Program PWSCF v.5.1.1 starts on 3Jun2016 at 17:28:29 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./SrHfO3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 31 18 5 925 412 69 Max 32 19 6 931 439 74 Sum 1489 885 277 44581 20319 3407 bravais-lattice index = 14 lattice parameter (alat) = 7.6419 a.u. unit-cell volume = 453.4542 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.641863 celldm(2)= 1.000000 celldm(3)= 1.016098 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.016098 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.984157 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 Hf 12.00 178.49000 Hf( 1.00) O 6.00 15.99940 O( 1.00) Sr 10.00 87.62000 Sr( 1.00) 8 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 90 deg rotation - cart. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 90 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 6) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 7) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 8) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_4v (4mm) there are 7 classes and 2 irreducible representations the character table: E -E 2C4 -2C4 C2 2s_v 2s_d -C2 -2s_v -2s_d G_6 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 G_7 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C4 3 4 2s_v-2s_v 5 -5 6 -6 2s_d-2s_d 7 -7 -8 8 -E -1 -2C4 -3 -4 Cartesian axes number of k points= 392 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0025510 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0025510 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0025510 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0025510 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0025510 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0025510 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0025510 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0025510 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0025510 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0025510 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0025510 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0025510 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0025510 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0025510 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0025510 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0025510 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0025510 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0025510 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0025510 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0025510 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0025510 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0025510 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0025510 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0025510 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0025510 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0025510 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0025510 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0025510 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0025510 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0025510 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0025510 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0025510 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0025510 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0025510 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0025510 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0025510 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0025510 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0025510 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025510 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025510 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0025510 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0025510 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0025510 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0025510 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0025510 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0025510 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0025510 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0025510 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0025510 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0025510 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0025510 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0025510 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0025510 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0025510 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0025510 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0025510 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0025510 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0025510 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0025510 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0025510 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0025510 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0025510 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0025510 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0025510 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0025510 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0025510 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0025510 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0025510 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0025510 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0025510 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0025510 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0025510 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0025510 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0025510 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0025510 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0025510 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0025510 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0025510 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025510 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025510 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0025510 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0025510 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0025510 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0025510 k( 86) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0025510 k( 87) = ( 0.4454546 0.4454545 -0.0000000), wk = 0.0025510 k( 88) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0025510 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0025510 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0025510 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0025510 k( 92) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0025510 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0025510 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0025510 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0025510 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0025510 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0025510 k( 98) = ( 0.3454546 0.3454545 -0.0000000), wk = 0.0025510 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0025510 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0025510 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0025510 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0025510 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0025510 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0025510 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0025510 k( 106) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0025510 k( 107) = ( 0.2636364 0.2636364 -0.0000000), wk = 0.0025510 k( 108) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0025510 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0025510 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0025510 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0025510 k( 112) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0025510 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0025510 k( 114) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0025510 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0025510 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0025510 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0025510 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0025510 k( 119) = ( 0.1545455 0.1545454 -0.0000000), wk = 0.0025510 k( 120) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0025510 k( 121) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0025510 k( 122) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0025510 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0025510 k( 124) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0025510 k( 125) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0025510 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0025510 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0025510 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0025510 k( 129) = ( 0.0636364 0.0636364 -0.0000000), wk = 0.0025510 k( 130) = ( 0.0545455 0.0545454 -0.0000000), wk = 0.0025510 k( 131) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0025510 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0025510 