673 5.2673 5.3775 5.3775 6.0364 6.0364 6.1763 6.1763 7.3571 7.3571 7.7241 7.7241 k = 0.0000 1.0704 0.3445 ( 6534 PWs) bands (ev): -21.6143 -21.6143 -21.5888 -21.5888 -11.4789 -11.4789 -11.4727 -11.4727 -6.6842 -6.6842 -6.6208 -6.6208 -4.7757 -4.7757 -4.6051 -4.6051 -4.2076 -4.2076 -4.1515 -4.1515 -4.0964 -4.0964 -3.9198 -3.9198 -1.7005 -1.7005 -1.6373 -1.6373 -1.4453 -1.4453 -1.3844 -1.3844 -0.7451 -0.7451 -0.6760 -0.6760 -0.4169 -0.4169 -0.3122 -0.3122 0.2525 0.2525 0.4065 0.4065 0.7419 0.7419 0.9112 0.9112 1.3764 1.3764 1.4965 1.4965 1.7309 1.7309 1.8174 1.8174 5.2504 5.2504 5.3603 5.3603 6.0512 6.0512 6.1848 6.1848 7.3696 7.3696 7.7348 7.7348 k = 0.0000 1.0704 0.3710 ( 6532 PWs) bands (ev): -21.6138 -21.6138 -21.5893 -21.5893 -11.4784 -11.4784 -11.4724 -11.4724 -6.6824 -6.6824 -6.6217 -6.6217 -4.7733 -4.7733 -4.6107 -4.6107 -4.2109 -4.2109 -4.1563 -4.1563 -4.0925 -4.0925 -3.9248 -3.9248 -1.6987 -1.6987 -1.6345 -1.6345 -1.4434 -1.4434 -1.3824 -1.3824 -0.7505 -0.7505 -0.6788 -0.6788 -0.4266 -0.4266 -0.3214 -0.3214 0.2646 0.2646 0.4215 0.4215 0.7337 0.7337 0.9056 0.9056 1.3843 1.3843 1.4994 1.4994 1.7515 1.7515 1.8359 1.8359 5.2331 5.2331 5.3422 5.3422 6.0664 6.0664 6.1933 6.1933 7.3834 7.3834 7.7457 7.7457 k = 0.0000 1.0704 0.3975 ( 6528 PWs) bands (ev): -21.6131 -21.6131 -21.5899 -21.5899 -11.4779 -11.4779 -11.4722 -11.4722 -6.6804 -6.6804 -6.6228 -6.6228 -4.7706 -4.7706 -4.6164 -4.6164 -4.2140 -4.2140 -4.1614 -4.1614 -4.0884 -4.0884 -3.9301 -3.9301 -1.6964 -1.6964 -1.6320 -1.6320 -1.4415 -1.4415 -1.3810 -1.3810 -0.7555 -0.7555 -0.6819 -0.6819 -0.4354 -0.4354 -0.3307 -0.3307 0.2769 0.2769 0.4356 0.4356 0.7262 0.7262 0.8991 0.8991 1.3927 1.3927 1.5018 1.5018 1.7728 1.7728 1.8545 1.8545 5.2157 5.2157 5.3233 5.3233 6.0818 6.0818 6.2019 6.2019 7.3982 7.3982 7.7568 7.7568 k = 0.0000 1.0704 0.4240 ( 6532 PWs) bands (ev): -21.6125 -21.6125 -21.5905 -21.5905 -11.4773 -11.4773 -11.4720 -11.4720 -6.6784 -6.6784 -6.6239 -6.6239 -4.7678 -4.7678 -4.6224 -4.6224 -4.2170 -4.2170 -4.1666 -4.1666 -4.0841 -4.0841 -3.9355 -3.9355 -1.6937 -1.6937 -1.6296 -1.6296 -1.4396 -1.4396 -1.3803 -1.3803 -0.7599 -0.7599 -0.6852 -0.6852 -0.4431 -0.4431 -0.3399 -0.3399 0.2894 0.2894 0.4486 0.4486 0.7194 0.7194 0.8920 0.8920 1.4014 1.4014 1.5038 1.5038 1.7946 1.7946 1.8730 1.8730 5.1985 5.1985 5.3038 5.3038 6.0973 6.0973 6.2102 6.2102 7.4142 7.4142 7.7677 7.7677 k = 0.0000 1.0704 0.4505 ( 6530 PWs) bands (ev): -21.6118 -21.6118 -21.5912 -21.5912 -11.4768 -11.4768 -11.4717 -11.4717 -6.6764 -6.6764 -6.6251 -6.6251 -4.7648 -4.7648 -4.6284 -4.6284 -4.2198 -4.2198 -4.1720 -4.1720 -4.0797 -4.0797 -3.9411 -3.9411 -1.6906 -1.6906 -1.6274 -1.6274 -1.4378 -1.4378 -1.3802 -1.3802 -0.7638 -0.7638 -0.6888 -0.6888 -0.4498 -0.4498 -0.3490 -0.3490 0.3021 0.3021 0.4604 0.4604 0.7136 0.7136 0.8842 0.8842 1.4101 1.4101 1.5055 1.5055 1.8165 1.8165 1.8913 1.8913 5.1816 5.1816 5.2840 5.2840 6.1127 6.1127 6.2183 6.2183 7.4313 7.4313 7.7784 7.7784 k = 0.0000 1.0704 0.4770 ( 6536 PWs) bands (ev): -21.6112 -21.6112 -21.5918 -21.5918 -11.4762 -11.4762 -11.4715 -11.4715 -6.6742 -6.6742 -6.6264 -6.6264 -4.7615 -4.7615 -4.6346 -4.6346 -4.2224 -4.2224 -4.1773 -4.1773 -4.0752 -4.0752 -3.9467 -3.9467 -1.6871 -1.6871 -1.6255 -1.6255 -1.4362 -1.4362 -1.3808 -1.3808 -0.7669 -0.7669 -0.6926 -0.6926 -0.4553 -0.4553 -0.3579 -0.3579 0.3148 0.3148 0.4707 0.4707 0.7089 0.7089 0.8760 0.8760 1.4189 1.4189 1.5069 1.5069 1.8383 1.8383 1.9090 1.9090 5.1652 5.1652 5.2638 5.2638 6.1279 6.1279 6.2261 6.2261 7.4496 7.4496 7.7885 7.7885 k = 0.0000 1.0704 0.5034 ( 6538 PWs) bands (ev): -21.6104 -21.6104 -21.5925 -21.5925 -11.4757 -11.4757 -11.4713 -11.4713 -6.6721 -6.6721 -6.6277 -6.6277 -4.7581 -4.7581 -4.6409 -4.6409 -4.2247 -4.2247 -4.1826 -4.1826 -4.0707 -4.0707 -3.9525 -3.9525 -1.6832 -1.6832 -1.6237 -1.6237 -1.4347 -1.4347 -1.3819 -1.3819 -0.7694 -0.7694 -0.6967 -0.6967 -0.4598 -0.4598 -0.3666 -0.3666 0.3276 0.3276 0.4793 0.4793 0.7055 0.7055 0.8673 0.8673 1.4275 1.4275 1.5079 1.5079 1.8598 1.8598 1.9261 1.9261 5.1496 5.1496 5.2436 5.2436 6.1428 6.1428 6.2334 6.2334 7.4691 7.4691 7.7979 7.7979 k = 0.0000 1.0704 0.5299 ( 6534 PWs) bands (ev): -21.6097 -21.6097 -21.5933 -21.5933 -11.4752 -11.4752 -11.4711 -11.4711 -6.6698 -6.6698 -6.6292 -6.6292 -4.7545 -4.7545 -4.6472 -4.6472 -4.2267 -4.2267 -4.1879 -4.1879 -4.0660 -4.0660 -3.9583 -3.9583 -1.6790 -1.6790 -1.6223 -1.6223 -1.4333 -1.4333 -1.3836 -1.3836 -0.7711 -0.7711 -0.7011 -0.7011 -0.4632 -0.4632 -0.3752 -0.3752 0.3403 0.3403 0.4861 0.4861 0.7035 0.7035 0.8582 0.8582 1.4358 1.4358 1.5087 1.5087 1.8807 1.8807 1.9422 1.9422 5.1350 5.1350 5.2236 5.2236 6.1573 6.1573 6.2401 6.2401 7.4896 7.4896 7.8062 7.8062 k = 0.0000 1.0704 0.5564 ( 6530 PWs) bands (ev): -21.6089 -21.6089 -21.5940 -21.5940 -11.4746 -11.4746 -11.4710 -11.4710 -6.6676 -6.6676 -6.6307 -6.6307 -4.7507 -4.7507 -4.6535 -4.6535 -4.2284 -4.2284 -4.1929 -4.1929 -4.0613 -4.0613 -3.9641 -3.9641 -1.6745 -1.6745 -1.6212 -1.6212 -1.4320 -1.4320 -1.3858 -1.3858 -0.7720 -0.7720 -0.7056 -0.7056 -0.4654 -0.4654 -0.3835 -0.3835 0.3528 0.3528 0.4908 0.4908 0.7032 0.7032 0.8489 0.8489 1.4438 1.4438 1.5092 1.5092 1.9008 1.9008 1.9573 1.9573 5.1216 5.1216 5.2040 5.2040 6.1712 6.1712 6.2461 6.2461 7.5112 7.5112 7.8129 7.8129 k = 0.0000 1.0704 0.5829 ( 6528 PWs) bands (ev): -21.6081 -21.6081 -21.5948 -21.5948 -11.4741 -11.4741 -11.4709 -11.4709 -6.6653 -6.6653 -6.6322 -6.6322 -4.7467 -4.7467 -4.6598 -4.6598 -4.2297 -4.2297 -4.1979 -4.1979 -4.0565 -4.0565 -3.9700 -3.9700 -1.6699 -1.6699 -1.6206 -1.6206 -1.4308 -1.4308 -1.3885 -1.3885 -0.7722 -0.7722 -0.7103 -0.7103 -0.4666 -0.4666 -0.3916 -0.3916 0.3653 0.3653 0.4935 0.4935 0.7045 0.7045 0.8393 0.8393 1.4515 1.4515 1.5093 1.5093 1.9199 1.9199 1.9710 1.9710 5.1096 5.1096 5.1850 5.1850 6.1844 6.1844 6.2513 6.2513 7.5339 7.5339 7.8177 7.8177 k = 0.0000 1.0704 0.6094 ( 6512 PWs) bands (ev): -21.6073 -21.6073 -21.5956 -21.5956 -11.4737 -11.4737 -11.4708 -11.4708 -6.6630 -6.6630 -6.6339 -6.6339 -4.7424 -4.7424 -4.6661 -4.6661 -4.2307 -4.2307 -4.2025 -4.2025 -4.0517 -4.0517 -3.9758 -3.9758 -1.6651 -1.6651 -1.6203 -1.6203 -1.4295 -1.4295 -1.3915 -1.3915 -0.7716 -0.7716 -0.7152 -0.7152 -0.4669 -0.4669 -0.3994 -0.3994 0.3776 0.3776 0.4941 0.4941 0.7074 0.7074 0.8296 0.8296 1.4587 1.4587 1.5090 1.5090 1.9377 1.9377 1.9832 1.9832 5.0991 5.0991 5.1669 5.1669 6.1969 6.1969 6.2556 6.2556 7.5575 7.5575 7.8199 7.8199 k = 0.0000 1.0704 0.6359 ( 6516 PWs) bands (ev): -21.6065 -21.6065 -21.5964 -21.5964 -11.4732 -11.4732 -11.4707 -11.4707 -6.6607 -6.6607 -6.6356 -6.6356 -4.7380 -4.7380 -4.6723 -4.6723 -4.2313 -4.2313 -4.2070 -4.2070 -4.0468 -4.0468 -3.9816 -3.9816 -1.6602 -1.6602 -1.6205 -1.6205 -1.4281 -1.4281 -1.3947 -1.3947 -0.7703 -0.7703 -0.7203 -0.7203 -0.4661 -0.4661 -0.4070 -0.4070 0.3896 0.3896 0.4928 0.4928 0.7118 0.7118 0.8196 0.8196 1.4655 1.4655 1.5084 1.5084 1.9541 1.9541 1.9936 1.9936 5.0904 5.0904 5.1499 5.1499 6.2084 6.2084 6.2589 6.2589 7.5820 7.5820 7.8190 7.8190 k = 0.0000 1.0704 0.6624 ( 6526 PWs) bands (ev): -21.6057 -21.6057 -21.5972 -21.5972 -11.4728 -11.4728 -11.4707 -11.4707 -6.6585 -6.6585 -6.6374 -6.6374 -4.7334 -4.7334 -4.6785 -4.6785 -4.2316 -4.2316 -4.2111 -4.2111 -4.0418 -4.0418 -3.9874 -3.9874 -1.6553 -1.6553 -1.6213 -1.6213 -1.4266 -1.4266 -1.3982 -1.3982 -0.7683 -0.7683 -0.7254 -0.7254 -0.4645 -0.4645 -0.4143 -0.4143 0.4014 0.4014 0.4896 0.4896 0.7176 0.7176 0.8096 0.8096 1.4718 1.4718 1.5074 1.5074 1.9688 1.9688 2.0023 2.0023 5.0837 5.0837 5.1342 5.1342 6.2191 6.2191 6.2612 6.2612 7.6072 7.6072 7.8144 7.8144 k = 0.0000 1.0704 0.6889 ( 6522 PWs) bands (ev): -21.6048 -21.6048 -21.5980 -21.5980 -11.4724 -11.4724 -11.4708 -11.4708 -6.6562 -6.6562 -6.6393 -6.6393 -4.7286 -4.7286 -4.6846 -4.6846 -4.2314 -4.2314 -4.2149 -4.2149 -4.0367 -4.0367 -3.9932 -3.9932 -1.6504 -1.6504 -1.6226 -1.6226 -1.4249 -1.4249 -1.4017 -1.4017 -0.7657 -0.7657 -0.7306 -0.7306 -0.4621 -0.4621 -0.4213 -0.4213 0.4129 0.4129 0.4849 0.4849 0.7246 0.7246 0.7995 0.7995 1.4777 1.4777 1.5060 1.5060 1.9818 1.9818 2.0089 2.0089 5.0790 5.0790 5.1200 5.1200 6.2286 6.2286 6.2624 6.2624 7.6329 7.6329 7.8058 7.8058 k = 0.0000 1.0704 0.7154 ( 6522 PWs) bands (ev): -21.6040 -21.6040 -21.5989 -21.5989 -11.4721 -11.4721 -11.4708 -11.4708 -6.6539 -6.6539 -6.6412 -6.6412 -4.7237 -4.7237 -4.6905 -4.6905 -4.2308 -4.2308 -4.2184 -4.2184 -4.0315 -4.0315 -3.9989 -3.9989 -1.6457 -1.6457 -1.6244 -1.6244 -1.4229 -1.4229 -1.4053 -1.4053 -0.7625 -0.7625 -0.7357 -0.7357 -0.4589 -0.4589 -0.4280 -0.4280 0.4240 0.4240 0.4789 0.4789 0.7324 0.7324 0.7894 0.7894 1.4830 1.4830 1.5042 1.5042 1.9929 1.9929 2.0133 2.0133 5.0764 5.0764 5.1076 5.1076 6.2371 6.2371 6.2625 6.2625 7.6589 7.6589 7.7931 7.7931 k = 0.0000 1.0704 0.7419 ( 6516 PWs) bands (ev): -21.6031 -21.6031 -21.5997 -21.5997 -11.4718 -11.4718 -11.4709 -11.4709 -6.6517 -6.6517 -6.6432 -6.6432 -4.7185 -4.7185 -4.6964 -4.6964 -4.2297 -4.2297 -4.2215 -4.2215 -4.0263 -4.0263 -4.0045 -4.0045 -1.6412 -1.6412 -1.6268 -1.6268 -1.4206 -1.4206 -1.4087 -1.4087 -0.7589 -0.7589 -0.7408 -0.7408 -0.4551 -0.4551 -0.4343 -0.4343 0.4347 0.4347 0.4717 0.4717 0.7410 0.7410 0.7793 0.7793 1.4878 1.4878 1.5019 1.5019 2.0019 2.0019 2.0156 2.0156 5.0760 5.0760 5.0970 5.0970 6.2444 6.2444 6.2613 6.2613 7.6848 7.6848 7.7766 7.7766 k = 0.0000 1.0704 0.7684 ( 6512 PWs) bands (ev): -21.6023 -21.6023 -21.6005 -21.6005 -11.4715 -11.4715 -11.4711 -11.4711 -6.6495 -6.6495 -6.6453 -6.6453 -4.7132 -4.7132 -4.7022 -4.7022 -4.2283 -4.2283 -4.2241 -4.2241 -4.0209 -4.0209 -4.0100 -4.0100 -1.6370 -1.6370 -1.6297 -1.6297 -1.4180 -1.4180 -1.4121 -1.4121 -0.7548 -0.7548 -0.7457 -0.7457 -0.4507 -0.4507 -0.4402 -0.4402 0.4450 0.4450 0.4636 0.4636 0.7501 0.7501 0.7694 0.7694 1.4920 1.4920 1.4991 1.4991 2.0087 2.0087 2.0156 2.0156 5.0780 5.0780 5.0885 5.0885 6.2505 6.2505 6.2590 6.2590 7.7101 7.7101 7.7567 7.7567 k = 0.0000 1.0704 0.7949 ( 6520 PWs) bands (ev): -21.6014 -21.6014 -21.6014 -21.6014 -11.4713 -11.4713 -11.4713 -11.4713 -6.6474 -6.6474 -6.6474 -6.6474 -4.7078 -4.7078 -4.7078 -4.7078 -4.2264 -4.2264 -4.2264 -4.2264 -4.0155 -4.0155 -4.0155 -4.0155 -1.6331 -1.6331 -1.6331 -1.6331 -1.4152 -1.4152 -1.4152 -1.4152 -0.7504 -0.7504 -0.7504 -0.7504 -0.4457 -0.4457 -0.4457 -0.4457 0.4546 0.4546 0.4546 0.4546 0.7596 0.7596 0.7596 0.7596 1.4958 1.4958 1.4958 1.4958 2.0133 2.0133 2.0133 2.0133 5.0821 5.0821 5.0821 5.0821 6.2553 6.2553 6.2553 6.2553 7.7343 7.7343 7.7343 7.7343 k = 0.0000 1.0704 0.7949 ( 6520 PWs) bands (ev): -21.6014 -21.6014 -21.6014 -21.6014 -11.4713 -11.4713 -11.4713 -11.4713 -6.6474 -6.6474 -6.6474 -6.6474 -4.7078 -4.7078 -4.7078 -4.7078 -4.2264 -4.2264 -4.2264 -4.2264 -4.0155 -4.0155 -4.0155 -4.0155 -1.6331 -1.6331 -1.6331 -1.6331 -1.4152 -1.4152 -1.4152 -1.4152 -0.7504 -0.7504 -0.7504 -0.7504 -0.4457 -0.4457 -0.4457 -0.4457 0.4546 0.4546 0.4546 0.4546 0.7596 0.7596 0.7596 0.7596 1.4958 1.4958 1.4958 1.4958 2.0133 2.0133 2.0133 2.0133 5.0821 5.0821 5.0821 5.0821 6.2553 6.2553 6.2553 6.2553 7.7343 7.7343 7.7343 7.7343 k = 0.0265 1.0704 0.7949 ( 6516 PWs) bands (ev): -21.6014 -21.6014 -21.6014 -21.6014 -11.4713 -11.4713 -11.4713 -11.4713 -6.6474 -6.6474 -6.6473 -6.6473 -4.7095 -4.7095 -4.7065 -4.7065 -4.2283 -4.2283 -4.2242 -4.2242 -4.0157 -4.0157 -4.0156 -4.0156 -1.6346 -1.6346 -1.6317 -1.6317 -1.4155 -1.4155 -1.4148 -1.4148 -0.7534 -0.7534 -0.7471 -0.7471 -0.4466 -0.4466 -0.4446 -0.4446 0.4537 0.4537 0.4554 0.4554 0.7583 0.7583 0.7610 0.7610 1.4931 1.4931 1.4983 1.4983 2.0099 2.0099 2.0165 2.0165 5.0786 5.0786 5.0858 5.0858 6.2549 6.2549 6.2556 6.2556 7.7335 7.7335 7.7368 7.7368 k = 0.0531 1.0704 0.7949 ( 6516 PWs) bands (ev): -21.6014 -21.6014 -21.6014 -21.6014 -11.4713 -11.4713 -11.4713 -11.4713 -6.6473 -6.6473 -6.6470 -6.6470 -4.7116 -4.7116 -4.7056 -4.7056 -4.2297 -4.2297 -4.2216 -4.2216 -4.0160 -4.0160 -4.0158 -4.0158 -1.6361 -1.6361 -1.6302 -1.6302 -1.4159 -1.4159 -1.4144 -1.4144 -0.7562 -0.7562 -0.7437 -0.7437 -0.4475 -0.4475 -0.4435 -0.4435 0.4526 0.4526 0.4561 0.4561 0.7571 0.7571 0.7624 0.7624 1.4904 1.4904 1.5007 1.5007 2.0065 2.0065 2.0196 2.0196 5.0752 5.0752 5.0896 5.0896 6.2545 6.2545 6.2559 6.2559 7.7343 7.7343 7.7409 7.7409 k = 0.0796 1.0704 0.7949 ( 6520 PWs) bands (ev): -21.6014 -21.6014 -21.6014 -21.6014 -11.4714 -11.4714 -11.4713 -11.4713 -6.6470 -6.6470 -6.6467 -6.6467 -4.7139 -4.7139 -4.7052 -4.7052 -4.2306 -4.2306 -4.2187 -4.2187 -4.0164 -4.0164 -4.0161 -4.0161 -1.6375 -1.6375 -1.6289 -1.6289 -1.4163 -1.4163 -1.4139 -1.4139 -0.7588 -0.7588 -0.7402 -0.7402 -0.4484 -0.4484 -0.4423 -0.4423 0.4515 0.4515 0.4567 0.4567 0.7561 0.7561 0.7640 0.7640 1.4875 1.4875 1.5029 1.5029 2.0030 2.0030 2.0224 2.0224 5.0722 5.0722 5.0934 5.0934 6.2539 6.2539 6.2560 6.2560 7.7366 7.7366 7.7464 7.7464 k = 0.1061 1.0704 0.7949 ( 6524 PWs) bands (ev): -21.6014 -21.6014 -21.6014 -21.6014 -11.4714 -11.4714 -11.4714 -11.4714 -6.6467 -6.6467 -6.6463 -6.6463 -4.7165 -4.7165 -4.7053 -4.7053 -4.2311 -4.2311 -4.2157 -4.2157 -4.0169 -4.0169 -4.0165 -4.0165 -1.6389 -1.6389 -1.6276 -1.6276 -1.4167 -1.4167 -1.4134 -1.4134 -0.7610 -0.7610 -0.7367 -0.7367 -0.4493 -0.4493 -0.4409 -0.4409 0.4502 0.4502 0.4573 0.4573 0.7551 0.7551 0.7656 0.7656 1.4846 1.4846 1.5050 1.5050 1.9996 1.9996 2.0249 2.0249 5.0694 5.0694 5.0971 5.0971 6.2533 6.2533 6.2562 6.2562 7.7401 7.7401 7.7531 7.7531 k = 0.1327 1.0704 0.7949 ( 6530 PWs) bands (ev): -21.6014 -21.6014 -21.6014 -21.6014 -11.4715 -11.4715 -11.4715 -11.4715 -6.6464 -6.6464 -6.6458 -6.6458 -4.7192 -4.7192 -4.7057 -4.7057 -4.2313 -4.2313 -4.2127 -4.2127 -4.0175 -4.0175 -4.0169 -4.0169 -1.6401 -1.6401 -1.6264 -1.6264 -1.4172 -1.4172 -1.4128 -1.4128 -0.7628 -0.7628 -0.7333 -0.7333 -0.4503 -0.4503 -0.4395 -0.4395 0.4488 0.4488 0.4577 0.4577 0.7543 0.7543 0.7672 0.7672 1.4817 1.4817 1.5069 1.5069 1.9963 1.9963 2.0271 2.0271 5.0669 5.0669 5.1009 5.1009 6.2527 6.2527 6.2564 6.2564 7.7445 7.7445 7.7606 7.7606 k = 0.1592 1.0704 0.7949 ( 6530 PWs) bands (ev): -21.6014 -21.6014 -21.6014 -21.6014 -11.4716 -11.4716 -11.4716 -11.4716 -6.6460 -6.6460 -6.6453 -6.6453 -4.7219 -4.7219 -4.7064 -4.7064 -4.2312 -4.2312 -4.2099 -4.2099 -4.0180 -4.0180 -4.0173 -4.0173 -1.6413 -1.6413 -1.6254 -1.6254 -1.4177 -1.4177 -1.4121 -1.4121 -0.7644 -0.7644 -0.7300 -0.7300 -0.4513 -0.4513 -0.4379 -0.4379 0.4472 0.4472 0.4581 0.4581 0.7536 0.7536 0.7689 0.7689 1.4789 1.4789 1.5086 1.5086 1.9930 1.9930 2.0290 2.0290 5.0649 5.0649 5.1044 5.1044 6.2522 6.2522 6.2566 6.2566 7.7493 7.7493 7.7684 7.7684 k = 0.1858 1.0704 0.7949 ( 6530 PWs) bands (ev): -21.6015 -21.6015 -21.6015 -21.6015 -11.4717 -11.4717 -11.4717 -11.4717 -6.6455 -6.6455 -6.6448 -6.6448 -4.7244 -4.7244 -4.7074 -4.7074 -4.2309 -4.2309 -4.2073 -4.2073 -4.0184 -4.0184 -4.0176 -4.0176 -1.6424 -1.6424 -1.6245 -1.6245 -1.4182 -1.4182 -1.4114 -1.4114 -0.7656 -0.7656 -0.7268 -0.7268 -0.4525 -0.4525 -0.4362 -0.4362 0.4455 0.4455 0.4583 0.4583 0.7531 0.7531 0.7707 0.7707 1.4761 1.4761 1.5102 1.5102 1.9900 1.9900 2.0304 2.0304 5.0633 5.0633 5.1079 5.1079 6.2518 6.2518 6.2570 6.2570 7.7540 7.7540 7.7760 7.7760 k = 0.2123 1.0704 0.7949 ( 6522 PWs) bands (ev): -21.6015 -21.6015 -21.6015 -21.6015 -11.4719 -11.4719 -11.4718 -11.4718 -6.6451 -6.6451 -6.6442 -6.6442 -4.7267 -4.7267 -4.7085 -4.7085 -4.2305 -4.2305 -4.2050 -4.2050 -4.0187 -4.0187 -4.0177 -4.0177 -1.6434 -1.6434 -1.6237 -1.6237 -1.4188 -1.4188 -1.4105 -1.4105 -0.7666 -0.7666 -0.7240 -0.7240 -0.4538 -0.4538 -0.4344 -0.4344 0.4436 0.4436 0.4585 0.4585 0.7527 0.7527 0.7725 0.7725 1.4734 1.4734 1.5118 1.5118 1.9871 1.9871 2.0314 2.0314 5.0621 5.0621 5.1112 5.1112 6.2515 6.2515 6.2575 6.2575 7.7579 7.7579 7.7829 7.7829 k = 0.2388 1.0704 0.7949 ( 6526 PWs) bands (ev): -21.6015 -21.6015 -21.6015 -21.6015 -11.4720 -11.4720 -11.4719 -11.4719 -6.6448 -6.6448 -6.6438 -6.6438 -4.7287 -4.7287 -4.7096 -4.7096 -4.2301 -4.2301 -4.2033 -4.2033 -4.0187 -4.0187 -4.0176 -4.0176 -1.6442 -1.6442 -1.6231 -1.6231 -1.4194 -1.4194 -1.4095 -1.4095 -0.7674 -0.7674 -0.7215 -0.7215 -0.4553 -0.4553 -0.4324 -0.4324 0.4415 0.4415 0.4586 0.4586 0.7525 0.7525 0.7742 0.7742 1.4709 1.4709 1.5132 1.5132 1.9844 1.9844 2.0319 2.0319 5.0616 5.0616 5.1144 5.1144 6.2513 6.2513 6.2582 6.2582 7.7604 7.7604 7.7884 7.7884 k = 0.2654 1.0704 0.7949 ( 6522 PWs) bands (ev): -21.6015 -21.6015 -21.6015 -21.6015 -11.4722 -11.4722 -11.4720 -11.4720 -6.6445 -6.6445 -6.6434 -6.6434 -4.7302 -4.7302 -4.7107 -4.7107 -4.2296 -4.2296 -4.2022 -4.2022 -4.0185 -4.0185 -4.0174 -4.0174 -1.6449 -1.6449 -1.6227 -1.6227 -1.4201 -1.4201 -1.4084 -1.4084 -0.7679 -0.7679 -0.7194 -0.7194 -0.4569 -0.4569 -0.4304 -0.4304 0.4393 0.4393 0.4586 0.4586 0.7524 0.7524 0.7760 0.7760 1.4685 1.4685 1.5146 1.5146 1.9819 1.9819 2.0320 2.0320 5.0616 5.0616 5.1174 5.1174 6.2513 6.2513 6.2590 6.2590 7.7611 7.7611 7.7921 7.7921 k = 0.2654 1.0704 0.7949 ( 6522 PWs) bands (ev): -21.6015 -21.6015 -21.6015 -21.6015 -11.4722 -11.4722 -11.4720 -11.4720 -6.6445 -6.6445 -6.6434 -6.6434 -4.7302 -4.7302 -4.7107 -4.7107 -4.2296 -4.2296 -4.2022 -4.2022 -4.0185 -4.0185 -4.0174 -4.0174 -1.6449 -1.6449 -1.6227 -1.6227 -1.4201 -1.4201 -1.4084 -1.4084 -0.7679 -0.7679 -0.7194 -0.7194 -0.4569 -0.4569 -0.4304 -0.4304 0.4393 0.4393 0.4586 0.4586 0.7524 0.7524 0.7760 0.7760 1.4685 1.4685 1.5146 1.5146 1.9819 1.9819 2.0320 2.0320 5.0616 5.0616 5.1174 5.1174 6.2513 6.2513 6.2590 6.2590 7.7611 7.7611 7.7921 7.7921 k = 0.2589 1.0443 0.7949 ( 6522 PWs) bands (ev): -21.6014 -21.6014 -21.6014 -21.6014 -11.4716 -11.4716 -11.4715 -11.4715 -6.6455 -6.6455 -6.6449 -6.6449 -4.7248 -4.7248 -4.7064 -4.7064 -4.2310 -4.2310 -4.2055 -4.2055 -4.0198 -4.0198 -4.0188 -4.0188 -1.6423 -1.6423 -1.6242 -1.6242 -1.4170 -1.4170 -1.4131 -1.4131 -0.7659 -0.7659 -0.7274 -0.7274 -0.4493 -0.4493 -0.4391 -0.4391 0.4481 0.4481 0.4575 0.4575 0.7534 0.7534 0.7689 0.7689 1.4779 1.4779 1.5086 1.5086 1.9909 1.9909 2.0316 2.0316 5.0623 5.0623 5.1070 5.1070 6.2509 6.2509 6.2552 6.2552 7.7595 7.7595 7.7782 7.7782 k = 0.2524 1.0182 0.7949 ( 6522 PWs) bands (ev): -21.6014 -21.6014 -21.6014 -21.6014 -11.4713 -11.4713 -11.4713 -11.4713 -6.6468 -6.6468 -6.6466 -6.6466 -4.7193 -4.7193 -4.7022 -4.7022 -4.2316 -4.2316 -4.2081 -4.2081 -4.0209 -4.0209 -4.0199 -4.0199 -1.6397 -1.6397 -1.6257 -1.6257 -1.4177 -1.4177 -1.4136 -1.4136 -0.7641 -0.7641 -0.7354 -0.7354 -0.4471 -0.4471 -0.4411 -0.4411 0.4536 0.4536 0.4551 0.4551 0.7559 0.7559 0.7625 0.7625 1.4868 1.4868 1.5022 1.5022 1.9980 1.9980 2.0290 2.0290 5.0675 5.0675 5.1011 5.1011 6.2502 6.2502 6.2511 6.2511 7.7517 7.7517 7.7588 7.7588 k = 0.2459 0.9921 0.7949 ( 6526 PWs) bands (ev): -21.6014 -21.6014 -21.6014 -21.6014 -11.4713 -11.4713 -11.4712 -11.4712 -6.6486 -6.6486 -6.6483 -6.6483 -4.7139 -4.7139 -4.6982 -4.6982 -4.2313 -4.2313 -4.2099 -4.2099 -4.0218 -4.0218 -4.0209 -4.0209 -1.6370 -1.6370 -1.6273 -1.6273 -1.4220 -1.4220 -1.4100 -1.4100 -0.7623 -0.7623 -0.7433 -0.7433 -0.4544 -0.4544 -0.4324 -0.4324 0.4475 0.4475 0.4599 0.4599 0.7573 0.7573 0.7599 0.7599 1.4952 1.4952 1.4953 1.4953 2.0031 2.0031 2.0242 2.0242 5.0772 5.0772 5.0998 5.0998 6.2466 6.2466 6.2491 6.2491 7.7359 7.7359 7.7390 7.7390 k = 0.2395 0.9660 0.7949 ( 6526 PWs) bands (ev): -21.6015 -21.6015 -21.6015 -21.6015 -11.4715 -11.4715 -11.4714 -11.4714 -6.6508 -6.6508 -6.6500 -6.6500 -4.7087 -4.7087 -4.6945 -4.6945 -4.2301 -4.2301 -4.2110 -4.2110 -4.0225 -4.0225 -4.0216 -4.0216 -1.6343 -1.6343 -1.6289 -1.6289 -1.4262 -1.4262 -1.4061 -1.4061 -0.7608 -0.7608 -0.7512 -0.7512 -0.4609 -0.4609 -0.4233 -0.4233 0.4393 0.4393 0.4622 0.4622 0.7534 0.7534 0.7649 0.7649 1.4879 1.4879 1.5031 1.5031 2.0060 2.0060 2.0172 2.0172 5.0915 5.0915 5.1031 5.1031 6.2417 6.2417 6.2477 6.2477 7.7110 7.7110 7.7231 7.7231 k = 0.2330 0.9399 0.7949 ( 6526 PWs) bands (ev): -21.6015 -21.6015 -21.6015 -21.6015 -11.4720 -11.4720 -11.4718 -11.4718 -6.6531 -6.6531 -6.6520 -6.6520 -4.7035 -4.7035 -4.6909 -4.6909 -4.2280 -4.2280 -4.2113 -4.2113 -4.0230 -4.0230 -4.0222 -4.0222 -1.6316 -1.6316 -1.6306 -1.6306 -1.4301 -1.4301 -1.4020 -1.4020 -0.7595 -0.7595 -0.7587 -0.7587 -0.4666 -0.4666 -0.4139 -0.4139 0.4294 0.4294 0.4619 0.4619 0.7513 0.7513 0.7708 0.7708 1.4801 1.4801 1.5105 1.5105 2.0070 2.0070 2.0081 2.0081 5.1102 5.1102 5.1110 5.1110 6.2366 6.2366 6.2460 6.2460 7.6855 7.6855 7.7053 7.7053 k = 0.2265 0.9138 0.7949 ( 6530 PWs) bands (ev): -21.6016 -21.6016 -21.6016 -21.6016 -11.4727 -11.4727 -11.4724 -11.4724 -6.6557 -6.6557 -6.6541 -6.6541 -4.6984 -4.6984 -4.6874 -4.6874 -4.2251 -4.2251 -4.2107 -4.2107 -4.0233 -4.0233 -4.0225 -4.0225 -1.6323 -1.6323 -1.6289 -1.6289 -1.4338 -1.4338 -1.3977 -1.3977 -0.7661 -0.7661 -0.7584 -0.7584 -0.4714 -0.4714 -0.4041 -0.4041 0.4181 0.4181 0.4587 0.4587 0.7509 0.7509 0.7771 0.7771 1.4718 1.4718 1.5175 1.5175 1.9970 1.9970 2.0060 2.0060 5.1233 5.1233 5.1331 5.1331 6.2312 6.2312 6.2441 6.2441 7.6602 7.6602 7.6866 7.6866 k = 0.2201 0.8877 0.7949 ( 6518 PWs) bands (ev): -21.6017 -21.6017 -21.6017 -21.6017 -11.4736 -11.4736 -11.4733 -11.4733 -6.6584 -6.6584 -6.6564 -6.6564 -4.6935 -4.6935 -4.6842 -4.6842 -4.2213 -4.2213 -4.2094 -4.2094 -4.0234 -4.0234 -4.0226 -4.0226 -1.6342 -1.6342 -1.6263 -1.6263 -1.4373 -1.4373 -1.3931 -1.3931 -0.7730 -0.7730 -0.7576 -0.7576 -0.4754 -0.4754 -0.3939 -0.3939 0.4056 0.4056 0.4527 0.4527 0.7524 0.7524 0.7837 0.7837 1.4631 1.4631 1.5240 1.5240 1.9840 1.9840 2.0031 2.0031 5.1398 5.1398 5.1600 5.1600 6.2257 6.2257 6.2419 6.2419 7.6356 7.6356 7.6678 7.6678 k = 0.2136 0.8616 0.7949 ( 6524 PWs) bands (ev): -21.6018 -21.6018 -21.6018 -21.6018 -11.4747 -11.4747 -11.4744 -11.4744 -6.6613 -6.6613 -6.6589 -6.6589 -4.6888 -4.6888 -4.6812 -4.6812 -4.2167 -4.2167 -4.2072 -4.2072 -4.0234 -4.0234 -4.0226 -4.0226 -1.6362 -1.6362 -1.6239 -1.6239 -1.4406 -1.4406 -1.3883 -1.3883 -0.7796 -0.7796 -0.7570 -0.7570 -0.4785 -0.4785 -0.3835 -0.3835 0.3922 0.3922 0.4439 0.4439 0.7555 0.7555 0.7904 0.7904 1.4541 1.4541 1.5300 1.5300 1.9693 1.9693 1.9985 1.9985 5.1601 5.1601 5.1905 5.1905 6.2202 6.2202 6.2396 6.2396 7.6120 7.6120 7.6492 7.6492 k = 0.2071 0.8355 0.7949 ( 6520 PWs) bands (ev): -21.6019 -21.6019 -21.6019 -21.6019 -11.4761 -11.4761 -11.4757 -11.4757 -6.6644 -6.6644 -6.6616 -6.6616 -4.6843 -4.6843 -4.6784 -4.6784 -4.2114 -4.2114 -4.2042 -4.2042 -4.0231 -4.0231 -4.0223 -4.0223 -1.6383 -1.6383 -1.6217 -1.6217 -1.4436 -1.4436 -1.3834 -1.3834 -0.7857 -0.7857 -0.7567 -0.7567 -0.4807 -0.4807 -0.3728 -0.3728 0.3780 0.3780 0.4327 0.4327 0.7602 0.7602 0.7970 0.7970 1.4449 1.4449 1.5356 1.5356 1.9531 1.9531 1.9924 1.9924 5.1841 5.1841 5.2242 5.2242 6.2146 6.2146 6.2371 6.2371 7.5896 7.5896 7.6312 7.6312 k = 0.2006 0.8094 0.7949 ( 6520 PWs) bands (ev): -21.6021 -21.6021 -21.6021 -21.6021 -11.4776 -11.4776 -11.4772 -11.4772 -6.6676 -6.6676 -6.6645 -6.6645 -4.6799 -4.6799 -4.6757 -4.6757 -4.2053 -4.2053 -4.2004 -4.2004 -4.0227 -4.0227 -4.0219 -4.0219 -1.6406 -1.6406 -1.6197 -1.6197 -1.4463 -1.4463 -1.3782 -1.3782 -0.7913 -0.7913 -0.7566 -0.7566 -0.4822 -0.4822 -0.3619 -0.3619 0.3632 0.3632 0.4191 0.4191 0.7661 0.7661 0.8033 0.8033 1.4355 1.4355 1.5409 1.5409 1.9357 1.9357 1.9849 1.9849 5.2112 5.2112 5.2608 5.2608 6.2090 6.2090 6.2344 6.2344 7.5687 7.5687 7.6140 7.6140 k = 0.1942 0.7833 0.7949 ( 6512 PWs) bands (ev): -21.6022 -21.6022 -21.6022 -21.6022 -11.4793 -11.4793 -11.4789 -11.4789 -6.6710 -6.6710 -6.6675 -6.6675 -4.6759 -4.6759 -4.6733 -4.6733 -4.1985 -4.1985 -4.1959 -4.1959 -4.0221 -4.0221 -4.0213 -4.0213 -1.6431 -1.6431 -1.6181 -1.6181 -1.4486 -1.4486 -1.3730 -1.3730 -0.7963 -0.7963 -0.7566 -0.7566 -0.4828 -0.4828 -0.3508 -0.3508 0.3480 0.3480 0.4036 0.4036 0.7729 0.7729 0.8092 0.8092 1.4262 1.4262 1.5459 1.5459 1.9174 1.9174 1.9762 1.9762 5.2412 5.2412 5.2997 5.2997 6.2036 6.2036 6.2317 6.2317 7.5491 7.5491 7.5977 7.5977 k = 0.1877 0.7571 0.7949 ( 6518 PWs) bands (ev): -21.6024 -21.6024 -21.6024 -21.6024 -11.4813 -11.4813 -11.4808 -11.4808 -6.6745 -6.6745 -6.6706 -6.6706 -4.6720 -4.6720 -4.6710 -4.6710 -4.1910 -4.1910 -4.1906 -4.1906 -4.0214 -4.0214 -4.0205 -4.0205 -1.6458 -1.6458 -1.6170 -1.6170 -1.4506 -1.4506 -1.3677 -1.3677 -0.8008 -0.8008 -0.7567 -0.7567 -0.4827 -0.4827 -0.3395 -0.3395 0.3325 0.3325 0.3864 0.3864 0.7802 0.7802 0.8145 0.8145 1.4171 1.4171 1.5506 1.5506 1.8983 1.8983 1.9666 1.9666 5.2735 5.2735 5.3405 5.3405 6.1984 6.1984 6.2290 6.2290 7.5309 7.5309 7.5822 7.5822 k = 0.1812 0.7310 0.7949 ( 6522 PWs) bands (ev): -21.6026 -21.6026 -21.6026 -21.6026 -11.4833 -11.4833 -11.4828 -11.4828 -6.6781 -6.6781 -6.6739 -6.6739 -4.6689 -4.6689 -4.6684 -4.6684 -4.1846 -4.1846 -4.1830 -4.1830 -4.0205 -4.0205 -4.0195 -4.0195 -1.6487 -1.6487 -1.6165 -1.6165 -1.4520 -1.4520 -1.3623 -1.3623 -0.8046 -0.8046 -0.7568 -0.7568 -0.4819 -0.4819 -0.3280 -0.3280 0.3168 0.3168 0.3679 0.3679 0.7877 0.7877 0.8193 0.8193 1.4084 1.4084 1.5551 1.5551 1.8788 1.8788 1.9562 1.9562 5.3077 5.3077 5.3826 5.3826 6.1935 6.1935 6.2262 6.2262 7.5142 7.5142 7.5677 7.5677 k = 0.1748 0.7049 0.7949 ( 6518 PWs) bands (ev): -21.6028 -21.6028 -21.6028 -21.6028 -11.4856 -11.4856 -11.4850 -11.4850 -6.6817 -6.6817 -6.6773 -6.6773 -4.6669 -4.6669 -4.6650 -4.6650 -4.1780 -4.1780 -4.1745 -4.1745 -4.0195 -4.0195 -4.0184 -4.0184 -1.6519 -1.6519 -1.6166 -1.6166 -1.4530 -1.4530 -1.3569 -1.3569 -0.8077 -0.8077 -0.7569 -0.7569 -0.4804 -0.4804 -0.3164 -0.3164 0.3010 0.3010 0.3482 0.3482 0.7950 0.7950 0.8232 0.8232 1.4002 1.4002 1.5596 1.5596 1.8592 1.8592 1.9452 1.9452 5.3434 5.3434 5.4254 5.4254 6.1890 6.1890 6.2236 6.2236 7.4988 7.4988 7.5541 7.5541 k = 0.1683 0.6788 0.7949 ( 6516 PWs) bands (ev): -21.6031 -21.6031 -21.6031 -21.6031 -11.4879 -11.4879 -11.4873 -11.4873 -6.6854 -6.6854 -6.6808 -6.6808 -4.6650 -4.6650 -4.6619 -4.6619 -4.1707 -4.1707 -4.1655 -4.1655 -4.0183 -4.0183 -4.0171 -4.0171 -1.6554 -1.6554 -1.6174 -1.6174 -1.4533 -1.4533 -1.3516 -1.3516 -0.8102 -0.8102 -0.7568 -0.7568 -0.4784 -0.4784 -0.3047 -0.3047 0.2853 0.2853 0.3277 0.3277 0.8017 0.8017 0.8264 0.8264 1.3929 1.3929 1.5639 1.5639 1.8396 1.8396 1.9338 1.9338 5.3800 5.3800 5.4685 5.4685 6.1850 6.1850 6.2210 6.2210 7.4847 7.4847 7.5414 7.5414 k = 0.1618 0.6527 0.7949 ( 6524 PWs) bands (ev): -21.6033 -21.6033 -21.6033 -21.6033 -11.4904 -11.4904 -11.4898 -11.4898 -6.6892 -6.6892 -6.6844 -6.6844 -4.6633 -4.6633 -4.6590 -4.6590 -4.1628 -4.1628 -4.1560 -4.1560 -4.0170 -4.0170 -4.0157 -4.0157 -1.6591 -1.6591 -1.6191 -1.6191 -1.4530 -1.4530 -1.3463 -1.3463 -0.8121 -0.8121 -0.7567 -0.7567 -0.4758 -0.4758 -0.2929 -0.2929 0.2697 0.2697 0.3065 0.3065 0.8076 0.8076 0.8286 0.8286 1.3867 1.3867 1.5683 1.5683 1.8203 1.8203 1.9221 1.9221 5.4172 5.4172 5.5113 5.5113 6.1818 6.1818 6.2187 6.2187 7.4718 7.4718 7.5295 7.5295 k = 0.1553 0.6266 0.7949 ( 6530 PWs) bands (ev): -21.6035 -21.6035 -21.6035 -21.6035 -11.4930 -11.4930 -11.4924 -11.4924 -6.6930 -6.6930 -6.6880 -6.6880 -4.6617 -4.6617 -4.6564 -4.6564 -4.1544 -4.1544 -4.1463 -4.1463 -4.0156 -4.0156 -4.0142 -4.0142 -1.6631 -1.6631 -1.6217 -1.6217 -1.4519 -1.4519 -1.3413 -1.3413 -0.8133 -0.8133 -0.7564 -0.7564 -0.4727 -0.4727 -0.2810 -0.2810 0.2544 0.2544 0.2849 0.2849 0.8123 0.8123 0.8297 0.8297 1.3819 1.3819 1.5728 1.5728 1.8015 1.8015 1.9103 1.9103 5.4545 5.4545 5.5532 5.5532 6.1793 6.1793 6.2168 6.2168 7.4601 7.4601 7.5185 7.5185 k = 0.1489 0.6005 0.7949 ( 6522 PWs) bands (ev): -21.6038 -21.6038 -21.6038 -21.6038 -11.4957 -11.4957 -11.4950 -11.4950 -6.6968 -6.6968 -6.6917 -6.6917 -4.6602 -4.6602 -4.6540 -4.6540 -4.1456 -4.1456 -4.1363 -4.1363 -4.0141 -4.0141 -4.0125 -4.0125 -1.6674 -1.6674 -1.6251 -1.6251 -1.4502 -1.4502 -1.3363 -1.3363 -0.8139 -0.8139 -0.7558 -0.7558 -0.4692 -0.4692 -0.2692 -0.2692 0.2395 0.2395 0.2631 0.2631 0.8155 0.8155 0.8298 0.8298 1.3785 1.3785 1.5774 1.5774 1.7834 1.7834 1.8984 1.8984 5.4915 5.4915 5.5936 5.5936 6.1780 6.1780 6.2152 6.2152 7.4496 7.4496 7.5081 7.5081 k = 0.1424 0.5744 0.7949 ( 6522 PWs) bands (ev): -21.6041 -21.6041 -21.6041 -21.6041 -11.4984 -11.4984 -11.4977 -11.4977 -6.7006 -6.7006 -6.6954 -6.6954 -4.6588 -4.6588 -4.6518 -4.6518 -4.1364 -4.1364 -4.1262 -4.1262 -4.0126 -4.0126 -4.0108 -4.0108 -1.6720 -1.6720 -1.6293 -1.6293 -1.4478 -1.4478 -1.3317 -1.3317 -0.8139 -0.8139 -0.7551 -0.7551 -0.4652 -0.4652 -0.2574 -0.2574 0.2251 0.2251 0.2413 0.2413 0.8170 0.8170 0.8287 0.8287 1.3770 1.3770 1.5822 1.5822 1.7661 1.7661 1.8867 1.8867 5.5278 5.5278 5.6321 5.6321 6.1778 6.1778 6.2142 6.2142 7.4401 7.4401 7.4985 7.4985 k = 0.1359 0.5483 0.7949 ( 6526 PWs) bands (ev): -21.6043 -21.6043 -21.6043 -21.6043 -11.5012 -11.5012 -11.5005 -11.5005 -6.7044 -6.7044 -6.6992 -6.6992 -4.6575 -4.6575 -4.6499 -4.6499 -4.1269 -4.1269 -4.1159 -4.1159 -4.0109 -4.0109 -4.0089 -4.0089 -1.6768 -1.6768 -1.6344 -1.6344 -1.4448 -1.4448 -1.3273 -1.3273 -0.8133 -0.8133 -0.7541 -0.7541 -0.4608 -0.4608 -0.2457 -0.2457 0.2113 0.2113 0.2197 0.2197 0.8167 0.8167 0.8263 0.8263 1.3773 1.3773 1.5872 1.5872 1.7497 1.7497 1.8751 1.8751 5.5628 5.5628 5.6680 5.6680 6.1791 6.1791 6.2138 6.2138 7.4316 7.4316 7.4896 7.4896 k = 0.1294 0.5222 0.7949 ( 6518 PWs) bands (ev): -21.6046 -21.6046 -21.6046 -21.6046 -11.5040 -11.5040 -11.5033 -11.5033 -6.7082 -6.7082 -6.7029 -6.7029 -4.6563 -4.6563 -4.6481 -4.6481 -4.1172 -4.1172 -4.1056 -4.1056 -4.0092 -4.0092 -4.0069 -4.0069 -1.6818 -1.6818 -1.6402 -1.6402 -1.4411 -1.4411 -1.3232 -1.3232 -0.8122 -0.8122 -0.7529 -0.7529 -0.4561 -0.4561 -0.2343 -0.2343 0.1982 0.1982 0.1986 0.1986 0.8144 0.8144 0.8226 0.8226 1.3796 1.3796 1.5926 1.5926 1.7343 1.7343 1.8637 1.8637 5.5964 5.5964 5.7009 5.7009 6.1821 6.1821 6.2143 6.2143 7.4241 7.4241 7.4812 7.4812 k = 0.1230 0.4961 0.7949 ( 6534 PWs) bands (ev): -21.6049 -21.6049 -21.6049 -21.6049 -11.5068 -11.5068 -11.5061 -11.5061 -6.7119 -6.7119 -6.7066 -6.7066 -4.6551 -4.6551 -4.6466 -4.6466 -4.1073 -4.1073 -4.0954 -4.0954 -4.0074 -4.0074 -4.0048 -4.0048 -1.6870 -1.6870 -1.6466 -1.6466 -1.4369 -1.4369 -1.3194 -1.3194 -0.8106 -0.8106 -0.7516 -0.7516 -0.4510 -0.4510 -0.2233 -0.2233 0.1781 0.1781 0.1860 0.1860 0.8102 0.8102 0.8177 0.8177 1.3838 1.3838 1.5982 1.5982 1.7200 1.7200 1.8527 1.8527 5.6281 5.6281 5.7304 5.7304 6.1870 6.1870 6.2157 6.2157 7.4174 7.4174 7.4735 7.4735 k = 0.1165 0.4700 0.7949 ( 6526 PWs) bands (ev): -21.6052 -21.6052 -21.6052 -21.6052 -11.5096 -11.5096 -11.5089 -11.5089 -6.7154 -6.7154 -6.7102 -6.7102 -4.6540 -4.6540 -4.6452 -4.6452 -4.0974 -4.0974 -4.0854 -4.0854 -4.0055 -4.0055 -4.0026 -4.0026 -1.6924 -1.6924 -1.6535 -1.6535 -1.4323 -1.4323 -1.3161 -1.3161 -0.8086 -0.8086 -0.7501 -0.7501 -0.4455 -0.4455 -0.2128 -0.2128 0.1585 0.1585 0.1747 0.1747 0.8040 0.8040 0.8114 0.8114 1.3899 1.3899 1.6041 1.6041 1.7069 1.7069 1.8421 1.8421 5.6576 5.6576 5.7562 5.7562 6.1939 6.1939 6.2182 6.2182 7.4116 7.4116 7.4662 7.4662 k = 0.1100 0.4438 0.7949 ( 6550 PWs) bands (ev): -21.6055 -21.6055 -21.6054 -21.6054 -11.5124 -11.5124 -11.5117 -11.5117 -6.7190 -6.7190 -6.7138 -6.7138 -4.6530 -4.6530 -4.6440 -4.6440 -4.0875 -4.0875 -4.0756 -4.0756 -4.0035 -4.0035 -4.0003 -4.0003 -1.6980 -1.6980 -1.6609 -1.6609 -1.4272 -1.4272 -1.3132 -1.3132 -0.8062 -0.8062 -0.7486 -0.7486 -0.4397 -0.4397 -0.2031 -0.2031 0.1401 0.1401 0.1644 0.1644 0.7960 0.7960 0.8039 0.8039 1.3977 1.3977 1.6101 1.6101 1.6951 1.6951 1.8319 1.8319 5.6846 5.6846 5.7781 5.7781 6.2027 6.2027 6.2219 6.2219 7.4064 7.4064 7.4594 7.4594 k = 0.1036 0.4177 0.7949 ( 6542 PWs) bands (ev): -21.6057 -21.6057 -21.6057 -21.6057 -11.5151 -11.5151 -11.5145 -11.5145 -6.7223 -6.7223 -6.7173 -6.7173 -4.6519 -4.6519 -4.6430 -4.6430 -4.0777 -4.0777 -4.0662 -4.0662 -4.0015 -4.0015 -3.9978 -3.9978 -1.7036 -1.7036 -1.6685 -1.6685 -1.4219 -1.4219 -1.3106 -1.3106 -0.8035 -0.8035 -0.7470 -0.7470 -0.4336 -0.4336 -0.1944 -0.1944 0.1232 0.1232 0.1551 0.1551 0.7864 0.7864 0.7952 0.7952 1.4070 1.4070 1.6162 1.6162 1.6847 1.6847 1.8221 1.8221 5.7090 5.7090 5.7961 5.7961 6.2134 6.2134 6.2269 6.2269 7.4021 7.4021 7.4531 7.4531 k = 0.0971 0.3916 0.7949 ( 6540 PWs) bands (ev): -21.6060 -21.6060 -21.6060 -21.6060 -11.5178 -11.5178 -11.5171 -11.5171 -6.7256 -6.7256 -6.7207 -6.7207 -4.6510 -4.6510 -4.6421 -4.6421 -4.0681 -4.0681 -4.0573 -4.0573 -3.9994 -3.9994 -3.9951 -3.9951 -1.7092 -1.7092 -1.6764 -1.6764 -1.4162 -1.4162 -1.3086 -1.3086 -0.8006 -0.8006 -0.7454 -0.7454 -0.4270 -0.4270 -0.1869 -0.1869 0.1082 0.1082 0.1470 0.1470 0.7755 0.7755 0.7854 0.7854 1.4176 1.4176 1.6219 1.6219 1.6759 1.6759 1.8129 1.8129 5.7306 5.7306 5.8104 5.8104 6.2257 6.2257 6.2333 6.2333 7.3983 7.3983 7.4472 7.4472 k = 0.0906 0.3655 0.7949 ( 6528 PWs) bands (ev): -21.6062 -21.6062 -21.6062 -21.6062 -11.5204 -11.5204 -11.5197 -11.5197 -6.7287 -6.7287 -6.7240 -6.7240 -4.6501 -4.6501 -4.6414 -4.6414 -4.0589 -4.0589 -4.0490 -4.0490 -3.9971 -3.9971 -3.9922 -3.9922 -1.7148 -1.7148 -1.6843 -1.6843 -1.4104 -1.4104 -1.3070 -1.3070 -0.7974 -0.7974 -0.7440 -0.7440 -0.4201 -0.4201 -0.1812 -0.1812 0.0953 0.0953 0.1400 0.1400 0.7634 0.7634 0.7747 0.7747 1.4291 1.4291 1.6266 1.6266 1.6694 1.6694 1.8041 1.8041 5.7494 5.7494 5.8214 5.8214 6.2393 6.2393 6.2409 6.2409 7.3952 7.3952 7.4417 7.4417 k = 0.0841 0.3394 0.7949 ( 6538 PWs) bands (ev): -21.6065 -21.6065 -21.6065 -21.6065 -11.5228 -11.5228 -11.5222 -11.5222 -6.7317 -6.7317 -6.7271 -6.7271 -4.6492 -4.6492 -4.6407 -4.6407 -4.0502 -4.0502 -4.0413 -4.0413 -3.9947 -3.9947 -3.9891 -3.9891 -1.7204 -1.7204 -1.6923 -1.6923 -1.4044 -1.4044 -1.3058 -1.3058 -0.7940 -0.7940 -0.7426 -0.7426 -0.4128 -0.4128 -0.1774 -0.1774 0.0850 0.0850 0.1342 0.1342 0.7505 0.7505 0.7631 0.7631 1.4414 1.4414 1.6291 1.6291 1.6660 1.6660 1.7960 1.7960 5.7655 5.7655 5.8294 5.8294 6.2497 6.2497 6.2536 6.2536 7.3926 7.3926 7.4366 7.4366 k = 0.0777 0.3133 0.7949 ( 6550 PWs) bands (ev): -21.6067 -21.6067 -21.6067 -21.6067 -11.5252 -11.5252 -11.5246 -11.5246 -6.7344 -6.7344 -6.7302 -6.7302 -4.6483 -4.6483 -4.6403 -4.6403 -4.0420 -4.0420 -4.0345 -4.0345 -3.9921 -3.9921 -3.9857 -3.9857 -1.7258 -1.7258 -1.7001 -1.7001 -1.3983 -1.3983 -1.3052 -1.3052 -0.7905 -0.7905 -0.7415 -0.7415 -0.4051 -0.4051 -0.1760 -0.1760 0.0774 0.0774 0.1294 0.1294 0.7371 0.7371 0.7508 0.7508 1.4541 1.4541 1.6286 1.6286 1.6667 1.6667 1.7883 1.7883 5.7789 5.7789 5.8349 5.8349 6.2595 6.2595 6.2682 6.2682 7.3905 7.3905 7.4317 7.4317 k = 0.0712 0.2872 0.7949 ( 6550 PWs) bands (ev): -21.6069 -21.6069 -21.6069 -21.6069 -11.5274 -11.5274 -11.5269 -11.5269 -6.7370 -6.7370 -6.7330 -6.7330 -4.6475 -4.6475 -4.6399 -4.6399 -4.0346 -4.0346 -4.0284 -4.0284 -3.9892 -3.9892 -3.9821 -3.9821 -1.7310 -1.7310 -1.7077 -1.7077 -1.3922 -1.3922 -1.3050 -1.3050 -0.7870 -0.7870 -0.7406 -0.7406 -0.3970 -0.3970 -0.1770 -0.1770 0.0728 0.0728 0.1257 0.1257 0.7234 0.7234 0.7381 0.7381 1.4669 1.4669 1.6255 1.6255 1.6706 1.6706 1.7813 1.7813 5.7898 5.7898 5.8384 5.8384 6.2701 6.2701 6.2827 6.2827 7.3889 7.3889 7.4272 7.4272 k = 0.0647 0.2611 0.7949 ( 6554 PWs) bands (ev): -21.6071 -21.6071 -21.6071 -21.6071 -11.5295 -11.5295 -11.5290 -11.5290 -6.7394 -6.7394 -6.7357 -6.7357 -4.6468 -4.6468 -4.6396 -4.6396 -4.0280 -4.0280 -4.0233 -4.0233 -3.9860 -3.9860 -3.9783 -3.9783 -1.7360 -1.7360 -1.7150 -1.7150 -1.3861 -1.3861 -1.3053 -1.3053 -0.7834 -0.7834 -0.7401 -0.7401 -0.3885 -0.3885 -0.1804 -0.1804 0.0709 0.0709 0.1229 0.1229 0.7097 0.7097 0.7251 0.7251 1.4797 1.4797 1.6212 1.6212 1.6763 1.6763 1.7748 1.7748 5.7986 5.7986 5.8402 5.8402 6.2812 6.2812 6.2967 6.2967 7.3877 7.3877 7.4229 7.4229 k = 0.0583 0.2350 0.7949 ( 6552 PWs) bands (ev): -21.6073 -21.6073 -21.6073 -21.6073 -11.5315 -11.5315 -11.5310 -11.5310 -6.7416 -6.7416 -6.7381 -6.7381 -4.6460 -4.6460 -4.6394 -4.6394 -4.0224 -4.0224 -4.0189 -4.0189 -3.9825 -3.9825 -3.9744 -3.9744 -1.7406 -1.7406 -1.7220 -1.7220 -1.3800 -1.3800 -1.3061 -1.3061 -0.7798 -0.7798 -0.7398 -0.7398 -0.3796 -0.3796 -0.1861 -0.1861 0.0716 0.0716 0.1210 0.1210 0.6964 0.6964 0.7120 0.7120 1.4922 1.4922 1.6165 1.6165 1.6828 1.6828 1.7689 1.7689 5.8056 5.8056 5.8409 5.8409 6.2925 6.2925 6.3099 6.3099 7.3869 7.3869 7.4190 7.4190 k = 0.0518 0.2089 0.7949 ( 6552 PWs) bands (ev): -21.6075 -21.6075 -21.6075 -21.6075 -11.5332 -11.5332 -11.5328 -11.5328 -6.7435 -6.7435 -6.7404 -6.7404 -4.6453 -4.6453 -4.6393 -4.6393 -4.0177 -4.0177 -4.0153 -4.0153 -3.9787 -3.9787 -3.9705 -3.9705 -1.7448 -1.7448 -1.7285 -1.7285 -1.3739 -1.3739 -1.3073 -1.3073 -0.7762 -0.7762 -0.7398 -0.7398 -0.3703 -0.3703 -0.1937 -0.1937 0.0743 0.0743 0.1198 0.1198 0.6836 0.6836 0.6991 0.6991 1.5042 1.5042 1.6117 1.6117 1.6895 1.6895 1.7636 1.7636 5.8110 5.8110 5.8406 5.8406 6.3038 6.3038 6.3219 6.3219 7.3865 7.3865 7.4153 7.4153 k = 0.0453 0.1828 0.7949 ( 6548 PWs) bands (ev): -21.6077 -21.6077 -21.6077 -21.6077 -11.5348 -11.5348 -11.5344 -11.5344 -6.7452 -6.7452 -6.7425 -6.7425 -4.6446 -4.6446 -4.6393 -4.6393 -4.0139 -4.0139 -4.0124 -4.0124 -3.9747 -3.9747 -3.9668 -3.9668 -1.7486 -1.7486 -1.7345 -1.7345 -1.3680 -1.3680 -1.3089 -1.3089 -0.7726 -0.7726 -0.7401 -0.7401 -0.3607 -0.3607 -0.2028 -0.2028 0.0785 0.0785 0.1192 0.1192 0.6718 0.6718 0.6867 0.6867 1.5156 1.5156 1.6071 1.6071 1.6962 1.6962 1.7587 1.7587 5.8151 5.8151 5.8396 5.8396 6.3146 6.3146 6.3327 6.3327 7.3865 7.3865 7.4118 7.4118 k = 0.0388 0.1567 0.7949 ( 6556 PWs) bands (ev): -21.6078 -21.6078 -21.6078 -21.6078 -11.5362 -11.5362 -11.5359 -11.5359 -6.7467 -6.7467 -6.7443 -6.7443 -4.6440 -4.6440 -4.6393 -4.6393 -4.0110 -4.0110 -4.0100 -4.0100 -3.9708 -3.9708 -3.9635 -3.9635 -1.7519 -1.7519 -1.7400 -1.7400 -1.3622 -1.3622 -1.3110 -1.3110 -0.7692 -0.7692 -0.7408 -0.7408 -0.3506 -0.3506 -0.2131 -0.2131 0.0836 0.0836 0.1189 0.1189 0.6610 0.6610 0.6749 0.6749 1.5263 1.5263 1.6025 1.6025 1.7026 1.7026 1.7543 1.7543 5.8183 5.8183 5.8382 5.8382 6.3249 6.3249 6.3420 6.3420 7.3867 7.3867 7.4085 7.4085 k = 0.0324 0.1305 0.7949 ( 6548 PWs) bands (ev): -21.6079 -21.6079 -21.6079 -21.6079 -11.5374 -11.5374 -11.5371 -11.5371 -6.7479 -6.7479 -6.7459 -6.7459 -4.6434 -4.6434 -4.6394 -4.6394 -4.0087 -4.0087 -4.0081 -4.0081 -3.9670 -3.9670 -3.9605 -3.9605 -1.7546 -1.7546 -1.7448 -1.7448 -1.3565 -1.3565 -1.3135 -1.3135 -0.7658 -0.7658 -0.7418 -0.7418 -0.3402 -0.3402 -0.2241 -0.2241 0.0893 0.0893 0.1187 0.1187 0.6517 0.6517 0.6641 0.6641 1.5361 1.5361 1.5979 1.5979 1.7087 1.7087 1.7503 1.7503 5.8207 5.8207 5.8366 5.8366 6.3343 6.3343 6.3496 6.3496 7.3872 7.3872 7.4055 7.4055 k = 0.0259 0.1044 0.7949 ( 6536 PWs) bands (ev): -21.6080 -21.6080 -21.6080 -21.6080 -11.5383 -11.5383 -11.5381 -11.5381 -6.7489 -6.7489 -6.7473 -6.7473 -4.6428 -4.6428 -4.6396 -4.6396 -4.0070 -4.0070 -4.0066 -4.0066 -3.9636 -3.9636 -3.9582 -3.9582 -1.7568 -1.7568 -1.7490 -1.7490 -1.3510 -1.3510 -1.3164 -1.3164 -0.7625 -0.7625 -0.7431 -0.7431 -0.3294 -0.3294 -0.2357 -0.2357 0.0950 0.0950 0.1185 0.1185 0.6440 0.6440 0.6545 0.6545 1.5451 1.5451 1.5934 1.5934 1.7143 1.7143 1.7466 1.7466 5.8226 5.8226 5.8348 5.8348 6.3427 6.3427 6.3557 6.3557 7.3880 7.3880 7.4027 7.4027 k = 0.0194 0.0783 0.7949 ( 6546 PWs) bands (ev): -21.6081 -21.6081 -21.6081 -21.6081 -11.5391 -11.5391 -11.5389 -11.5389 -6.7496 -6.7496 -6.7484 -6.7484 -4.6423 -4.6423 -4.6398 -4.6398 -4.0057 -4.0057 -4.0055 -4.0055 -3.9606 -3.9606 -3.9564 -3.9564 -1.7583 -1.7583 -1.7525 -1.7525 -1.3458 -1.3458 -1.3196 -1.3196 -0.7594 -0.7594 -0.7447 -0.7447 -0.3184 -0.3184 -0.2476 -0.2476 0.1005 0.1005 0.1180 0.1180 0.6381 0.6381 0.6464 0.6464 1.5533 1.5533 1.5888 1.5888 1.7195 1.7195 1.7430 1.7430 5.8242 5.8242 5.8331 5.8331 6.3498 6.3498 6.3599 6.3599 7.3891 7.3891 7.4001 7.4001 k = 0.0129 0.0522 0.7949 ( 6550 PWs) bands (ev): -21.6081 -21.6081 -21.6081 -21.6081 -11.5396 -11.5396 -11.5395 -11.5395 -6.7501 -6.7501 -6.7492 -6.7492 -4.6418 -4.6418 -4.6401 -4.6401 -4.0048 -4.0048 -4.0048 -4.0048 -3.9582 -3.9582 -3.9554 -3.9554 -1.7591 -1.7591 -1.7552 -1.7552 -1.3407 -1.3407 -1.3232 -1.3232 -0.7565 -0.7565 -0.7466 -0.7466 -0.3070 -0.3070 -0.2596 -0.2596 0.1054 0.1054 0.1170 0.1170 0.6342 0.6342 0.6399 0.6399 1.5607 1.5607 1.5840 1.5840 1.7242 1.7242 1.7396 1.7396 5.8256 5.8256 5.8314 5.8314 6.3555 6.3555 6.3625 6.3625 7.3904 7.3904 7.3978 7.3978 k = 0.0065 0.0261 0.7949 ( 6558 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5399 -11.5399 -11.5399 -11.5399 -6.7502 -6.7502 -6.7498 -6.7498 -4.6413 -4.6413 -4.6405 -4.6405 -4.0043 -4.0043 -4.0043 -4.0043 -3.9564 -3.9564 -3.9550 -3.9550 -1.7592 -1.7592 -1.7573 -1.7573 -1.3359 -1.3359 -1.3271 -1.3271 -0.7537 -0.7537 -0.7487 -0.7487 -0.2954 -0.2954 -0.2716 -0.2716 0.1095 0.1095 0.1153 0.1153 0.6325 0.6325 0.6354 0.6354 1.5673 1.5673 1.5789 1.5789 1.7285 1.7285 1.7361 1.7361 5.8269 5.8269 5.8298 5.8298 6.3597 6.3597 6.3632 6.3632 7.3919 7.3919 7.3956 7.3956 k = 0.0000 0.0000 0.7949 ( 6558 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5400 -11.5400 -11.5400 -11.5400 -6.7502 -6.7502 -6.7502 -6.7502 -4.6409 -4.6409 -4.6409 -4.6409 -4.0042 -4.0042 -4.0042 -4.0042 -3.9554 -3.9554 -3.9554 -3.9554 -1.7586 -1.7586 -1.7586 -1.7586 -1.3314 -1.3314 -1.3314 -1.3314 -0.7511 -0.7511 -0.7511 -0.7511 -0.2836 -0.2836 -0.2836 -0.2836 0.1128 0.1128 0.1128 0.1128 0.6328 0.6328 0.6328 0.6328 1.5734 1.5734 1.5734 1.5734 1.7324 1.7324 1.7324 1.7324 5.8283 5.8283 5.8283 5.8283 6.3623 6.3623 6.3623 6.3623 7.3936 7.3936 7.3936 7.3936 k = 0.0000 0.0000 0.7949 ( 6558 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5400 -11.5400 -11.5400 -11.5400 -6.7502 -6.7502 -6.7502 -6.7502 -4.6409 -4.6409 -4.6409 -4.6409 -4.0042 -4.0042 -4.0042 -4.0042 -3.9554 -3.9554 -3.9554 -3.9554 -1.7586 -1.7586 -1.7586 -1.7586 -1.3314 -1.3314 -1.3314 -1.3314 -0.7511 -0.7511 -0.7511 -0.7511 -0.2836 -0.2836 -0.2836 -0.2836 0.1128 0.1128 0.1128 0.1128 0.6328 0.6328 0.6328 0.6328 1.5734 1.5734 1.5734 1.5734 1.7324 1.7324 1.7324 1.7324 5.8283 5.8283 5.8283 5.8283 6.3623 6.3623 6.3623 6.3623 7.3936 7.3936 7.3936 7.3936 k = 0.0000 0.0000 0.7684 ( 6550 PWs) bands (ev): -21.6091 -21.6091 -21.6073 -21.6073 -11.5424 -11.5424 -11.5376 -11.5376 -6.7509 -6.7509 -6.7492 -6.7492 -4.6444 -4.6444 -4.6372 -4.6372 -4.0088 -4.0088 -4.0002 -4.0002 -3.9571 -3.9571 -3.9535 -3.9535 -1.7671 -1.7671 -1.7493 -1.7493 -1.3342 -1.3342 -1.3287 -1.3287 -0.7532 -0.7532 -0.7499 -0.7499 -0.2994 -0.2994 -0.2698 -0.2698 0.0756 0.0756 0.1506 0.1506 0.6167 0.6167 0.6509 0.6509 1.5652 1.5652 1.5810 1.5810 1.7303 1.7303 1.7372 1.7372 5.8007 5.8007 5.8564 5.8564 6.3608 6.3608 6.3641 6.3641 7.3784 7.3784 7.4097 7.4097 k = 0.0000 0.0000 0.7419 ( 6556 PWs) bands (ev): -21.6100 -21.6100 -21.6064 -21.6064 -11.5448 -11.5448 -11.5352 -11.5352 -6.7515 -6.7515 -6.7482 -6.7482 -4.6479 -4.6479 -4.6333 -4.6333 -4.0140 -4.0140 -3.9971 -3.9971 -3.9586 -3.9586 -3.9515 -3.9515 -1.7747 -1.7747 -1.7392 -1.7392 -1.3371 -1.3371 -1.3262 -1.3262 -0.7564 -0.7564 -0.7498 -0.7498 -0.3170 -0.3170 -0.2580 -0.2580 0.0393 0.0393 0.1887 0.1887 0.6026 0.6026 0.6706 0.6706 1.5570 1.5570 1.5875 1.5875 1.7306 1.7306 1.7449 1.7449 5.7735 5.7735 5.8847 5.8847 6.3596 6.3596 6.3661 6.3661 7.3640 7.3640 7.4267 7.4267 k = 0.0000 0.0000 0.7154 ( 6564 PWs) bands (ev): -21.6109 -21.6109 -21.6056 -21.6056 -11.5473 -11.5473 -11.5329 -11.5329 -6.7520 -6.7520 -6.7469 -6.7469 -4.6512 -4.6512 -4.6294 -4.6294 -4.0198 -4.0198 -3.9947 -3.9947 -3.9598 -3.9598 -3.9495 -3.9495 -1.7813 -1.7813 -1.7285 -1.7285 -1.3401 -1.3401 -1.3238 -1.3238 -0.7607 -0.7607 -0.7505 -0.7505 -0.3363 -0.3363 -0.2481 -0.2481 0.0041 0.0041 0.2268 0.2268 0.5907 0.5907 0.6917 0.6917 1.5491 1.5491 1.5924 1.5924 1.7330 1.7330 1.7559 1.7559 5.7469 5.7469 5.9132 5.9132 6.3587 6.3587 6.3685 6.3685 7.3503 7.3503 7.4445 7.4445 k = 0.0000 0.0000 0.6889 ( 6560 PWs) bands (ev): -21.6117 -21.6117 -21.6047 -21.6047 -11.5497 -11.5497 -11.5306 -11.5306 -6.7523 -6.7523 -6.7456 -6.7456 -4.6543 -4.6543 -4.6253 -4.6253 -4.0260 -4.0260 -3.9933 -3.9933 -3.9608 -3.9608 -3.9475 -3.9475 -1.7869 -1.7869 -1.7172 -1.7172 -1.3430 -1.3430 -1.3217 -1.3217 -0.7661 -0.7661 -0.7520 -0.7520 -0.3572 -0.3572 -0.2401 -0.2401 -0.0296 -0.0296 0.2646 0.2646 0.5810 0.5810 0.7138 0.7138 1.5418 1.5418 1.5953 1.5953 1.7371 1.7371 1.7709 1.7709 5.7210 5.7210 5.9418 5.9418 6.3581 6.3581 6.3711 6.3711 7.3374 7.3374 7.4633 7.4633 k = 0.0000 0.0000 0.6624 ( 6560 PWs) bands (ev): -21.6126 -21.6126 -21.6038 -21.6038 -11.5521 -11.5521 -11.5283 -11.5283 -6.7524 -6.7524 -6.7441 -6.7441 -4.6573 -4.6573 -4.6211 -4.6211 -4.0327 -4.0327 -3.9927 -3.9927 -3.9614 -3.9614 -3.9455 -3.9455 -1.7914 -1.7914 -1.7054 -1.7054 -1.3460 -1.3460 -1.3199 -1.3199 -0.7727 -0.7727 -0.7544 -0.7544 -0.3794 -0.3794 -0.2340 -0.2340 -0.0618 -0.0618 0.3019 0.3019 0.5738 0.5738 0.7366 0.7366 1.5351 1.5351 1.5963 1.5963 1.7424 1.7424 1.7899 1.7899 5.6959 5.6959 5.9704 5.9704 6.3577 6.3577 6.3741 6.3741 7.3253 7.3253 7.4830 7.4830 k = 0.0000 0.0000 0.6359 ( 6554 PWs) bands (ev): -21.6135 -21.6135 -21.6030 -21.6030 -11.5545 -11.5545 -11.5261 -11.5261 -6.7523 -6.7523 -6.7425 -6.7425 -4.6602 -4.6602 -4.6168 -4.6168 -4.0397 -4.0397 -3.9928 -3.9928 -3.9618 -3.9618 -3.9435 -3.9435 -1.7948 -1.7948 -1.6933 -1.6933 -1.3489 -1.3489 -1.3183 -1.3183 -0.7805 -0.7805 -0.7574 -0.7574 -0.4024 -0.4024 -0.2297 -0.2297 -0.0922 -0.0922 0.3385 0.3385 0.5688 0.5688 0.7597 0.7597 1.5291 1.5291 1.5957 1.5957 1.7485 1.7485 1.8131 1.8131 5.6717 5.6717 5.9988 5.9988 6.3575 6.3575 6.3774 6.3774 7.3138 7.3138 7.5038 7.5038 k = 0.0000 0.0000 0.6094 ( 6538 PWs) bands (ev): -21.6143 -21.6143 -21.6022 -21.6022 -11.5569 -11.5569 -11.5240 -11.5240 -6.7521 -6.7521 -6.7408 -6.7408 -4.6629 -4.6629 -4.6124 -4.6124 -4.0471 -4.0471 -3.9936 -3.9936 -3.9621 -3.9621 -3.9415 -3.9415 -1.7972 -1.7972 -1.6810 -1.6810 -1.3517 -1.3517 -1.3171 -1.3171 -0.7895 -0.7895 -0.7612 -0.7612 -0.4259 -0.4259 -0.2273 -0.2273 -0.1207 -0.1207 0.3741 0.3741 0.5662 0.5662 0.7829 0.7829 1.5238 1.5238 1.5936 1.5936 1.7550 1.7550 1.8402 1.8402 5.6486 5.6486 6.0270 6.0270 6.3576 6.3576 6.3811 6.3811 7.3031 7.3031 7.5256 7.5256 k = 0.0000 0.0000 0.5829 ( 6534 PWs) bands (ev): -21.6151 -21.6151 -21.6014 -21.6014 -11.5593 -11.5593 -11.5219 -11.5219 -6.7518 -6.7518 -6.7390 -6.7390 -4.6654 -4.6654 -4.6080 -4.6080 -4.0548 -4.0548 -3.9950 -3.9950 -3.9624 -3.9624 -3.9396 -3.9396 -1.7985 -1.7985 -1.6686 -1.6686 -1.3544 -1.3544 -1.3162 -1.3162 -0.7997 -0.7997 -0.7655 -0.7655 -0.4494 -0.4494 -0.2269 -0.2269 -0.1472 -0.1472 0.4085 0.4085 0.5659 0.5659 0.8057 0.8057 1.5193 1.5193 1.5906 1.5906 1.7619 1.7619 1.8710 1.8710 5.6265 5.6265 6.0548 6.0548 6.3579 6.3579 6.3851 6.3851 7.2930 7.2930 7.5484 7.5484 k = 0.0000 0.0000 0.5564 ( 6524 PWs) bands (ev): -21.6159 -21.6159 -21.6006 -21.6006 -11.5616 -11.5616 -11.5198 -11.5198 -6.7513 -6.7513 -6.7371 -6.7371 -4.6679 -4.6679 -4.6034 -4.6034 -4.0626 -4.0626 -3.9967 -3.9967 -3.9627 -3.9627 -3.9377 -3.9377 -1.7987 -1.7987 -1.6564 -1.6564 -1.3571 -1.3571 -1.3156 -1.3156 -0.8111 -0.8111 -0.7704 -0.7704 -0.4726 -0.4726 -0.2290 -0.2290 -0.1709 -0.1709 0.4414 0.4414 0.5680 0.5680 0.8279 0.8279 1.5154 1.5154 1.5869 1.5869 1.7689 1.7689 1.9049 1.9049 5.6056 5.6056 6.0821 6.0821 6.3584 6.3584 6.3895 6.3895 7.2835 7.2835 7.5724 7.5724 k = 0.0000 0.0000 0.5299 ( 6522 PWs) bands (ev): -21.6167 -21.6167 -21.5998 -21.5998 -11.5638 -11.5638 -11.5179 -11.5179 -6.7507 -6.7507 -6.7351 -6.7351 -4.6701 -4.6701 -4.5988 -4.5988 -4.0707 -4.0707 -3.9986 -3.9986 -3.9633 -3.9633 -3.9359 -3.9359 -1.7978 -1.7978 -1.6444 -1.6444 -1.3596 -1.3596 -1.3153 -1.3153 -0.8235 -0.8235 -0.7757 -0.7757 -0.4949 -0.4949 -0.2351 -0.2351 -0.1905 -0.1905 0.4723 0.4723 0.5728 0.5728 0.8492 0.8492 1.5120 1.5120 1.5826 1.5826 1.7761 1.7761 1.9416 1.9416 5.5859 5.5859 6.1088 6.1088 6.3591 6.3591 6.3943 6.3943 7.2746 7.2746 7.5976 7.5976 k = 0.0000 0.0000 0.5034 ( 6516 PWs) bands (ev): -21.6175 -21.6175 -21.5991 -21.5991 -11.5661 -11.5661 -11.5160 -11.5160 -6.7500 -6.7500 -6.7331 -6.7331 -4.6722 -4.6722 -4.5942 -4.5942 -4.0788 -4.0788 -4.0008 -4.0008 -3.9641 -3.9641 -3.9342 -3.9342 -1.7958 -1.7958 -1.6328 -1.6328 -1.3621 -1.3621 -1.3153 -1.3153 -0.8367 -0.8367 -0.7815 -0.7815 -0.5160 -0.5160 -0.2469 -0.2469 -0.2041 -0.2041 0.5003 0.5003 0.5809 0.5809 0.8695 0.8695 1.5092 1.5092 1.5781 1.5781 1.7832 1.7832 1.9807 1.9807 5.5677 5.5677 6.1347 6.1347 6.3599 6.3599 6.3995 6.3995 7.2663 7.2663 7.6241 7.6241 k = 0.0000 0.0000 0.4770 ( 6524 PWs) bands (ev): -21.6183 -21.6183 -21.5984 -21.5984 -11.5682 -11.5682 -11.5142 -11.5142 -6.7492 -6.7492 -6.7311 -6.7311 -4.6742 -4.6742 -4.5896 -4.5896 -4.0871 -4.0871 -4.0031 -4.0031 -3.9651 -3.9651 -3.9325 -3.9325 -1.7929 -1.7929 -1.6218 -1.6218 -1.3646 -1.3646 -1.3156 -1.3156 -0.8506 -0.8506 -0.7876 -0.7876 -0.5358 -0.5358 -0.2638 -0.2638 -0.2123 -0.2123 0.5242 0.5242 0.5934 0.5934 0.8885 0.8885 1.5069 1.5069 1.5734 1.5734 1.7903 1.7903 2.0218 2.0218 5.5509 5.5509 6.1597 6.1597 6.3609 6.3609 6.4051 6.4051 7.2586 7.2586 7.6518 7.6518 k = 0.0000 0.0000 0.4505 ( 6530 PWs) bands (ev): -21.6190 -21.6190 -21.5977 -21.5977 -11.5703 -11.5703 -11.5124 -11.5124 -6.7483 -6.7483 -6.7290 -6.7290 -4.6760 -4.6760 -4.5849 -4.5849 -4.0953 -4.0953 -4.0054 -4.0054 -3.9664 -3.9664 -3.9309 -3.9309 -1.7890 -1.7890 -1.6116 -1.6116 -1.3671 -1.3671 -1.3161 -1.3161 -0.8649 -0.8649 -0.7940 -0.7940 -0.5541 -0.5541 -0.2829 -0.2829 -0.2178 -0.2178 0.5431 0.5431 0.6110 0.6110 0.9062 0.9062 1.5048 1.5048 1.5686 1.5686 1.7973 1.7973 2.0643 2.0643 5.5356 5.5356 6.1837 6.1837 6.3620 6.3620 6.4112 6.4112 7.2515 7.2515 7.6808 7.6808 k = 0.0000 0.0000 0.4240 ( 6538 PWs) bands (ev): -21.6197 -21.6197 -21.5970 -21.5970 -11.5723 -11.5723 -11.5108 -11.5108 -6.7473 -6.7473 -6.7270 -6.7270 -4.6777 -4.6777 -4.5803 -4.5803 -4.1036 -4.1036 -4.0077 -4.0077 -3.9679 -3.9679 -3.9293 -3.9293 -1.7841 -1.7841 -1.6022 -1.6022 -1.3698 -1.3698 -1.3166 -1.3166 -0.8791 -0.8791 -0.8006 -0.8006 -0.5707 -0.5707 -0.3026 -0.3026 -0.2224 -0.2224 0.5574 0.5574 0.6328 0.6328 0.9224 0.9224 1.5031 1.5031 1.5638 1.5638 1.8042 1.8042 2.1078 2.1078 5.5219 5.5219 6.2064 6.2064 6.3632 6.3632 6.4179 6.4179 7.2449 7.2449 7.7113 7.7113 k = 0.0000 0.0000 0.3975 ( 6534 PWs) bands (ev): -21.6203 -21.6203 -21.5964 -21.5964 -11.5743 -11.5743 -11.5092 -11.5092 -6.7463 -6.7463 -6.7250 -6.7250 -4.6792 -4.6792 -4.5757 -4.5757 -4.1117 -4.1117 -4.0101 -4.0101 -3.9695 -3.9695 -3.9279 -3.9279 -1.7784 -1.7784 -1.5939 -1.5939 -1.3727 -1.3727 -1.3172 -1.3172 -0.8930 -0.8930 -0.8074 -0.8074 -0.5857 -0.5857 -0.3221 -0.3221 -0.2267 -0.2267 0.5689 0.5689 0.6570 0.6570 0.9373 0.9373 1.5015 1.5015 1.5592 1.5592 1.8109 1.8109 2.1518 2.1518 5.5097 5.5097 6.2277 6.2277 6.3646 6.3646 6.4251 6.4251 7.2388 7.2388 7.7432 7.7432 k = 0.0000 0.0000 0.3710 ( 6534 PWs) bands (ev): -21.6210 -21.6210 -21.5958 -21.5958 -11.5761 -11.5761 -11.5077 -11.5077 -6.7452 -6.7452 -6.7230 -6.7230 -4.6806 -4.6806 -4.5712 -4.5712 -4.1197 -4.1197 -4.0124 -4.0124 -3.9714 -3.9714 -3.9266 -3.9266 -1.7719 -1.7719 -1.5868 -1.5868 -1.3758 -1.3758 -1.3178 -1.3178 -0.9062 -0.9062 -0.8143 -0.8143 -0.5993 -0.5993 -0.3411 -0.3411 -0.2308 -0.2308 0.5790 0.5790 0.6820 0.6820 0.9507 0.9507 1.5000 1.5000 1.5547 1.5547 1.8174 1.8174 2.1958 2.1958 5.4992 5.4992 6.2474 6.2474 6.3659 6.3659 6.4329 6.4329 7.2331 7.2331 7.7766 7.7766 k = 0.0000 0.0000 0.3445 ( 6534 PWs) bands (ev): -21.6216 -21.6216 -21.5953 -21.5953 -11.5779 -11.5779 -11.5063 -11.5063 -6.7442 -6.7442 -6.7211 -6.7211 -4.6819 -4.6819 -4.5667 -4.5667 -4.1275 -4.1275 -4.0146 -4.0146 -3.9733 -3.9733 -3.9253 -3.9253 -1.7647 -1.7647 -1.5809 -1.5809 -1.3793 -1.3793 -1.3183 -1.3183 -0.9183 -0.9183 -0.8212 -0.8212 -0.6113 -0.6113 -0.3594 -0.3594 -0.2348 -0.2348 0.5881 0.5881 0.7069 0.7069 0.9626 0.9626 1.4985 1.4985 1.5506 1.5506 1.8237 1.8237 2.2392 2.2392 5.4903 5.4903 6.2655 6.2655 6.3673 6.3673 6.4412 6.4412 7.2280 7.2280 7.8115 7.8115 k = 0.0000 0.0000 0.3180 ( 6540 PWs) bands (ev): -21.6221 -21.6221 -21.5948 -21.5948 -11.5795 -11.5795 -11.5050 -11.5050 -6.7431 -6.7431 -6.7192 -6.7192 -4.6830 -4.6830 -4.5624 -4.5624 -4.1350 -4.1350 -4.0168 -4.0168 -3.9753 -3.9753 -3.9241 -3.9241 -1.7568 -1.7568 -1.5764 -1.5764 -1.3832 -1.3832 -1.3187 -1.3187 -0.9290 -0.9290 -0.8280 -0.8280 -0.6220 -0.6220 -0.3770 -0.3770 -0.2388 -0.2388 0.5968 0.5968 0.7313 0.7313 0.9732 0.9732 1.4970 1.4970 1.5467 1.5467 1.8296 1.8296 2.2816 2.2816 5.4829 5.4829 6.2819 6.2819 6.3687 6.3687 6.4501 6.4501 7.2233 7.2233 7.8480 7.8480 k = 0.0000 0.0000 0.2915 ( 6544 PWs) bands (ev): -21.6227 -21.6227 -21.5943 -21.5943 -11.5811 -11.5811 -11.5038 -11.5038 -6.7420 -6.7420 -6.7174 -6.7174 -4.6841 -4.6841 -4.5582 -4.5582 -4.1422 -4.1422 -4.0189 -4.0189 -3.9774 -3.9774 -3.9231 -3.9231 -1.7483 -1.7483 -1.5734 -1.5734 -1.3873 -1.3873 -1.3189 -1.3189 -0.9383 -0.9383 -0.8348 -0.8348 -0.6315 -0.6315 -0.3937 -0.3937 -0.2426 -0.2426 0.6049 0.6049 0.7548 0.7548 0.9824 0.9824 1.4954 1.4954 1.5433 1.5433 1.8352 1.8352 2.3225 2.3225 5.4770 5.4770 6.2964 6.2964 6.3701 6.3701 6.4594 6.4594 7.2190 7.2190 7.8859 7.8859 k = 0.0000 0.0000 0.2650 ( 6538 PWs) bands (ev): -21.6231 -21.6231 -21.5938 -21.5938 -11.5825 -11.5825 -11.5027 -11.5027 -6.7409 -6.7409 -6.7157 -6.7157 -4.6850 -4.6850 -4.5542 -4.5542 -4.1491 -4.1491 -4.0208 -4.0208 -3.9794 -3.9794 -3.9221 -3.9221 -1.7392 -1.7392 -1.5719 -1.5719 -1.3916 -1.3916 -1.3191 -1.3191 -0.9459 -0.9459 -0.8415 -0.8415 -0.6398 -0.6398 -0.4096 -0.4096 -0.2462 -0.2462 0.6127 0.6127 0.7772 0.7772 0.9903 0.9903 1.4936 1.4936 1.5403 1.5403 1.8404 1.8404 2.3614 2.3614 5.4725 5.4725 6.3093 6.3093 6.3714 6.3714 6.4690 6.4690 7.2152 7.2152 7.9253 7.9253 k = 0.0000 0.0000 0.2385 ( 6530 PWs) bands (ev): -21.6236 -21.6236 -21.5934 -21.5934 -11.5838 -11.5838 -11.5017 -11.5017 -6.7399 -6.7399 -6.7142 -6.7142 -4.6858 -4.6858 -4.5504 -4.5504 -4.1555 -4.1555 -4.0227 -4.0227 -3.9814 -3.9814 -3.9212 -3.9212 -1.7298 -1.7298 -1.5718 -1.5718 -1.3960 -1.3960 -1.3192 -1.3192 -0.9519 -0.9519 -0.8480 -0.8480 -0.6470 -0.6470 -0.4244 -0.4244 -0.2496 -0.2496 0.6199 0.6199 0.7985 0.7985 0.9968 0.9968 1.4917 1.4917 1.5378 1.5378 1.8453 1.8453 2.3980 2.3980 5.4693 5.4693 6.3205 6.3205 6.3726 6.3726 6.4787 6.4787 7.2118 7.2118 7.9660 7.9660 k = 0.0000 0.0000 0.2120 ( 6536 PWs) bands (ev): -21.6240 -21.6240 -21.5931 -21.5931 -11.5850 -11.5850 -11.5008 -11.5008 -6.7390 -6.7390 -6.7127 -6.7127 -4.6865 -4.6865 -4.5468 -4.5468 -4.1614 -4.1614 -4.0243 -4.0243 -3.9833 -3.9833 -3.9204 -3.9204 -1.7200 -1.7200 -1.5732 -1.5732 -1.4002 -1.4002 -1.3194 -1.3194 -0.9563 -0.9563 -0.8542 -0.8542 -0.6532 -0.6532 -0.4381 -0.4381 -0.2528 -0.2528 0.6266 0.6266 0.8183 0.8183 1.0021 1.0021 1.4897 1.4897 1.5357 1.5357 1.8497 1.8497 2.4317 2.4317 5.4671 5.4671 6.3301 6.3301 6.3737 6.3737 6.4882 6.4882 7.2088 7.2088 8.0077 8.0077 k = 0.0000 0.0000 0.1855 ( 6536 PWs) bands (ev): -21.6243 -21.6243 -21.5927 -21.5927 -11.5860 -11.5860 -11.5000 -11.5000 -6.7381 -6.7381 -6.7114 -6.7114 -4.6871 -4.6871 -4.5436 -4.5436 -4.1668 -4.1668 -4.0259 -4.0259 -3.9850 -3.9850 -3.9197 -3.9197 -1.7099 -1.7099 -1.5761 -1.5761 -1.4042 -1.4042 -1.3195 -1.3195 -0.9592 -0.9592 -0.8601 -0.8601 -0.6584 -0.6584 -0.4507 -0.4507 -0.2557 -0.2557 0.6326 0.6326 0.8366 0.8366 1.0063 1.0063 1.4876 1.4876 1.5340 1.5340 1.8537 1.8537 2.4623 2.4623 5.4659 5.4659 6.3384 6.3384 6.3746 6.3746 6.4972 6.4972 7.2062 7.2062 8.0499 8.0499 k = 0.0000 0.0000 0.1590 ( 6530 PWs) bands (ev): -21.6246 -21.6246 -21.5924 -21.5924 -11.5870 -11.5870 -11.4993 -11.4993 -6.7373 -6.7373 -6.7103 -6.7103 -4.6876 -4.6876 -4.5407 -4.5407 -4.1716 -4.1716 -4.0272 -4.0272 -3.9866 -3.9866 -3.9191 -3.9191 -1.6996 -1.6996 -1.5803 -1.5803 -1.4078 -1.4078 -1.3197 -1.3197 -0.9609 -0.9609 -0.8655 -0.8655 -0.6628 -0.6628 -0.4619 -0.4619 -0.2583 -0.2583 0.6380 0.6380 0.8532 0.8532 1.0093 1.0093 1.4856 1.4856 1.5327 1.5327 1.8572 1.8572 2.4895 2.4895 5.4654 5.4654 6.3454 6.3454 6.3754 6.3754 6.5056 6.5056 7.2039 7.2039 8.0919 8.0919 k = 0.0000 0.0000 0.1325 ( 6540 PWs) bands (ev): -21.6249 -21.6249 -21.5922 -21.5922 -11.5877 -11.5877 -11.4988 -11.4988 -6.7366 -6.7366 -6.7093 -6.7093 -4.6880 -4.6880 -4.5382 -4.5382 -4.1758 -4.1758 -4.0284 -4.0284 -3.9880 -3.9880 -3.9186 -3.9186 -1.6894 -1.6894 -1.5857 -1.5857 -1.4108 -1.4108 -1.3199 -1.3199 -0.9616 -0.9616 -0.8705 -0.8705 -0.6664 -0.6664 -0.4717 -0.4717 -0.2605 -0.2605 0.6427 0.6427 0.8679 0.8679 1.0114 1.0114 1.4837 1.4837 1.5317 1.5317 1.8602 1.8602 2.5129 2.5129 5.4654 5.4654 6.3512 6.3512 6.3759 6.3759 6.5131 6.5131 7.2020 7.2020 8.1327 8.1327 k = 0.0000 0.0000 0.1060 ( 6536 PWs) bands (ev): -21.6251 -21.6251 -21.5920 -21.5920 -11.5884 -11.5884 -11.4983 -11.4983 -6.7360 -6.7360 -6.7084 -6.7084 -4.6884 -4.6884 -4.5360 -4.5360 -4.1793 -4.1793 -4.0294 -4.0294 -3.9892 -3.9892 -3.9182 -3.9182 -1.6792 -1.6792 -1.5919 -1.5919 -1.4134 -1.4134 -1.3201 -1.3201 -0.9616 -0.9616 -0.8749 -0.8749 -0.6692 -0.6692 -0.4799 -0.4799 -0.2623 -0.2623 0.6465 0.6465 0.8805 0.8805 1.0126 1.0126 1.4820 1.4820 1.5310 1.5310 1.8627 1.8627 2.5324 2.5324 5.4657 5.4657 6.3561 6.3561 6.3761 6.3761 6.5195 6.5195 7.2005 7.2005 8.1709 8.1709 k = 0.0000 0.0000 0.0795 ( 6544 PWs) bands (ev): -21.6253 -21.6253 -21.5919 -21.5919 -11.5889 -11.5889 -11.4979 -11.4979 -6.7356 -6.7356 -6.7078 -6.7078 -4.6886 -4.6886 -4.5343 -4.5343 -4.1820 -4.1820 -4.0301 -4.0301 -3.9901 -3.9901 -3.9179 -3.9179 -1.6694 -1.6694 -1.5988 -1.5988 -1.4153 -1.4153 -1.3203 -1.3203 -0.9611 -0.9611 -0.8785 -0.8785 -0.6713 -0.6713 -0.4865 -0.4865 -0.2637 -0.2637 0.6496 0.6496 0.8908 0.8908 1.0132 1.0132 1.4805 1.4805 1.5304 1.5304 1.8646 1.8646 2.5477 2.5477 5.4662 5.4662 6.3600 6.3600 6.3762 6.3762 6.5246 6.5246 7.1993 7.1993 8.2045 8.2045 k = 0.0000 0.0000 0.0530 ( 6546 PWs) bands (ev): -21.6254 -21.6254 -21.5918 -21.5918 -11.5893 -11.5893 -11.4976 -11.4976 -6.7352 -6.7352 -6.7073 -6.7073 -4.6888 -4.6888 -4.5331 -4.5331 -4.1840 -4.1840 -4.0307 -4.0307 -3.9908 -3.9908 -3.9177 -3.9177 -1.6605 -1.6605 -1.6057 -1.6057 -1.4167 -1.4167 -1.3204 -1.3204 -0.9605 -0.9605 -0.8812 -0.8812 -0.6728 -0.6728 -0.4912 -0.4912 -0.2648 -0.2648 0.6518 0.6518 0.8984 0.8984 1.0133 1.0133 1.4795 1.4795 1.5301 1.5301 1.8660 1.8660 2.5588 2.5588 5.4667 5.4667 6.3629 6.3629 6.3760 6.3760 6.5284 6.5284 7.1984 7.1984 8.2312 8.2312 k = 0.0000 0.0000 0.0265 ( 6555 PWs) bands (ev): -21.6255 -21.6255 -21.5917 -21.5917 -11.5895 -11.5895 -11.4975 -11.4975 -6.7350 -6.7350 -6.7071 -6.7071 -4.6889 -4.6889 -4.5324 -4.5324 -4.1852 -4.1852 -4.0310 -4.0310 -3.9912 -3.9912 -3.9175 -3.9175 -1.6536 -1.6536 -1.6115 -1.6115 -1.4176 -1.4176 -1.3205 -1.3205 -0.9601 -0.9601 -0.8829 -0.8829 -0.6736 -0.6736 -0.4941 -0.4941 -0.2654 -0.2654 0.6532 0.6532 0.9031 0.9031 1.0133 1.0133 1.4788 1.4788 1.5299 1.5299 1.8669 1.8669 2.5654 2.5654 5.4670 5.4670 6.3648 6.3648 6.3758 6.3758 6.5307 6.5307 7.1979 7.1979 8.2486 8.2486 k = 0.0000 0.0000 0.0000 ( 6541 PWs) bands (ev): -21.6255 -21.6255 -21.5917 -21.5917 -11.5895 -11.5895 -11.4974 -11.4974 -6.7350 -6.7350 -6.7070 -6.7070 -4.6890 -4.6890 -4.5321 -4.5321 -4.1856 -4.1856 -4.0312 -4.0312 -3.9914 -3.9914 -3.9175 -3.9175 -1.6507 -1.6507 -1.6140 -1.6140 -1.4179 -1.4179 -1.3206 -1.3206 -0.9599 -0.9599 -0.8835 -0.8835 -0.6739 -0.6739 -0.4951 -0.4951 -0.2656 -0.2656 0.6536 0.6536 0.9047 0.9047 1.0133 1.0133 1.4786 1.4786 1.5298 1.5298 1.8672 1.8672 2.5677 2.5677 5.4671 5.4671 6.3655 6.3655 6.3756 6.3756 6.5314 6.5314 7.1977 7.1977 8.2546 8.2546 k = 0.0000 0.0000 0.0000 ( 6541 PWs) bands (ev): -21.6255 -21.6255 -21.5917 -21.5917 -11.5895 -11.5895 -11.4974 -11.4974 -6.7350 -6.7350 -6.7070 -6.7070 -4.6890 -4.6890 -4.5321 -4.5321 -4.1856 -4.1856 -4.0312 -4.0312 -3.9914 -3.9914 -3.9175 -3.9175 -1.6507 -1.6507 -1.6140 -1.6140 -1.4179 -1.4179 -1.3206 -1.3206 -0.9599 -0.9599 -0.8835 -0.8835 -0.6739 -0.6739 -0.4951 -0.4951 -0.2656 -0.2656 0.6536 0.6536 0.9047 0.9047 1.0133 1.0133 1.4786 1.4786 1.5298 1.5298 1.8672 1.8672 2.5677 2.5677 5.4671 5.4671 6.3655 6.3655 6.3756 6.3756 6.5314 6.5314 7.1977 7.1977 8.2546 8.2546 k =-0.0250 0.0062 0.0000 ( 6533 PWs) bands (ev): -21.6255 -21.6255 -21.5917 -21.5917 -11.5896 -11.5896 -11.4974 -11.4974 -6.7361 -6.7361 -6.7049 -6.7049 -4.6904 -4.6904 -4.5325 -4.5325 -4.1863 -4.1863 -4.0308 -4.0308 -3.9907 -3.9907 -3.9176 -3.9176 -1.6507 -1.6507 -1.6141 -1.6141 -1.4179 -1.4179 -1.3206 -1.3206 -0.9589 -0.9589 -0.8830 -0.8830 -0.6736 -0.6736 -0.4952 -0.4952 -0.2657 -0.2657 0.6536 0.6536 0.9048 0.9048 1.0133 1.0133 1.4790 1.4790 1.5297 1.5297 1.8673 1.8673 2.5671 2.5671 5.4683 5.4683 6.3593 6.3593 6.3806 6.3806 6.5305 6.5305 7.1969 7.1969 8.2552 8.2552 k =-0.0500 0.0124 0.0000 ( 6533 PWs) bands (ev): -21.6255 -21.6255 -21.5917 -21.5917 -11.5896 -11.5896 -11.4975 -11.4975 -6.7389 -6.7389 -6.6994 -6.6994 -4.6947 -4.6947 -4.5337 -4.5337 -4.1883 -4.1883 -4.0299 -4.0299 -3.9889 -3.9889 -3.9181 -3.9181 -1.6505 -1.6505 -1.6146 -1.6146 -1.4181 -1.4181 -1.3206 -1.3206 -0.9561 -0.9561 -0.8814 -0.8814 -0.6725 -0.6725 -0.4954 -0.4954 -0.2657 -0.2657 0.6536 0.6536 0.9052 0.9052 1.0132 1.0132 1.4800 1.4800 1.5294 1.5294 1.8676 1.8676 2.5654 2.5654 5.4716 5.4716 6.3488 6.3488 6.3872 6.3872 6.5276 6.5276 7.1944 7.1944 8.2571 8.2571 k =-0.0750 0.0186 0.0000 ( 6528 PWs) bands (ev): -21.6255 -21.6255 -21.5917 -21.5917 -11.5896 -11.5896 -11.4977 -11.4977 -6.7420 -6.7420 -6.6919 -6.6919 -4.7018 -4.7018 -4.5357 -4.5357 -4.1915 -4.1915 -4.0285 -4.0285 -3.9860 -3.9860 -3.9187 -3.9187 -1.6503 -1.6503 -1.6155 -1.6155 -1.4184 -1.4184 -1.3205 -1.3205 -0.9514 -0.9514 -0.8789 -0.8789 -0.6708 -0.6708 -0.4957 -0.4957 -0.2658 -0.2658 0.6536 0.6536 0.9057 0.9057 1.0131 1.0131 1.4816 1.4816 1.5289 1.5289 1.8681 1.8681 2.5626 2.5626 5.4771 5.4771 6.3370 6.3370 6.3926 6.3926 6.5231 6.5231 7.1903 7.1903 8.2603 8.2603 k =-0.1000 0.0248 0.0000 ( 6526 PWs) bands (ev): -21.6255 -21.6255 -21.5917 -21.5917 -11.5896 -11.5896 -11.4980 -11.4980 -6.7449 -6.7449 -6.6829 -6.6829 -4.7113 -4.7113 -4.5385 -4.5385 -4.1957 -4.1957 -4.0267 -4.0267 -3.9819 -3.9819 -3.9197 -3.9197 -1.6501 -1.6501 -1.6166 -1.6166 -1.4188 -1.4188 -1.3205 -1.3205 -0.9451 -0.9451 -0.8754 -0.8754 -0.6682 -0.6682 -0.4962 -0.4962 -0.2659 -0.2659 0.6536 0.6536 0.9064 0.9064 1.0130 1.0130 1.4839 1.4839 1.5282 1.5282 1.8688 1.8688 2.5588 2.5588 5.4847 5.4847 6.3244 6.3244 6.3963 6.3963 6.5170 6.5170 7.1847 7.1847 8.2645 8.2645 k =-0.1250 0.0310 0.0000 ( 6532 PWs) bands (ev): -21.6254 -21.6254 -21.5917 -21.5917 -11.5897 -11.5897 -11.4982 -11.4982 -6.7473 -6.7473 -6.6729 -6.6729 -4.7231 -4.7231 -4.5421 -4.5421 -4.2007 -4.2007 -4.0246 -4.0246 -3.9770 -3.9770 -3.9209 -3.9209 -1.6498 -1.6498 -1.6181 -1.6181 -1.4193 -1.4193 -1.3205 -1.3205 -0.9374 -0.9374 -0.8711 -0.8711 -0.6650 -0.6650 -0.4967 -0.4967 -0.2661 -0.2661 0.6536 0.6536 0.9074 0.9074 1.0129 1.0129 1.4867 1.4867 1.5273 1.5273 1.8697 1.8697 2.5541 2.5541 5.4943 5.4943 6.3112 6.3112 6.3979 6.3979 6.5099 6.5099 7.1778 7.1778 8.2698 8.2698 k =-0.1500 0.0372 0.0000 ( 6528 PWs) bands (ev): -21.6254 -21.6254 -21.5917 -21.5917 -11.5898 -11.5898 -11.4986 -11.4986 -6.7491 -6.7491 -6.6621 -6.6621 -4.7368 -4.7368 -4.5465 -4.5465 -4.2063 -4.2063 -4.0224 -4.0224 -3.9713 -3.9713 -3.9223 -3.9223 -1.6494 -1.6494 -1.6198 -1.6198 -1.4198 -1.4198 -1.3205 -1.3205 -0.9285 -0.9285 -0.8661 -0.8661 -0.6609 -0.6609 -0.4974 -0.4974 -0.2663 -0.2663 0.6537 0.6537 0.9084 0.9084 1.0128 1.0128 1.4899 1.4899 1.5263 1.5263 1.8707 1.8707 2.5485 2.5485 5.5057 5.5057 6.2976 6.2976 6.3971 6.3971 6.5021 6.5021 7.1697 7.1697 8.2759 8.2759 k =-0.1750 0.0434 0.0000 ( 6526 PWs) bands (ev): -21.6254 -21.6254 -21.5917 -21.5917 -11.5898 -11.5898 -11.4990 -11.4990 -6.7504 -6.7504 -6.6508 -6.6508 -4.7520 -4.7520 -4.5516 -4.5516 -4.2121 -4.2121 -4.0199 -4.0199 -3.9651 -3.9651 -3.9240 -3.9240 -1.6491 -1.6491 -1.6217 -1.6217 -1.4205 -1.4205 -1.3205 -1.3205 -0.9188 -0.9188 -0.8606 -0.8606 -0.6560 -0.6560 -0.4982 -0.4982 -0.2665 -0.2665 0.6537 0.6537 0.9096 0.9096 1.0126 1.0126 1.4935 1.4935 1.5253 1.5253 1.8719 1.8719 2.5422 2.5422 5.5189 5.5189 6.2838 6.2838 6.3935 6.3935 6.4942 6.4942 7.1608 7.1608 8.2826 8.2826 k =-0.2000 0.0496 0.0000 ( 6534 PWs) bands (ev): -21.6254 -21.6254 -21.5917 -21.5917 -11.5899 -11.5899 -11.4994 -11.4994 -6.7510 -6.7510 -6.6391 -6.6391 -4.7684 -4.7684 -4.5572 -4.5572 -4.2181 -4.2181 -4.0173 -4.0173 -3.9587 -3.9587 -3.9259 -3.9259 -1.6487 -1.6487 -1.6238 -1.6238 -1.4211 -1.4211 -1.3205 -1.3205 -0.9086 -0.9086 -0.8546 -0.8546 -0.6502 -0.6502 -0.4990 -0.4990 -0.2667 -0.2667 0.6537 0.6537 0.9110 0.9110 1.0124 1.0124 1.4972 1.4972 1.5243 1.5243 1.8732 1.8732 2.5353 2.5353 5.5335 5.5335 6.2702 6.2702 6.3870 6.3870 6.4869 6.4869 7.1512 7.1512 8.2898 8.2898 k =-0.2250 0.0558 0.0000 ( 6530 PWs) bands (ev): -21.6254 -21.6254 -21.5918 -21.5918 -11.5900 -11.5900 -11.4998 -11.4998 -6.7512 -6.7512 -6.6271 -6.6271 -4.7856 -4.7856 -4.5632 -4.5632 -4.2241 -4.2241 -4.0146 -4.0146 -3.9521 -3.9521 -3.9278 -3.9278 -1.6484 -1.6484 -1.6260 -1.6260 -1.4218 -1.4218 -1.3206 -1.3206 -0.8983 -0.8983 -0.8485 -0.8485 -0.6437 -0.6437 -0.4998 -0.4998 -0.2669 -0.2669 0.6537 0.6537 0.9123 0.9123 1.0122 1.0122 1.5007 1.5007 1.5235 1.5235 1.8745 1.8745 2.5280 2.5280 5.5494 5.5494 6.2568 6.2568 6.3773 6.3773 6.4804 6.4804 7.1412 7.1412 8.2971 8.2971 k =-0.2500 0.0620 0.0000 ( 6528 PWs) bands (ev): -21.6254 -21.6254 -21.5918 -21.5918 -11.5901 -11.5901 -11.5003 -11.5003 -6.7509 -6.7509 -6.6151 -6.6151 -4.8032 -4.8032 -4.5696 -4.5696 -4.2300 -4.2300 -4.0117 -4.0117 -3.9459 -3.9459 -3.9297 -3.9297 -1.6481 -1.6481 -1.6283 -1.6283 -1.4226 -1.4226 -1.3206 -1.3206 -0.8881 -0.8881 -0.8422 -0.8422 -0.6364 -0.6364 -0.5007 -0.5007 -0.2672 -0.2672 0.6537 0.6537 0.9137 0.9137 1.0120 1.0120 1.5039 1.5039 1.5233 1.5233 1.8759 1.8759 2.5205 2.5205 5.5662 5.5662 6.2441 6.2441 6.3648 6.3648 6.4749 6.4749 7.1310 7.1310 8.3041 8.3041 k =-0.2750 0.0682 0.0000 ( 6540 PWs) bands (ev): -21.6253 -21.6253 -21.5918 -21.5918 -11.5901 -11.5901 -11.5007 -11.5007 -6.7503 -6.7503 -6.6033 -6.6033 -4.8207 -4.8207 -4.5760 -4.5760 -4.2355 -4.2355 -4.0087 -4.0087 -3.9410 -3.9410 -3.9307 -3.9307 -1.6478 -1.6478 -1.6306 -1.6306 -1.4233 -1.4233 -1.3207 -1.3207 -0.8783 -0.8783 -0.8361 -0.8361 -0.6286 -0.6286 -0.5015 -0.5015 -0.2674 -0.2674 0.6537 0.6537 0.9151 0.9151 1.0118 1.0118 1.5061 1.5061 1.5239 1.5239 1.8773 1.8773 2.5129 2.5129 5.5837 5.5837 6.2321 6.2321 6.3500 6.3500 6.4704 6.4704 7.1210 7.1210 8.3102 8.3102 k =-0.3000 0.0744 0.0000 ( 6538 PWs) bands (ev): -21.6253 -21.6253 -21.5918 -21.5918 -11.5902 -11.5902 -11.5012 -11.5012 -6.7495 -6.7495 -6.5919 -6.5919 -4.8378 -4.8378 -4.5824 -4.5824 -4.2408 -4.2408 -4.0057 -4.0057 -3.9393 -3.9393 -3.9288 -3.9288 -1.6476 -1.6476 -1.6328 -1.6328 -1.4240 -1.4240 -1.3207 -1.3207 -0.8692 -0.8692 -0.8303 -0.8303 -0.6204 -0.6204 -0.5024 -0.5024 -0.2675 -0.2675 0.6538 0.6538 0.9165 0.9165 1.0116 1.0116 1.5071 1.5071 1.5256 1.5256 1.8787 1.8787 2.5054 2.5054 5.6015 5.6015 6.2213 6.2213 6.3335 6.3335 6.4667 6.4667 7.1112 7.1112 8.3137 8.3137 k =-0.3250 0.0806 0.0000 ( 6528 PWs) bands (ev): -21.6253 -21.6253 -21.5918 -21.5918 -11.5903 -11.5903 -11.5016 -11.5016 -6.7484 -6.7484 -6.5812 -6.5812 -4.8541 -4.8541 -4.5886 -4.5886 -4.2455 -4.2455 -4.0025 -4.0025 -3.9408 -3.9408 -3.9244 -3.9244 -1.6474 -1.6474 -1.6349 -1.6349 -1.4246 -1.4246 -1.3208 -1.3208 -0.8609 -0.8609 -0.8247 -0.8247 -0.6120 -0.6120 -0.5032 -0.5032 -0.2677 -0.2677 0.6538 0.6538 0.9178 0.9178 1.0114 1.0114 1.5071 1.5071 1.5282 1.5282 1.8800 1.8800 2.4982 2.4982 5.6192 5.6192 6.2117 6.2117 6.3159 6.3159 6.4635 6.4635 7.1021 7.1021 8.3085 8.3085 k =-0.3500 0.0868 0.0000 ( 6536 PWs) bands (ev): -21.6253 -21.6253 -21.5918 -21.5918 -11.5903 -11.5903 -11.5020 -11.5020 -6.7473 -6.7473 -6.5713 -6.5713 -4.8691 -4.8691 -4.5944 -4.5944 -4.2498 -4.2498 -3.9994 -3.9994 -3.9431 -3.9431 -3.9197 -3.9197 -1.6474 -1.6474 -1.6368 -1.6368 -1.4252 -1.4252 -1.3209 -1.3209 -0.8536 -0.8536 -0.8197 -0.8197 -0.6039 -0.6039 -0.5039 -0.5039 -0.2679 -0.2679 0.6538 0.6538 0.9190 0.9190 1.0112 1.0112 1.5065 1.5065 1.5312 1.5312 1.8812 1.8812 2.4915 2.4915 5.6363 5.6363 6.2036 6.2036 6.2980 6.2980 6.4609 6.4609 7.0937 7.0937 8.2851 8.2851 k =-0.3750 0.0930 0.0000 ( 6530 PWs) bands (ev): -21.6253 -21.6253 -21.5918 -21.5918 -11.5904 -11.5904 -11.5023 -11.5023 -6.7462 -6.7462 -6.5625 -6.5625 -4.8825 -4.8825 -4.5995 -4.5995 -4.2534 -4.2534 -3.9964 -3.9964 -3.9457 -3.9457 -3.9153 -3.9153 -1.6474 -1.6474 -1.6384 -1.6384 -1.4257 -1.4257 -1.3209 -1.3209 -0.8475 -0.8475 -0.8152 -0.8152 -0.5963 -0.5963 -0.5046 -0.5046 -0.2680 -0.2680 0.6538 0.6538 0.9201 0.9201 1.0110 1.0110 1.5057 1.5057 1.5341 1.5341 1.8822 1.8822 2.4856 2.4856 5.6522 5.6522 6.1973 6.1973 6.2803 6.2803 6.4586 6.4586 7.0863 7.0863 8.2540 8.2540 k =-0.4000 0.0992 0.0000 ( 6526 PWs) bands (ev): -21.6253 -21.6253 -21.5919 -21.5919 -11.5904 -11.5904 -11.5026 -11.5026 -6.7453 -6.7453 -6.5549 -6.5549 -4.8939 -4.8939 -4.6040 -4.6040 -4.2565 -4.2565 -3.9935 -3.9935 -3.9483 -3.9483 -3.9116 -3.9116 -1.6475 -1.6475 -1.6397 -1.6397 -1.4262 -1.4262 -1.3210 -1.3210 -0.8425 -0.8425 -0.8114 -0.8114 -0.5895 -0.5895 -0.5051 -0.5051 -0.2681 -0.2681 0.6538 0.6538 0.9210 0.9210 1.0109 1.0109 1.5048 1.5048 1.5368 1.5368 1.8831 1.8831 2.4804 2.4804 5.6664 5.6664 6.1929 6.1929 6.2636 6.2636 6.4567 6.4567 7.0801 7.0801 8.2254 8.2254 k =-0.4250 0.1054 0.0000 ( 6532 PWs) bands (ev): -21.6253 -21.6253 -21.5919 -21.5919 -11.5905 -11.5905 -11.5029 -11.5029 -6.7444 -6.7444 -6.5488 -6.5488 -4.9032 -4.9032 -4.6076 -4.6076 -4.2589 -4.2589 -3.9909 -3.9909 -3.9507 -3.9507 -3.9087 -3.9087 -1.6477 -1.6477 -1.6407 -1.6407 -1.4266 -1.4266 -1.3211 -1.3211 -0.8386 -0.8386 -0.8084 -0.8084 -0.5838 -0.5838 -0.5056 -0.5056 -0.2682 -0.2682 0.6538 0.6538 0.9217 0.9217 1.0108 1.0108 1.5040 1.5040 1.5390 1.5390 1.8838 1.8838 2.4763 2.4763 5.6782 5.6782 6.1906 6.1906 6.2485 6.2485 6.4553 6.4553 7.0751 7.0751 8.2023 8.2023 k =-0.4500 0.1116 0.0000 ( 6526 PWs) bands (ev): -21.6252 -21.6252 -21.5919 -21.5919 -11.5905 -11.5905 -11.5031 -11.5031 -6.7438 -6.7438 -6.5444 -6.5444 -4.9100 -4.9100 -4.6102 -4.6102 -4.2607 -4.2607 -3.9887 -3.9887 -3.9527 -3.9527 -3.9065 -3.9065 -1.6479 -1.6479 -1.6413 -1.6413 -1.4268 -1.4268 -1.3211 -1.3211 -0.8359 -0.8359 -0.8061 -0.8061 -0.5796 -0.5796 -0.5059 -0.5059 -0.2682 -0.2682 0.6538 0.6538 0.9223 0.9223 1.0107 1.0107 1.5034 1.5034 1.5407 1.5407 1.8844 1.8844 2.4732 2.4732 5.6872 5.6872 6.1901 6.1901 6.2359 6.2359 6.4542 6.4542 7.0714 7.0714 8.1855 8.1855 k =-0.4750 0.1178 0.0000 ( 6530 PWs) bands (ev): -21.6252 -21.6252 -21.5919 -21.5919 -11.5905 -11.5905 -11.5032 -11.5032 -6.7434 -6.7434 -6.5416 -6.5416 -4.9141 -4.9141 -4.6118 -4.6118 -4.2617 -4.2617 -3.9873 -3.9873 -3.9540 -3.9540 -3.9052 -3.9052 -1.6481 -1.6481 -1.6417 -1.6417 -1.4270 -1.4270 -1.3211 -1.3211 -0.8343 -0.8343 -0.8047 -0.8047 -0.5770 -0.5770 -0.5061 -0.5061 -0.2682 -0.2682 0.6539 0.6539 0.9226 0.9226 1.0106 1.0106 1.5030 1.5030 1.5417 1.5417 1.8847 1.8847 2.4713 2.4713 5.6928 5.6928 6.1909 6.1909 6.2271 6.2271 6.4535 6.4535 7.0692 7.0692 8.1753 8.1753 k =-0.5000 0.1239 0.0000 ( 6538 PWs) bands (ev): -21.6252 -21.6252 -21.5919 -21.5919 -11.5905 -11.5905 -11.5032 -11.5032 -6.7432 -6.7432 -6.5407 -6.5407 -4.9155 -4.9155 -4.6124 -4.6124 -4.2621 -4.2621 -3.9868 -3.9868 -3.9545 -3.9545 -3.9047 -3.9047 -1.6482 -1.6482 -1.6418 -1.6418 -1.4270 -1.4270 -1.3211 -1.3211 -0.8337 -0.8337 -0.8042 -0.8042 -0.5761 -0.5761 -0.5062 -0.5062 -0.2683 -0.2683 0.6539 0.6539 0.9227 0.9227 1.0106 1.0106 1.5029 1.5029 1.5421 1.5421 1.8848 1.8848 2.4707 2.4707 5.6947 5.6947 6.1915 6.1915 6.2237 6.2237 6.4533 6.4533 7.0685 7.0685 8.1718 8.1718 k =-0.5000 0.1239 0.0000 ( 6538 PWs) bands (ev): -21.6252 -21.6252 -21.5919 -21.5919 -11.5905 -11.5905 -11.5032 -11.5032 -6.7432 -6.7432 -6.5407 -6.5407 -4.9155 -4.9155 -4.6124 -4.6124 -4.2621 -4.2621 -3.9868 -3.9868 -3.9545 -3.9545 -3.9047 -3.9047 -1.6482 -1.6482 -1.6418 -1.6418 -1.4270 -1.4270 -1.3211 -1.3211 -0.8337 -0.8337 -0.8042 -0.8042 -0.5761 -0.5761 -0.5062 -0.5062 -0.2683 -0.2683 0.6539 0.6539 0.9227 0.9227 1.0106 1.0106 1.5029 1.5029 1.5421 1.5421 1.8848 1.8848 2.4707 2.4707 5.6947 5.6947 6.1915 6.1915 6.2237 6.2237 6.4533 6.4533 7.0685 7.0685 8.1718 8.1718 k =-0.4937 0.1495-0.0000 ( 6530 PWs) bands (ev): -21.6252 -21.6252 -21.5919 -21.5919 -11.5904 -11.5904 -11.5031 -11.5031 -6.7432 -6.7432 -6.5408 -6.5408 -4.9154 -4.9154 -4.6123 -4.6123 -4.2619 -4.2619 -3.9871 -3.9871 -3.9547 -3.9547 -3.9047 -3.9047 -1.6490 -1.6490 -1.6408 -1.6408 -1.4269 -1.4269 -1.3213 -1.3213 -0.8342 -0.8342 -0.8033 -0.8033 -0.5765 -0.5765 -0.5053 -0.5053 -0.2682 -0.2682 0.6539 0.6539 0.9198 0.9198 1.0132 1.0132 1.5017 1.5017 1.5417 1.5417 1.8841 1.8841 2.4705 2.4705 5.6951 5.6951 6.1911 6.1911 6.2223 6.2223 6.4521 6.4521 7.0690 7.0690 8.1721 8.1721 k =-0.4873 0.1751-0.0000 ( 6538 PWs) bands (ev): -21.6252 -21.6252 -21.5918 -21.5918 -11.5899 -11.5899 -11.5029 -11.5029 -6.7430 -6.7430 -6.5409 -6.5409 -4.9152 -4.9152 -4.6121 -4.6121 -4.2615 -4.2615 -3.9879 -3.9879 -3.9555 -3.9555 -3.9045 -3.9045 -1.6507 -1.6507 -1.6385 -1.6385 -1.4265 -1.4265 -1.3217 -1.3217 -0.8354 -0.8354 -0.8007 -0.8007 -0.5775 -0.5775 -0.5028 -0.5028 -0.2682 -0.2682 0.6540 0.6540 0.9118 0.9118 1.0202 1.0202 1.4983 1.4983 1.5406 1.5406 1.8819 1.8819 2.4699 2.4699 5.6963 5.6963 6.1898 6.1898 6.2180 6.2180 6.4485 6.4485 7.0705 7.0705 8.1728 8.1728 k =-0.4810 0.2007-0.0000 ( 6532 PWs) bands (ev): -21.6251 -21.6251 -21.5918 -21.5918 -11.5892 -11.5892 -11.5026 -11.5026 -6.7426 -6.7426 -6.5411 -6.5411 -4.9148 -4.9148 -4.6117 -4.6117 -4.2608 -4.2608 -3.9893 -3.9893 -3.9569 -3.9569 -3.9042 -3.9042 -1.6525 -1.6525 -1.6358 -1.6358 -1.4259 -1.4259 -1.3224 -1.3224 -0.8368 -0.8368 -0.7968 -0.7968 -0.5791 -0.5791 -0.4987 -0.4987 -0.2682 -0.2682 0.6542 0.6542 0.9005 0.9005 1.0300 1.0300 1.4927 1.4927 1.5388 1.5388 1.8783 1.8783 2.4690 2.4690 5.6983 5.6983 6.1876 6.1876 6.2109 6.2109 6.4424 6.4424 7.0731 7.0731 8.1740 8.1740 k =-0.4746 0.2263-0.0000 ( 6532 PWs) bands (ev): -21.6251 -21.6251 -21.5917 -21.5917 -11.5882 -11.5882 -11.5022 -11.5022 -6.7422 -6.7422 -6.5414 -6.5414 -4.9142 -4.9142 -4.6112 -4.6112 -4.2598 -4.2598 -3.9911 -3.9911 -3.9587 -3.9587 -3.9038 -3.9038 -1.6543 -1.6543 -1.6327 -1.6327 -1.4250 -1.4250 -1.3233 -1.3233 -0.8381 -0.8381 -0.7920 -0.7920 -0.5809 -0.5809 -0.4933 -0.4933 -0.2681 -0.2681 0.6544 0.6544 0.8870 0.8870 1.0413 1.0413 1.4848 1.4848 1.5364 1.5365 1.8733 1.8733 2.4676 2.4676 5.7009 5.7009 6.1845 6.1845 6.2013 6.2013 6.4341 6.4341 7.0767 7.0767 8.1753 8.1753 k =-0.4683 0.2519-0.0000 ( 6534 PWs) bands (ev): -21.6250 -21.6250 -21.5916 -21.5916 -11.5870 -11.5870 -11.5016 -11.5016 -6.7416 -6.7416 -6.5417 -6.5417 -4.9135 -4.9135 -4.6105 -4.6105 -4.2585 -4.2585 -3.9936 -3.9936 -3.9611 -3.9611 -3.9032 -3.9032 -1.6560 -1.6560 -1.6295 -1.6295 -1.4240 -1.4240 -1.3246 -1.3246 -0.8389 -0.8389 -0.7866 -0.7866 -0.5829 -0.5829 -0.4868 -0.4868 -0.2679 -0.2679 0.6548 0.6548 0.8722 0.8722 1.0533 1.0533 1.4748 1.4748 1.5335 1.5335 1.8670 1.8670 2.4656 2.4656 5.7040 5.7040 6.1799 6.1799 6.1898 6.1898 6.4235 6.4235 7.0813 7.0813 8.1768 8.1768 k =-0.4620 0.2774-0.0000 ( 6514 PWs) bands (ev): -21.6248 -21.6248 -21.5915 -21.5915 -11.5854 -11.5854 -11.5009 -11.5009 -6.7410 -6.7410 -6.5421 -6.5421 -4.9126 -4.9126 -4.6096 -4.6096 -4.2569 -4.2569 -3.9965 -3.9965 -3.9639 -3.9639 -3.9026 -3.9026 -1.6576 -1.6576 -1.6262 -1.6262 -1.4228 -1.4228 -1.3261 -1.3261 -0.8391 -0.8391 -0.7806 -0.7806 -0.5848 -0.5848 -0.4794 -0.4794 -0.2677 -0.2677 0.6551 0.6551 0.8566 0.8566 1.0656 1.0656 1.4628 1.4628 1.5300 1.5300 1.8594 1.8594 2.4630 2.4630 5.7075 5.7075 6.1709 6.1709 6.1794 6.1794 6.4108 6.4108 7.0868 7.0868 8.1780 8.1780 k =-0.4556 0.3030-0.0000 ( 6518 PWs) bands (ev): -21.6247 -21.6247 -21.5914 -21.5914 -11.5836 -11.5836 -11.5001 -11.5001 -6.7402 -6.7402 -6.5426 -6.5426 -4.9115 -4.9115 -4.6087 -4.6087 -4.2551 -4.2551 -3.9999 -3.9999 -3.9672 -3.9672 -3.9018 -3.9018 -1.6591 -1.6591 -1.6229 -1.6229 -1.4215 -1.4215 -1.3279 -1.3279 -0.8383 -0.8383 -0.7741 -0.7741 -0.5866 -0.5866 -0.4713 -0.4713 -0.2673 -0.2673 0.6555 0.6555 0.8403 0.8403 1.0780 1.0780 1.4489 1.4489 1.5259 1.5259 1.8506 1.8506 2.4598 2.4598 5.7112 5.7112 6.1558 6.1558 6.1724 6.1724 6.3962 6.3962 7.0933 7.0933 8.1788 8.1788 k =-0.4493 0.3286-0.0000 ( 6524 PWs) bands (ev): -21.6245 -21.6245 -21.5912 -21.5912 -11.5816 -11.5816 -11.4992 -11.4992 -6.7393 -6.7393 -6.5433 -6.5433 -4.9103 -4.9103 -4.6076 -4.6076 -4.2530 -4.2530 -4.0038 -4.0038 -3.9709 -3.9709 -3.9009 -3.9009 -1.6605 -1.6605 -1.6197 -1.6197 -1.4203 -1.4203 -1.3300 -1.3300 -0.8366 -0.8366 -0.7672 -0.7672 -0.5881 -0.5881 -0.4625 -0.4625 -0.2668 -0.2668 0.6558 0.6558 0.8236 0.8236 1.0903 1.0903 1.4335 1.4335 1.5213 1.5213 1.8407 1.8407 2.4557 2.4557 5.7148 5.7148 6.1379 6.1379 6.1655 6.1655 6.3797 6.3797 7.1008 7.1008 8.1787 8.1787 k =-0.4429 0.3542-0.0000 ( 6506 PWs) bands (ev): -21.6243 -21.6243 -21.5910 -21.5910 -11.5793 -11.5793 -11.4981 -11.4981 -6.7383 -6.7383 -6.5439 -6.5439 -4.9089 -4.9089 -4.6063 -4.6063 -4.2507 -4.2507 -4.0081 -4.0081 -3.9751 -3.9751 -3.8999 -3.8999 -1.6618 -1.6618 -1.6166 -1.6166 -1.4192 -1.4192 -1.3323 -1.3323 -0.8339 -0.8339 -0.7598 -0.7598 -0.5892 -0.5892 -0.4531 -0.4531 -0.2660 -0.2660 0.6561 0.6561 0.8066 0.8066 1.1025 1.1025 1.4167 1.4167 1.5162 1.5162 1.8298 1.8298 2.4507 2.4507 5.7179 5.7179 6.1187 6.1187 6.1577 6.1577 6.3617 6.3617 7.1091 7.1091 8.1773 8.1773 k =-0.4366 0.3798-0.0000 ( 6504 PWs) bands (ev): -21.6242 -21.6242 -21.5909 -21.5909 -11.5767 -11.5767 -11.4970 -11.4970 -6.7372 -6.7372 -6.5447 -6.5447 -4.9074 -4.9074 -4.6049 -4.6049 -4.2481 -4.2481 -4.0129 -4.0129 -3.9797 -3.9797 -3.8989 -3.8989 -1.6631 -1.6631 -1.6137 -1.6137 -1.4183 -1.4183 -1.3348 -1.3348 -0.8301 -0.8301 -0.7519 -0.7519 -0.5899 -0.5899 -0.4433 -0.4433 -0.2651 -0.2651 0.6562 0.6562 0.7895 0.7895 1.1143 1.1143 1.3987 1.3987 1.5106 1.5106 1.8179 1.8179 2.4446 2.4446 5.7202 5.7202 6.0988 6.0988 6.1487 6.1487 6.3423 6.3423 7.1182 7.1182 8.1741 8.1741 k =-0.4302 0.4053-0.0000 ( 6512 PWs) bands (ev): -21.6239 -21.6239 -21.5907 -21.5907 -11.5740 -11.5740 -11.4959 -11.4959 -6.7360 -6.7360 -6.5456 -6.5456 -4.9058 -4.9058 -4.6034 -4.6034 -4.2453 -4.2453 -4.0180 -4.0180 -3.9846 -3.9846 -3.8977 -3.8977 -1.6643 -1.6643 -1.6110 -1.6110 -1.4177 -1.4177 -1.3374 -1.3374 -0.8252 -0.8252 -0.7433 -0.7433 -0.5902 -0.5902 -0.4331 -0.4331 -0.2638 -0.2638 0.6561 0.6561 0.7724 0.7724 1.1258 1.1258 1.3798 1.3798 1.5045 1.5045 1.8053 1.8053 2.4374 2.4374 5.7213 5.7213 6.0788 6.0788 6.1385 6.1385 6.3219 6.3219 7.1282 7.1282 8.1687 8.1687 k =-0.4239 0.4309-0.0000 ( 6512 PWs) bands (ev): -21.6237 -21.6237 -21.5904 -21.5904 -11.5710 -11.5710 -11.4946 -11.4946 -6.7347 -6.7347 -6.5466 -6.5466 -4.9039 -4.9039 -4.6018 -4.6018 -4.2424 -4.2424 -4.0235 -4.0235 -3.9898 -3.9898 -3.8964 -3.8964 -1.6655 -1.6655 -1.6087 -1.6087 -1.4177 -1.4177 -1.3401 -1.3401 -0.8194 -0.8194 -0.7340 -0.7340 -0.5898 -0.5898 -0.4227 -0.4227 -0.2621 -0.2621 0.6556 0.6556 0.7556 0.7556 1.1369 1.1369 1.3603 1.3603 1.4980 1.4980 1.7920 1.7920 2.4289 2.4289 5.7204 5.7204 6.0595 6.0595 6.1267 6.1267 6.3008 6.3008 7.1391 7.1391 8.1606 8.1606 k =-0.4176 0.4565-0.0000 ( 6506 PWs) bands (ev): -21.6235 -21.6235 -21.5902 -21.5902 -11.5679 -11.5679 -11.4933 -11.4933 -6.7333 -6.7333 -6.5476 -6.5476 -4.9019 -4.9019 -4.6001 -4.6001 -4.2392 -4.2392 -4.0293 -4.0293 -3.9954 -3.9954 -3.8951 -3.8951 -1.6667 -1.6667 -1.6068 -1.6068 -1.4183 -1.4183 -1.3427 -1.3427 -0.8127 -0.8127 -0.7240 -0.7240 -0.5887 -0.5887 -0.4120 -0.4120 -0.2599 -0.2599 0.6543 0.6543 0.7394 0.7394 1.1473 1.1473 1.3406 1.3406 1.4910 1.4910 1.7782 1.7782 2.4191 2.4191 5.7172 5.7172 6.0416 6.0416 6.1131 6.1131 6.2796 6.2796 7.1506 7.1506 8.1493 8.1493 k =-0.4112 0.4821-0.0000 ( 6502 PWs) bands (ev): -21.6232 -21.6232 -21.5900 -21.5900 -11.5645 -11.5645 -11.4920 -11.4920 -6.7319 -6.7319 -6.5488 -6.5488 -4.8998 -4.8998 -4.5983 -4.5983 -4.2358 -4.2358 -4.0354 -4.0354 -4.0011 -4.0011 -3.8937 -3.8937 -1.6679 -1.6679 -1.6052 -1.6052 -1.4197 -1.4197 -1.3452 -1.3452 -0.8055 -0.8055 -0.7131 -0.7131 -0.5867 -0.5867 -0.4014 -0.4014 -0.2571 -0.2571 0.6518 0.6518 0.7244 0.7244 1.1570 1.1570 1.3211 1.3211 1.4836 1.4836 1.7639 1.7639 2.4077 2.4077 5.7110 5.7110 6.0258 6.0258 6.0974 6.0974 6.2585 6.2585 7.1630 7.1630 8.1343 8.1343 k =-0.4049 0.5077-0.0000 ( 6502 PWs) bands (ev): -21.6230 -21.6230 -21.5898 -21.5898 -11.5610 -11.5610 -11.4906 -11.4906 -6.7304 -6.7304 -6.5501 -6.5501 -4.8975 -4.8975 -4.5964 -4.5964 -4.2323 -4.2323 -4.0417 -4.0417 -4.0071 -4.0071 -3.8923 -3.8923 -1.6690 -1.6690 -1.6042 -1.6042 -1.4218 -1.4218 -1.3476 -1.3476 -0.7979 -0.7979 -0.7015 -0.7015 -0.5836 -0.5836 -0.3907 -0.3907 -0.2537 -0.2537 0.6472 0.6472 0.7115 0.7115 1.1653 1.1653 1.3024 1.3024 1.4759 1.4759 1.7494 1.7494 2.3948 2.3948 5.7014 5.7014 6.0127 6.0127 6.0794 6.0794 6.2380 6.2380 7.1760 7.1760 8.1155 8.1155 k =-0.3985 0.5332-0.0000 ( 6512 PWs) bands (ev): -21.6227 -21.6227 -21.5895 -21.5895 -11.5574 -11.5574 -11.4892 -11.4892 -6.7288 -6.7288 -6.5514 -6.5514 -4.8951 -4.8951 -4.5944 -4.5944 -4.2287 -4.2287 -4.0483 -4.0483 -4.0133 -4.0133 -3.8909 -3.8909 -1.6701 -1.6701 -1.6036 -1.6036 -1.4248 -1.4248 -1.3498 -1.3498 -0.7901 -0.7901 -0.6894 -0.6894 -0.5789 -0.5789 -0.3802 -0.3802 -0.2494 -0.2494 0.6395 0.6395 0.7017 0.7017 1.1717 1.1717 1.2854 1.2854 1.4678 1.4678 1.7347 1.7347 2.3802 2.3802 5.6883 5.6883 6.0027 6.0027 6.0590 6.0590 6.2185 6.2185 7.1898 7.1898 8.0926 8.0926 k =-0.3922 0.5588-0.0000 ( 6510 PWs) bands (ev): -21.6224 -21.6224 -21.5893 -21.5893 -11.5536 -11.5536 -11.4878 -11.4878 -6.7272 -6.7272 -6.5529 -6.5529 -4.8925 -4.8925 -4.5923 -4.5923 -4.2250 -4.2250 -4.0549 -4.0549 -4.0196 -4.0196 -3.8894 -3.8894 -1.6713 -1.6713 -1.6035 -1.6035 -1.4285 -1.4285 -1.3518 -1.3518 -0.7824 -0.7824 -0.6773 -0.6773 -0.5721 -0.5721 -0.3700 -0.3700 -0.2442 -0.2442 0.6283 0.6283 0.6954 0.6954 1.1747 1.1747 1.2716 1.2716 1.4595 1.4595 1.7199 1.7199 2.3638 2.3638 5.6718 5.6718 5.9956 5.9956 6.0364 6.0364 6.2002 6.2002 7.2042 7.2042 8.0655 8.0655 k =-0.3859 0.5844-0.0000 ( 6508 PWs) bands (ev): -21.6221 -21.6221 -21.5890 -21.5890 -11.5497 -11.5497 -11.4864 -11.4864 -6.7256 -6.7256 -6.5545 -6.5545 -4.8897 -4.8897 -4.5902 -4.5902 -4.2211 -4.2211 -4.0617 -4.0617 -4.0260 -4.0260 -3.8879 -3.8879 -1.6724 -1.6724 -1.6040 -1.6040 -1.4328 -1.4328 -1.3537 -1.3537 -0.7749 -0.7749 -0.6659 -0.6659 -0.5626 -0.5626 -0.3602 -0.3602 -0.2379 -0.2379 0.6143 0.6143 0.6921 0.6921 1.1728 1.1728 1.2629 1.2629 1.4510 1.4510 1.7052 1.7052 2.3456 2.3456 5.6524 5.6524 5.9902 5.9902 6.0125 6.0125 6.1831 6.1831 7.2194 7.2194 8.0346 8.0346 k =-0.3795 0.6100-0.0000 ( 6508 PWs) bands (ev): -21.6218 -21.6218 -21.5887 -21.5887 -11.5458 -11.5458 -11.4850 -11.4850 -6.7239 -6.7239 -6.5562 -6.5562 -4.8869 -4.8869 -4.5880 -4.5880 -4.2172 -4.2172 -4.0686 -4.0686 -4.0324 -4.0324 -3.8865 -3.8865 -1.6735 -1.6735 -1.6051 -1.6051 -1.4376 -1.4376 -1.3556 -1.3556 -0.7677 -0.7677 -0.6558 -0.6558 -0.5498 -0.5498 -0.3508 -0.3508 -0.2303 -0.2303 0.5983 0.5983 0.6909 0.6909 1.1651 1.1651 1.2601 1.2601 1.4423 1.4423 1.6906 1.6906 2.3255 2.3255 5.6308 5.6308 5.9774 5.9774 5.9965 5.9965 6.1671 6.1671 7.2351 7.2351 8.0000 8.0000 k =-0.3732 0.6356-0.0000 ( 6498 PWs) bands (ev): -21.6215 -21.6215 -21.5885 -21.5885 -11.5417 -11.5417 -11.4837 -11.4837 -6.7223 -6.7223 -6.5580 -6.5580 -4.8838 -4.8838 -4.5858 -4.5858 -4.2132 -4.2132 -4.0755 -4.0755 -4.0388 -4.0388 -3.8851 -3.8851 -1.6746 -1.6746 -1.6067 -1.6067 -1.4427 -1.4427 -1.3576 -1.3576 -0.7607 -0.7607 -0.6476 -0.6476 -0.5337 -0.5337 -0.3420 -0.3420 -0.2214 -0.2214 0.5812 0.5812 0.6912 0.6912 1.1527 1.1527 1.2624 1.2624 1.4337 1.4337 1.6763 1.6763 2.3035 2.3035 5.6077 5.6077 5.9506 5.9506 5.9948 5.9948 6.1522 6.1522 7.2515 7.2515 7.9622 7.9622 k =-0.3668 0.6612-0.0000 ( 6508 PWs) bands (ev): -21.6213 -21.6213 -21.5882 -21.5882 -11.5376 -11.5376 -11.4824 -11.4824 -6.7206 -6.7206 -6.5599 -6.5599 -4.8806 -4.8806 -4.5836 -4.5836 -4.2093 -4.2093 -4.0824 -4.0824 -4.0451 -4.0451 -3.8837 -3.8837 -1.6757 -1.6757 -1.6089 -1.6089 -1.4478 -1.4478 -1.3596 -1.3596 -0.7542 -0.7542 -0.6413 -0.6413 -0.5145 -0.5145 -0.3336 -0.3336 -0.2110 -0.2110 0.5633 0.5633 0.6926 0.6926 1.1374 1.1374 1.2678 1.2678 1.4251 1.4251 1.6623 1.6623 2.2795 2.2795 5.5838 5.5838 5.9202 5.9202 5.9967 5.9967 6.1381 6.1381 7.2686 7.2686 7.9218 7.9218 k =-0.3605 0.6867-0.0000 ( 6512 PWs) bands (ev): -21.6210 -21.6210 -21.5879 -21.5879 -11.5335 -11.5335 -11.4812 -11.4812 -6.7189 -6.7189 -6.5620 -6.5620 -4.8773 -4.8773 -4.5813 -4.5813 -4.2053 -4.2053 -4.0892 -4.0892 -4.0514 -4.0514 -3.8824 -3.8824 -1.6767 -1.6767 -1.6118 -1.6118 -1.4528 -1.4528 -1.3619 -1.3619 -0.7479 -0.7479 -0.6365 -0.6365 -0.4930 -0.4930 -0.3258 -0.3258 -0.1990 -0.1990 0.5450 0.5450 0.6948 0.6948 1.1208 1.1208 1.2751 1.2751 1.4166 1.4166 1.6486 1.6486 2.2536 2.2536 5.5597 5.5597 5.8884 5.8884 6.0002 6.0002 6.1246 6.1246 7.2863 7.2863 7.8793 7.8793 k =-0.3541 0.7123-0.0000 ( 6530 PWs) bands (ev): -21.6207 -21.6207 -21.5877 -21.5877 -11.5294 -11.5294 -11.4800 -11.4800 -6.7172 -6.7172 -6.5641 -6.5641 -4.8739 -4.8739 -4.5790 -4.5790 -4.2013 -4.2013 -4.0959 -4.0959 -4.0575 -4.0575 -3.8812 -3.8812 -1.6777 -1.6777 -1.6152 -1.6152 -1.4575 -1.4575 -1.3644 -1.3644 -0.7419 -0.7419 -0.6330 -0.6330 -0.4702 -0.4702 -0.3184 -0.3184 -0.1852 -0.1852 0.5264 0.5264 0.6978 0.6978 1.1038 1.1038 1.2833 1.2833 1.4085 1.4085 1.6355 1.6355 2.2257 2.2257 5.5362 5.5362 5.8557 5.8557 6.0048 6.0048 6.1116 6.1116 7.3045 7.3045 7.8353 7.8353 k =-0.3478 0.7379-0.0000 ( 6536 PWs) bands (ev): -21.6204 -21.6204 -21.5874 -21.5874 -11.5252 -11.5252 -11.4790 -11.4790 -6.7155 -6.7155 -6.5664 -6.5664 -4.8703 -4.8703 -4.5768 -4.5768 -4.1974 -4.1974 -4.1025 -4.1025 -4.0634 -4.0634 -3.8801 -3.8801 -1.6786 -1.6786 -1.6193 -1.6193 -1.4617 -1.4617 -1.3672 -1.3672 -0.7363 -0.7363 -0.6304 -0.6304 -0.4469 -0.4469 -0.3112 -0.3112 -0.1697 -0.1697 0.5076 0.5076 0.7017 0.7017 1.0867 1.0867 1.2922 1.2922 1.4007 1.4007 1.6228 1.6228 2.1960 2.1960 5.5136 5.5136 5.8225 5.8225 6.0101 6.0101 6.0990 6.0990 7.3235 7.3235 7.7904 7.7904 k =-0.3415 0.7635-0.0000 ( 6528 PWs) bands (ev): -21.6202 -21.6202 -21.5872 -21.5872 -11.5211 -11.5211 -11.4780 -11.4780 -6.7139 -6.7139 -6.5687 -6.5687 -4.8666 -4.8666 -4.5745 -4.5745 -4.1935 -4.1935 -4.1089 -4.1089 -4.0690 -4.0690 -3.8790 -3.8790 -1.6794 -1.6794 -1.6239 -1.6239 -1.4654 -1.4654 -1.3703 -1.3703 -0.7309 -0.7309 -0.6286 -0.6286 -0.4241 -0.4241 -0.3042 -0.3042 -0.1522 -0.1522 0.4887 0.4887 0.7065 0.7065 1.0700 1.0700 1.3013 1.3013 1.3935 1.3935 1.6108 1.6108 2.1645 2.1645 5.4924 5.4924 5.7891 5.7891 6.0159 6.0159 6.0867 6.0867 7.3430 7.3430 7.7452 7.7452 k =-0.3351 0.7891-0.0000 ( 6524 PWs) bands (ev): -21.6199 -21.6199 -21.5870 -21.5870 -11.5171 -11.5171 -11.4772 -11.4772 -6.7123 -6.7123 -6.5712 -6.5712 -4.8628 -4.8628 -4.5723 -4.5723 -4.1898 -4.1898 -4.1151 -4.1151 -4.0744 -4.0744 -3.8781 -3.8781 -1.6802 -1.6802 -1.6290 -1.6290 -1.4684 -1.4684 -1.3736 -1.3736 -0.7259 -0.7259 -0.6274 -0.6274 -0.4025 -0.4025 -0.2972 -0.2972 -0.1326 -0.1326 0.4696 0.4696 0.7122 0.7122 1.0536 1.0536 1.3106 1.3106 1.3870 1.3870 1.5994 1.5994 2.1314 2.1314 5.4729 5.4729 5.7557 5.7557 6.0220 6.0220 6.0746 6.0746 7.3632 7.3632 7.7000 7.7000 k =-0.3288 0.8146-0.0000 ( 6528 PWs) bands (ev): -21.6197 -21.6197 -21.5867 -21.5867 -11.5131 -11.5131 -11.4765 -11.4765 -6.7108 -6.7108 -6.5738 -6.5738 -4.8588 -4.8588 -4.5701 -4.5701 -4.1862 -4.1862 -4.1211 -4.1211 -4.0795 -4.0795 -3.8774 -3.8774 -1.6808 -1.6808 -1.6345 -1.6345 -1.4707 -1.4707 -1.3772 -1.3772 -0.7211 -0.7211 -0.6267 -0.6267 -0.3827 -0.3827 -0.2903 -0.2903 -0.1108 -0.1108 0.4505 0.4505 0.7189 0.7189 1.0376 1.0376 1.3200 1.3200 1.3813 1.3813 1.5887 1.5887 2.0968 2.0968 5.4554 5.4554 5.7226 5.7226 6.0284 6.0284 6.0627 6.0627 7.3840 7.3840 7.6554 7.6554 k =-0.3224 0.8402-0.0000 ( 6524 PWs) bands (ev): -21.6194 -21.6194 -21.5865 -21.5865 -11.5091 -11.5091 -11.4760 -11.4760 -6.7093 -6.7093 -6.5764 -6.5764 -4.8547 -4.8547 -4.5679 -4.5679 -4.1827 -4.1827 -4.1267 -4.1267 -4.0842 -4.0842 -3.8768 -3.8768 -1.6813 -1.6813 -1.6403 -1.6403 -1.4722 -1.4722 -1.3811 -1.3811 -0.7166 -0.7166 -0.6264 -0.6264 -0.3652 -0.3652 -0.2834 -0.2834 -0.0870 -0.0870 0.4312 0.4312 0.7267 0.7267 1.0222 1.0222 1.3292 1.3292 1.3766 1.3766 1.5789 1.5789 2.0608 2.0608 5.4403 5.4403 5.6901 5.6901 6.0350 6.0350 6.0511 6.0511 7.4055 7.4055 7.6117 7.6117 k =-0.3161 0.8658-0.0000 ( 6518 PWs) bands (ev): -21.6192 -21.6192 -21.5863 -21.5863 -11.5053 -11.5053 -11.4756 -11.4756 -6.7078 -6.7078 -6.5792 -6.5792 -4.8505 -4.8505 -4.5658 -4.5658 -4.1795 -4.1795 -4.1320 -4.1320 -4.0884 -4.0884 -3.8764 -3.8764 -1.6818 -1.6818 -1.6462 -1.6462 -1.4730 -1.4730 -1.3851 -1.3851 -0.7125 -0.7125 -0.6266 -0.6266 -0.3502 -0.3502 -0.2766 -0.2766 -0.0612 -0.0612 0.4117 0.4117 0.7357 0.7357 1.0072 1.0072 1.3382 1.3382 1.3730 1.3730 1.5701 1.5701 2.0238 2.0238 5.4276 5.4276 5.6583 5.6583 6.0383 6.0383 6.0430 6.0430 7.4273 7.4273 7.5695 7.5695 k =-0.3098 0.8914-0.0000 ( 6520 PWs) bands (ev): -21.6190 -21.6190 -21.5861 -21.5861 -11.5016 -11.5016 -11.4754 -11.4754 -6.7065 -6.7065 -6.5821 -6.5821 -4.8462 -4.8462 -4.5638 -4.5638 -4.1766 -4.1766 -4.1370 -4.1370 -4.0922 -4.0922 -3.8761 -3.8761 -1.6824 -1.6824 -1.6520 -1.6520 -1.4732 -1.4732 -1.3894 -1.3894 -0.7087 -0.7087 -0.6271 -0.6271 -0.3375 -0.3375 -0.2702 -0.2702 -0.0339 -0.0339 0.3921 0.3921 0.7459 0.7459 0.9926 0.9926 1.3465 1.3465 1.3709 1.3709 1.5624 1.5624 1.9859 1.9859 5.4176 5.4176 5.6274 5.6274 6.0277 6.0277 6.0492 6.0492 7.4490 7.4490 7.5295 7.5295 k =-0.3034 0.9170-0.0000 ( 6526 PWs) bands (ev): -21.6188 -21.6188 -21.5860 -21.5860 -11.4980 -11.4980 -11.4754 -11.4754 -6.7052 -6.7052 -6.5850 -6.5850 -4.8418 -4.8418 -4.5618 -4.5618 -4.1739 -4.1739 -4.1414 -4.1414 -4.0956 -4.0956 -3.8760 -3.8760 -1.6832 -1.6832 -1.6573 -1.6573 -1.4726 -1.4726 -1.3939 -1.3939 -0.7052 -0.7052 -0.6281 -0.6281 -0.3267 -0.3267 -0.2643 -0.2643 -0.0055 -0.0055 0.3722 0.3722 0.7573 0.7573 0.9784 0.9784 1.3536 1.3536 1.3709 1.3709 1.5562 1.5562 1.9475 1.9475 5.4103 5.4103 5.5976 5.5976 6.0165 6.0165 6.0563 6.0563 7.4647 7.4647 7.4981 7.4981 k =-0.2971 0.9425-0.0000 ( 6532 PWs) bands (ev): -21.6187 -21.6187 -21.5858 -21.5858 -11.4946 -11.4946 -11.4755 -11.4755 -6.7040 -6.7040 -6.5880 -6.5880 -4.8373 -4.8373 -4.5599 -4.5599 -4.1717 -4.1717 -4.1452 -4.1452 -4.0985 -4.0985 -3.8762 -3.8762 -1.6845 -1.6845 -1.6617 -1.6617 -1.4714 -1.4714 -1.3984 -1.3984 -0.7021 -0.7021 -0.6295 -0.6295 -0.3177 -0.3177 -0.2593 -0.2593 0.0235 0.0235 0.3521 0.3521 0.7700 0.7700 0.9644 0.9644 1.3582 1.3582 1.3739 1.3739 1.5518 1.5518 1.9089 1.9089 5.4058 5.4058 5.5692 5.5692 6.0053 6.0053 6.0636 6.0636 7.4439 7.4439 7.5056 7.5056 k =-0.2907 0.9681-0.0000 ( 6524 PWs) bands (ev): -21.6185 -21.6185 -21.5857 -21.5857 -11.4913 -11.4913 -11.4758 -11.4758 -6.7029 -6.7029 -6.5912 -6.5912 -4.8327 -4.8327 -4.5581 -4.5581 -4.1701 -4.1701 -4.1483 -4.1483 -4.1008 -4.1008 -3.8765 -3.8765 -1.6869 -1.6869 -1.6646 -1.6646 -1.4696 -1.4696 -1.4031 -1.4031 -0.6994 -0.6994 -0.6312 -0.6312 -0.3100 -0.3100 -0.2551 -0.2551 0.0527 0.0527 0.3316 0.3316 0.7837 0.7837 0.9507 0.9507 1.3608 1.3608 1.3793 1.3793 1.5497 1.5497 1.8705 1.8705 5.4040 5.4040 5.5423 5.5423 5.9942 5.9942 6.0710 6.0710 7.4100 7.4100 7.5291 7.5291 k =-0.2844 0.9937-0.0000 ( 6516 PWs) bands (ev): -21.6184 -21.6184 -21.5855 -21.5855 -11.4882 -11.4882 -11.4763 -11.4763 -6.7019 -6.7019 -6.5943 -6.5943 -4.8280 -4.8280 -4.5564 -4.5564 -4.1693 -4.1693 -4.1504 -4.1504 -4.1026 -4.1026 -3.8770 -3.8770 -1.6904 -1.6904 -1.6658 -1.6658 -1.4672 -1.4672 -1.4078 -1.4078 -0.6972 -0.6972 -0.6334 -0.6334 -0.3035 -0.3035 -0.2520 -0.2520 0.0816 0.0816 0.3107 0.3107 0.7985 0.7985 0.9370 0.9370 1.3626 1.3626 1.3854 1.3854 1.5503 1.5503 1.8327 1.8327 5.4050 5.4050 5.5173 5.5173 5.9833 5.9833 6.0787 6.0787 7.3766 7.3766 7.5550 7.5550 k =-0.2780 1.0193-0.0000 ( 6524 PWs) bands (ev): -21.6183 -21.6183 -21.5854 -21.5854 -11.4852 -11.4852 -11.4771 -11.4771 -6.7011 -6.7011 -6.5976 -6.5976 -4.8233 -4.8233 -4.5547 -4.5547 -4.1693 -4.1693 -4.1515 -4.1515 -4.1039 -4.1039 -3.8778 -3.8778 -1.6946 -1.6946 -1.6656 -1.6656 -1.4644 -1.4644 -1.4124 -1.4124 -0.6953 -0.6953 -0.6359 -0.6359 -0.2978 -0.2978 -0.2499 -0.2499 0.1098 0.1098 0.2894 0.2894 0.8140 0.8140 0.9235 0.9235 1.3644 1.3644 1.3909 1.3909 1.5544 1.5544 1.7959 1.7959 5.4084 5.4084 5.4944 5.4944 5.9725 5.9725 6.0866 6.0866 7.3448 7.3448 7.5823 7.5823 k =-0.2717 1.0449-0.0000 ( 6514 PWs) bands (ev): -21.6182 -21.6182 -21.5853 -21.5853 -11.4825 -11.4825 -11.4780 -11.4780 -6.7003 -6.7003 -6.6009 -6.6009 -4.8184 -4.8184 -4.5532 -4.5532 -4.1701 -4.1701 -4.1516 -4.1516 -4.1046 -4.1046 -3.8788 -3.8788 -1.6992 -1.6992 -1.6642 -1.6642 -1.4611 -1.4611 -1.4170 -1.4170 -0.6940 -0.6940 -0.6389 -0.6389 -0.2930 -0.2930 -0.2489 -0.2489 0.1372 0.1372 0.2675 0.2675 0.8301 0.8301 0.9100 0.9100 1.3662 1.3662 1.3954 1.3954 1.5624 1.5624 1.7607 1.7607 5.4139 5.4139 5.4744 5.4744 5.9618 5.9618 6.0947 6.0947 7.3150 7.3150 7.6108 7.6108 k =-0.2654 1.0704-0.0000 ( 6502 PWs) bands (ev): -21.6181 -21.6181 -21.5853 -21.5853 -11.4800 -11.4800 -11.4791 -11.4791 -6.6996 -6.6996 -6.6043 -6.6043 -4.8136 -4.8136 -4.5517 -4.5517 -4.1712 -4.1712 -4.1511 -4.1511 -4.1048 -4.1048 -3.8800 -3.8800 -1.7038 -1.7038 -1.6621 -1.6621 -1.4574 -1.4574 -1.4215 -1.4215 -0.6931 -0.6931 -0.6422 -0.6422 -0.2889 -0.2889 -0.2488 -0.2488 0.1634 0.1634 0.2449 0.2449 0.8463 0.8463 0.8966 0.8966 1.3675 1.3675 1.3988 1.3988 1.5748 1.5748 1.7273 1.7273 5.4196 5.4196 5.4589 5.4589 5.9513 5.9513 6.1032 6.1032 7.2873 7.2873 7.6405 7.6405 k =-0.2654 1.0704-0.0000 ( 6502 PWs) bands (ev): -21.6181 -21.6181 -21.5853 -21.5853 -11.4800 -11.4800 -11.4791 -11.4791 -6.6996 -6.6996 -6.6043 -6.6043 -4.8136 -4.8136 -4.5517 -4.5517 -4.1712 -4.1712 -4.1511 -4.1511 -4.1048 -4.1048 -3.8800 -3.8800 -1.7038 -1.7038 -1.6621 -1.6621 -1.4574 -1.4574 -1.4215 -1.4215 -0.6931 -0.6931 -0.6422 -0.6422 -0.2889 -0.2889 -0.2488 -0.2488 0.1634 0.1634 0.2449 0.2449 0.8463 0.8463 0.8966 0.8966 1.3675 1.3675 1.3988 1.3988 1.5748 1.5748 1.7273 1.7273 5.4196 5.4196 5.4589 5.4589 5.9513 5.9513 6.1032 6.1032 7.2873 7.2873 7.6405 7.6405 k =-0.2654 1.0704 0.0265 ( 6504 PWs) bands (ev): -21.6181 -21.6181 -21.5853 -21.5853 -11.4800 -11.4800 -11.4791 -11.4791 -6.6995 -6.6995 -6.6043 -6.6043 -4.8135 -4.8135 -4.5521 -4.5521 -4.1714 -4.1714 -4.1511 -4.1511 -4.1049 -4.1049 -3.8803 -3.8803 -1.7039 -1.7039 -1.6618 -1.6618 -1.4575 -1.4575 -1.4210 -1.4210 -0.6936 -0.6936 -0.6423 -0.6423 -0.2910 -0.2910 -0.2484 -0.2484 0.1637 0.1637 0.2466 0.2466 0.8443 0.8443 0.8981 0.8981 1.3652 1.3652 1.4020 1.4020 1.5750 1.5750 1.7284 1.7284 5.4186 5.4186 5.4582 5.4582 5.9523 5.9523 6.1034 6.1034 7.2883 7.2883 7.6406 7.6406 k =-0.2654 1.0704 0.0530 ( 6502 PWs) bands (ev): -21.6180 -21.6180 -21.5853 -21.5853 -11.4799 -11.4799 -11.4791 -11.4791 -6.6993 -6.6993 -6.6044 -6.6044 -4.8132 -4.8132 -4.5531 -4.5531 -4.1719 -4.1719 -4.1510 -4.1510 -4.1049 -4.1049 -3.8810 -3.8810 -1.7043 -1.7043 -1.6609 -1.6609 -1.4577 -1.4577 -1.4195 -1.4195 -0.6949 -0.6949 -0.6425 -0.6425 -0.2967 -0.2967 -0.2477 -0.2477 0.1648 0.1648 0.2516 0.2516 0.8389 0.8389 0.9021 0.9021 1.3603 1.3603 1.4097 1.4097 1.5758 1.5758 1.7317 1.7317 5.4155 5.4155 5.4561 5.4561 5.9552 5.9552 6.1043 6.1043 7.2914 7.2914 7.6408 7.6408 k =-0.2654 1.0704 0.0795 ( 6506 PWs) bands (ev): -21.6179 -21.6179 -21.5855 -21.5855 -11.4798 -11.4798 -11.4790 -11.4790 -6.6989 -6.6989 -6.6047 -6.6047 -4.8127 -4.8127 -4.5547 -4.5547 -4.1727 -4.1727 -4.1509 -4.1509 -4.1050 -4.1050 -3.8823 -3.8823 -1.7049 -1.7049 -1.6596 -1.6596 -1.4579 -1.4579 -1.4172 -1.4172 -0.6972 -0.6972 -0.6428 -0.6428 -0.3051 -0.3051 -0.2475 -0.2475 0.1668 0.1668 0.2595 0.2595 0.8313 0.8313 0.9071 0.9071 1.3551 1.3551 1.4195 1.4195 1.5773 1.5773 1.7371 1.7371 5.4105 5.4105 5.4525 5.4525 5.9600 5.9600 6.1057 6.1057 7.2965 7.2965 7.6412 7.6412 k =-0.2654 1.0704 0.1060 ( 6517 PWs) bands (ev): -21.6178 -21.6178 -21.5856 -21.5856 -11.4797 -11.4797 -11.4788 -11.4788 -6.6983 -6.6983 -6.6050 -6.6050 -4.8121 -4.8121 -4.5570 -4.5570 -4.1738 -4.1738 -4.1509 -4.1509 -4.1051 -4.1051 -3.8840 -3.8840 -1.7056 -1.7056 -1.6578 -1.6578 -1.4580 -1.4580 -1.4143 -1.4143 -0.7002 -0.7002 -0.6433 -0.6433 -0.3152 -0.3152 -0.2484 -0.2484 0.1699 0.1699 0.2697 0.2697 0.8225 0.8225 0.9122 0.9122 1.3505 1.3505 1.4302 1.4302 1.5797 1.5797 1.7444 1.7444 5.4036 5.4036 5.4475 5.4475 5.9665 5.9665 6.1077 6.1077 7.3036 7.3036 7.6417 7.6417 k =-0.2654 1.0704 0.1325 ( 6521 PWs) bands (ev): -21.6175 -21.6175 -21.5858 -21.5858 -11.4795 -11.4795 -11.4787 -11.4787 -6.6975 -6.6975 -6.6054 -6.6054 -4.8112 -4.8112 -4.5598 -4.5598 -4.1752 -4.1752 -4.1510 -4.1510 -4.1051 -4.1051 -3.8862 -3.8862 -1.7062 -1.7062 -1.6557 -1.6557 -1.4578 -1.4578 -1.4108 -1.4108 -0.7040 -0.7040 -0.6440 -0.6440 -0.3266 -0.3266 -0.2507 -0.2507 0.1744 0.1744 0.2819 0.2819 0.8131 0.8131 0.9168 0.9168 1.3472 1.3472 1.4411 1.4411 1.5833 1.5833 1.7535 1.7535 5.3950 5.3950 5.4410 5.4410 5.9747 5.9747 6.1103 6.1103 7.3126 7.3126 7.6424 7.6424 k =-0.2654 1.0704 0.1590 ( 6521 PWs) bands (ev): -21.6173 -21.6173 -21.5861 -21.5861 -11.4793 -11.4793 -11.4784 -11.4784 -6.6966 -6.6966 -6.6059 -6.6059 -4.8102 -4.8102 -4.5633 -4.5633 -4.1769 -4.1769 -4.1514 -4.1514 -4.1049 -4.1049 -3.8889 -3.8889 -1.7068 -1.7068 -1.6535 -1.6535 -1.4574 -1.4574 -1.4071 -1.4071 -0.7083 -0.7083 -0.6450 -0.6450 -0.3386 -0.3386 -0.2545 -0.2545 0.1803 0.1803 0.2954 0.2954 0.8033 0.8033 0.9206 0.9206 1.3453 1.3453 1.4516 1.4516 1.5885 1.5885 1.7642 1.7642 5.3849 5.3849 5.4331 5.4331 5.9844 5.9844 6.1136 6.1136 7.3234 7.3234 7.6434 7.6434 k =-0.2654 1.0704 0.1855 ( 6514 PWs) bands (ev): -21.6170 -21.6170 -21.5863 -21.5863 -11.4790 -11.4790 -11.4782 -11.4782 -6.6955 -6.6955 -6.6064 -6.6064 -4.8089 -4.8089 -4.5673 -4.5673 -4.1788 -4.1788 -4.1520 -4.1520 -4.1044 -4.1044 -3.8919 -3.8919 -1.7071 -1.7071 -1.6511 -1.6511 -1.4566 -1.4566 -1.4033 -1.4033 -0.7132 -0.7132 -0.6462 -0.6462 -0.3511 -0.3511 -0.2595 -0.2595 0.1874 0.1874 0.3101 0.3101 0.7935 0.7935 0.9234 0.9234 1.3449 1.3449 1.4615 1.4615 1.5956 1.5956 1.7764 1.7764 5.3733 5.3733 5.4237 5.4237 5.9954 5.9954 6.1175 6.1175 7.3359 7.3359 7.6447 7.6447 k =-0.2654 1.0704 0.2120 ( 6514 PWs) bands (ev): -21.6167 -21.6167 -21.5867 -21.5867 -11.4787 -11.4787 -11.4779 -11.4779 -6.6942 -6.6942 -6.6071 -6.6071 -4.8075 -4.8075 -4.5718 -4.5718 -4.1810 -4.1810 -4.1530 -4.1530 -4.1036 -4.1036 -3.8954 -3.8954 -1.7072 -1.7072 -1.6487 -1.6487 -1.4554 -1.4554 -1.3994 -1.3994 -0.7185 -0.7185 -0.6476 -0.6476 -0.3636 -0.3636 -0.2657 -0.2657 0.1958 0.1958 0.3255 0.3255 0.7836 0.7836 0.9249 0.9249 1.3460 1.3460 1.4704 1.4704 1.6048 1.6048 1.7898 1.7898 5.3605 5.3605 5.4128 5.4128 6.0075 6.0075 6.1221 6.1221 7.3501 7.3501 7.6462 7.6462 k =-0.2654 1.0704 0.2385 ( 6518 PWs) bands (ev): -21.6163 -21.6163 -21.5870 -21.5870 -11.4784 -11.4784 -11.4776 -11.4776 -6.6928 -6.6928 -6.6078 -6.6078 -4.8058 -4.8058 -4.5767 -4.5767 -4.1833 -4.1833 -4.1543 -4.1543 -4.1024 -4.1024 -3.8993 -3.8993 -1.7069 -1.7069 -1.6462 -1.6462 -1.4539 -1.4539 -1.3957 -1.3957 -0.7240 -0.7240 -0.6494 -0.6494 -0.3760 -0.3760 -0.2729 -0.2729 0.2052 0.2052 0.3413 0.3413 0.7740 0.7740 0.9251 0.9251 1.3485 1.3485 1.4781 1.4781 1.6163 1.6163 1.8043 1.8043 5.3465 5.3465 5.4006 5.4006 6.0206 6.0206 6.1274 6.1274 7.3659 7.3659 7.6482 7.6482 k =-0.2654 1.0704 0.2650 ( 6520 PWs) bands (ev): -21.6159 -21.6159 -21.5874 -21.5874 -11.4781 -11.4781 -11.4773 -11.4773 -6.6913 -6.6913 -6.6087 -6.6087 -4.8040 -4.8040 -4.5821 -4.5821 -4.1859 -4.1859 -4.1561 -4.1561 -4.1007 -4.1007 -3.9035 -3.9035 -1.7063 -1.7063 -1.6438 -1.6438 -1.4521 -1.4521 -1.3922 -1.3922 -0.7297 -0.7297 -0.6514 -0.6514 -0.3881 -0.3881 -0.2808 -0.2808 0.2154 0.2154 0.3573 0.3573 0.7645 0.7645 0.9241 0.9241 1.3524 1.3524 1.4845 1.4845 1.6302 1.6302 1.8197 1.8197 5.3315 5.3315 5.3870 5.3870 6.0345 6.0345 6.1333 6.1333 7.3830 7.3830 7.6505 7.6505 k =-0.2654 1.0704 0.2915 ( 6526 PWs) bands (ev): -21.6154 -21.6154 -21.5879 -21.5879 -11.4777 -11.4777 -11.4770 -11.4770 -6.6896 -6.6896 -6.6096 -6.6096 -4.8019 -4.8019 -4.5878 -4.5878 -4.1885 -4.1885 -4.1583 -4.1583 -4.0987 -4.0987 -3.9081 -3.9081 -1.7053 -1.7053 -1.6414 -1.6414 -1.4501 -1.4501 -1.3891 -1.3891 -0.7354 -0.7354 -0.6537 -0.6537 -0.3997 -0.3997 -0.2892 -0.2892 0.2263 0.2263 0.3733 0.3733 0.7553 0.7553 0.9218 0.9218 1.3574 1.3574 1.4899 1.4899 1.6461 1.6461 1.8358 1.8358 5.3156 5.3156 5.3723 5.3723 6.0490 6.0490 6.1398 6.1398 7.4015 7.4015 7.6533 7.6533 k =-0.2654 1.0704 0.3180 ( 6529 PWs) bands (ev): -21.6149 -21.6149 -21.5883 -21.5883 -11.4773 -11.4773 -11.4766 -11.4766 -6.6878 -6.6878 -6.6106 -6.6106 -4.7997 -4.7997 -4.5939 -4.5939 -4.1914 -4.1914 -4.1608 -4.1608 -4.0963 -4.0963 -3.9130 -3.9130 -1.7039 -1.7039 -1.6391 -1.6391 -1.4480 -1.4480 -1.3863 -1.3863 -0.7411 -0.7411 -0.6563 -0.6563 -0.4106 -0.4106 -0.2980 -0.2980 0.2377 0.2377 0.3890 0.3890 0.7466 0.7466 0.9185 0.9185 1.3634 1.3634 1.4943 1.4943 1.6638 1.6638 1.8524 1.8524 5.2990 5.2990 5.3566 5.3566 6.0640 6.0640 6.1470 6.1470 7.4212 7.4212 7.6567 7.6567 k =-0.2654 1.0704 0.3445 ( 6527 PWs) bands (ev): -21.6144 -21.6144 -21.5889 -21.5889 -11.4770 -11.4770 -11.4763 -11.4763 -6.6859 -6.6859 -6.6118 -6.6118 -4.7972 -4.7972 -4.6003 -4.6003 -4.1943 -4.1943 -4.1635 -4.1635 -4.0936 -4.0936 -3.9181 -3.9181 -1.7021 -1.7021 -1.6368 -1.6368 -1.4458 -1.4458 -1.3840 -1.3840 -0.7466 -0.7466 -0.6591 -0.6591 -0.4208 -0.4208 -0.3071 -0.3071 0.2496 0.2496 0.4043 0.4043 0.7383 0.7383 0.9141 0.9141 1.3702 1.3702 1.4979 1.4979 1.6830 1.6830 1.8693 1.8693 5.2819 5.2819 5.3399 5.3399 6.0793 6.0793 6.1546 6.1546 7.4420 7.4420 7.6606 7.6606 k =-0.2654 1.0704 0.3710 ( 6533 PWs) bands (ev): -21.6138 -21.6138 -21.5894 -21.5894 -11.4766 -11.4766 -11.4759 -11.4759 -6.6838 -6.6838 -6.6130 -6.6130 -4.7946 -4.7946 -4.6069 -4.6069 -4.1973 -4.1973 -4.1665 -4.1665 -4.0906 -4.0906 -3.9234 -3.9234 -1.6999 -1.6999 -1.6345 -1.6345 -1.4436 -1.4436 -1.3822 -1.3822 -0.7518 -0.7518 -0.6622 -0.6622 -0.4301 -0.4301 -0.3163 -0.3163 0.2617 0.2617 0.4190 0.4190 0.7305 0.7305 0.9087 0.9087 1.3777 1.3777 1.5010 1.5010 1.7035 1.7035 1.8863 1.8863 5.2642 5.2642 5.3225 5.3225 6.0946 6.0946 6.1626 6.1626 7.4637 7.4637 7.6651 7.6651 k =-0.2654 1.0704 0.3975 ( 6526 PWs) bands (ev): -21.6132 -21.6132 -21.5900 -21.5900 -11.4762 -11.4762 -11.4755 -11.4755 -6.6817 -6.6817 -6.6142 -6.6142 -4.7917 -4.7917 -4.6137 -4.6137 -4.2003 -4.2003 -4.1697 -4.1697 -4.0872 -4.0872 -3.9290 -3.9290 -1.6973 -1.6973 -1.6323 -1.6323 -1.4415 -1.4415 -1.3809 -1.3809 -0.7566 -0.7566 -0.6655 -0.6655 -0.4385 -0.4385 -0.3256 -0.3256 0.2740 0.2740 0.4328 0.4328 0.7235 0.7235 0.9026 0.9026 1.3855 1.3855 1.5036 1.5036 1.7250 1.7250 1.9032 1.9032 5.2463 5.2463 5.3045 5.3045 6.1100 6.1100 6.1710 6.1710 7.4862 7.4862 7.6703 7.6703 k =-0.2654 1.0704 0.4240 ( 6530 PWs) bands (ev): -21.6126 -21.6126 -21.5906 -21.5906 -11.4758 -11.4758 -11.4752 -11.4752 -6.6795 -6.6795 -6.6156 -6.6156 -4.7886 -4.7886 -4.6207 -4.6207 -4.2033 -4.2033 -4.1729 -4.1729 -4.0837 -4.0837 -3.9347 -3.9347 -1.6944 -1.6944 -1.6302 -1.6302 -1.4395 -1.4395 -1.3802 -1.3802 -0.7610 -0.7610 -0.6691 -0.6691 -0.4460 -0.4460 -0.3347 -0.3347 0.2865 0.2865 0.4456 0.4456 0.7172 0.7172 0.8958 0.8958 1.3935 