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0025510 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0025510 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0025510 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 138) = ( 0.0000000 0.0000000 0.0126174), wk = 0.0025510 k( 139) = ( 0.0000000 0.0000000 0.0252348), wk = 0.0025510 k( 140) = ( 0.0000000 0.0000000 0.0378522), wk = 0.0025510 k( 141) = ( 0.0000000 0.0000000 0.0504696), wk = 0.0025510 k( 142) = ( 0.0000000 0.0000000 0.0630870), wk = 0.0025510 k( 143) = ( 0.0000000 0.0000000 0.0757044), wk = 0.0025510 k( 144) = ( 0.0000000 0.0000000 0.0883218), wk = 0.0025510 k( 145) = ( 0.0000000 0.0000000 0.1009391), wk = 0.0025510 k( 146) = ( 0.0000000 0.0000000 0.1135566), wk = 0.0025510 k( 147) = ( 0.0000000 0.0000000 0.1261739), wk = 0.0025510 k( 148) = ( 0.0000000 0.0000000 0.1387913), wk = 0.0025510 k( 149) = ( 0.0000000 0.0000000 0.1514087), wk = 0.0025510 k( 150) = ( 0.0000000 0.0000000 0.1640261), wk = 0.0025510 k( 151) = ( 0.0000000 0.0000000 0.1766435), wk = 0.0025510 k( 152) = ( 0.0000000 0.0000000 0.1892609), wk = 0.0025510 k( 153) = ( 0.0000000 0.0000000 0.2018783), wk = 0.0025510 k( 154) = ( 0.0000000 0.0000000 0.2144957), wk = 0.0025510 k( 155) = ( 0.0000000 0.0000000 0.2271131), wk = 0.0025510 k( 156) = ( 0.0000000 0.0000000 0.2397305), wk = 0.0025510 k( 157) = ( 0.0000000 0.0000000 0.2523479), wk = 0.0025510 k( 158) = ( 0.0000000 0.0000000 0.2649653), wk = 0.0025510 k( 159) = ( 0.0000000 0.0000000 0.2775827), wk = 0.0025510 k( 160) = ( 0.0000000 0.0000000 0.2902001), wk = 0.0025510 k( 161) = ( 0.0000000 0.0000000 0.3028175), wk = 0.0025510 k( 162) = ( 0.0000000 0.0000000 0.3154348), wk = 0.0025510 k( 163) = ( 0.0000000 0.0000000 0.3280522), wk = 0.0025510 k( 164) = ( 0.0000000 0.0000000 0.3406696), wk = 0.0025510 k( 165) = ( 0.0000000 0.0000000 0.3532870), wk = 0.0025510 k( 166) = ( 0.0000000 0.0000000 0.3659044), wk = 0.0025510 k( 167) = ( 0.0000000 0.0000000 0.3785218), wk = 0.0025510 k( 168) = ( 0.0000000 0.0000000 0.3911392), wk = 0.0025510 k( 169) = ( 0.0000000 0.0000000 0.4037566), wk = 0.0025510 k( 170) = ( 0.0000000 0.0000000 0.4163740), wk = 0.0025510 k( 171) = ( 0.0000000 0.0000000 0.4289914), wk = 0.0025510 k( 172) = ( 0.0000000 0.0000000 0.4416088), wk = 0.0025510 k( 173) = ( 0.0000000 0.0000000 0.4542262), wk = 0.0025510 k( 174) = ( 0.0000000 0.0000000 0.4668436), wk = 0.0025510 k( 175) = ( 0.0000000 0.0000000 0.4794610), wk = 0.0025510 k( 176) = ( 0.0000000 0.0000000 0.4920784), wk = 0.0025510 k( 177) = ( 0.0000000 0.0000000 0.4920784), wk = 0.0025510 k( 178) = ( 0.0000000 0.0128205 0.4920784), wk = 0.0025510 k( 179) = ( 0.0000000 0.0256410 0.4920784), wk = 0.0025510 k( 180) = ( 0.0000000 0.0384615 0.4920784), wk = 0.0025510 k( 181) = ( 0.0000000 0.0512821 0.4920784), wk = 0.0025510 k( 182) = ( 0.0000000 0.0641026 0.4920784), wk = 0.0025510 k( 183) = ( 0.0000000 0.0769231 0.4920784), wk = 0.0025510 k( 184) = ( 0.0000000 0.0897436 0.4920784), wk = 0.0025510 k( 185) = ( 0.0000000 0.1025641 0.4920784), wk = 0.0025510 k( 186) = ( 0.0000000 0.1153846 0.4920784), wk = 0.0025510 k( 187) = ( 0.0000000 0.1282051 0.4920784), wk = 0.0025510 k( 188) = ( 0.0000000 0.1410256 0.4920784), wk = 0.0025510 k( 189) = ( 0.0000000 0.1538461 0.4920784), wk = 0.0025510 k( 190) = ( 0.0000000 0.1666667 0.4920784), wk = 0.0025510 k( 191) = ( 0.0000000 0.1794872 0.4920784), wk = 0.0025510 k( 192) = ( 0.0000000 0.1923077 0.4920784), wk = 0.0025510 k( 193) = ( 0.0000000 0.2051282 0.4920784), wk = 0.0025510 k( 194) = ( 0.0000000 0.2179487 0.4920784), wk = 0.0025510 k( 195) = ( 0.0000000 0.2307692 0.4920784), wk = 0.0025510 k( 196) = ( 0.0000000 0.2435897 0.4920784), wk = 0.0025510 k( 197) = ( 0.0000000 0.2564103 0.4920784), wk = 0.0025510 k( 198) = ( 0.0000000 0.2692308 0.4920784), wk = 0.0025510 k( 199) = ( 0.0000000 0.2820513 0.4920784), wk = 0.0025510 k( 200) = ( 0.0000000 0.2948718 0.4920784), wk = 0.0025510 k( 201) = ( 0.0000000 0.3076923 0.4920784), wk = 0.0025510 k( 202) = ( 0.0000000 0.3205128 0.4920784), wk = 0.0025510 k( 203) = ( 0.0000000 0.3333333 0.4920784), wk = 0.0025510 k( 204) = ( 0.0000000 0.3461538 0.4920784), wk = 0.0025510 k( 205) = ( 0.0000000 0.3589744 0.4920784), wk = 0.0025510 k( 206) = ( 0.0000000 0.3717949 0.4920784), wk = 0.0025510 k( 207) = ( 0.0000000 0.3846154 0.4920784), wk = 0.0025510 k( 208) = ( 0.0000000 0.3974359 0.4920784), wk = 0.0025510 k( 209) = ( 0.0000000 0.4102564 0.4920784), wk = 0.0025510 k( 210) = ( 0.0000000 0.4230769 0.4920784), wk = 0.0025510 k( 211) = ( 0.0000000 0.4358974 0.4920784), wk = 0.0025510 k( 212) = ( 0.0000000 0.4487179 0.4920784), wk = 0.0025510 k( 213) = ( 0.0000000 0.4615385 0.4920784), wk = 0.0025510 k( 214) = ( 0.0000000 0.4743590 0.4920784), wk = 0.0025510 k( 215) = ( 0.0000000 0.4871795 0.4920784), wk = 0.0025510 k( 216) = ( 0.0000000 0.5000000 0.4920784), wk = 0.0025510 k( 217) = ( 0.0000000 0.5000000 0.4920784), wk = 0.0025510 k( 218) = ( 0.0128205 0.5000000 0.4920784), wk = 0.0025510 k( 219) = ( 0.0256410 0.5000000 0.4920784), wk = 0.0025510 k( 220) = ( 0.0384615 0.5000000 0.4920784), wk = 0.0025510 k( 221) = ( 0.0512821 0.5000000 0.4920784), wk = 0.0025510 k( 222) = ( 0.0641026 0.5000000 0.4920784), wk = 0.0025510 k( 223) = ( 0.0769231 0.5000000 0.4920784), wk = 0.0025510 k( 224) = ( 0.0897436 0.5000000 0.4920784), wk = 0.0025510 k( 225) = ( 0.1025641 0.5000000 0.4920784), wk = 0.0025510 k( 226) = ( 0.1153846 0.5000000 0.4920784), wk = 0.0025510 k( 227) = ( 0.1282051 0.5000000 0.4920784), wk = 0.0025510 k( 228) = ( 0.1410256 0.5000000 0.4920784), wk = 0.0025510 k( 229) = ( 0.1538461 0.5000000 0.4920784), wk = 0.0025510 k( 230) = ( 0.1666667 0.5000000 0.4920784), wk = 0.0025510 k( 231) = ( 0.1794872 0.5000000 0.4920784), wk = 0.0025510 k( 232) = ( 0.1923077 0.5000000 0.4920784), wk = 0.0025510 k( 233) = ( 0.2051282 0.5000000 0.4920784), wk = 0.0025510 k( 234) = ( 0.2179487 0.5000000 0.4920784), wk = 0.0025510 k( 235) = ( 0.2307692 0.5000000 0.4920784), wk = 0.0025510 k( 236) = ( 0.2435897 0.5000000 0.4920784), wk = 0.0025510 k( 237) = ( 0.2564103 0.5000000 0.4920784), wk = 0.0025510 k( 238) = ( 0.2692308 0.5000000 0.4920784), wk = 0.0025510 k( 239) = ( 0.2820513 0.5000000 0.4920784), wk = 0.0025510 k( 240) = ( 0.2948718 0.5000000 0.4920784), wk = 0.0025510 k( 241) = ( 0.3076923 0.5000000 0.4920784), wk = 0.0025510 k( 242) = ( 0.3205128 0.5000000 0.4920784), wk = 0.0025510 k( 243) = ( 0.3333333 0.5000000 0.4920784), wk = 0.0025510 k( 244) = ( 0.3461538 0.5000000 0.4920784), wk = 0.0025510 k( 245) = ( 0.3589744 0.5000000 0.4920784), wk = 0.0025510 k( 246) = ( 0.3717949 0.5000000 0.4920784), wk = 0.0025510 k( 247) = ( 0.3846154 0.5000000 0.4920784), wk = 0.0025510 k( 248) = ( 0.3974359 0.5000000 0.4920784), wk = 0.0025510 k( 249) = ( 0.4102564 0.5000000 0.4920784), wk = 0.0025510 k( 250) = ( 0.4230769 0.5000000 0.4920784), wk = 0.0025510 k( 251) = ( 0.4358974 0.5000000 0.4920784), wk = 0.0025510 k( 252) = ( 0.4487179 0.5000000 0.4920784), wk = 0.0025510 k( 253) = ( 0.4615385 0.5000000 0.4920784), wk = 0.0025510 k( 254) = ( 0.4743590 0.5000000 0.4920784), wk = 0.0025510 k( 255) = ( 0.4871795 0.5000000 0.4920784), wk = 0.0025510 k( 256) = ( 0.5000000 0.5000000 0.4920784), wk = 0.0025510 k( 257) = ( 0.5000000 0.5000000 0.4920784), wk = 0.0025510 k( 258) = ( 0.4909091 0.4909091 0.4920784), wk = 0.0025510 k( 259) = ( 0.4818182 0.4818182 0.4920784), wk = 0.0025510 k( 260) = ( 0.4727273 0.4727273 0.4920784), wk = 0.0025510 k( 261) = ( 0.4636364 0.4636364 0.4920784), wk = 0.0025510 k( 262) = ( 0.4545455 0.4545454 0.4920784), wk = 0.0025510 k( 263) = ( 0.4454546 0.4454545 0.4920784), wk = 0.0025510 k( 264) = ( 0.4363636 0.4363636 0.4920784), wk = 0.0025510 k( 265) = ( 0.4272727 0.4272727 0.4920784), wk = 0.0025510 k( 266) = ( 0.4181818 0.4181818 0.4920784), wk = 0.0025510 k( 267) = ( 0.4090909 0.4090909 0.4920784), wk = 0.0025510 k( 268) = ( 0.4000000 0.4000000 0.4920784), wk = 0.0025510 k( 269) = ( 0.3909091 0.3909091 0.4920784), wk = 0.0025510 k( 270) = ( 0.3818182 0.3818182 0.4920784), wk = 0.0025510 k( 271) = ( 0.3727273 0.3727273 0.4920784), wk = 0.0025510 k( 272) = ( 0.3636364 0.3636364 0.4920784), wk = 0.0025510 k( 273) = ( 0.3545454 0.3545454 0.4920784), wk = 0.0025510 k( 274) = ( 0.3454546 0.3454545 0.4920784), wk = 0.0025510 k( 275) = ( 0.3363636 0.3363636 0.4920784), wk = 0.0025510 k( 276) = ( 0.3272727 0.3272727 0.4920784), wk = 0.0025510 k( 277) = ( 0.3181818 0.3181818 0.4920784), wk = 0.0025510 k( 278) = ( 0.3090909 0.3090909 0.4920784), wk = 0.0025510 k( 279) = ( 0.3000000 0.3000000 0.4920784), wk = 0.0025510 k( 280) = ( 0.2909091 0.2909091 0.4920784), wk = 0.0025510 k( 281) = ( 0.2818182 0.2818182 0.4920784), wk = 0.0025510 k( 282) = ( 0.2727273 0.2727273 0.4920784), wk = 0.0025510 k( 283) = ( 0.2636364 0.2636364 0.4920784), wk = 0.0025510 k( 284) = ( 0.2545455 0.2545455 0.4920784), wk = 0.0025510 k( 285) = ( 0.2454545 0.2454545 0.4920784), wk = 0.0025510 k( 286) = ( 0.2363636 0.2363636 0.4920784), wk = 0.0025510 k( 287) = ( 0.2272727 0.2272727 0.4920784), wk = 0.0025510 k( 288) = ( 0.2181818 0.2181818 0.4920784), wk = 0.0025510 k( 289) = ( 0.2090909 0.2090909 0.4920784), wk = 0.0025510 k( 290) = ( 0.2000000 0.2000000 0.4920784), wk = 0.0025510 k( 291) = ( 0.1909091 0.1909091 0.4920784), wk = 0.0025510 k( 292) = ( 0.1818182 0.1818182 0.4920784), wk = 0.0025510 k( 293) = ( 0.1727273 0.1727273 0.4920784), wk = 0.0025510 k( 294) = ( 0.1636364 0.1636364 0.4920784), wk = 0.0025510 k( 295) = ( 0.1545455 0.1545454 0.4920784), wk = 0.0025510 k( 296) = ( 0.1454545 0.1454545 0.4920784), wk = 0.0025510 k( 297) = ( 0.1363636 0.1363636 0.4920784), wk = 0.0025510 k( 298) = ( 0.1272727 0.1272727 0.4920784), wk = 0.0025510 k( 299) = ( 0.1181818 0.1181818 0.4920784), wk = 0.0025510 k( 300) = ( 0.1090909 0.1090909 0.4920784), wk = 0.0025510 k( 301) = ( 0.1000000 0.1000000 0.4920784), wk = 0.0025510 k( 302) = ( 0.0909091 0.0909091 0.4920784), wk = 0.0025510 k( 303) = ( 0.0818182 0.0818182 0.4920784), wk = 0.0025510 k( 304) = ( 0.0727273 0.0727273 0.4920784), wk = 0.0025510 k( 305) = ( 0.0636364 0.0636364 0.4920784), wk = 0.0025510 k( 306) = ( 0.0545455 0.0545454 0.4920784), wk = 0.0025510 k( 307) = ( 0.0454546 0.0454545 0.4920784), wk = 0.0025510 k( 308) = ( 0.0363636 0.0363636 0.4920784), wk = 0.0025510 k( 309) = ( 0.0272727 0.0272727 0.4920784), wk = 0.0025510 k( 310) = ( 0.0181818 0.0181818 0.4920784), wk = 0.0025510 k( 311) = ( 0.0090909 0.0090909 0.4920784), wk = 0.0025510 k( 312) = ( 0.0000000 0.0000000 0.4920784), wk = 0.0025510 k( 313) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025510 k( 314) = ( 0.0000000 0.5000000 0.0126174), wk = 0.0025510 k( 315) = ( 0.0000000 0.5000000 0.0252348), wk = 0.0025510 k( 316) = ( 0.0000000 0.5000000 0.0378522), wk = 0.0025510 k( 317) = ( 0.0000000 0.5000000 0.0504696), wk = 0.0025510 k( 318) = ( 0.0000000 0.5000000 0.0630870), wk = 0.0025510 k( 319) = ( 0.0000000 0.5000000 0.0757044), wk = 0.0025510 k( 320) = ( 0.0000000 0.5000000 0.0883218), wk = 0.0025510 k( 321) = ( 0.0000000 0.5000000 0.1009391), wk = 0.0025510 k( 322) = ( 0.0000000 0.5000000 0.1135566), wk = 0.0025510 k( 323) = ( 0.0000000 0.5000000 0.1261739), wk = 0.0025510 k( 324) = ( 0.0000000 0.5000000 0.1387913), wk = 0.0025510 k( 325) = ( 0.0000000 0.5000000 0.1514087), wk = 0.0025510 k( 326) = ( 0.0000000 0.5000000 0.1640261), wk = 0.0025510 k( 327) = ( 0.0000000 0.5000000 0.1766435), wk = 0.0025510 k( 328) = ( 0.0000000 0.5000000 0.1892609), wk = 0.0025510 k( 329) = ( 0.0000000 0.5000000 0.2018783), wk = 0.0025510 k( 330) = ( 0.0000000 0.5000000 0.2144957), wk = 0.0025510 k( 331) = ( 0.0000000 0.5000000 0.2271131), wk = 0.0025510 k( 332) = ( 0.0000000 0.5000000 0.2397305), wk = 0.0025510 k( 333) = ( 0.0000000 0.5000000 0.2523479), wk = 0.0025510 k( 334) = ( 0.0000000 0.5000000 0.2649653), wk = 0.0025510 k( 335) = ( 0.0000000 0.5000000 0.2775827), wk = 0.0025510 k( 336) = ( 0.0000000 0.5000000 0.2902001), wk = 0.0025510 k( 337) = ( 0.0000000 0.5000000 0.3028175), wk = 0.0025510 k( 338) = ( 0.0000000 0.5000000 0.3154348), wk = 0.0025510 k( 339) = ( 0.0000000 0.5000000 0.3280522), wk = 0.0025510 k( 340) = ( 0.0000000 0.5000000 0.3406696), wk = 0.0025510 k( 341) = ( 0.0000000 0.5000000 0.3532870), wk = 0.0025510 k( 342) = ( 0.0000000 0.5000000 0.3659044), wk = 0.0025510 k( 343) = ( 0.0000000 0.5000000 0.3785218), wk = 0.0025510 k( 344) = ( 0.0000000 0.5000000 0.3911392), wk = 0.0025510 k( 345) = ( 0.0000000 0.5000000 0.4037566), wk = 0.0025510 k( 346) = ( 0.0000000 0.5000000 0.4163740), wk = 0.0025510 k( 347) = ( 0.0000000 0.5000000 0.4289914), wk = 0.0025510 k( 348) = ( 0.0000000 0.5000000 0.4416088), wk = 0.0025510 k( 349) = ( 0.0000000 0.5000000 0.4542262), wk = 0.0025510 k( 350) = ( 0.0000000 0.5000000 0.4668436), wk = 0.0025510 k( 351) = ( 0.0000000 0.5000000 0.4794610), wk = 0.0025510 k( 352) = ( 0.0000000 0.5000000 0.4920784), wk = 0.0025510 k( 353) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025510 k( 354) = ( 0.5000000 0.5000000 0.0126174), wk = 0.0025510 k( 355) = ( 0.5000000 0.5000000 0.0252348), wk = 0.0025510 k( 356) = ( 0.5000000 0.5000000 0.0378522), wk = 0.0025510 k( 357) = ( 0.5000000 0.5000000 0.0504696), wk = 0.0025510 k( 358) = ( 0.5000000 0.5000000 0.0630870), wk = 0.0025510 k( 359) = ( 0.5000000 0.5000000 0.0757044), wk = 0.0025510 k( 360) = ( 0.5000000 0.5000000 0.0883218), wk = 0.0025510 k( 361) = ( 0.5000000 0.5000000 0.1009391), wk = 0.0025510 k( 362) = ( 0.5000000 0.5000000 0.1135566), wk = 0.0025510 k( 363) = ( 0.5000000 0.5000000 0.1261739), wk = 0.0025510 k( 364) = ( 0.5000000 0.5000000 0.1387913), wk = 0.0025510 k( 365) = ( 0.5000000 0.5000000 0.1514087), wk = 0.0025510 k( 366) = ( 0.5000000 0.5000000 0.1640261), wk = 0.0025510 k( 367) = ( 0.5000000 0.5000000 0.1766435), wk = 0.0025510 k( 368) = ( 0.5000000 0.5000000 0.1892609), wk = 0.0025510 k( 369) = ( 0.5000000 0.5000000 0.2018783), wk = 0.0025510 k( 370) = ( 0.5000000 0.5000000 0.2144957), wk = 0.0025510 k( 371) = ( 0.5000000 0.5000000 0.2271131), wk = 0.0025510 k( 372) = ( 0.5000000 0.5000000 0.2397305), wk = 0.0025510 k( 373) = ( 0.5000000 0.5000000 0.2523479), wk = 0.0025510 k( 374) = ( 0.5000000 0.5000000 0.2649653), wk = 0.0025510 k( 375) = ( 0.5000000 0.5000000 0.2775827), wk = 0.0025510 k( 376) = ( 0.5000000 0.5000000 0.2902001), wk = 0.0025510 k( 377) = ( 0.5000000 0.5000000 0.3028175), wk = 0.0025510 k( 378) = ( 0.5000000 0.5000000 0.3154348), wk = 0.0025510 k( 379) = ( 0.5000000 0.5000000 0.3280522), wk = 0.0025510 k( 380) = ( 0.5000000 0.5000000 0.3406696), wk = 0.0025510 k( 381) = ( 0.5000000 0.5000000 0.3532870), wk = 0.0025510 k( 382) = ( 0.5000000 0.5000000 0.3659044), wk = 0.0025510 k( 383) = ( 0.5000000 0.5000000 0.3785218), wk = 0.0025510 k( 384) = ( 0.5000000 0.5000000 0.3911392), wk = 0.0025510 k( 385) = ( 0.5000000 0.5000000 0.4037566), wk = 0.0025510 k( 386) = ( 0.5000000 0.5000000 0.4163740), wk = 0.0025510 k( 387) = ( 0.5000000 0.5000000 0.4289914), wk = 0.0025510 k( 388) = ( 0.5000000 0.5000000 0.4416088), wk = 0.0025510 k( 389) = ( 0.5000000 0.5000000 0.4542262), wk = 0.0025510 k( 390) = ( 0.5000000 0.5000000 0.4668436), wk = 0.0025510 k( 391) = ( 0.5000000 0.5000000 0.4794610), wk = 0.0025510 k( 392) = ( 0.5000000 0.5000000 0.4920784), wk = 0.0025510 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 2) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0025510 k( 3) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0025510 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0025510 k( 5) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0025510 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0025510 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0025510 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0025510 k( 9) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0025510 k( 10) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0025510 k( 11) = ( 0.0000000 0.1282051 0.0000000), wk = 0.0025510 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0025510 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0025510 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0025510 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0025510 k( 16) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0025510 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0025510 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0025510 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0025510 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0025510 k( 21) = ( 0.0000000 0.2564103 0.0000000), wk = 0.0025510 k( 22) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0025510 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0025510 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0025510 k( 25) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0025510 k( 26) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0025510 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0025510 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0025510 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0025510 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0025510 k( 31) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0025510 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0025510 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0025510 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0025510 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0025510 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0025510 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0025510 k( 38) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0025510 k( 39) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0025510 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025510 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025510 k( 42) = ( 0.0128205 0.5000000 0.0000000), wk = 0.0025510 k( 43) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0025510 k( 44) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0025510 k( 45) = ( 0.0512821 0.5000000 0.0000000), wk = 0.0025510 k( 46) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0025510 k( 47) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0025510 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0025510 k( 49) = ( 0.1025641 0.5000000 0.0000000), wk = 0.0025510 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0025510 k( 51) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0025510 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0025510 k( 53) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0025510 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0025510 k( 55) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0025510 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0025510 k( 57) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0025510 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0025510 k( 59) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0025510 