1.3935 1.5058 1.5058 1.7471 1.7471 1.9199 1.9199 5.2282 5.2282 5.2862 5.2862 6.1252 6.1252 6.1796 6.1796 7.5095 7.5095 7.6761 7.6761 k =-0.2654 1.0704 0.4505 ( 6522 PWs) bands (ev): -21.6119 -21.6119 -21.5912 -21.5912 -11.4753 -11.4753 -11.4748 -11.4748 -6.6771 -6.6771 -6.6171 -6.6171 -4.7852 -4.7852 -4.6279 -4.6279 -4.2063 -4.2063 -4.1762 -4.1762 -4.0799 -4.0799 -3.9405 -3.9405 -1.6911 -1.6911 -1.6282 -1.6282 -1.4377 -1.4377 -1.3801 -1.3801 -0.7647 -0.7647 -0.6728 -0.6728 -0.4523 -0.4523 -0.3438 -0.3438 0.2990 0.2990 0.4571 0.4571 0.7119 0.7119 0.8883 0.8883 1.4017 1.4017 1.5077 1.5077 1.7697 1.7697 1.9360 1.9360 5.2101 5.2101 5.2677 5.2677 6.1400 6.1400 6.1882 6.1882 7.5333 7.5333 7.6828 7.6828 k =-0.2654 1.0704 0.4770 ( 6512 PWs) bands (ev): -21.6112 -21.6112 -21.5919 -21.5919 -11.4750 -11.4750 -11.4744 -11.4744 -6.6748 -6.6748 -6.6187 -6.6187 -4.7817 -4.7817 -4.6351 -4.6351 -4.2093 -4.2093 -4.1795 -4.1795 -4.0759 -4.0759 -3.9465 -3.9465 -1.6875 -1.6875 -1.6263 -1.6263 -1.4360 -1.4360 -1.3806 -1.3806 -0.7679 -0.7679 -0.6768 -0.6768 -0.4576 -0.4576 -0.3527 -0.3527 0.3115 0.3115 0.4672 0.4672 0.7078 0.7078 0.8804 0.8804 1.4097 1.4097 1.5094 1.5094 1.7924 1.7924 1.9514 1.9514 5.1922 5.1922 5.2494 5.2494 6.1544 6.1544 6.1969 6.1969 7.5574 7.5574 7.6902 7.6902 k =-0.2654 1.0704 0.5034 ( 6508 PWs) bands (ev): -21.6105 -21.6105 -21.5926 -21.5926 -11.4746 -11.4746 -11.4741 -11.4741 -6.6723 -6.6723 -6.6204 -6.6204 -4.7779 -4.7779 -4.6423 -4.6423 -4.2121 -4.2121 -4.1826 -4.1826 -4.0718 -4.0718 -3.9525 -3.9525 -1.6836 -1.6836 -1.6246 -1.6246 -1.4345 -1.4345 -1.3816 -1.3816 -0.7705 -0.7705 -0.6809 -0.6809 -0.4619 -0.4619 -0.3615 -0.3615 0.3240 0.3240 0.4755 0.4755 0.7049 0.7049 0.8720 0.8720 1.4176 1.4176 1.5108 1.5108 1.8151 1.8151 1.9660 1.9660 5.1747 5.1747 5.2315 5.2315 6.1682 6.1682 6.2055 6.2055 7.5817 7.5817 7.6983 7.6983 k =-0.2654 1.0704 0.5299 ( 6511 PWs) bands (ev): -21.6097 -21.6097 -21.5933 -21.5933 -11.4742 -11.4742 -11.4737 -11.4737 -6.6698 -6.6698 -6.6221 -6.6221 -4.7739 -4.7739 -4.6496 -4.6496 -4.2148 -4.2148 -4.1857 -4.1857 -4.0676 -4.0676 -3.9586 -3.9586 -1.6796 -1.6796 -1.6230 -1.6230 -1.4332 -1.4332 -1.3831 -1.3831 -0.7723 -0.7723 -0.6852 -0.6852 -0.4650 -0.4650 -0.3700 -0.3700 0.3364 0.3364 0.4820 0.4820 0.7036 0.7036 0.8632 0.8632 1.4253 1.4253 1.5120 1.5120 1.8375 1.8375 1.9794 1.9794 5.1577 5.1577 5.2141 5.2141 6.1813 6.1813 6.2137 6.2137 7.6059 7.6059 7.7073 7.7073 k =-0.2654 1.0704 0.5564 ( 6519 PWs) bands (ev): -21.6090 -21.6090 -21.5941 -21.5941 -11.4739 -11.4739 -11.4734 -11.4734 -6.6673 -6.6673 -6.6239 -6.6239 -4.7698 -4.7698 -4.6569 -4.6569 -4.2174 -4.2174 -4.1886 -4.1886 -4.0632 -4.0632 -3.9647 -3.9647 -1.6753 -1.6753 -1.6218 -1.6218 -1.4320 -1.4320 -1.3850 -1.3850 -0.7736 -0.7736 -0.6897 -0.6897 -0.4672 -0.4672 -0.3783 -0.3783 0.3486 0.3486 0.4865 0.4865 0.7038 0.7038 0.8541 0.8541 1.4325 1.4325 1.5130 1.5130 1.8593 1.8593 1.9915 1.9915 5.1415 5.1415 5.1976 5.1976 6.1936 6.1936 6.2216 6.2216 7.6297 7.6297 7.7171 7.7171 k =-0.2654 1.0704 0.5829 ( 6523 PWs) bands (ev): -21.6082 -21.6082 -21.5948 -21.5948 -11.4735 -11.4735 -11.4732 -11.4732 -6.6647 -6.6647 -6.6259 -6.6259 -4.7654 -4.7654 -4.6642 -4.6642 -4.2198 -4.2198 -4.1912 -4.1912 -4.0586 -4.0586 -3.9709 -3.9709 -1.6709 -1.6709 -1.6208 -1.6208 -1.4309 -1.4309 -1.3874 -1.3874 -0.7741 -0.7741 -0.6941 -0.6941 -0.4683 -0.4683 -0.3863 -0.3863 0.3607 0.3607 0.4890 0.4890 0.7056 0.7056 0.8448 0.8448 1.4393 1.4393 1.5138 1.5138 1.8803 1.8803 2.0022 2.0022 5.1262 5.1262 5.1821 5.1821 6.2049 6.2049 6.2290 6.2290 7.6527 7.6527 7.7277 7.7277 k =-0.2654 1.0704 0.6094 ( 6513 PWs) bands (ev): -21.6074 -21.6074 -21.5956 -21.5956 -11.4732 -11.4732 -11.4729 -11.4729 -6.6621 -6.6621 -6.6279 -6.6279 -4.7608 -4.7608 -4.6713 -4.6713 -4.2220 -4.2220 -4.1937 -4.1937 -4.0539 -4.0539 -3.9770 -3.9770 -1.6665 -1.6665 -1.6201 -1.6201 -1.4297 -1.4297 -1.3901 -1.3901 -0.7741 -0.7741 -0.6986 -0.6986 -0.4685 -0.4685 -0.3940 -0.3940 0.3727 0.3727 0.4894 0.4894 0.7089 0.7089 0.8352 0.8352 1.4456 1.4456 1.5143 1.5143 1.9003 1.9003 2.0113 2.0113 5.1121 5.1121 5.1678 5.1678 6.2152 6.2152 6.2358 6.2358 7.6746 7.6746 7.7389 7.7389 k =-0.2654 1.0704 0.6359 ( 6517 PWs) bands (ev): -21.6066 -21.6066 -21.5964 -21.5964 -11.4730 -11.4730 -11.4727 -11.4727 -6.6595 -6.6595 -6.6300 -6.6300 -4.7560 -4.7560 -4.6784 -4.6784 -4.2239 -4.2239 -4.1959 -4.1959 -4.0492 -4.0492 -3.9830 -3.9830 -1.6621 -1.6621 -1.6198 -1.6198 -1.4285 -1.4285 -1.3931 -1.3931 -0.7736 -0.7736 -0.7030 -0.7030 -0.4679 -0.4679 -0.4014 -0.4014 0.3843 0.3843 0.4880 0.4880 0.7137 0.7137 0.8256 0.8256 1.4512 1.4512 1.5147 1.5147 1.9189 1.9189 2.0187 2.0187 5.0994 5.0994 5.1550 5.1550 6.2243 6.2243 6.2418 6.2418 7.6947 7.6947 7.7504 7.7504 k =-0.2654 1.0704 0.6624 ( 6523 PWs) bands (ev): -21.6057 -21.6057 -21.5972 -21.5972 -11.4727 -11.4727 -11.4725 -11.4725 -6.6568 -6.6568 -6.6321 -6.6321 -4.7510 -4.7510 -4.6853 -4.6853 -4.2256 -4.2256 -4.1977 -4.1977 -4.0442 -4.0442 -3.9891 -3.9891 -1.6579 -1.6579 -1.6199 -1.6199 -1.4271 -1.4271 -1.3963 -1.3963 -0.7727 -0.7727 -0.7072 -0.7072 -0.4665 -0.4665 -0.4084 -0.4084 0.3957 0.3957 0.4849 0.4849 0.7197 0.7197 0.8158 0.8158 1.4562 1.4562 1.5148 1.5148 1.9358 1.9358 2.0243 2.0243 5.0883 5.0883 5.1439 5.1439 6.2323 6.2323 6.2470 6.2470 7.7128 7.7128 7.7618 7.7618 k =-0.2654 1.0704 0.6889 ( 6529 PWs) bands (ev): -21.6049 -21.6049 -21.5981 -21.5981 -11.4725 -11.4725 -11.4723 -11.4723 -6.6542 -6.6542 -6.6344 -6.6344 -4.7460 -4.7460 -4.6920 -4.6920 -4.2270 -4.2270 -4.1993 -4.1993 -4.0392 -4.0392 -3.9950 -3.9950 -1.6539 -1.6539 -1.6203 -1.6203 -1.4256 -1.4256 -1.3995 -1.3995 -0.7715 -0.7715 -0.7111 -0.7111 -0.4646 -0.4646 -0.4149 -0.4149 0.4067 0.4067 0.4804 0.4804 0.7266 0.7266 0.8061 0.8061 1.4605 1.4605 1.5149 1.5149 1.9509 1.9509 2.0283 2.0283 5.0789 5.0789 5.1345 5.1345 6.2390 6.2390 6.2513 6.2513 7.7286 7.7286 7.7723 7.7723 k =-0.2654 1.0704 0.7154 ( 6525 PWs) bands (ev): -21.6041 -21.6041 -21.5989 -21.5989 -11.4724 -11.4724 -11.4722 -11.4722 -6.6516 -6.6516 -6.6367 -6.6367 -4.7409 -4.7409 -4.6983 -4.6983 -4.2282 -4.2282 -4.2005 -4.2005 -4.0341 -4.0341 -4.0009 -4.0009 -1.6504 -1.6504 -1.6210 -1.6210 -1.4239 -1.4239 -1.4026 -1.4026 -0.7702 -0.7702 -0.7145 -0.7145 -0.4622 -0.4622 -0.4207 -0.4207 0.4173 0.4173 0.4747 0.4747 0.7342 0.7342 0.7965 0.7965 1.4639 1.4639 1.5148 1.5148 1.9635 1.9635 2.0306 2.0307 5.0714 5.0714 5.1271 5.1271 6.2443 6.2443 6.2547 6.2547 7.7418 7.7418 7.7811 7.7811 k =-0.2654 1.0704 0.7419 ( 6532 PWs) bands (ev): -21.6032 -21.6032 -21.5998 -21.5998 -11.4723 -11.4723 -11.4721 -11.4721 -6.6490 -6.6490 -6.6390 -6.6390 -4.7361 -4.7361 -4.7041 -4.7041 -4.2290 -4.2290 -4.2014 -4.2014 -4.0288 -4.0288 -4.0067 -4.0067 -1.6475 -1.6475 -1.6218 -1.6218 -1.4222 -1.4222 -1.4054 -1.4054 -0.7690 -0.7690 -0.7171 -0.7171 -0.4597 -0.4597 -0.4256 -0.4256 0.4270 0.4270 0.4683 0.4683 0.7420 0.7420 0.7874 0.7874 1.4664 1.4664 1.5147 1.5147 1.9734 1.9734 2.0317 2.0317 5.0660 5.0660 5.1217 5.1217 6.2482 6.2482 6.2571 6.2571 7.7521 7.7521 7.7874 7.7874 k =-0.2654 1.0704 0.7684 ( 6528 PWs) bands (ev): -21.6023 -21.6023 -21.6006 -21.6006 -11.4722 -11.4722 -11.4721 -11.4721 -6.6465 -6.6465 -6.6414 -6.6414 -4.7320 -4.7320 -4.7087 -4.7087 -4.2295 -4.2295 -4.2020 -4.2020 -4.0235 -4.0235 -4.0123 -4.0123 -1.6456 -1.6456 -1.6224 -1.6224 -1.4207 -1.4207 -1.4076 -1.4076 -0.7682 -0.7682 -0.7188 -0.7188 -0.4577 -0.4577 -0.4291 -0.4291 0.4353 0.4353 0.4620 0.4620 0.7491 0.7491 0.7797 0.7797 1.4680 1.4680 1.5146 1.5146 1.9797 1.9797 2.0320 2.0320 5.0627 5.0627 5.1185 5.1185 6.2505 6.2505 6.2585 6.2585 7.7587 7.7587 7.7909 7.7909 k =-0.2654 1.0704 0.7949 ( 6522 PWs) bands (ev): -21.6015 -21.6015 -21.6015 -21.6015 -11.4722 -11.4722 -11.4720 -11.4720 -6.6445 -6.6445 -6.6434 -6.6434 -4.7302 -4.7302 -4.7107 -4.7107 -4.2296 -4.2296 -4.2022 -4.2022 -4.0185 -4.0185 -4.0174 -4.0174 -1.6449 -1.6449 -1.6227 -1.6227 -1.4201 -1.4201 -1.4084 -1.4084 -0.7679 -0.7679 -0.7194 -0.7194 -0.4569 -0.4569 -0.4304 -0.4304 0.4393 0.4393 0.4586 0.4586 0.7524 0.7524 0.7760 0.7760 1.4685 1.4685 1.5146 1.5146 1.9819 1.9819 2.0320 2.0320 5.0616 5.0616 5.1174 5.1174 6.2513 6.2513 6.2590 6.2590 7.7611 7.7611 7.7921 7.7921 k =-0.2654 1.0704 0.7949 ( 6522 PWs) bands (ev): -21.6015 -21.6015 -21.6015 -21.6015 -11.4722 -11.4722 -11.4720 -11.4720 -6.6445 -6.6445 -6.6434 -6.6434 -4.7302 -4.7302 -4.7107 -4.7107 -4.2296 -4.2296 -4.2022 -4.2022 -4.0185 -4.0185 -4.0174 -4.0174 -1.6449 -1.6449 -1.6227 -1.6227 -1.4201 -1.4201 -1.4084 -1.4084 -0.7679 -0.7679 -0.7194 -0.7194 -0.4569 -0.4569 -0.4304 -0.4304 0.4393 0.4393 0.4586 0.4586 0.7524 0.7524 0.7760 0.7760 1.4685 1.4685 1.5146 1.5146 1.9819 1.9819 2.0320 2.0320 5.0616 5.0616 5.1174 5.1174 6.2513 6.2513 6.2590 6.2590 7.7611 7.7611 7.7921 7.7921 k =-0.2717 1.0449 0.7949 ( 6526 PWs) bands (ev): -21.6015 -21.6015 -21.6015 -21.6015 -11.4729 -11.4729 -11.4727 -11.4727 -6.6436 -6.6436 -6.6421 -6.6421 -4.7356 -4.7356 -4.7151 -4.7151 -4.2274 -4.2274 -4.1982 -4.1982 -4.0171 -4.0171 -4.0159 -4.0159 -1.6473 -1.6473 -1.6212 -1.6212 -1.4229 -1.4229 -1.4036 -1.4036 -0.7699 -0.7699 -0.7116 -0.7116 -0.4639 -0.4639 -0.4212 -0.4212 0.4291 0.4291 0.4570 0.4570 0.7533 0.7533 0.7835 0.7835 1.4590 1.4590 1.5200 1.5200 1.9713 1.9713 2.0304 2.0304 5.0653 5.0653 5.1318 5.1318 6.2514 6.2514 6.2622 6.2622 7.7555 7.7555 7.7987 7.7987 k =-0.2780 1.0193 0.7949 ( 6518 PWs) bands (ev): -21.6016 -21.6016 -21.6016 -21.6016 -11.4739 -11.4739 -11.4737 -11.4737 -6.6430 -6.6430 -6.6410 -6.6410 -4.7409 -4.7409 -4.7195 -4.7195 -4.2244 -4.2244 -4.1936 -4.1936 -4.0155 -4.0155 -4.0142 -4.0142 -1.6497 -1.6497 -1.6198 -1.6198 -1.4256 -1.4256 -1.3986 -1.3986 -0.7718 -0.7718 -0.7040 -0.7040 -0.4703 -0.4703 -0.4115 -0.4115 0.4175 0.4175 0.4527 0.4527 0.7559 0.7559 0.7913 0.7913 1.4491 1.4491 1.5250 1.5250 1.9590 1.9590 2.0269 2.0269 5.0730 5.0730 5.1502 5.1502 6.2510 6.2510 6.2649 6.2649 7.7429 7.7429 7.7974 7.7974 k =-0.2844 0.9937 0.7949 ( 6514 PWs) bands (ev): -21.6017 -21.6017 -21.6017 -21.6017 -11.4751 -11.4751 -11.4748 -11.4748 -6.6426 -6.6426 -6.6402 -6.6402 -4.7463 -4.7463 -4.7241 -4.7241 -4.2206 -4.2206 -4.1883 -4.1883 -4.0137 -4.0137 -4.0123 -4.0123 -1.6520 -1.6520 -1.6184 -1.6184 -1.4280 -1.4280 -1.3935 -1.3935 -0.7737 -0.7737 -0.6966 -0.6966 -0.4760 -0.4760 -0.4013 -0.4013 0.4049 0.4049 0.4456 0.4456 0.7603 0.7603 0.7990 0.7990 1.4390 1.4390 1.5297 1.5297 1.9453 1.9453 2.0217 2.0217 5.0846 5.0846 5.1724 5.1724 6.2502 6.2502 6.2671 6.2671 7.7243 7.7243 7.7885 7.7885 k =-0.2907 0.9681 0.7949 ( 6514 PWs) bands (ev): -21.6018 -21.6018 -21.6018 -21.6018 -11.4765 -11.4765 -11.4761 -11.4761 -6.6423 -6.6423 -6.6396 -6.6396 -4.7515 -4.7515 -4.7288 -4.7288 -4.2161 -4.2161 -4.1825 -4.1825 -4.0118 -4.0118 -4.0103 -4.0103 -1.6542 -1.6542 -1.6170 -1.6170 -1.4302 -1.4302 -1.3882 -1.3882 -0.7753 -0.7753 -0.6895 -0.6895 -0.4810 -0.4810 -0.3906 -0.3906 0.3913 0.3913 0.4359 0.4359 0.7661 0.7661 0.8066 0.8066 1.4289 1.4289 1.5341 1.5341 1.9304 1.9304 2.0149 2.0149 5.0998 5.0998 5.1979 5.1979 6.2490 6.2490 6.2688 6.2688 7.7007 7.7007 7.7729 7.7729 k =-0.2971 0.9425 0.7949 ( 6518 PWs) bands (ev): -21.6020 -21.6020 -21.6020 -21.6020 -11.4781 -11.4781 -11.4777 -11.4777 -6.6423 -6.6423 -6.6391 -6.6391 -4.7567 -4.7567 -4.7335 -4.7335 -4.2109 -4.2109 -4.1761 -4.1761 -4.0098 -4.0098 -4.0081 -4.0081 -1.6564 -1.6564 -1.6157 -1.6157 -1.4322 -1.4322 -1.3828 -1.3828 -0.7768 -0.7768 -0.6828 -0.6828 -0.4853 -0.4853 -0.3795 -0.3795 0.3770 0.3770 0.4238 0.4238 0.7730 0.7730 0.8137 0.8137 1.4187 1.4187 1.5383 1.5383 1.9144 1.9144 2.0068 2.0068 5.1184 5.1184 5.2264 5.2264 6.2474 6.2474 6.2699 6.2699 7.6736 7.6736 7.7523 7.7523 k =-0.3034 0.9170 0.7949 ( 6514 PWs) bands (ev): -21.6021 -21.6021 -21.6021 -21.6021 -11.4798 -11.4798 -11.4794 -11.4794 -6.6424 -6.6424 -6.6389 -6.6389 -4.7618 -4.7618 -4.7383 -4.7383 -4.2050 -4.2050 -4.1692 -4.1692 -4.0076 -4.0076 -4.0058 -4.0058 -1.6585 -1.6585 -1.6145 -1.6145 -1.4340 -1.4340 -1.3773 -1.3773 -0.7780 -0.7780 -0.6765 -0.6765 -0.4887 -0.4887 -0.3680 -0.3680 0.3620 0.3620 0.4096 0.4096 0.7808 0.7808 0.8204 0.8204 1.4088 1.4088 1.5423 1.5423 1.8977 1.8977 1.9975 1.9975 5.1400 5.1400 5.2576 5.2576 6.2454 6.2454 6.2704 6.2704 7.6441 7.6441 7.7281 7.7281 k =-0.3098 0.8914 0.7949 ( 6530 PWs) bands (ev): -21.6023 -21.6023 -21.6023 -21.6023 -11.4818 -11.4818 -11.4813 -11.4813 -6.6427 -6.6427 -6.6389 -6.6389 -4.7669 -4.7669 -4.7431 -4.7431 -4.1984 -4.1984 -4.1619 -4.1619 -4.0053 -4.0053 -4.0034 -4.0034 -1.6605 -1.6605 -1.6133 -1.6133 -1.4356 -1.4356 -1.3718 -1.3718 -0.7789 -0.7789 -0.6707 -0.6707 -0.4913 -0.4913 -0.3563 -0.3563 0.3464 0.3464 0.3936 0.3936 0.7891 0.7891 0.8264 0.8264 1.3993 1.3993 1.5463 1.5463 1.8805 1.8805 1.9872 1.9872 5.1642 5.1642 5.2912 5.2912 6.2429 6.2429 6.2704 6.2704 7.6131 7.6131 7.7012 7.7012 k =-0.3161 0.8658 0.7949 ( 6538 PWs) bands (ev): -21.6025 -21.6025 -21.6025 -21.6025 -11.4839 -11.4839 -11.4834 -11.4834 -6.6432 -6.6432 -6.6390 -6.6390 -4.7718 -4.7718 -4.7479 -4.7479 -4.1913 -4.1913 -4.1541 -4.1541 -4.0029 -4.0029 -4.0008 -4.0008 -1.6626 -1.6626 -1.6124 -1.6124 -1.4370 -1.4370 -1.3662 -1.3662 -0.7794 -0.7794 -0.6654 -0.6654 -0.4929 -0.4929 -0.3442 -0.3442 0.3305 0.3305 0.3760 0.3760 0.7974 0.7974 0.8316 0.8316 1.3904 1.3904 1.5502 1.5502 1.8630 1.8630 1.9762 1.9762 5.1909 5.1909 5.3265 5.3265 6.2400 6.2400 6.2698 6.2698 7.5811 7.5811 7.6726 7.6726 k =-0.3224 0.8402 0.7949 ( 6538 PWs) bands (ev): -21.6027 -21.6027 -21.6027 -21.6027 -11.4861 -11.4861 -11.4856 -11.4856 -6.6438 -6.6438 -6.6393 -6.6393 -4.7765 -4.7765 -4.7527 -4.7527 -4.1837 -4.1837 -4.1459 -4.1459 -4.0004 -4.0004 -3.9981 -3.9981 -1.6646 -1.6646 -1.6116 -1.6116 -1.4382 -1.4382 -1.3606 -1.3606 -0.7795 -0.7795 -0.6606 -0.6606 -0.4937 -0.4937 -0.3320 -0.3320 0.3144 0.3144 0.3571 0.3571 0.8054 0.8054 0.8359 0.8359 1.3824 1.3824 1.5543 1.5543 1.8453 1.8453 1.9645 1.9645 5.2196 5.2196 5.3634 5.3634 6.2368 6.2368 6.2687 6.2687 7.5486 7.5486 7.6430 7.6430 k =-0.3288 0.8146 0.7949 ( 6534 PWs) bands (ev): -21.6029 -21.6029 -21.6029 -21.6029 -11.4885 -11.4885 -11.4880 -11.4880 -6.6446 -6.6446 -6.6398 -6.6398 -4.7812 -4.7812 -4.7574 -4.7574 -4.1756 -4.1756 -4.1374 -4.1374 -3.9978 -3.9978 -3.9954 -3.9954 -1.6666 -1.6666 -1.6111 -1.6111 -1.4391 -1.4391 -1.3551 -1.3551 -0.7791 -0.7791 -0.6563 -0.6563 -0.4936 -0.4936 -0.3195 -0.3195 0.2981 0.2981 0.3371 0.3371 0.8127 0.8127 0.8392 0.8392 1.3756 1.3756 1.5586 1.5586 1.8278 1.8278 1.9524 1.9524 5.2499 5.2499 5.4014 5.4014 6.2332 6.2332 6.2670 6.2670 7.5160 7.5160 7.6127 7.6127 k =-0.3351 0.7891 0.7949 ( 6522 PWs) bands (ev): -21.6032 -21.6032 -21.6032 -21.6032 -11.4910 -11.4910 -11.4904 -11.4904 -6.6454 -6.6454 -6.6405 -6.6405 -4.7857 -4.7857 -4.7622 -4.7622 -4.1670 -4.1670 -4.1286 -4.1286 -3.9952 -3.9952 -3.9926 -3.9926 -1.6686 -1.6686 -1.6109 -1.6109 -1.4397 -1.4397 -1.3496 -1.3496 -0.7782 -0.7782 -0.6526 -0.6526 -0.4925 -0.4925 -0.3069 -0.3069 0.2818 0.2818 0.3163 0.3163 0.8190 0.8190 0.8414 0.8414 1.3702 1.3702 1.5631 1.5631 1.8106 1.8106 1.9400 1.9400 5.2817 5.2817 5.4400 5.4400 6.2293 6.2293 6.2649 6.2649 7.4836 7.4836 7.5821 7.5821 k =-0.3415 0.7635 0.7949 ( 6522 PWs) bands (ev): -21.6034 -21.6034 -21.6034 -21.6034 -11.4936 -11.4936 -11.4930 -11.4930 -6.6464 -6.6464 -6.6413 -6.6413 -4.7900 -4.7900 -4.7668 -4.7668 -4.1580 -4.1580 -4.1195 -4.1195 -3.9925 -3.9925 -3.9897 -3.9897 -1.6706 -1.6706 -1.6110 -1.6110 -1.4400 -1.4400 -1.3443 -1.3443 -0.7769 -0.7769 -0.6494 -0.6494 -0.4907 -0.4907 -0.2942 -0.2942 0.2655 0.2655 0.2948 0.2948 0.8238 0.8238 0.8424 0.8424 1.3665 1.3665 1.5680 1.5680 1.7937 1.7937 1.9274 1.9274 5.3145 5.3145 5.4790 5.4790 6.2252 6.2252 6.2623 6.2623 7.4514 7.4514 7.5514 7.5514 k =-0.3478 0.7379 0.7949 ( 6536 PWs) bands (ev): -21.6037 -21.6037 -21.6037 -21.6037 -11.4963 -11.4963 -11.4957 -11.4957 -6.6476 -6.6476 -6.6423 -6.6423 -4.7942 -4.7942 -4.7714 -4.7714 -4.1488 -4.1488 -4.1103 -4.1103 -3.9897 -3.9897 -3.9867 -3.9867 -1.6726 -1.6726 -1.6115 -1.6115 -1.4400 -1.4400 -1.3392 -1.3392 -0.7751 -0.7751 -0.6466 -0.6466 -0.4881 -0.4881 -0.2814 -0.2814 0.2495 0.2495 0.2729 0.2729 0.8269 0.8269 0.8421 0.8421 1.3647 1.3647 1.5734 1.5734 1.7775 1.7775 1.9148 1.9148 5.3480 5.3480 5.5180 5.5180 6.2209 6.2209 6.2593 6.2593 7.4197 7.4197 7.5208 7.5208 k =-0.3541 0.7123 0.7949 ( 6532 PWs) bands (ev): -21.6039 -21.6039 -21.6039 -21.6039 -11.4991 -11.4991 -11.4984 -11.4984 -6.6488 -6.6488 -6.6433 -6.6433 -4.7983 -4.7983 -4.7760 -4.7760 -4.1392 -4.1392 -4.1009 -4.1009 -3.9869 -3.9869 -3.9838 -3.9838 -1.6747 -1.6747 -1.6125 -1.6125 -1.4396 -1.4396 -1.3343 -1.3343 -0.7728 -0.7728 -0.6441 -0.6441 -0.4847 -0.4847 -0.2687 -0.2687 0.2339 0.2339 0.2507 0.2507 0.8282 0.8282 0.8406 0.8406 1.3650 1.3650 1.5792 1.5792 1.7619 1.7619 1.9022 1.9022 5.3820 5.3820 5.5565 5.5565 6.2166 6.2166 6.2561 6.2561 7.3885 7.3885 7.4905 7.4905 k =-0.3605 0.6867 0.7949 ( 6536 PWs) bands (ev): -21.6042 -21.6042 -21.6042 -21.6042 -11.5019 -11.5019 -11.5012 -11.5012 -6.6500 -6.6500 -6.6445 -6.6445 -4.8021 -4.8021 -4.7804 -4.7804 -4.1295 -4.1295 -4.0915 -4.0915 -3.9841 -3.9841 -3.9808 -3.9808 -1.6768 -1.6768 -1.6140 -1.6140 -1.4387 -1.4387 -1.3297 -1.3297 -0.7699 -0.7699 -0.6420 -0.6420 -0.4808 -0.4808 -0.2560 -0.2560 0.2188 0.2188 0.2284 0.2284 0.8273 0.8273 0.8376 0.8376 1.3674 1.3674 1.5856 1.5856 1.7470 1.7470 1.8898 1.8898 5.4162 5.4162 5.5943 5.5943 6.2123 6.2123 6.2526 6.2526 7.3580 7.3580 7.4605 7.4605 k =-0.3668 0.6612 0.7949 ( 6536 PWs) bands (ev): -21.6044 -21.6044 -21.6044 -21.6044 -11.5047 -11.5047 -11.5041 -11.5041 -6.6514 -6.6514 -6.6458 -6.6458 -4.8058 -4.8058 -4.7847 -4.7847 -4.1196 -4.1196 -4.0820 -4.0820 -3.9813 -3.9813 -3.9778 -3.9778 -1.6789 -1.6789 -1.6160 -1.6160 -1.4374 -1.4374 -1.3254 -1.3254 -0.7667 -0.7667 -0.6401 -0.6401 -0.4763 -0.4763 -0.2435 -0.2435 0.2043 0.2043 0.2063 0.2063 0.8244 0.8244 0.8333 0.8333 1.3721 1.3721 1.5926 1.5926 1.7329 1.7329 1.8777 1.8777 5.4503 5.4503 5.6310 5.6310 6.2082 6.2082 6.2490 6.2490 7.3283 7.3283 7.4309 7.4309 k =-0.3732 0.6356 0.7949 ( 6530 PWs) bands (ev): -21.6047 -21.6047 -21.6047 -21.6047 -11.5076 -11.5076 -11.5069 -11.5069 -6.6527 -6.6527 -6.6471 -6.6471 -4.8093 -4.8093 -4.7889 -4.7889 -4.1096 -4.1096 -4.0725 -4.0725 -3.9785 -3.9785 -3.9748 -3.9748 -1.6811 -1.6811 -1.6186 -1.6186 -1.4357 -1.4357 -1.3215 -1.3215 -0.7629 -0.7629 -0.6384 -0.6384 -0.4713 -0.4713 -0.2313 -0.2313 0.1845 0.1845 0.1905 0.1905 0.8194 0.8194 0.8277 0.8277 1.3788 1.3788 1.6001 1.6001 1.7197 1.7197 1.8658 1.8658 5.4842 5.4842 5.6663 5.6663 6.2045 6.2045 6.2453 6.2453 7.2993 7.2993 7.4017 7.4017 k =-0.3795 0.6100 0.7949 ( 6546 PWs) bands (ev): -21.6050 -21.6050 -21.6050 -21.6050 -11.5105 -11.5105 -11.5098 -11.5098 -6.6541 -6.6541 -6.6486 -6.6486 -4.8126 -4.8126 -4.7930 -4.7930 -4.0996 -4.0996 -4.0632 -4.0632 -3.9758 -3.9758 -3.9718 -3.9718 -1.6833 -1.6833 -1.6216 -1.6216 -1.4334 -1.4334 -1.3179 -1.3179 -0.7588 -0.7588 -0.6369 -0.6369 -0.4659 -0.4659 -0.2194 -0.2194 0.1632 0.1632 0.1775 0.1775 0.8125 0.8125 0.8209 0.8209 1.3875 1.3875 1.6081 1.6081 1.7074 1.7074 1.8544 1.8544 5.5174 5.5174 5.6998 5.6998 6.2013 6.2013 6.2418 6.2418 7.2712 7.2712 7.3732 7.3732 k =-0.3859 0.5844 0.7949 ( 6544 PWs) bands (ev): -21.6053 -21.6053 -21.6052 -21.6052 -11.5133 -11.5133 -11.5126 -11.5126 -6.6556 -6.6556 -6.6500 -6.6500 -4.8158 -4.8158 -4.7969 -4.7969 -4.0896 -4.0896 -4.0540 -4.0540 -3.9730 -3.9730 -3.9689 -3.9689 -1.6855 -1.6855 -1.6251 -1.6251 -1.4307 -1.4307 -1.3149 -1.3149 -0.7542 -0.7542 -0.6356 -0.6356 -0.4601 -0.4601 -0.2081 -0.2081 0.1428 0.1428 0.1655 0.1655 0.8038 0.8038 0.8128 0.8128 1.3978 1.3978 1.6166 1.6166 1.6960 1.6960 1.8434 1.8434 5.5498 5.5498 5.7312 5.7312 6.1990 6.1990 6.2384 6.2384 7.2441 7.2441 7.3452 7.3452 k =-0.3922 0.5588 0.7949 ( 6552 PWs) bands (ev): -21.6055 -21.6055 -21.6055 -21.6055 -11.5161 -11.5161 -11.5154 -11.5154 -6.6570 -6.6570 -6.6515 -6.6515 -4.8187 -4.8187 -4.8007 -4.8007 -4.0797 -4.0797 -4.0450 -4.0450 -3.9702 -3.9702 -3.9660 -3.9660 -1.6877 -1.6877 -1.6291 -1.6291 -1.4276 -1.4276 -1.3122 -1.3122 -0.7494 -0.7494 -0.6344 -0.6344 -0.4539 -0.4539 -0.1977 -0.1977 0.1234 0.1234 0.1545 0.1545 0.7936 0.7936 0.8035 0.8035 1.4096 1.4096 1.6252 1.6252 1.6857 1.6857 1.8329 1.8329 5.5812 5.5812 5.7601 5.7601 6.1977 6.1977 6.2355 6.2355 7.2179 7.2179 7.3179 7.3179 k =-0.3985 0.5332 0.7949 ( 6548 PWs) bands (ev): -21.6058 -21.6058 -21.6058 -21.6058 -11.5188 -11.5188 -11.5182 -11.5182 -6.6584 -6.6584 -6.6531 -6.6531 -4.8215 -4.8215 -4.8044 -4.8044 -4.0699 -4.0699 -4.0364 -4.0364 -3.9675 -3.9675 -3.9631 -3.9631 -1.6900 -1.6900 -1.6335 -1.6335 -1.4240 -1.4240 -1.3101 -1.3101 -0.7442 -0.7442 -0.6334 -0.6334 -0.4474 -0.4474 -0.1882 -0.1882 0.1054 0.1054 0.1445 0.1445 0.7821 0.7821 0.7933 0.7933 1.4225 1.4225 1.6337 1.6337 1.6768 1.6768 1.8230 1.8230 5.6114 5.6114 5.7862 5.7862 6.1978 6.1978 6.2330 6.2330 7.1927 7.1927 7.2913 7.2913 k =-0.4049 0.5077 0.7949 ( 6556 PWs) bands (ev): -21.6060 -21.6060 -21.6060 -21.6060 -11.5215 -11.5215 -11.5208 -11.5208 -6.6598 -6.6598 -6.6546 -6.6546 -4.8240 -4.8240 -4.8079 -4.8079 -4.0604 -4.0604 -4.0281 -4.0281 -3.9648 -3.9648 -3.9603 -3.9603 -1.6922 -1.6922 -1.6382 -1.6382 -1.4200 -1.4200 -1.3085 -1.3085 -0.7388 -0.7388 -0.6325 -0.6325 -0.4405 -0.4405 -0.1802 -0.1802 0.0892 0.0892 0.1356 0.1356 0.7696 0.7696 0.7821 0.7821 1.4362 1.4362 1.6408 1.6408 1.6703 1.6703 1.8138 1.8138 5.6401 5.6401 5.8092 5.8092 6.1994 6.1994 6.2312 6.2312 7.1687 7.1687 7.2654 7.2654 k =-0.4112 0.4821 0.7949 ( 6560 PWs) bands (ev): -21.6063 -21.6063 -21.6063 -21.6063 -11.5241 -11.5241 -11.5235 -11.5235 -6.6611 -6.6611 -6.6561 -6.6561 -4.8264 -4.8264 -4.8112 -4.8112 -4.0512 -4.0512 -4.0201 -4.0201 -3.9621 -3.9621 -3.9576 -3.9576 -1.6943 -1.6943 -1.6431 -1.6431 -1.4157 -1.4157 -1.3074 -1.3074 -0.7332 -0.7332 -0.6319 -0.6319 -0.4333 -0.4333 -0.1740 -0.1740 0.0752 0.0752 0.1279 0.1279 0.7564 0.7564 0.7703 0.7703 1.4504 1.4504 1.6435 1.6435 1.6690 1.6690 1.8052 1.8052 5.6672 5.6672 5.8288 5.8288 6.2026 6.2026 6.2302 6.2302 7.1459 7.1459 7.2404 7.2404 k =-0.4176 0.4565 0.7949 ( 6548 PWs) bands (ev): -21.6065 -21.6065 -21.6065 -21.6065 -11.5265 -11.5265 -11.5259 -11.5259 -6.6624 -6.6624 -6.6577 -6.6577 -4.8286 -4.8286 -4.8144 -4.8144 -4.0423 -4.0423 -4.0127 -4.0127 -3.9594 -3.9594 -3.9549 -3.9549 -1.6964 -1.6964 -1.6482 -1.6482 -1.4111 -1.4111 -1.3068 -1.3068 -0.7274 -0.7274 -0.6315 -0.6315 -0.4257 -0.4257 -0.1701 -0.1701 0.0638 0.0638 0.1213 0.1213 0.7427 0.7427 0.7578 0.7578 1.4647 1.4647 1.6406 1.6406 1.6741 1.6741 1.7974 1.7974 5.6924 5.6924 5.8450 5.8450 6.2076 6.2076 6.2301 6.2301 7.1244 7.1244 7.2161 7.2161 k =-0.4239 0.4309 0.7949 ( 6544 PWs) bands (ev): -21.6067 -21.6067 -21.6067 -21.6067 -11.5289 -11.5289 -11.5283 -11.5283 -6.6637 -6.6637 -6.6591 -6.6591 -4.8306 -4.8306 -4.8173 -4.8173 -4.0338 -4.0338 -4.0059 -4.0059 -3.9567 -3.9567 -3.9523 -3.9523 -1.6984 -1.6984 -1.6535 -1.6535 -1.4062 -1.4062 -1.3068 -1.3068 -0.7216 -0.7216 -0.6314 -0.6314 -0.4177 -0.4177 -0.1687 -0.1687 0.0553 0.0553 0.1158 0.1158 0.7288 0.7288 0.7449 0.7449 1.4789 1.4789 1.6353 1.6353 1.6824 1.6824 1.7904 1.7904 5.7157 5.7157 5.8577 5.8577 6.2143 6.2143 6.2310 6.2310 7.1043 7.1043 7.1927 7.1927 k =-0.4302 0.4053 0.7949 ( 6540 PWs) bands (ev): -21.6069 -21.6069 -21.6069 -21.6069 -11.5311 -11.5311 -11.5306 -11.5306 -6.6648 -6.6648 -6.6606 -6.6606 -4.8323 -4.8323 -4.8202 -4.8202 -4.0257 -4.0257 -3.9997 -3.9997 -3.9541 -3.9541 -3.9498 -3.9498 -1.7003 -1.7003 -1.6588 -1.6588 -1.4011 -1.4011 -1.3073 -1.3073 -0.7157 -0.7157 -0.6316 -0.6316 -0.4094 -0.4094 -0.1702 -0.1702 0.0500 0.0500 0.1113 0.1113 0.7149 0.7149 0.7317 0.7317 1.4927 1.4927 1.6294 1.6294 1.6915 1.6915 1.7842 1.7842 5.7370 5.7370 5.8673 5.8673 6.2223 6.2223 6.2330 6.2330 7.0856 7.0856 7.1703 7.1703 k =-0.4366 0.3798 0.7949 ( 6548 PWs) bands (ev): -21.6071 -21.6071 -21.6071 -21.6071 -11.5332 -11.5332 -11.5327 -11.5327 -6.6659 -6.6659 -6.6619 -6.6619 -4.8339 -4.8339 -4.8228 -4.8228 -4.0182 -4.0182 -3.9941 -3.9941 -3.9514 -3.9514 -3.9474 -3.9474 -1.7020 -1.7020 -1.6640 -1.6640 -1.3958 -1.3958 -1.3083 -1.3083 -0.7097 -0.7097 -0.6321 -0.6321 -0.4006 -0.4006 -0.1745 -0.1745 0.0477 0.0477 0.1077 0.1077 0.7013 0.7013 0.7186 0.7186 1.5058 1.5058 1.6237 1.6237 1.7007 1.7007 1.7789 1.7789 5.7561 5.7561 5.8738 5.8738 6.2314 6.2314 6.2361 6.2361 7.0685 7.0685 7.1488 7.1488 k =-0.4429 0.3542 0.7949 ( 6544 PWs) bands (ev): -21.6073 -21.6073 -21.6073 -21.6073 -11.5351 -11.5351 -11.5346 -11.5346 -6.6669 -6.6669 -6.6632 -6.6632 -4.8353 -4.8353 -4.8252 -4.8252 -4.0112 -4.0112 -3.9893 -3.9893 -3.9487 -3.9487 -3.9451 -3.9451 -1.7035 -1.7035 -1.6692 -1.6692 -1.3904 -1.3904 -1.3098 -1.3098 -0.7038 -0.7038 -0.6330 -0.6330 -0.3914 -0.3914 -0.1813 -0.1813 0.0482 0.0482 0.1050 0.1050 0.6883 0.6883 0.7055 0.7055 1.5182 1.5182 1.6184 1.6184 1.7096 1.7096 1.7744 1.7744 5.7732 5.7732 5.8779 5.8779 6.2402 6.2402 6.2411 6.2411 7.0531 7.0531 7.1284 7.1284 k =-0.4493 0.3286 0.7949 ( 6540 PWs) bands (ev): -21.6075 -21.6075 -21.6075 -21.6075 -11.5368 -11.5368 -11.5364 -11.5364 -6.6678 -6.6678 -6.6645 -6.6645 -4.8365 -4.8365 -4.8275 -4.8275 -4.0048 -4.0048 -3.9852 -3.9852 -3.9461 -3.9461 -3.9429 -3.9429 -1.7048 -1.7048 -1.6742 -1.6742 -1.3849 -1.3849 -1.3118 -1.3118 -0.6980 -0.6980 -0.6342 -0.6342 -0.3817 -0.3817 -0.1902 -0.1902 0.0508 0.0508 0.1029 0.1029 0.6760 0.6760 0.6928 0.6928 1.5295 1.5295 1.6134 1.6134 1.7181 1.7181 1.7708 1.7708 5.7882 5.7882 5.8798 5.8798 6.2453 6.2453 6.2508 6.2508 7.0395 7.0395 7.1091 7.1091 k =-0.4556 0.3030 0.7949 ( 6552 PWs) bands (ev): -21.6077 -21.6077 -21.6077 -21.6077 -11.5384 -11.5384 -11.5380 -11.5380 -6.6685 -6.6685 -6.6656 -6.6656 -4.8374 -4.8374 -4.8296 -4.8296 -3.9990 -3.9990 -3.9818 -3.9818 -3.9436 -3.9436 -3.9409 -3.9409 -1.7057 -1.7057 -1.6790 -1.6790 -1.3793 -1.3793 -1.3142 -1.3142 -0.6922 -0.6922 -0.6358 -0.6358 -0.3717 -0.3717 -0.2008 -0.2008 0.0549 0.0549 0.1014 0.1014 0.6647 0.6647 0.6807 0.6807 1.5397 1.5397 1.6088 1.6088 1.7259 1.7259 1.7680 1.7680 5.8014 5.8014 5.8800 5.8800 6.2511 6.2511 6.2602 6.2602 7.0278 7.0278 7.0910 7.0910 k =-0.4620 0.2774 0.7949 ( 6552 PWs) bands (ev): -21.6078 -21.6078 -21.6078 -21.6078 -11.5397 -11.5397 -11.5394 -11.5394 -6.6692 -6.6692 -6.6666 -6.6666 -4.8382 -4.8382 -4.8314 -4.8314 -3.9938 -3.9938 -3.9791 -3.9791 -3.9412 -3.9412 -3.9390 -3.9390 -1.7064 -1.7064 -1.6835 -1.6835 -1.3737 -1.3737 -1.3171 -1.3171 -0.6866 -0.6866 -0.6378 -0.6378 -0.3612 -0.3612 -0.2125 -0.2125 0.0601 0.0601 0.1002 0.1002 0.6546 0.6546 0.6693 0.6693 1.5487 1.5487 1.6046 1.6046 1.7331 1.7331 1.7659 1.7659 5.8128 5.8128 5.8789 5.8789 6.2574 6.2574 6.2687 6.2687 7.0182 7.0182 7.0742 7.0742 k =-0.4683 0.2519 0.7949 ( 6548 PWs) bands (ev): -21.6079 -21.6079 -21.6079 -21.6079 -11.5409 -11.5409 -11.5406 -11.5406 -6.6697 -6.6697 -6.6675 -6.6675 -4.8388 -4.8388 -4.8331 -4.8331 -3.9893 -3.9893 -3.9771 -3.9771 -3.9391 -3.9391 -3.9374 -3.9374 -1.7068 -1.7068 -1.6876 -1.6876 -1.3681 -1.3681 -1.3203 -1.3203 -0.6811 -0.6811 -0.6402 -0.6402 -0.3502 -0.3502 -0.2249 -0.2249 0.0657 0.0657 0.0992 0.0992 0.6460 0.6460 0.6590 0.6590 1.5567 1.5567 1.6007 1.6007 1.7394 1.7394 1.7644 1.7644 5.8227 5.8227 5.8767 5.8767 6.2639 6.2639 6.2761 6.2761 7.0108 7.0108 7.0589 7.0589 k =-0.4746 0.2263 0.7949 ( 6556 PWs) bands (ev): -21.6080 -21.6080 -21.6080 -21.6080 -11.5418 -11.5418 -11.5416 -11.5416 -6.6701 -6.6701 -6.6684 -6.6684 -4.8391 -4.8391 -4.8346 -4.8346 -3.9854 -3.9854 -3.9757 -3.9757 -3.9372 -3.9372 -3.9360 -3.9360 -1.7068 -1.7068 -1.6914 -1.6914 -1.3626 -1.3626 -1.3239 -1.3239 -0.6759 -0.6759 -0.6429 -0.6429 -0.3389 -0.3389 -0.2378 -0.2378 0.0714 0.0714 0.0981 0.0981 0.6389 0.6389 0.6498 0.6498 1.5635 1.5635 1.5970 1.5970 1.7449 1.7449 1.7632 1.7632 5.8313 5.8313 5.8738 5.8738 6.2703 6.2703 6.2819 6.2819 7.0056 7.0056 7.0451 7.0451 k =-0.4810 0.2007 0.7949 ( 6552 PWs) bands (ev): -21.6081 -21.6081 -21.6081 -21.6081 -11.5426 -11.5426 -11.5424 -11.5424 -6.6703 -6.6703 -6.6690 -6.6690 -4.8393 -4.8393 -4.8359 -4.8359 -3.9822 -3.9822 -3.9749 -3.9749 -3.9357 -3.9357 -3.9348 -3.9348 -1.7063 -1.7063 -1.6949 -1.6949 -1.3571 -1.3571 -1.3279 -1.3279 -0.6708 -0.6708 -0.6459 -0.6459 -0.3272 -0.3272 -0.2509 -0.2509 0.0769 0.0769 0.0968 0.0968 0.6336 0.6336 0.6421 0.6421 1.5694 1.5694 1.5935 1.5935 1.7495 1.7495 1.7623 1.7623 5.8388 5.8388 5.8702 5.8702 6.2762 6.2762 6.2861 6.2861 7.0027 7.0027 7.0330 7.0330 k =-0.4873 0.1751 0.7949 ( 6556 PWs) bands (ev): -21.6081 -21.6081 -21.6081 -21.6081 -11.5431 -11.5431 -11.5430 -11.5430 -6.6705 -6.6705 -6.6696 -6.6696 -4.8392 -4.8392 -4.8370 -4.8370 -3.9795 -3.9795 -3.9747 -3.9747 -3.9345 -3.9345 -3.9340 -3.9340 -1.7055 -1.7055 -1.6979 -1.6979 -1.3518 -1.3518 -1.3322 -1.3322 -0.6660 -0.6660 -0.6493 -0.6493 -0.3152 -0.3152 -0.2641 -0.2641 0.0819 0.0819 0.0951 0.0951 0.6302 0.6302 0.6360 0.6360 1.5745 1.5745 1.5901 1.5901 1.7532 1.7532 1.7613 1.7613 5.8454 5.8454 5.8661 5.8661 6.2813 6.2813 6.2885 6.2885 7.0022 7.0022 7.0227 7.0227 k =-0.4937 0.1495 0.7949 ( 6556 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5434 -11.5434 -11.5434 -11.5434 -6.6704 -6.6704 -6.6700 -6.6700 -4.8390 -4.8390 -4.8378 -4.8378 -3.9775 -3.9775 -3.9751 -3.9751 -3.9338 -3.9338 -3.9335 -3.9335 -1.7043 -1.7043 -1.7004 -1.7004 -1.3466 -1.3466 -1.3367 -1.3367 -0.6614 -0.6614 -0.6531 -0.6531 -0.3028 -0.3028 -0.2772 -0.2772 0.0862 0.0862 0.0928 0.0928 0.6287 0.6287 0.6316 0.6316 1.5790 1.5790 1.5866 1.5866 1.7562 1.7562 1.7600 1.7600 5.8514 5.8514 5.8617 5.8617 6.2854 6.2854 6.2891 6.2891 7.0040 7.0040 7.0143 7.0143 k =-0.5000 0.1239 0.7949 ( 6560 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5435 -11.5435 -11.5435 -11.5435 -6.6703 -6.6703 -6.6703 -6.6703 -4.8385 -4.8385 -4.8385 -4.8385 -3.9760 -3.9760 -3.9760 -3.9760 -3.9334 -3.9334 -3.9334 -3.9334 -1.7026 -1.7026 -1.7026 -1.7026 -1.3416 -1.3416 -1.3416 -1.3416 -0.6571 -0.6571 -0.6571 -0.6571 -0.2901 -0.2901 -0.2901 -0.2901 0.0899 0.0899 0.0899 0.0899 0.6292 0.6292 0.6292 0.6292 1.5829 1.5829 1.5829 1.5829 1.7584 1.7584 1.7584 1.7584 5.8567 5.8567 5.8567 5.8567 6.2880 6.2880 6.2880 6.2880 7.0081 7.0081 7.0081 7.0081 k =-0.5000 0.1239 0.7949 ( 6560 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5435 -11.5435 -11.5435 -11.5435 -6.6703 -6.6703 -6.6703 -6.6703 -4.8385 -4.8385 -4.8385 -4.8385 -3.9760 -3.9760 -3.9760 -3.9760 -3.9334 -3.9334 -3.9334 -3.9334 -1.7026 -1.7026 -1.7026 -1.7026 -1.3416 -1.3416 -1.3416 -1.3416 -0.6571 -0.6571 -0.6571 -0.6571 -0.2901 -0.2901 -0.2901 -0.2901 0.0899 0.0899 0.0899 0.0899 0.6292 0.6292 0.6292 0.6292 1.5829 1.5829 1.5829 1.5829 1.7584 1.7584 1.7584 1.7584 5.8567 5.8567 5.8567 5.8567 6.2880 6.2880 6.2880 6.2880 7.0081 7.0081 7.0081 7.0081 k =-0.5000 0.1239 0.7684 ( 6562 PWs) bands (ev): -21.6090 -21.6090 -21.6073 -21.6073 -11.5458 -11.5458 -11.5412 -11.5412 -6.6755 -6.6755 -6.6650 -6.6650 -4.8444 -4.8444 -4.8323 -4.8323 -3.9796 -3.9796 -3.9733 -3.9733 -3.9376 -3.9376 -3.9291 -3.9291 -1.7107 -1.7107 -1.6939 -1.6939 -1.3440 -1.3440 -1.3392 -1.3392 -0.6616 -0.6616 -0.6533 -0.6533 -0.3057 -0.3057 -0.2765 -0.2765 0.0545 0.0545 0.1261 0.1261 0.6140 0.6140 0.6460 0.6460 1.5701 1.5701 1.5961 1.5961 1.7542 1.7542 1.7645 1.7645 5.8356 5.8356 5.8776 5.8776 6.2815 6.2815 6.2948 6.2948 6.9965 6.9965 7.0215 7.0215 k =-0.5000 0.1239 0.7419 ( 6570 PWs) bands (ev): -21.6099 -21.6099 -21.6064 -21.6064 -11.5481 -11.5481 -11.5390 -11.5390 -6.6805 -6.6805 -6.6595 -6.6595 -4.8500 -4.8500 -4.8258 -4.8258 -3.9843 -3.9843 -3.9714 -3.9714 -3.9413 -3.9413 -3.9247 -3.9247 -1.7183 -1.7183 -1.6847 -1.6847 -1.3464 -1.3464 -1.3370 -1.3370 -0.6670 -0.6670 -0.6502 -0.6502 -0.3233 -0.3233 -0.2649 -0.2649 0.0201 0.0201 0.1628 0.1628 0.6008 0.6008 0.6644 0.6644 1.5581 1.5581 1.6089 1.6089 1.7520 1.7520 1.7724 1.7724 5.8143 5.8143 5.8980 5.8980 6.2751 6.2751 6.3017 6.3017 6.9869 6.9869 7.0368 7.0368 k =-0.5000 0.1239 0.7154 ( 6568 PWs) bands (ev): -21.6108 -21.6108 -21.6056 -21.6056 -11.5504 -11.5504 -11.5367 -11.5367 -6.6853 -6.6853 -6.6539 -6.6539 -4.8554 -4.8554 -4.8190 -4.8190 -3.9901 -3.9901 -3.9701 -3.9701 -3.9444 -3.9444 -3.9205 -3.9205 -1.7252 -1.7252 -1.6752 -1.6752 -1.3489 -1.3489 -1.3349 -1.3349 -0.6733 -0.6733 -0.6478 -0.6478 -0.3426 -0.3426 -0.2554 -0.2554 -0.0129 -0.0129 0.1997 0.1997 0.5896 0.5896 0.6841 0.6841 1.5471 1.5471 1.6205 1.6205 1.7521 1.7521 1.7825 1.7825 5.7929 5.7929 5.9178 5.9178 6.2690 6.2690 6.3088 6.3088 6.9791 6.9791 7.0540 7.0540 k =-0.5000 0.1239 0.6889 ( 6560 PWs) bands (ev): -21.6117 -21.6117 -21.6047 -21.6047 -11.5527 -11.5527 -11.5346 -11.5346 -6.6899 -6.6899 -6.6482 -6.6482 -4.8604 -4.8604 -4.8120 -4.8120 -3.9971 -3.9971 -3.9693 -3.9693 -3.9469 -3.9469 -3.9165 -3.9165 -1.7315 -1.7315 -1.6653 -1.6653 -1.3514 -1.3514 -1.3330 -1.3330 -0.6804 -0.6804 -0.6461 -0.6461 -0.3636 -0.3636 -0.2479 -0.2479 -0.0444 -0.0444 0.2365 0.2365 0.5806 0.5806 0.7047 0.7047 1.5373 1.5373 1.6299 1.6299 1.7549 1.7549 1.7953 1.7953 5.7718 5.7718 5.9370 5.9370 6.2632 6.2632 6.3160 6.3160 6.9732 6.9732 7.0730 7.0730 k =-0.5000 0.1239 0.6624 ( 6562 PWs) bands (ev): -21.6125 -21.6125 -21.6039 -21.6039 -11.5551 -11.5551 -11.5324 -11.5324 -6.6944 -6.6944 -6.6425 -6.6425 -4.8652 -4.8652 -4.8046 -4.8046 -4.0051 -4.0051 -3.9690 -3.9690 -3.9488 -3.9488 -3.9128 -3.9128 -1.7370 -1.7370 -1.6553 -1.6553 -1.3539 -1.3539 -1.3312 -1.3312 -0.6885 -0.6885 -0.6449 -0.6449 -0.3859 -0.3859 -0.2424 -0.2424 -0.0741 -0.0741 0.2731 0.2731 0.5738 0.5738 0.7261 0.7261 1.5286 1.5286 1.6364 1.6364 1.7599 1.7599 1.8116 1.8116 5.7511 5.7511 5.9555 5.9555 6.2576 6.2576 6.3232 6.3232 6.9691 6.9691 7.0938 7.0938 k =-0.5000 0.1239 0.6359 ( 6560 PWs) bands (ev): -21.6134 -21.6134 -21.6031 -21.6031 -11.5573 -11.5573 -11.5303 -11.5303 -6.6986 -6.6986 -6.6366 -6.6366 -4.8697 -4.8697 -4.7970 -4.7970 -4.0142 -4.0142 -3.9690 -3.9690 -3.9502 -3.9502 -3.9095 -3.9095 -1.7418 -1.7418 -1.6452 -1.6452 -1.3563 -1.3563 -1.3297 -1.3297 -0.6976 -0.6976 -0.6443 -0.6443 -0.4091 -0.4091 -0.2389 -0.2389 -0.1018 -0.1018 0.3092 0.3092 0.5692 0.5692 0.7478 0.7478 1.5210 1.5210 1.6397 1.6397 1.7665 1.7665 1.8320 1.8320 5.7310 5.7310 5.9731 5.9731 6.2524 6.2524 6.3306 6.3306 6.9667 6.9667 7.1163 7.1163 k =-0.5000 0.1239 0.6094 ( 6544 PWs) bands (ev): -21.6142 -21.6142 -21.6022 -21.6022 -11.5596 -11.5596 -11.5282 -11.5282 -6.7027 -6.7027 -6.6307 -6.6307 -4.8740 -4.8740 -4.7891 -4.7891 -4.0241 -4.0241 -3.9693 -3.9693 -3.9512 -3.9512 -3.9067 -3.9067 -1.7458 -1.7458 -1.6351 -1.6351 -1.3588 -1.3588 -1.3283 -1.3283 -0.7077 -0.7077 -0.6443 -0.6443 -0.4327 -0.4327 -0.2375 -0.2375 -0.1274 -0.1274 0.3446 0.3446 0.5669 0.5669 0.7698 0.7698 1.5145 1.5145 1.6405 1.6405 1.7739 1.7739 1.8566 1.8566 5.7117 5.7117 5.9901 5.9901 6.2475 6.2475 6.3380 6.3380 6.9659 6.9659 7.1404 7.1404 k =-0.5000 0.1239 0.5829 ( 6540 PWs) bands (ev): -21.6150 -21.6150 -21.6014 -21.6014 -11.5618 -11.5618 -11.5263 -11.5263 -6.7065 -6.7065 -6.6248 -6.6248 -4.8780 -4.8780 -4.7809 -4.7809 -4.0347 -4.0347 -3.9699 -3.9699 -3.9518 -3.9518 -3.9042 -3.9042 -1.7490 -1.7490 -1.6252 -1.6252 -1.3612 -1.3612 -1.3271 -1.3271 -0.7188 -0.7188 -0.6447 -0.6447 -0.4563 -0.4563 -0.2385 -0.2385 -0.1505 -0.1505 0.3791 0.3791 0.5667 0.5667 0.7916 0.7916 1.5090 1.5090 1.6392 1.6392 1.7816 1.7816 1.8852 1.8852 5.6936 5.6936 6.0062 6.0062 6.2429 6.2429 6.3454 6.3454 6.9666 6.9666 7.1662 7.1662 k =-0.5000 0.1239 0.5564 ( 6536 PWs) bands (ev): -21.6158 -21.6158 -21.6007 -21.6007 -11.5640 -11.5640 -11.5243 -11.5243 -6.7101 -6.7101 -6.6189 -6.6189 -4.8817 -4.8817 -4.7725 -4.7725 -4.0460 -4.0460 -3.9707 -3.9707 -3.9523 -3.9523 -3.9022 -3.9022 -1.7515 -1.7515 -1.6156 -1.6156 -1.3636 -1.3636 -1.3261 -1.3261 -0.7309 -0.7309 -0.6457 -0.6457 -0.4793 -0.4793 -0.2425 -0.2425 -0.1706 -0.1706 0.4124 0.4124 0.5688 0.5688 0.8132 0.8132 1.5044 1.5044 1.6366 1.6366 1.7893 1.7893 1.9171 1.9171 5.6767 5.6767 6.0215 6.0215 6.2387 6.2387 6.3528 6.3528 6.9686 6.9686 7.1936 7.1936 k =-0.5000 0.1239 0.5299 ( 6534 PWs) bands (ev): -21.6166 -21.6166 -21.5999 -21.5999 -11.5662 -11.5662 -11.5225 -11.5225 -6.7135 -6.7135 -6.6130 -6.6130 -4.8852 -4.8852 -4.7638 -4.7638 -4.0578 -4.0578 -3.9716 -3.9716 -3.9526 -3.9526 -3.9006 -3.9006 -1.7532 -1.7532 -1.6065 -1.6065 -1.3660 -1.3660 -1.3253 -1.3253 -0.7438 -0.7438 -0.6473 -0.6473 -0.5012 -0.5012 -0.2500 -0.2500 -0.1869 -0.1869 0.4443 0.4443 0.5733 0.5733 0.8342 0.8342 1.5007 1.5007 1.6329 1.6329 1.7968 1.7968 1.9516 1.9516 5.6614 5.6614 6.0360 6.0360 6.2348 6.2348 6.3602 6.3602 6.9718 6.9718 7.2225 7.2225 k =-0.5000 0.1239 0.5034 ( 6534 PWs) bands (ev): -21.6174 -21.6174 -21.5992 -21.5992 -11.5683 -11.5683 -11.5207 -11.5207 -6.7167 -6.7167 -6.6072 -6.6072 -4.8885 -4.8885 -4.7549 -4.7549 -4.0701 -4.0701 -3.9726 -3.9726 -3.9528 -3.9528 -3.8993 -3.8993 -1.7541 -1.7541 -1.5980 -1.5980 -1.3686 -1.3686 -1.3246 -1.3246 -0.7574 -0.7574 -0.6495 -0.6495 -0.5215 -0.5215 -0.2614 -0.2614 -0.1991 -0.1991 0.4742 0.4742 0.5804 0.5804 0.8546 0.8546 1.4976 1.4976 1.6286 1.6286 1.8042 1.8042 1.9882 1.9882 5.6479 5.6479 6.0498 6.0498 6.2314 6.2314 6.3675 6.3675 6.9761 6.9761 7.2530 7.2530 k =-0.5000 0.1239 0.4770 ( 6534 PWs) bands (ev): -21.6181 -21.6181 -21.5985 -21.5985 -11.5704 -11.5704 -11.5190 -11.5190 -6.7197 -6.7197 -6.6015 -6.6015 -4.8916 -4.8916 -4.7458 -4.7458 -4.0827 -4.0827 -3.9736 -3.9736 -3.9530 -3.9530 -3.8984 -3.8984 -1.7543 -1.7543 -1.5902 -1.5902 -1.3714 -1.3714 -1.3239 -1.3239 -0.7714 -0.7714 -0.6525 -0.6525 -0.5398 -0.5398 -0.2759 -0.2759 -0.2080 -0.2080 0.5013 0.5013 0.5908 0.5908 0.8741 0.8741 1.4952 1.4952 1.6238 1.6238 1.8114 1.8114 2.0260 2.0260 5.6363 5.6363 6.0629 6.0629 6.2283 6.2283 6.3747 6.3747 6.9813 6.9813 7.2850 7.2850 k =-0.5000 0.1239 0.4505 ( 6534 PWs) bands (ev): -21.6188 -21.6188 -21.5978 -21.5978 -11.5723 -11.5723 -11.5173 -11.5173 -6.7225 -6.7225 -6.5959 -6.5959 -4.8944 -4.8944 -4.7365 -4.7365 -4.0957 -4.0957 -3.9747 -3.9747 -3.9531 -3.9531 -3.8978 -3.8978 -1.7536 -1.7536 -1.5833 -1.5833 -1.3744 -1.3744 -1.3233 -1.3233 -0.7856 -0.7856 -0.6565 -0.6565 -0.5558 -0.5558 -0.2922 -0.2922 -0.2149 -0.2149 0.5247 0.5247 0.6051 0.6051 0.8927 0.8927 1.4933 1.4933 1.6187 1.6187 1.8183 1.8183 2.0647 2.0647 5.6269 5.6269 6.0752 6.0752 6.2257 6.2257 6.3818 6.3818 6.9871 6.9871 7.3185 7.3185 k =-0.5000 0.1239 0.4240 ( 6522 PWs) bands (ev): -21.6195 -21.6195 -21.5972 -21.5972 -11.5742 -11.5742 -11.5157 -11.5157 -6.7251 -6.7251 -6.5903 -6.5903 -4.8970 -4.8970 -4.7271 -4.7271 -4.1089 -4.1089 -3.9758 -3.9758 -3.9532 -3.9532 -3.8975 -3.8975 -1.7523 -1.7523 -1.5773 -1.5773 -1.3777 -1.3777 -1.3227 -1.3227 -0.7994 -0.7994 -0.6617 -0.6617 -0.5692 -0.5692 -0.3094 -0.3094 -0.2205 -0.2205 0.5439 0.5439 0.6236 0.6236 0.9102 0.9102 1.4920 1.4920 1.6133 1.6133 1.8250 1.8250 2.1037 2.1037 5.6197 5.6197 6.0870 6.0870 6.2235 6.2235 6.3888 6.3888 6.9934 6.9934 7.3537 7.3537 k =-0.5000 0.1239 0.3975 ( 6516 PWs) bands (ev): -21.6201 -21.6201 -21.5966 -21.5966 -11.5761 -11.5761 -11.5143 -11.5143 -6.7275 -6.7275 -6.5850 -6.5850 -4.8994 -4.8994 -4.7175 -4.7175 -4.1222 -4.1222 -3.9770 -3.9770 -3.9533 -3.9533 -3.8974 -3.8974 -1.7502 -1.7502 -1.5725 -1.5725 -1.3814 -1.3814 -1.3221 -1.3221 -0.8127 -0.8127 -0.6681 -0.6681 -0.5798 -0.5798 -0.3267 -0.3267 -0.2257 -0.2257 0.5592 0.5592 0.6456 0.6456 0.9266 0.9266 1.4910 1.4910 1.6079 1.6079 1.8315 1.8315 2.1424 2.1424 5.6150 5.6150 6.0981 6.0981 6.2216 6.2216 6.3956 6.3956 7.0001 7.0001 7.3904 7.3904 k =-0.5000 0.1239 0.3710 ( 6526 PWs) bands (ev): -21.6208 -21.6208 -21.5960 -21.5960 -11.5778 -11.5778 -11.5129 -11.5129 -6.7297 -6.7297 -6.5799 -6.5799 -4.9016 -4.9016 -4.7079 -4.7079 -4.1355 -4.1355 -3.9780 -3.9780 -3.9534 -3.9534 -3.8976 -3.8976 -1.7474 -1.7474 -1.5689 -1.5689 -1.3854 -1.3854 -1.3215 -1.3215 -0.8249 -0.8249 -0.6758 -0.6758 -0.5878 -0.5878 -0.3439 -0.3439 -0.2304 -0.2304 0.5719 0.5719 0.6699 0.6699 0.9418 0.9418 1.4904 1.4904 1.6023 1.6023 1.8378 1.8378 2.1804 2.1804 5.6126 5.6126 6.1087 6.1087 6.2202 6.2202 6.4021 6.4021 7.0070 7.0070 7.4288 7.4288 k =-0.5000 0.1239 0.3445 ( 6530 PWs) bands (ev): -21.6214 -21.6214 -21.5954 -21.5954 -11.5795 -11.5795 -11.5116 -11.5116 -6.7317 -6.7317 -6.5749 -6.5749 -4.9036 -4.9036 -4.6982 -4.6982 -4.1489 -4.1489 -3.9791 -3.9791 -3.9535 -3.9535 -3.8980 -3.8980 -1.7439 -1.7439 -1.5665 -1.5665 -1.3897 -1.3897 -1.3209 -1.3209 -0.8357 -0.8357 -0.6846 -0.6846 -0.5934 -0.5934 -0.3607 -0.3607 -0.2350 -0.2350 0.5829 0.5829 0.6951 0.6951 0.9556 0.9556 1.4901 1.4901 1.5967 1.5967 1.8437 1.8437 2.2172 2.2172 5.6126 5.6126 6.1187 6.1187 6.2192 6.2192 6.4085 6.4085 7.0140 7.0140 7.4689 7.4689 k =-0.5000 0.1239 0.3180 ( 6522 PWs) bands (ev): -21.6219 -21.6219 -21.5949 -21.5949 -11.5810 -11.5810 -11.5103 -11.5103 -6.7335 -6.7335 -6.5702 -6.5702 -4.9055 -4.9055 -4.6886 -4.6886 -4.1621 -4.1621 -3.9801 -3.9801 -3.9536 -3.9536 -3.8985 -3.8985 -1.7397 -1.7397 -1.5655 -1.5655 -1.3942 -1.3942 -1.3203 -1.3203 -0.8448 -0.8448 -0.6942 -0.6942 -0.5970 -0.5970 -0.3771 -0.3771 -0.2394 -0.2394 0.5928 0.5928 0.7205 0.7205 0.9682 0.9682 1.4901 1.4901 1.5912 1.5912 1.8494 1.8494 2.2524 2.2524 5.6148 5.6148 6.1282 6.1282 6.2185 6.2185 6.4145 6.4145 7.0209 7.0209 7.5110 7.5110 k =-0.5000 0.1239 0.2915 ( 6532 PWs) bands (ev): -21.6224 -21.6224 -21.5944 -21.5944 -11.5825 -11.5825 -11.5092 -11.5092 -6.7351 -6.7351 -6.5658 -6.5658 -4.9072 -4.9072 -4.6791 -4.6791 -4.1750 -4.1750 -3.9811 -3.9811 -3.9537 -3.9537 -3.8991 -3.8991 -1.7348 -1.7348 -1.5659 -1.5659 -1.3989 -1.3989 -1.3199 -1.3199 -0.8521 -0.8521 -0.7044 -0.7044 -0.5990 -0.5990 -0.3931 -0.3931 -0.2436 -0.2436 0.6019 0.6019 0.7456 0.7456 0.9792 0.9792 1.4904 1.4904 1.5856 1.5856 1.8547 1.8547 2.2858 2.2858 5.6192 5.6192 6.1371 6.1371 6.2182 6.2182 6.4203 6.4203 7.0277 7.0277 7.5552 7.5552 k =-0.5000 0.1239 0.2650 ( 6540 PWs) bands (ev): -21.6229 -21.6229 -21.5940 -21.5940 -11.5838 -11.5838 -11.5082 -11.5082 -6.7366 -6.7366 -6.5617 -6.5617 -4.9087 -4.9087 -4.6697 -4.6697 -4.1876 -4.1876 -3.9820 -3.9820 -3.9538 -3.9538 -3.8997 -3.8997 -1.7293 -1.7293 -1.5677 -1.5677 -1.4035 -1.4035 -1.3196 -1.3196 -0.8574 -0.8574 -0.7149 -0.7149 -0.5996 -0.5996 -0.4084 -0.4084 -0.2475 -0.2475 0.6103 0.6103 0.7701 0.7701 0.9888 0.9888 1.4909 1.4909 1.5801 1.5801 1.8596 1.8596 2.3169 2.3169 5.6254 5.6254 6.1454 6.1454 6.2183 6.2183 6.4256 6.4256 7.0341 7.0341 7.6016 7.6016 k =-0.5000 0.1239 0.2385 ( 6534 PWs) bands (ev): -21.6233 -21.6233 -21.5936 -21.5936 -11.5851 -11.5851 -11.5073 -11.5073 -6.7379 -6.7379 -6.5579 -6.5579 -4.9100 -4.9100 -4.6606 -4.6606 -4.1998 -4.1998 -3.9829 -3.9829 -3.9539 -3.9539 -3.9005 -3.9005 -1.7232 -1.7232 -1.5709 -1.5709 -1.4079 -1.4079 -1.3194 -1.3194 -0.8608 -0.8608 -0.7255 -0.7255 -0.5991 -0.5991 -0.4231 -0.4231 -0.2512 -0.2512 0.6181 0.6181 0.7936 0.7936 0.9969 0.9969 1.4917 1.4917 1.5747 1.5747 1.8642 1.8642 2.3455 2.3455 5.6331 5.6331 6.1532 6.1532 6.2186 6.2186 6.4306 6.4306 7.0402 7.0402 7.6504 7.6504 k =-0.5000 0.1239 0.2120 ( 6536 PWs) bands (ev): -21.6237 -21.6237 -21.5932 -21.5932 -11.5862 -11.5862 -11.5064 -11.5064 -6.7391 -6.7391 -6.5544 -6.5544 -4.9112 -4.9112 -4.6519 -4.6519 -4.2113 -4.2113 -3.9837 -3.9837 -3.9540 -3.9540 -3.9012 -3.9012 -1.7164 -1.7164 -1.5755 -1.5755 -1.4120 -1.4120 -1.3194 -1.3194 -0.8622 -0.8622 -0.7361 -0.7361 -0.5977 -0.5977 -0.4372 -0.4372 -0.2546 -0.2546 0.6253 0.6253 0.8160 0.8160 1.0033 1.0033 1.4927 1.4927 1.5694 1.5694 1.8684 1.8684 2.3714 2.3714 5.6418 5.6418 6.1605 6.1605 6.2191 6.2191 6.4352 6.4352 7.0458 7.0458 7.7020 7.7020 k =-0.5000 0.1239 0.1855 ( 6550 PWs) bands (ev): -21.6241 -21.6241 -21.5929 -21.5929 -11.5872 -11.5872 -11.5057 -11.5057 -6.7401 -6.7401 -6.5513 -6.5513 -4.9122 -4.9122 -4.6437 -4.6437 -4.2220 -4.2220 -3.9844 -3.9844 -3.9541 -3.9541 -3.9019 -3.9019 -1.7091 -1.7091 -1.5814 -1.5814 -1.4156 -1.4156 -1.3195 -1.3195 -0.8618 -0.8618 -0.7466 -0.7466 -0.5956 -0.5956 -0.4504 -0.4504 -0.2577 -0.2577 0.6317 0.6317 0.8371 0.8371 1.0081 1.0081 1.4939 1.4939 1.5643 1.5643 1.8721 1.8721 2.3945 2.3945 5.6512 5.6512 6.1671 6.1671 6.2198 6.2198 6.4393 6.4393 7.0509 7.0509 7.7565 7.7565 k =-0.5000 0.1239 0.1590 ( 6552 PWs) bands (ev): -21.6244 -21.6244 -21.5927 -21.5927 -11.5881 -11.5881 -11.5050 -11.5050 -6.7409 -6.7409 -6.5485 -6.5485 -4.9131 -4.9131 -4.6362 -4.6362 -4.2318 -4.2318 -3.9850 -3.9850 -3.9542 -3.9542 -3.9026 -3.9026 -1.7013 -1.7013 -1.5885 -1.5885 -1.4188 -1.4188 -1.3197 -1.3197 -0.8599 -0.8599 -0.7570 -0.7570 -0.5928 -0.5928 -0.4628 -0.4628 -0.2604 -0.2604 0.6374 0.6374 0.8567 0.8567 1.0114 1.0114 1.4953 1.4953 1.5595 1.5595 1.8754 1.8754 2.4147 2.4147 5.6607 5.6607 6.1731 6.1731 6.2206 6.2206 6.4429 6.4429 7.0554 7.0554 7.8142 7.8142 k =-0.5000 0.1239 0.1325 ( 6532 PWs) bands (ev): -21.6246 -21.6246 -21.5924 -21.5924 -11.5888 -11.5888 -11.5045 -11.5045 -6.7416 -6.7416 -6.5462 -6.5462 -4.9138 -4.9138 -4.6294 -4.6294 -4.2406 -4.2406 -3.9856 -3.9856 -3.9543 -3.9543 -3.9032 -3.9032 -1.6929 -1.6929 -1.5965 -1.5965 -1.4214 -1.4214 -1.3200 -1.3200 -0.8565 -0.8565 -0.7672 -0.7672 -0.5895 -0.5895 -0.4742 -0.4742 -0.2628 -0.2628 0.6423 0.6423 0.8746 0.8746 1.0132 1.0132 1.4969 1.4969 1.5549 1.5549 1.8782 1.8782 2.4318 2.4318 5.6699 5.6699 6.1784 6.1784 6.2214 6.2214 6.4461 6.4461 7.0593 7.0593 7.8753 7.8753 k =-0.5000 0.1239 0.1060 ( 6524 PWs) bands (ev): -21.6249 -21.6249 -21.5922 -21.5922 -11.5894 -11.5894 -11.5040 -11.5040 -6.7422 -6.7422 -6.5442 -6.5442 -4.9144 -4.9144 -4.6235 -4.6235 -4.2480 -4.2480 -3.9860 -3.9860 -3.9544 -3.9544 -3.9037 -3.9037 -1.6840 -1.6840 -1.6053 -1.6053 -1.4235 -1.4235 -1.3204 -1.3204 -0.8519 -0.8519 -0.7771 -0.7771 -0.5859 -0.5859 -0.4845 -0.4845 -0.2647 -0.2647 0.6464 0.6464 0.8903 0.8903 1.0137 1.0137 1.4986 1.4986 1.5508 1.5508 1.8806 1.8806 2.4458 2.4458 5.6781 5.6781 6.1829 6.1829 6.2222 6.2222 6.4487 6.4487 7.0626 7.0626 7.9398 7.9398 k =-0.5000 0.1239 0.0795 ( 6528 PWs) bands (ev): -21.6250 -21.6250 -21.5921 -21.5921 -11.5899 -11.5899 -11.5036 -11.5036 -6.7427 -6.7427 -6.5427 -6.5427 -4.9149 -4.9149 -4.6188 -4.6188 -4.2540 -4.2540 -3.9864 -3.9864 -3.9544 -3.9544 -3.9041 -3.9041 -1.6748 -1.6748 -1.6147 -1.6147 -1.4251 -1.4251 -1.3207 -1.3207 -0.8466 -0.8466 -0.7865 -0.7865 -0.5824 -0.5824 -0.4932 -0.4932 -0.2663 -0.2663 0.6497 0.6497 0.9036 0.9036 1.0132 1.0132 1.5002 1.5002 1.5473 1.5473 1.8824 1.8824 2.4567 2.4567 5.6851 5.6851 6.1866 6.1866 6.2228 6.2228 6.4507 6.4507 7.0651 7.0651 8.0072 8.0072 k =-0.5000 0.1239 0.0530 ( 6526 PWs) bands (ev): -21.6251 -21.6251 -21.5920 -21.5920 -11.5902 -11.5902 -11.5034 -11.5034 -6.7430 -6.7430 -6.5416 -6.5416 -4.9152 -4.9152 -4.6153 -4.6153 -4.2585 -4.2585 -3.9866 -3.9866 -3.9544 -3.9544 -3.9045 -3.9045 -1.6652 -1.6652 -1.6245 -1.6245 -1.4262 -1.4262 -1.3209 -1.3209 -0.8409 -0.8409 -0.7949 -0.7949 -0.5792 -0.5792 -0.5001 -0.5001 -0.2674 -0.2674 0.6520 0.6520 0.9139 0.9139 1.0121 1.0121 1.5016 1.5016 1.5445 1.5445 1.8837 1.8837 2.4645 2.4645 5.6903 5.6903 6.1893 6.1893 6.2233 6.2233 6.4521 6.4521 7.0670 7.0670 8.0759 8.0759 k =-0.5000 0.1239 0.0265 ( 6534 PWs) bands (ev): -21.6252 -21.6252 -21.5919 -21.5919 -11.5905 -11.5905 -11.5033 -11.5033 -6.7432 -6.7432 -6.5410 -6.5410 -4.9154 -4.9154 -4.6131 -4.6131 -4.2612 -4.2612 -3.9868 -3.9868 -3.9545 -3.9545 -3.9047 -3.9047 -1.6556 -1.6556 -1.6344 -1.6344 -1.4268 -1.4268 -1.3211 -1.3211 -0.8359 -0.8359 -0.8015 -0.8015 -0.5769 -0.5769 -0.5046 -0.5046 -0.2680 -0.2680 0.6534 0.6534 0.9204 0.9204 1.0110 1.0110 1.5025 1.5025 1.5427 1.5427 1.8845 1.8845 2.4691 2.4691 5.6936 5.6936 6.1909 6.1909 6.2236 6.2236 6.4530 6.4530 7.0681 7.0681 8.1395 8.1395 k =-0.5000 0.1239 0.0000 ( 6538 PWs) bands (ev): -21.6252 -21.6252 -21.5919 -21.5919 -11.5905 -11.5905 -11.5032 -11.5032 -6.7432 -6.7432 -6.5407 -6.5407 -4.9155 -4.9155 -4.6124 -4.6124 -4.2621 -4.2621 -3.9868 -3.9868 -3.9545 -3.9545 -3.9047 -3.9047 -1.6482 -1.6482 -1.6418 -1.6418 -1.4270 -1.4270 -1.3211 -1.3211 -0.8337 -0.8337 -0.8042 -0.8042 -0.5761 -0.5761 -0.5062 -0.5062 -0.2683 -0.2683 0.6539 0.6539 0.9227 0.9227 1.0106 1.0106 1.5029 1.5029 1.5421 1.5421 1.8848 1.8848 2.4707 2.4707 5.6947 5.6947 6.1915 6.1915 6.2237 6.2237 6.4533 6.4533 7.0685 7.0685 8.1718 8.1718 k = 0.0000 0.0000 0.7949 ( 6558 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5400 -11.5400 -11.5400 -11.5400 -6.7502 -6.7502 -6.7502 -6.7502 -4.6409 -4.6409 -4.6409 -4.6409 -4.0042 -4.0042 -4.0042 -4.0042 -3.9554 -3.9554 -3.9554 -3.9554 -1.7586 -1.7586 -1.7586 -1.7586 -1.3314 -1.3314 -1.3314 -1.3314 -0.7511 -0.7511 -0.7511 -0.7511 -0.2836 -0.2836 -0.2836 -0.2836 0.1128 0.1128 0.1128 0.1128 0.6328 0.6328 0.6328 0.6328 1.5734 1.5734 1.5734 1.5734 1.7324 1.7324 1.7324 1.7324 5.8283 5.8283 5.8283 5.8283 6.3623 6.3623 6.3623 6.3623 7.3936 7.3936 7.3936 7.3936 k =-0.0250 0.0062 0.7949 ( 6566 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5400 -11.5400 -11.5400 -11.5400 -6.7497 -6.7497 -6.7497 -6.7497 -4.6422 -4.6422 -4.6422 -4.6422 -4.0039 -4.0039 -4.0039 -4.0039 -3.9553 -3.9553 -3.9553 -3.9553 -1.7582 -1.7582 -1.7582 -1.7582 -1.3315 -1.3315 -1.3315 -1.3315 -0.7506 -0.7506 -0.7506 -0.7506 -0.2837 -0.2837 -0.2837 -0.2837 0.1127 0.1127 0.1127 0.1127 0.6328 0.6328 0.6328 0.6328 1.5735 1.5735 1.5735 1.5735 1.7325 1.7325 1.7325 1.7325 5.8285 5.8285 5.8285 5.8285 6.3618 6.3618 6.3618 6.3618 7.3909 7.3909 7.3909 7.3909 k =-0.0500 0.0124 0.7949 ( 6556 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5401 -11.5401 -11.5401 -11.5401 -6.7483 -6.7483 -6.7483 -6.7483 -4.6460 -4.6460 -4.6460 -4.6460 -4.0030 -4.0030 -4.0030 -4.0030 -3.9550 -3.9550 -3.9550 -3.9550 -1.7571 -1.7571 -1.7571 -1.7571 -1.3316 -1.3316 -1.3316 -1.3316 -0.7489 -0.7489 -0.7489 -0.7489 -0.2838 -0.2838 -0.2838 -0.2838 0.1123 0.1123 0.1123 0.1123 0.6328 0.6328 0.6328 0.6328 1.5738 1.5738 1.5738 1.5738 1.7329 1.7329 1.7329 1.7329 5.8290 5.8290 5.8290 5.8290 6.3604 6.3604 6.3604 6.3604 7.3829 7.3829 7.3829 7.3829 k =-0.0750 0.0186 0.7949 ( 6552 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5402 -11.5402 -11.5402 -11.5402 -6.7461 -6.7461 -6.7461 -6.7461 -4.6523 -4.6523 -4.6523 -4.6523 -4.0015 -4.0015 -4.0015 -4.0015 -3.9545 -3.9545 -3.9545 -3.9545 -1.7553 -1.7553 -1.7553 -1.7553 -1.3320 -1.3320 -1.3320 -1.3320 -0.7463 -0.7463 -0.7463 -0.7463 -0.2840 -0.2840 -0.2840 -0.2840 0.1117 0.1117 0.1117 0.1117 0.6327 0.6327 0.6327 0.6327 1.5742 1.5742 1.5742 1.5742 1.7335 1.7335 1.7335 1.7335 5.8299 5.8299 5.8299 5.8299 6.3580 6.3580 6.3580 6.3580 7.3698 7.3698 7.3698 7.3698 k =-0.1000 0.0248 0.7949 ( 6556 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5403 -11.5403 -11.5403 -11.5403 -6.7430 -6.7430 -6.7430 -6.7430 -4.6608 -4.6608 -4.6608 -4.6608 -3.9996 -3.9996 -3.9996 -3.9996 -3.9538 -3.9538 -3.9538 -3.9538 -1.7528 -1.7528 -1.7528 -1.7528 -1.3324 -1.3324 -1.3324 -1.3324 -0.7426 -0.7426 -0.7426 -0.7426 -0.2843 -0.2843 -0.2843 -0.2843 0.1109 0.1109 0.1109 0.1109 0.6325 0.6325 0.6325 0.6325 1.5748 1.5748 1.5748 1.5748 1.7343 1.7343 1.7343 1.7343 5.8310 5.8310 5.8310 5.8310 6.3549 6.3549 6.3549 6.3549 7.3521 7.3521 7.3521 7.3521 k =-0.1250 0.0310 0.7949 ( 6552 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5405 -11.5405 -11.5405 -11.5405 -6.7391 -6.7391 -6.7391 -6.7391 -4.6713 -4.6713 -4.6713 -4.6713 -3.9974 -3.9974 -3.9974 -3.9974 -3.9530 -3.9530 -3.9530 -3.9530 -1.7497 -1.7497 -1.7497 -1.7497 -1.3329 -1.3329 -1.3329 -1.3329 -0.7381 -0.7381 -0.7381 -0.7381 -0.2846 -0.2846 -0.2846 -0.2846 0.1099 0.1099 0.1099 0.1099 0.6323 0.6323 0.6323 0.6323 1.5756 1.5756 1.5756 1.5756 1.7354 1.7354 1.7354 1.7354 5.8324 5.8324 5.8324 5.8324 6.3509 6.3509 6.3509 6.3509 7.3305 7.3305 7.3305 7.3305 k =-0.1500 0.0372 0.7949 ( 6552 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5407 -11.5407 -11.5407 -11.5407 -6.7345 -6.7345 -6.7345 -6.7345 -4.6835 -4.6835 -4.6835 -4.6835 -3.9950 -3.9950 -3.9950 -3.9950 -3.9519 -3.9519 -3.9519 -3.9519 -1.7462 -1.7462 -1.7462 -1.7462 -1.3336 -1.3336 -1.3336 -1.3336 -0.7327 -0.7327 -0.7327 -0.7327 -0.2851 -0.2851 -0.2851 -0.2851 0.1086 0.1086 0.1086 0.1086 0.6321 0.6321 0.6321 0.6321 1.5764 1.5764 1.5764 1.5764 1.7367 1.7367 1.7367 1.7367 5.8341 5.8341 5.8341 5.8341 6.3463 6.3463 6.3463 6.3463 7.3056 7.3056 7.3056 7.3056 k =-0.1750 0.0434 0.7949 ( 6556 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5410 -11.5410 -11.5410 -11.5410 -6.7294 -6.7294 -6.7294 -6.7294 -4.6971 -4.6971 -4.6971 -4.6971 -3.9925 -3.9925 -3.9925 -3.9925 -3.9506 -3.9506 -3.9506 -3.9506 -1.7422 -1.7422 -1.7422 -1.7422 -1.3343 -1.3343 -1.3343 -1.3343 -0.7267 -0.7267 -0.7267 -0.7267 -0.2855 -0.2855 -0.2855 -0.2855 0.1072 0.1072 0.1072 0.1072 0.6319 0.6319 0.6319 0.6319 1.5773 1.5773 1.5773 1.5773 1.7382 1.7382 1.7382 1.7382 5.8360 5.8360 5.8360 5.8360 6.3412 6.3412 6.3412 6.3412 7.2782 7.2782 7.2782 7.2782 k =-0.2000 0.0496 0.7949 ( 6560 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5412 -11.5412 -11.5412 -11.5412 -6.7237 -6.7237 -6.7237 -6.7237 -4.7117 -4.7117 -4.7117 -4.7117 -3.9900 -3.9900 -3.9900 -3.9900 -3.9492 -3.9492 -3.9492 -3.9492 -1.7380 -1.7380 -1.7380 -1.7380 -1.3350 -1.3350 -1.3350 -1.3350 -0.7200 -0.7200 -0.7200 -0.7200 -0.2860 -0.2860 -0.2860 -0.2860 0.1056 0.1056 0.1056 0.1056 0.6316 0.6316 0.6316 0.6316 1.5781 1.5781 1.5781 1.5781 1.7399 1.7399 1.7399 1.7399 5.8381 5.8381 5.8381 5.8381 6.3357 6.3357 6.3357 6.3357 7.2492 7.2492 7.2492 7.2492 k =-0.2250 0.0558 0.7949 ( 6564 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5415 -11.5415 -11.5415 -11.5415 -6.7177 -6.7177 -6.7177 -6.7177 -4.7268 -4.7268 -4.7268 -4.7268 -3.9877 -3.9877 -3.9877 -3.9877 -3.9475 -3.9475 -3.9475 -3.9475 -1.7336 -1.7336 -1.7336 -1.7336 -1.3358 -1.3358 -1.3358 -1.3358 -0.7130 -0.7130 -0.7130 -0.7130 -0.2865 -0.2865 -0.2865 -0.2865 0.1039 0.1039 0.1039 0.1039 0.6313 0.6313 0.6313 0.6313 1.5789 1.5789 1.5789 1.5789 1.7418 1.7418 1.7418 1.7418 5.8403 5.8403 5.8403 5.8403 6.3299 6.3299 6.3299 6.3299 7.2192 7.2192 7.2192 7.2192 k =-0.2500 0.0620 0.7949 ( 6566 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5418 -11.5418 -11.5418 -11.5418 -6.7115 -6.7115 -6.7115 -6.7115 -4.7423 -4.7423 -4.7423 -4.7423 -3.9855 -3.9855 -3.9855 -3.9855 -3.9458 -3.9458 -3.9458 -3.9458 -1.7292 -1.7292 -1.7292 -1.7292 -1.3366 -1.3366 -1.3366 -1.3366 -0.7057 -0.7057 -0.7057 -0.7057 -0.2870 -0.2870 -0.2870 -0.2870 0.1022 0.1022 0.1022 0.1022 0.6311 0.6311 0.6311 0.6311 1.5797 1.5797 1.5797 1.5797 1.7438 1.7438 1.7438 1.7438 5.8425 5.8425 5.8425 5.8425 6.3241 6.3241 6.3241 6.3241 7.1890 7.1890 7.1890 7.1890 k =-0.2750 0.0682 0.7949 ( 6562 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5420 -11.5420 -11.5420 -11.5420 -6.7053 -6.7053 -6.7053 -6.7053 -4.7576 -4.7576 -4.7576 -4.7576 -3.9835 -3.9835 -3.9835 -3.9835 -3.9440 -3.9440 -3.9440 -3.9440 -1.7249 -1.7249 -1.7249 -1.7249 -1.3374 -1.3374 -1.3374 -1.3374 -0.6983 -0.6983 -0.6983 -0.6983 -0.2875 -0.2875 -0.2875 -0.2875 0.1004 0.1004 0.1004 0.1004 0.6308 0.6308 0.6308 0.6308 1.5804 1.5804 1.5804 1.5804 1.7459 1.7459 1.7459 1.7459 5.8447 5.8447 5.8447 5.8447 6.3183 6.3183 6.3183 6.3183 7.1594 7.1594 7.1594 7.1594 k =-0.3000 0.0744 0.7949 ( 6560 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5423 -11.5423 -11.5423 -11.5423 -6.6991 -6.6991 -6.6991 -6.6991 -4.7724 -4.7724 -4.7724 -4.7724 -3.9818 -3.9818 -3.9818 -3.9818 -3.9421 -3.9421 -3.9421 -3.9421 -1.7207 -1.7207 -1.7207 -1.7207 -1.3382 -1.3382 -1.3382 -1.3382 -0.6910 -0.6910 -0.6910 -0.6910 -0.2880 -0.2880 -0.2880 -0.2880 0.0986 0.0986 0.0986 0.0986 0.6305 0.6305 0.6305 0.6305 1.5810 1.5810 1.5810 1.5810 1.7480 1.7480 1.7480 1.7480 5.8469 5.8469 5.8469 5.8469 6.3126 6.3126 6.3126 6.3126 7.1311 7.1311 7.1311 7.1311 k =-0.3250 0.0806 0.7949 ( 6572 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5426 -11.5426 -11.5426 -11.5426 -6.6932 -6.6932 -6.6932 -6.6932 -4.7864 -4.7864 -4.7864 -4.7864 -3.9804 -3.9804 -3.9804 -3.9804 -3.9404 -3.9404 -3.9404 -3.9404 -1.7168 -1.7168 -1.7168 -1.7168 -1.3389 -1.3389 -1.3389 -1.3389 -0.6840 -0.6840 -0.6840 -0.6840 -0.2885 -0.2885 -0.2885 -0.2885 0.0968 0.0968 0.0968 0.0968 0.6302 0.6302 0.6302 0.6302 1.5815 1.5815 1.5815 1.5815 1.7501 1.7501 1.7501 1.7501 5.8489 5.8489 5.8489 5.8489 6.3074 6.3074 6.3074 6.3074 7.1046 7.1046 7.1046 7.1046 k =-0.3500 0.0868 0.7949 ( 6568 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5428 -11.5428 -11.5428 -11.5428 -6.6876 -6.6876 -6.6876 -6.6876 -4.7992 -4.7992 -4.7992 -4.7992 -3.9792 -3.9792 -3.9792 -3.9792 -3.9387 -3.9387 -3.9387 -3.9387 -1.7132 -1.7132 -1.7132 -1.7132 -1.3395 -1.3395 -1.3395 -1.3395 -0.6775 -0.6775 -0.6775 -0.6775 -0.2889 -0.2889 -0.2889 -0.2889 0.0952 0.0952 0.0952 0.0952 0.6300 0.6300 0.6300 0.6300 1.5820 1.5820 1.5820 1.5820 1.7520 1.7520 1.7520 1.7520 5.8509 5.8509 5.8509 5.8509 6.3026 6.3026 6.3026 6.3026 7.0805 7.0805 7.0805 7.0805 k =-0.3750 0.0930 0.7949 ( 6566 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5430 -11.5430 -11.5430 -11.5430 -6.6827 -6.6827 -6.6827 -6.6827 -4.8107 -4.8107 -4.8107 -4.8107 -3.9781 -3.9781 -3.9781 -3.9781 -3.9372 -3.9372 -3.9372 -3.9372 -1.7101 -1.7101 -1.7101 -1.7101 -1.3401 -1.3401 -1.3401 -1.3401 -0.6717 -0.6717 -0.6717 -0.6717 -0.2892 -0.2892 -0.2892 -0.2892 0.0937 0.0937 0.0937 0.0937 0.6297 0.6297 0.6297 0.6297 1.5823 1.5823 1.5823 1.5823 1.7538 1.7538 1.7538 1.7538 5.8526 5.8526 5.8526 5.8526 6.2983 6.2983 6.2983 6.2983 7.0592 7.0592 7.0592 7.0592 k =-0.4000 0.0992 0.7949 ( 6562 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5432 -11.5432 -11.5432 -11.5432 -6.6784 -6.6784 -6.6784 -6.6784 -4.8204 -4.8204 -4.8204 -4.8204 -3.9774 -3.9774 -3.9774 -3.9774 -3.9359 -3.9359 -3.9359 -3.9359 -1.7075 -1.7075 -1.7075 -1.7075 -1.3406 -1.3406 -1.3406 -1.3406 -0.6666 -0.6666 -0.6666 -0.6666 -0.2895 -0.2895 -0.2895 -0.2895 0.0924 0.0924 0.0924 0.0924 0.6295 0.6295 0.6295 0.6295 1.5825 1.5825 1.5825 1.5825 1.7554 1.7554 1.7554 1.7554 5.8540 5.8540 5.8540 5.8540 6.2947 6.2947 6.2947 6.2947 7.0413 7.0413 7.0413 7.0413 k =-0.4250 0.1054 0.7949 ( 6558 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5433 -11.5433 -11.5433 -11.5433 -6.6749 -6.6749 -6.6749 -6.6749 -4.8282 -4.8282 -4.8282 -4.8282 -3.9768 -3.9768 -3.9768 -3.9768 -3.9348 -3.9348 -3.9348 -3.9348 -1.7054 -1.7054 -1.7054 -1.7054 -1.3410 -1.3410 -1.3410 -1.3410 -0.6625 -0.6625 -0.6625 -0.6625 -0.2898 -0.2898 -0.2898 -0.2898 0.0913 0.0913 0.0913 0.0913 0.6294 0.6294 0.6294 0.6294 1.5827 1.5827 1.5827 1.5827 1.7567 1.7567 1.7567 1.7567 5.8552 5.8552 5.8552 5.8552 6.2918 6.2918 6.2918 6.2918 7.0270 7.0270 7.0270 7.0270 k =-0.4500 0.1116 0.7949 ( 6556 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5434 -11.5434 -11.5434 -11.5434 -6.6724 -6.6724 -6.6724 -6.6724 -4.8339 -4.8339 -4.8339 -4.8339 -3.9763 -3.9763 -3.9763 -3.9763 -3.9341 -3.9341 -3.9341 -3.9341 -1.7038 -1.7038 -1.7038 -1.7038 -1.3413 -1.3413 -1.3413 -1.3413 -0.6595 -0.6595 -0.6595 -0.6595 -0.2899 -0.2899 -0.2899 -0.2899 0.0905 0.0905 0.0905 0.0905 0.6293 0.6293 0.6293 0.6293 1.5828 1.5828 1.5828 1.5828 1.7576 1.7576 1.7576 1.7576 5.8561 5.8561 5.8561 5.8561 6.2897 6.2897 6.2897 6.2897 7.0165 7.0165 7.0165 7.0165 k =-0.4750 0.1178 0.7949 ( 6566 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5435 -11.5435 -11.5435 -11.5435 -6.6708 -6.6708 -6.6708 -6.6708 -4.8373 -4.8373 -4.8373 -4.8373 -3.9761 -3.9761 -3.9761 -3.9761 -3.9336 -3.9336 -3.9336 -3.9336 -1.7029 -1.7029 -1.7029 -1.7029 -1.3415 -1.3415 -1.3415 -1.3415 -0.6577 -0.6577 -0.6577 -0.6577 -0.2901 -0.2901 -0.2901 -0.2901 0.0901 0.0901 0.0901 0.0901 0.6292 0.6292 0.6292 0.6292 1.5829 1.5829 1.5829 1.5829 1.7582 1.7582 1.7582 1.7582 5.8566 5.8566 5.8566 5.8566 6.2885 6.2885 6.2885 6.2885 7.0102 7.0102 7.0102 7.0102 k =-0.5000 0.1239 0.7949 ( 6560 PWs) bands (ev): -21.6082 -21.6082 -21.6082 -21.6082 -11.5435 -11.5435 -11.5435 -11.5435 -6.6703 -6.6703 -6.6703 -6.6703 -4.8385 -4.8385 -4.8385 -4.8385 -3.9760 -3.9760 -3.9760 -3.9760 -3.9334 -3.9334 -3.9334 -3.9334 -1.7026 -1.7026 -1.7026 -1.7026 -1.3416 -1.3416 -1.3416 -1.3416 -0.6571 -0.6571 -0.6571 -0.6571 -0.2901 -0.2901 -0.2901 -0.2901 0.0899 0.0899 0.0899 0.0899 0.6292 0.6292 0.6292 0.6292 1.5829 1.5829 1.5829 1.5829 1.7584 1.7584 1.7584 1.7584 5.8567 5.8567 5.8567 5.8567 6.2880 6.2880 6.2880 6.2880 7.0081 7.0081 7.0081 7.0081 Writing output data file AuCClO.save init_run : 0.85s CPU 1.41s WALL ( 1 calls) electrons : 464.72s CPU 470.38s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.06s CPU 0.15s WALL ( 1 calls) Called by electrons: c_bands : 464.72s CPU 470.37s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.16s CPU 0.24s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.14s CPU 0.16s WALL ( 348 calls) cegterg : 424.91s CPU 428.49s WALL ( 427 calls) Called by sum_band: Called by *egterg: h_psi : 310.55s CPU 313.62s WALL ( 7352 calls) s_psi : 22.08s CPU 22.01s WALL ( 7352 calls) g_psi : 0.50s CPU 0.61s WALL ( 6577 calls) cdiaghg : 79.30s CPU 80.27s WALL ( 6925 calls) cegterg:over : 17.14s CPU 17.17s WALL ( 6577 calls) cegterg:upda : 13.60s CPU 13.53s WALL ( 6577 calls) cegterg:last : 8.48s CPU 8.49s WALL ( 1471 calls) cdiaghg:chol : 4.74s CPU 4.67s WALL ( 6925 calls) cdiaghg:inve : 3.31s CPU 3.38s WALL ( 6925 calls) cdiaghg:para : 5.36s CPU 5.57s WALL ( 13850 calls) Called by h_psi: h_psi:vloc : 281.60s CPU 284.46s WALL ( 7352 calls) h_psi:vnl : 28.33s CPU 28.52s WALL ( 7352 calls) add_vuspsi : 14.48s CPU 14.59s WALL ( 7352 calls) General routines calbec : 13.83s CPU 13.91s WALL ( 7352 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 257.27s CPU 259.48s WALL ( 1269124 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.31s CPU 0.44s WALL ( 696 calls) Parallel routines fft_scatter : 58.86s CPU 59.81s WALL ( 1269147 calls) PWSCF : 8m14.17s CPU 8m54.67s WALL This run was terminated on: 16:44:43 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=