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0025510 k( 61) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0025510 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0025510 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0025510 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0025510 k( 65) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0025510 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0025510 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0025510 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0025510 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0025510 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0025510 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0025510 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0025510 k( 73) = ( 0.4102564 0.5000000 0.0000000), wk = 0.0025510 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0025510 k( 75) = ( 0.4358974 0.5000000 0.0000000), wk = 0.0025510 k( 76) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0025510 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0025510 k( 78) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0025510 k( 79) = ( 0.4871795 0.5000000 0.0000000), wk = 0.0025510 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025510 k( 81) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025510 k( 82) = ( 0.4909091 0.4909091 0.0000000), wk = 0.0025510 k( 83) = ( 0.4818182 0.4818182 0.0000000), wk = 0.0025510 k( 84) = ( 0.4727273 0.4727273 0.0000000), wk = 0.0025510 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0025510 k( 86) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0025510 k( 87) = ( 0.4454546 0.4454546 -0.0000000), wk = 0.0025510 k( 88) = ( 0.4363636 0.4363636 0.0000000), wk = 0.0025510 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0025510 k( 90) = ( 0.4181818 0.4181818 0.0000000), wk = 0.0025510 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0025510 k( 92) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0025510 k( 93) = ( 0.3909091 0.3909091 0.0000000), wk = 0.0025510 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0025510 k( 95) = ( 0.3727273 0.3727273 0.0000000), wk = 0.0025510 k( 96) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0025510 k( 97) = ( 0.3545454 0.3545454 0.0000000), wk = 0.0025510 k( 98) = ( 0.3454546 0.3454546 -0.0000000), wk = 0.0025510 k( 99) = ( 0.3363636 0.3363636 0.0000000), wk = 0.0025510 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0025510 k( 101) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0025510 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0025510 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0025510 k( 104) = ( 0.2909091 0.2909091 0.0000000), wk = 0.0025510 k( 105) = ( 0.2818182 0.2818182 0.0000000), wk = 0.0025510 k( 106) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0025510 k( 107) = ( 0.2636364 0.2636364 0.0000000), wk = 0.0025510 k( 108) = ( 0.2545455 0.2545455 0.0000000), wk = 0.0025510 k( 109) = ( 0.2454545 0.2454545 0.0000000), wk = 0.0025510 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0025510 k( 111) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0025510 k( 112) = ( 0.2181818 0.2181818 0.0000000), wk = 0.0025510 k( 113) = ( 0.2090909 0.2090909 0.0000000), wk = 0.0025510 k( 114) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0025510 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0025510 k( 116) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0025510 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0025510 k( 118) = ( 0.1636364 0.1636364 0.0000000), wk = 0.0025510 k( 119) = ( 0.1545455 0.1545455 -0.0000000), wk = 0.0025510 k( 120) = ( 0.1454545 0.1454545 0.0000000), wk = 0.0025510 k( 121) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0025510 k( 122) = ( 0.1272727 0.1272727 0.0000000), wk = 0.0025510 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0025510 k( 124) = ( 0.1090909 0.1090909 0.0000000), wk = 0.0025510 k( 125) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0025510 k( 126) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0025510 k( 127) = ( 0.0818182 0.0818182 0.0000000), wk = 0.0025510 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0025510 k( 129) = ( 0.0636364 0.0636364 0.0000000), wk = 0.0025510 k( 130) = ( 0.0545455 0.0545455 0.0000000), wk = 0.0025510 k( 131) = ( 0.0454546 0.0454546 -0.0000000), wk = 0.0025510 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0025510 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0025510 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0025510 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0025510 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 138) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0025510 k( 139) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0025510 k( 140) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0025510 k( 141) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0025510 k( 142) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0025510 k( 143) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0025510 k( 144) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0025510 k( 145) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0025510 k( 146) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0025510 k( 147) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0025510 k( 148) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0025510 k( 149) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0025510 k( 150) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025510 k( 151) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0025510 k( 152) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0025510 k( 153) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0025510 k( 154) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0025510 k( 155) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0025510 k( 156) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0025510 k( 157) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0025510 k( 158) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0025510 k( 159) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0025510 k( 160) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0025510 k( 161) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0025510 k( 162) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0025510 k( 163) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025510 k( 164) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0025510 k( 165) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0025510 k( 166) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0025510 k( 167) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0025510 k( 168) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0025510 k( 169) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0025510 k( 170) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0025510 k( 171) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0025510 k( 172) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0025510 k( 173) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0025510 k( 174) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0025510 k( 175) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0025510 k( 176) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 177) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 178) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0025510 k( 179) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0025510 k( 180) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0025510 k( 181) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0025510 k( 182) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0025510 k( 183) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0025510 k( 184) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0025510 k( 185) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0025510 k( 186) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0025510 k( 187) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0025510 k( 188) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0025510 k( 189) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0025510 k( 190) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0025510 k( 191) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0025510 k( 192) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0025510 k( 193) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0025510 k( 194) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0025510 k( 195) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0025510 k( 196) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0025510 k( 197) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0025510 k( 198) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0025510 k( 199) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0025510 k( 200) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0025510 k( 201) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0025510 k( 202) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0025510 k( 203) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0025510 k( 204) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0025510 k( 205) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0025510 k( 206) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0025510 k( 207) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0025510 k( 208) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0025510 k( 209) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0025510 k( 210) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0025510 k( 211) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0025510 k( 212) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0025510 k( 213) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0025510 k( 214) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0025510 k( 215) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0025510 k( 216) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025510 k( 217) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025510 k( 218) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0025510 k( 219) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0025510 k( 220) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0025510 k( 221) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0025510 k( 222) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0025510 k( 223) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0025510 k( 224) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0025510 k( 225) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0025510 k( 226) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0025510 k( 227) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0025510 k( 228) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0025510 k( 229) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0025510 k( 230) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0025510 k( 231) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0025510 k( 232) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0025510 k( 233) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0025510 k( 234) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0025510 k( 235) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0025510 k( 236) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0025510 k( 237) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0025510 k( 238) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0025510 k( 239) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0025510 k( 240) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0025510 k( 241) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0025510 k( 242) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0025510 k( 243) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0025510 k( 244) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0025510 k( 245) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0025510 k( 246) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0025510 k( 247) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0025510 k( 248) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0025510 k( 249) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0025510 k( 250) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0025510 k( 251) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0025510 k( 252) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0025510 k( 253) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0025510 k( 254) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0025510 k( 255) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0025510 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025510 k( 257) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025510 k( 258) = ( 0.4909091 0.4909091 0.5000000), wk = 0.0025510 k( 259) = ( 0.4818182 0.4818182 0.5000000), wk = 0.0025510 k( 260) = ( 0.4727273 0.4727273 0.5000000), wk = 0.0025510 k( 261) = ( 0.4636364 0.4636364 0.5000000), wk = 0.0025510 k( 262) = ( 0.4545455 0.4545455 0.5000000), wk = 0.0025510 k( 263) = ( 0.4454546 0.4454546 0.5000000), wk = 0.0025510 k( 264) = ( 0.4363636 0.4363636 0.5000000), wk = 0.0025510 k( 265) = ( 0.4272727 0.4272727 0.5000000), wk = 0.0025510 k( 266) = ( 0.4181818 0.4181818 0.5000000), wk = 0.0025510 k( 267) = ( 0.4090909 0.4090909 0.5000000), wk = 0.0025510 k( 268) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0025510 k( 269) = ( 0.3909091 0.3909091 0.5000000), wk = 0.0025510 k( 270) = ( 0.3818182 0.3818182 0.5000000), wk = 0.0025510 k( 271) = ( 0.3727273 0.3727273 0.5000000), wk = 0.0025510 k( 272) = ( 0.3636364 0.3636364 0.5000000), wk = 0.0025510 k( 273) = ( 0.3545454 0.3545454 0.5000000), wk = 0.0025510 k( 274) = ( 0.3454546 0.3454546 0.5000000), wk = 0.0025510 k( 275) = ( 0.3363636 0.3363636 0.5000000), wk = 0.0025510 k( 276) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0025510 k( 277) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0025510 k( 278) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0025510 k( 279) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0025510 k( 280) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0025510 k( 281) = ( 0.2818182 0.2818182 0.5000000), wk = 0.0025510 k( 282) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0025510 k( 283) = ( 0.2636364 0.2636364 0.5000000), wk = 0.0025510 k( 284) = ( 0.2545455 0.2545455 0.5000000), wk = 0.0025510 k( 285) = ( 0.2454545 0.2454545 0.5000000), wk = 0.0025510 k( 286) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0025510 k( 287) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0025510 k( 288) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0025510 k( 289) = ( 0.2090909 0.2090909 0.5000000), wk = 0.0025510 k( 290) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0025510 k( 291) = ( 0.1909091 0.1909091 0.5000000), wk = 0.0025510 k( 292) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0025510 k( 293) = ( 0.1727273 0.1727273 0.5000000), wk = 0.0025510 k( 294) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0025510 k( 295) = ( 0.1545455 0.1545455 0.5000000), wk = 0.0025510 k( 296) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0025510 k( 297) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0025510 k( 298) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0025510 k( 299) = ( 0.1181818 0.1181818 0.5000000), wk = 0.0025510 k( 300) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0025510 k( 301) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0025510 k( 302) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0025510 k( 303) = ( 0.0818182 0.0818182 0.5000000), wk = 0.0025510 k( 304) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0025510 k( 305) = ( 0.0636364 0.0636364 0.5000000), wk = 0.0025510 k( 306) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0025510 k( 307) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0025510 k( 308) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0025510 k( 309) = ( 0.0272727 0.0272727 0.5000000), wk = 0.0025510 k( 310) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0025510 k( 311) = ( 0.0090909 0.0090909 0.5000000), wk = 0.0025510 k( 312) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 313) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025510 k( 314) = ( 0.0000000 0.5000000 0.0128205), wk = 0.0025510 k( 315) = ( 0.0000000 0.5000000 0.0256410), wk = 0.0025510 k( 316) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0025510 k( 317) = ( 0.0000000 0.5000000 0.0512821), wk = 0.0025510 k( 318) = ( 0.0000000 0.5000000 0.0641026), wk = 0.0025510 k( 319) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0025510 k( 320) = ( 0.0000000 0.5000000 0.0897436), wk = 0.0025510 k( 321) = ( 0.0000000 0.5000000 0.1025641), wk = 0.0025510 k( 322) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0025510 k( 323) = ( 0.0000000 0.5000000 0.1282051), wk = 0.0025510 k( 324) = ( 0.0000000 0.5000000 0.1410256), wk = 0.0025510 k( 325) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0025510 k( 326) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0025510 k( 327) = ( 0.0000000 0.5000000 0.1794872), wk = 0.0025510 k( 328) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0025510 k( 329) = ( 0.0000000 0.5000000 0.2051282), wk = 0.0025510 k( 330) = ( 0.0000000 0.5000000 0.2179487), wk = 0.0025510 k( 331) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0025510 k( 332) = ( 0.0000000 0.5000000 0.2435897), wk = 0.0025510 k( 333) = ( 0.0000000 0.5000000 0.2564103), wk = 0.0025510 k( 334) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0025510 k( 335) = ( 0.0000000 0.5000000 0.2820513), wk = 0.0025510 k( 336) = ( 0.0000000 0.5000000 0.2948718), wk = 0.0025510 k( 337) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0025510 k( 338) = ( 0.0000000 0.5000000 0.3205128), wk = 0.0025510 k( 339) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0025510 k( 340) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0025510 k( 341) = ( 0.0000000 0.5000000 0.3589744), wk = 0.0025510 k( 342) = ( 0.0000000 0.5000000 0.3717949), wk = 0.0025510 k( 343) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0025510 k( 344) = ( 0.0000000 0.5000000 0.3974359), wk = 0.0025510 k( 345) = ( 0.0000000 0.5000000 0.4102564), wk = 0.0025510 k( 346) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0025510 k( 347) = ( 0.0000000 0.5000000 0.4358974), wk = 0.0025510 k( 348) = ( 0.0000000 0.5000000 0.4487179), wk = 0.0025510 k( 349) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0025510 k( 350) = ( 0.0000000 0.5000000 0.4743590), wk = 0.0025510 k( 351) = ( 0.0000000 0.5000000 0.4871795), wk = 0.0025510 k( 352) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025510 k( 353) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025510 k( 354) = ( 0.5000000 0.5000000 0.0128205), wk = 0.0025510 k( 355) = ( 0.5000000 0.5000000 0.0256410), wk = 0.0025510 k( 356) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0025510 k( 357) = ( 0.5000000 0.5000000 0.0512821), wk = 0.0025510 k( 358) = ( 0.5000000 0.5000000 0.0641026), wk = 0.0025510 k( 359) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0025510 k( 360) = ( 0.5000000 0.5000000 0.0897436), wk = 0.0025510 k( 361) = ( 0.5000000 0.5000000 0.1025641), wk = 0.0025510 k( 362) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0025510 k( 363) = ( 0.5000000 0.5000000 0.1282051), wk = 0.0025510 k( 364) = ( 0.5000000 0.5000000 0.1410256), wk = 0.0025510 k( 365) = ( 0.5000000 0.5000000 0.1538462), wk = 0.0025510 k( 366) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0025510 k( 367) = ( 0.5000000 0.5000000 0.1794872), wk = 0.0025510 k( 368) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0025510 k( 369) = ( 0.5000000 0.5000000 0.2051282), wk = 0.0025510 k( 370) = ( 0.5000000 0.5000000 0.2179487), wk = 0.0025510 k( 371) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0025510 k( 372) = ( 0.5000000 0.5000000 0.2435897), wk = 0.0025510 k( 373) = ( 0.5000000 0.5000000 0.2564103), wk = 0.0025510 k( 374) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0025510 k( 375) = ( 0.5000000 0.5000000 0.2820513), wk = 0.0025510 k( 376) = ( 0.5000000 0.5000000 0.2948718), wk = 0.0025510 k( 377) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0025510 k( 378) = ( 0.5000000 0.5000000 0.3205128), wk = 0.0025510 k( 379) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0025510 k( 380) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0025510 k( 381) = ( 0.5000000 0.5000000 0.3589744), wk = 0.0025510 k( 382) = ( 0.5000000 0.5000000 0.3717949), wk = 0.0025510 k( 383) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0025510 k( 384) = ( 0.5000000 0.5000000 0.3974359), wk = 0.0025510 k( 385) = ( 0.5000000 0.5000000 0.4102564), wk = 0.0025510 k( 386) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0025510 k( 387) = ( 0.5000000 0.5000000 0.4358974), wk = 0.0025510 k( 388) = ( 0.5000000 0.5000000 0.4487179), wk = 0.0025510 k( 389) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0025510 k( 390) = ( 0.5000000 0.5000000 0.4743590), wk = 0.0025510 k( 391) = ( 0.5000000 0.5000000 0.4871795), wk = 0.0025510 k( 392) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025510 Dense grid: 44581 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 20319 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 116, 48) NL pseudopotentials 0.10 Mb ( 58, 110) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 931) G-vector shells 0.00 Mb ( 462) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.34 Mb ( 116, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.16 Mb ( 110, 2, 48) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./SrHfO3.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 24.8 secs Computing kpt #: 2 total cpu time spent up to now is 25.6 secs Computing kpt #: 3 total cpu time spent up to now is 26.4 secs Computing kpt #: 4 total cpu time spent up to now is 27.3 secs Computing kpt #: 5 total cpu time spent up to now is 28.1 secs Computing kpt #: 6 total cpu time spent up to now is 28.9 secs Computing kpt #: 7 total cpu time spent up to now is 29.7 secs Computing kpt #: 8 total cpu time spent up to now is 30.5 secs Computing kpt #: 9 total cpu time spent up to now is 31.3 secs Computing kpt #: 10 total cpu time spent up to now is 32.2 secs Computing kpt #: 11 total cpu time spent up to now is 33.0 secs Computing kpt #: 12 total cpu time spent up to now is 33.8 secs Computing kpt #: 13 total cpu time spent up to now is 34.6 secs Computing kpt #: 14 total cpu time spent up to now is 35.5 secs Computing kpt #: 15 total cpu time spent up to now is 36.4 secs Computing kpt #: 16 total cpu time spent up to now is 37.2 secs Computing kpt #: 17 total cpu time spent up to now is 38.1 secs Computing kpt #: 18 total cpu time spent up to now is 39.0 secs Computing kpt #: 19 total cpu time spent up to now is 39.8 secs Computing kpt #: 20 total cpu time spent up to now is 40.7 secs Computing kpt #: 21 total cpu time spent up to now is 41.6 secs Computing kpt #: 22 total cpu time spent up to now is 42.5 secs Computing kpt #: 23 total cpu time spent up to now is 43.3 secs Computing kpt #: 24 total cpu time spent up to now is 44.2 secs Computing kpt #: 25 total cpu time spent up to now is 45.1 secs Computing kpt #: 26 total cpu time spent up to now is 46.1 secs Computing kpt #: 27 total cpu time spent up to now is 47.1 secs Computing kpt #: 28 total cpu time spent up to now is 48.0 secs Computing kpt #: 29 total cpu time spent up to now is 49.0 secs Computing kpt #: 30 total cpu time spent up to now is 49.9 secs Computing kpt #: 31 total cpu time spent up to now is 50.9 secs Computing kpt #: 32 total cpu time spent up to now is 51.8 secs Computing kpt #: 33 total cpu time spent up to now is 52.8 secs Computing kpt #: 34 total cpu time spent up to now is 58.4 secs Computing kpt #: 35 total cpu time spent up to now is 60.4 secs Computing kpt #: 36 total cpu time spent up to now is 61.3 secs Computing kpt #: 37 total cpu time spent up to now is 62.3 secs Computing kpt #: 38 total cpu time spent up to now is 63.2 secs Computing kpt #: 39 total cpu time spent up to now is 69.6 secs Computing kpt #: 40 total cpu time spent up to now is 70.5 secs Computing kpt #: 41 total cpu time spent up to now is 71.5 secs Computing kpt #: 42 total cpu time spent up to now is 72.4 secs Computing kpt #: 43 total cpu time spent up to now is 73.3 secs Computing kpt #: 44 total cpu time spent up to now is 74.2 secs Computing kpt #: 45 total cpu time spent up to now is 75.2 secs Computing kpt #: 46 total cpu time spent up to now is 76.1 secs Computing kpt #: 47 total cpu time spent up to now is 77.0 secs Computing kpt #: 48 total cpu time spent up to now is 77.9 secs Computing kpt #: 49 total cpu time spent up to now is 78.8 secs Computing kpt #: 50 total cpu time spent up to now is 79.7 secs Computing kpt #: 51 total cpu time spent up to now is 80.6 secs Computing kpt #: 52 total cpu time spent up to now is 81.5 secs Computing kpt #: 53 total cpu time spent up to now is 82.4 secs Computing kpt #: 54 total cpu time spent up to now is 83.2 secs Computing kpt #: 55 total cpu time spent up to now is 84.1 secs Computing kpt #: 56 total cpu time spent up to now is 85.0 secs Computing kpt #: 57 total cpu time spent up to now is 85.9 secs Computing kpt #: 58 total cpu time spent up to now is 86.8 secs Computing kpt #: 59 total cpu time spent up to now is 87.7 secs Computing kpt #: 60 total cpu time spent up to now is 88.6 secs Computing kpt #: 61 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.4 secs Computing kpt #: 62 total cpu time spent up to now is 91.4 secs Computing kpt #: 63 total cpu time spent up to now is 92.3 secs Computing kpt #: 64 total cpu time spent up to now is 95.7 secs Computing kpt #: 65 total cpu time spent up to now is 96.6 secs Computing kpt #: 66 total cpu time spent up to now is 97.5 secs Computing kpt #: 67 total cpu time spent up to now is 98.4 secs Computing kpt #: 68 total cpu time spent up to now is 99.3 secs Computing kpt #: 69 total cpu time spent up to now is 100.2 secs Computing kpt #: 70 total cpu time spent up to now is 101.0 secs Computing kpt #: 71 total cpu time spent up to now is 101.9 secs Computing kpt #: 72 total cpu time spent up to now is 102.8 secs Computing kpt #: 73 total cpu time spent up to now is 103.6 secs Computing kpt #: 74 total cpu time spent up to now is 104.5 secs Computing kpt #: 75 total cpu time spent up to now is 105.4 secs Computing kpt #: 76 total cpu time spent up to now is 106.2 secs Computing kpt #: 77 total cpu time spent up to now is 107.1 secs Computing kpt #: 78 total cpu time spent up to now is 108.0 secs Computing kpt #: 79 total cpu time spent up to now is 108.8 secs Computing kpt #: 80 total cpu time spent up to now is 109.6 secs Computing kpt #: 81 total cpu time spent up to now is 110.5 secs Computing kpt #: 82 total cpu time spent up to now is 111.3 secs Computing kpt #: 83 total cpu time spent up to now is 112.2 secs Computing kpt #: 84 total cpu time spent up to now is 113.1 secs Computing kpt #: 85 total cpu time spent up to now is 113.9 secs Computing kpt #: 86 total cpu time spent up to now is 114.8 secs Computing kpt #: 87 total cpu time spent up to now is 115.7 secs Computing kpt #: 88 total cpu time spent up to now is 116.5 secs Computing kpt #: 89 total cpu time spent up to now is 117.4 secs Computing kpt #: 90 total cpu time spent up to now is 118.3 secs Computing kpt #: 91 total cpu time spent up to now is 119.2 secs Computing kpt #: 92 total cpu time spent up to now is 120.1 secs Computing kpt #: 93 total cpu time spent up to now is 121.0 secs Computing kpt #: 94 total cpu time spent up to now is 121.9 secs Computing kpt #: 95 total cpu time spent up to now is 122.7 secs Computing kpt #: 96 total cpu time spent up to now is 123.6 secs Computing kpt #: 97 total cpu time spent up to now is 124.5 secs Computing kpt #: 98 total cpu time spent up to now is 125.4 secs Computing kpt #: 99 total cpu time spent up to now is 126.3 secs Computing kpt #: 100 total cpu time spent up to now is 127.2 secs Computing kpt #: 101 total cpu time spent up to now is 129.4 secs Computing kpt #: 102 total cpu time spent up to now is 130.3 secs Computing kpt #: 103 total cpu time spent up to now is 131.2 secs Computing kpt #: 104 total cpu time spent up to now is 132.1 secs Computing kpt #: 105 total cpu time spent up to now is 133.0 secs Computing kpt #: 106 total cpu time spent up to now is 133.9 secs Computing kpt #: 107 total cpu time spent up to now is 134.8 secs Computing kpt #: 108 total cpu time spent up to now is 135.7 secs Computing kpt #: 109 total cpu time spent up to now is 136.6 secs Computing kpt #: 110 total cpu time spent up to now is 137.5 secs Computing kpt #: 111 total cpu time spent up to now is 138.3 secs Computing kpt #: 112 total cpu time spent up to now is 139.2 secs Computing kpt #: 113 total cpu time spent up to now is 140.1 secs Computing kpt #: 114 total cpu time spent up to now is 140.9 secs Computing kpt #: 115 total cpu time spent up to now is 141.8 secs Computing kpt #: 116 total cpu time spent up to now is 142.7 secs Computing kpt #: 117 total cpu time spent up to now is 143.5 secs Computing kpt #: 118 total cpu time spent up to now is 144.4 secs Computing kpt #: 119 total cpu time spent up to now is 145.3 secs Computing kpt #: 120 total cpu time spent up to now is 146.1 secs Computing kpt #: 121 total cpu time spent up to now is 147.0 secs Computing kpt #: 122 total cpu time spent up to now is 147.8 secs Computing kpt #: 123 total cpu time spent up to now is 148.7 secs Computing kpt #: 124 total cpu time spent up to now is 149.5 secs Computing kpt #: 125 total cpu time spent up to now is 150.3 secs Computing kpt #: 126 total cpu time spent up to now is 151.1 secs Computing kpt #: 127 total cpu time spent up to now is 152.0 secs Computing kpt #: 128 total cpu time spent up to now is 152.8 secs Computing kpt #: 129 total cpu time spent up to now is 153.6 secs Computing kpt #: 130 total cpu time spent up to now is 154.4 secs Computing kpt #: 131 total cpu time spent up to now is 155.2 secs Computing kpt #: 132 total cpu time spent up to now is 156.0 secs Computing kpt #: 133 total cpu time spent up to now is 156.8 secs Computing kpt #: 134 total cpu time spent up to now is 157.6 secs Computing kpt #: 135 total cpu time spent up to now is 158.4 secs Computing kpt #: 136 total cpu time spent up to now is 159.2 secs Computing kpt #: 137 total cpu time spent up to now is 160.1 secs Computing kpt #: 138 total cpu time spent up to now is 161.0 secs Computing kpt #: 139 total cpu time spent up to now is 161.9 secs Computing kpt #: 140 total cpu time spent up to now is 162.7 secs Computing kpt #: 141 total cpu time spent up to now is 163.6 secs Computing kpt #: 142 total cpu time spent up to now is 164.5 secs Computing kpt #: 143 total cpu time spent up to now is 165.4 secs Computing kpt #: 144 total cpu time spent up to now is 166.2 secs Computing kpt #: 145 total cpu time spent up to now is 167.1 secs Computing kpt #: 146 total cpu time spent up to now is 168.0 secs Computing kpt #: 147 total cpu time spent up to now is 168.8 secs Computing kpt #: 148 total cpu time spent up to now is 169.7 secs Computing kpt #: 149 total cpu time spent up to now is 170.5 secs Computing kpt #: 150 total cpu time spent up to now is 171.3 secs Computing kpt #: 151 total cpu time spent up to now is 172.2 secs Computing kpt #: 152 total cpu time spent up to now is 173.0 secs Computing kpt #: 153 total cpu time spent up to now is 173.9 secs Computing kpt #: 154 total cpu time spent up to now is 174.8 secs Computing kpt #: 155 total cpu time spent up to now is 175.6 secs Computing kpt #: 156 total cpu time spent up to now is 176.5 secs Computing kpt #: 157 total cpu time spent up to now is 177.3 secs Computing kpt #: 158 total cpu time spent up to now is 178.2 secs Computing kpt #: 159 total cpu time spent up to now is 179.0 secs Computing kpt #: 160 total cpu time spent up to now is 179.9 secs Computing kpt #: 161 total cpu time spent up to now is 180.8 secs Computing kpt #: 162 total cpu time spent up to now is 181.7 secs Computing kpt #: 163 total cpu time spent up to now is 182.6 secs Computing kpt #: 164 total cpu time spent up to now is 183.5 secs Computing kpt #: 165 total cpu time spent up to now is 184.3 secs Computing kpt #: 166 total cpu time spent up to now is 185.2 secs Computing kpt #: 167 total cpu time spent up to now is 186.1 secs Computing kpt #: 168 total cpu time spent up to now is 186.9 secs Computing kpt #: 169 total cpu time spent up to now is 187.8 secs Computing kpt #: 170 total cpu time spent up to now is 188.7 secs Computing kpt #: 171 total cpu time spent up to now is 189.6 secs Computing kpt #: 172 total cpu time spent up to now is 190.6 secs Computing kpt #: 173 total cpu time spent up to now is 191.5 secs Computing kpt #: 174 total cpu time spent up to now is 192.5 secs Computing kpt #: 175 total cpu time spent up to now is 193.5 secs Computing kpt #: 176 total cpu time spent up to now is 194.4 secs Computing kpt #: 177 total cpu time spent up to now is 195.4 secs Computing kpt #: 178 total cpu time spent up to now is 196.4 secs Computing kpt #: 179 total cpu time spent up to now is 197.3 secs Computing kpt #: 180 total cpu time spent up to now is 202.9 secs Computing kpt #: 181 total cpu time spent up to now is 203.8 secs Computing kpt #: 182 total cpu time spent up to now is 204.8 secs Computing kpt #: 183 total cpu time spent up to now is 205.7 secs Computing kpt #: 184 total cpu time spent up to now is 206.7 secs Computing kpt #: 185 total cpu time spent up to now is 207.6 secs Computing kpt #: 186 total cpu time spent up to now is 208.4 secs Computing kpt #: 187 total cpu time spent up to now is 209.3 secs Computing kpt #: 188 total cpu time spent up to now is 210.2 secs Computing kpt #: 189 total cpu time spent up to now is 211.1 secs Computing kpt #: 190 total cpu time spent up to now is 212.0 secs Computing kpt #: 191 total cpu time spent up to now is 212.8 secs Computing kpt #: 192 total cpu time spent up to now is 213.7 secs Computing kpt #: 193 total cpu time spent up to now is 214.6 secs Computing kpt #: 194 total cpu time spent up to now is 215.5 secs Computing kpt #: 195 total cpu time spent up to now is 216.4 secs Computing kpt #: 196 total cpu time spent up to now is 217.3 secs Computing kpt #: 197 total cpu time spent up to now is 218.1 secs Computing kpt #: 198 total cpu time spent up to now is 219.0 secs Computing kpt #: 199 total cpu time spent up to now is 219.9 secs Computing kpt #: 200 total cpu time spent up to now is 220.7 secs Computing kpt #: 201 total cpu time spent up to now is 221.6 secs Computing kpt #: 202 total cpu time spent up to now is 222.4 secs Computing kpt #: 203 total cpu time spent up to now is 223.2 secs Computing kpt #: 204 total cpu time spent up to now is 224.0 secs Computing kpt #: 205 total cpu time spent up to now is 224.8 secs Computing kpt #: 206 total cpu time spent up to now is 225.7 secs Computing kpt #: 207 total cpu time spent up to now is 226.4 secs Computing kpt #: 208 total cpu time spent up to now is 227.2 secs Computing kpt #: 209 total cpu time spent up to now is 228.0 secs Computing kpt #: 210 total cpu time spent up to now is 228.8 secs Computing kpt #: 211 total cpu time spent up to now is 229.6 secs Computing kpt #: 212 total cpu time spent up to now is 230.3 secs Computing kpt #: 213 total cpu time spent up to now is 231.1 secs Computing kpt #: 214 total cpu time spent up to now is 231.9 secs Computing kpt #: 215 total cpu time spent up to now is 232.6 secs Computing kpt #: 216 total cpu time spent up to now is 234.6 secs Computing kpt #: 217 total cpu time spent up to now is 235.4 secs Computing kpt #: 218 total cpu time spent up to now is 236.1 secs Computing kpt #: 219 total cpu time spent up to now is 236.9 secs Computing kpt #: 220 total cpu time spent up to now is 237.7 secs Computing kpt #: 221 total cpu time spent up to now is 238.5 secs Computing kpt #: 222 total cpu time spent up to now is 239.3 secs Computing kpt #: 223 total cpu time spent up to now is 240.1 secs Computing kpt #: 224 total cpu time spent up to now is 240.9 secs Computing kpt #: 225 total cpu time spent up to now is 241.7 secs Computing kpt #: 226 total cpu time spent up to now is 242.5 secs Computing kpt #: 227 total cpu time spent up to now is 243.3 secs Computing kpt #: 228 total cpu time spent up to now is 244.1 secs Computing kpt #: 229 total cpu time spent up to now is 245.0 secs Computing kpt #: 230 total cpu time spent up to now is 245.8 secs Computing kpt #: 231 total cpu time spent up to now is 246.6 secs Computing kpt #: 232 total cpu time spent up to now is 247.5 secs Computing kpt #: 233 total cpu time spent up to now is 248.3 secs Computing kpt #: 234 total cpu time spent up to now is 249.1 secs Computing kpt #: 235 total cpu time spent up to now is 249.9 secs Computing kpt #: 236 total cpu time spent up to now is 250.8 secs Computing kpt #: 237 total cpu time spent up to now is 251.6 secs Computing kpt #: 238 total cpu time spent up to now is 252.5 secs Computing kpt #: 239 total cpu time spent up to now is 253.4 secs Computing kpt #: 240 total cpu time spent up to now is 254.2 secs Computing kpt #: 241 total cpu time spent up to now is 255.1 secs Computing kpt #: 242 total cpu time spent up to now is 256.0 secs Computing kpt #: 243 total cpu time spent up to now is 256.8 secs Computing kpt #: 244 total cpu time spent up to now is 257.7 secs Computing kpt #: 245 total cpu time spent up to now is 258.5 secs Computing kpt #: 246 total cpu time spent up to now is 259.3 secs Computing kpt #: 247 total cpu time spent up to now is 260.2 secs Computing kpt #: 248 total cpu time spent up to now is 261.0 secs Computing kpt #: 249 total cpu time spent up to now is 261.8 secs Computing kpt #: 250 total cpu time spent up to now is 262.7 secs Computing kpt #: 251 total cpu time spent up to now is 263.5 secs Computing kpt #: 252 total cpu time spent up to now is 264.3 secs Computing kpt #: 253 total cpu time spent up to now is 265.0 secs Computing kpt #: 254 total cpu time spent up to now is 265.8 secs Computing kpt #: 255 total cpu time spent up to now is 266.6 secs Computing kpt #: 256 total cpu time spent up to now is 267.4 secs Computing kpt #: 257 total cpu time spent up to now is 268.1 secs Computing kpt #: 258 total cpu time spent up to now is 268.8 secs Computing kpt #: 259 total cpu time spent up to now is 269.6 secs Computing kpt #: 260 total cpu time spent up to now is 270.4 secs Computing kpt #: 261 total cpu time spent up to now is 271.2 secs Computing kpt #: 262 total cpu time spent up to now is 272.1 secs Computing kpt #: 263 total cpu time spent up to now is 272.9 secs Computing kpt #: 264 total cpu time spent up to now is 273.7 secs Computing kpt #: 265 total cpu time spent up to now is 274.6 secs Computing kpt #: 266 total cpu time spent up to now is 275.5 secs Computing kpt #: 267 total cpu time spent up to now is 276.3 secs Computing kpt #: 268 total cpu time spent up to now is 277.2 secs Computing kpt #: 269 total cpu time spent up to now is 278.1 secs Computing kpt #: 270 total cpu time spent up to now is 279.0 secs Computing kpt #: 271 total cpu time spent up to now is 279.9 secs Computing kpt #: 272 total cpu time spent up to now is 280.8 secs Computing kpt #: 273 total cpu time spent up to now is 281.7 secs Computing kpt #: 274 total cpu time spent up to now is 282.5 secs Computing kpt #: 275 total cpu time spent up to now is 283.5 secs Computing kpt #: 276 total cpu time spent up to now is 284.4 secs Computing kpt #: 277 total cpu time spent up to now is 285.3 secs Computing kpt #: 278 total cpu time spent up to now is 286.3 secs Computing kpt #: 279 total cpu time spent up to now is 287.2 secs Computing kpt #: 280 total cpu time spent up to now is 288.1 secs Computing kpt #: 281 total cpu time spent up to now is 289.0 secs Computing kpt #: 282 total cpu time spent up to now is 289.9 secs Computing kpt #: 283 total cpu time spent up to now is 290.8 secs Computing kpt #: 284 total cpu time spent up to now is 291.7 secs Computing kpt #: 285 total cpu time spent up to now is 292.6 secs Computing kpt #: 286 total cpu time spent up to now is 293.5 secs Computing kpt #: 287 total cpu time spent up to now is 294.4 secs Computing kpt #: 288 total cpu time spent up to now is 295.3 secs Computing kpt #: 289 total cpu time spent up to now is 296.2 secs Computing kpt #: 290 total cpu time spent up to now is 297.1 secs Computing kpt #: 291 total cpu time spent up to now is 298.0 secs Computing kpt #: 292 total cpu time spent up to now is 298.9 secs Computing kpt #: 293 total cpu time spent up to now is 299.9 secs Computing kpt #: 294 total cpu time spent up to now is 300.8 secs Computing kpt #: 295 total cpu time spent up to now is 301.7 secs Computing kpt #: 296 total cpu time spent up to now is 302.7 secs Computing kpt #: 297 total cpu time spent up to now is 303.7 secs Computing kpt #: 298 total cpu time spent up to now is 304.7 secs Computing kpt #: 299 total cpu time spent up to now is 305.6 secs Computing kpt #: 300 total cpu time spent up to now is 306.5 secs Computing kpt #: 301 total cpu time spent up to now is 307.5 secs Computing kpt #: 302 total cpu time spent up to now is 308.4 secs Computing kpt #: 303 total cpu time spent up to now is 309.3 secs Computing kpt #: 304 total cpu time spent up to now is 310.3 secs Computing kpt #: 305 total cpu time spent up to now is 311.3 secs Computing kpt #: 306 total cpu time spent up to now is 312.3 secs Computing kpt #: 307 total cpu time spent up to now is 313.3 secs Computing kpt #: 308 total cpu time spent up to now is 314.2 secs Computing kpt #: 309 total cpu time spent up to now is 315.2 secs Computing kpt #: 310 total cpu time spent up to now is 316.1 secs Computing kpt #: 311 total cpu time spent up to now is 317.1 secs Computing kpt #: 312 total cpu time spent up to now is 318.1 secs Computing kpt #: 313 total cpu time spent up to now is 319.0 secs Computing kpt #: 314 total cpu time spent up to now is 319.9 secs Computing kpt #: 315 total cpu time spent up to now is 320.8 secs Computing kpt #: 316 total cpu time spent up to now is 321.8 secs Computing kpt #: 317 total cpu time spent up to now is 322.8 secs Computing kpt #: 318 total cpu time spent up to now is 323.7 secs Computing kpt #: 319 total cpu time spent up to now is 324.6 secs Computing kpt #: 320 total cpu time spent up to now is 325.6 secs Computing kpt #: 321 total cpu time spent up to now is 326.5 secs Computing kpt #: 322 total cpu time spent up to now is 327.4 secs Computing kpt #: 323 total cpu time spent up to now is 328.3 secs Computing kpt #: 324 total cpu time spent up to now is 329.3 secs Computing kpt #: 325 total cpu time spent up to now is 330.2 secs Computing kpt #: 326 total cpu time spent up to now is 331.2 secs Computing kpt #: 327 total cpu time spent up to now is 332.1 secs Computing kpt #: 328 total cpu time spent up to now is 333.1 secs Computing kpt #: 329 total cpu time spent up to now is 334.1 secs Computing kpt #: 330 total cpu time spent up to now is 335.0 secs Computing kpt #: 331 total cpu time spent up to now is 336.0 secs Computing kpt #: 332 total cpu time spent up to now is 336.9 secs Computing kpt #: 333 total cpu time spent up to now is 337.8 secs Computing kpt #: 334 total cpu time spent up to now is 344.8 secs Computing kpt #: 335 total cpu time spent up to now is 345.8 secs Computing kpt #: 336 total cpu time spent up to now is 346.7 secs Computing kpt #: 337 total cpu time spent up to now is 347.6 secs Computing kpt #: 338 total cpu time spent up to now is 348.4 secs Computing kpt #: 339 total cpu time spent up to now is 349.3 secs Computing kpt #: 340 total cpu time spent up to now is 350.2 secs Computing kpt #: 341 total cpu time spent up to now is 351.1 secs Computing kpt #: 342 total cpu time spent up to now is 351.9 secs Computing kpt #: 343 total cpu time spent up to now is 352.7 secs Computing kpt #: 344 total cpu time spent up to now is 353.5 secs Computing kpt #: 345 total cpu time spent up to now is 354.3 secs Computing kpt #: 346 total cpu time spent up to now is 355.1 secs Computing kpt #: 347 total cpu time spent up to now is 355.9 secs Computing kpt #: 348 total cpu time spent up to now is 356.6 secs Computing kpt #: 349 total cpu time spent up to now is 357.4 secs Computing kpt #: 350 total cpu time spent up to now is 358.2 secs Computing kpt #: 351 total cpu time spent up to now is 359.0 secs Computing kpt #: 352 total cpu time spent up to now is 359.8 secs Computing kpt #: 353 total cpu time spent up to now is 360.6 secs Computing kpt #: 354 total cpu time spent up to now is 361.5 secs Computing kpt #: 355 total cpu time spent up to now is 362.4 secs Computing kpt #: 356 total cpu time spent up to now is 363.2 secs Computing kpt #: 357 total cpu time spent up to now is 364.0 secs Computing kpt #: 358 total cpu time spent up to now is 364.9 secs Computing kpt #: 359 total cpu time spent up to now is 365.8 secs Computing kpt #: 360 total cpu time spent up to now is 366.6 secs Computing kpt #: 361 total cpu time spent up to now is 367.5 secs Computing kpt #: 362 total cpu time spent up to now is 368.3 secs Computing kpt #: 363 total cpu time spent up to now is 369.2 secs Computing kpt #: 364 total cpu time spent up to now is 370.1 secs Computing kpt #: 365 total cpu time spent up to now is 371.0 secs Computing kpt #: 366 total cpu time spent up to now is 371.9 secs Computing kpt #: 367 total cpu time spent up to now is 372.9 secs Computing kpt #: 368 total cpu time spent up to now is 380.6 secs Computing kpt #: 369 total cpu time spent up to now is 381.4 secs Computing kpt #: 370 total cpu time spent up to now is 382.3 secs Computing kpt #: 371 total cpu time spent up to now is 383.2 secs Computing kpt #: 372 total cpu time spent up to now is 384.1 secs Computing kpt #: 373 total cpu time spent up to now is 385.0 secs Computing kpt #: 374 total cpu time spent up to now is 385.9 secs Computing kpt #: 375 total cpu time spent up to now is 386.8 secs Computing kpt #: 376 total cpu time spent up to now is 387.7 secs Computing kpt #: 377 total cpu time spent up to now is 388.7 secs Computing kpt #: 378 total cpu time spent up to now is 389.6 secs Computing kpt #: 379 total cpu time spent up to now is 390.6 secs Computing kpt #: 380 total cpu time spent up to now is 391.5 secs Computing kpt #: 381 total cpu time spent up to now is 392.4 secs Computing kpt #: 382 total cpu time spent up to now is 393.3 secs Computing kpt #: 383 total cpu time spent up to now is 394.2 secs Computing kpt #: 384 total cpu time spent up to now is 395.0 secs Computing kpt #: 385 total cpu time spent up to now is 395.9 secs Computing kpt #: 386 total cpu time spent up to now is 396.9 secs Computing kpt #: 387 total cpu time spent up to now is 397.8 secs Computing kpt #: 388 total cpu time spent up to now is 398.6 secs Computing kpt #: 389 total cpu time spent up to now is 399.4 secs Computing kpt #: 390 total cpu time spent up to now is 400.2 secs Computing kpt #: 391 total cpu time spent up to now is 401.1 secs Computing kpt #: 392 total cpu time spent up to now is 401.9 secs ethr = 2.50E-11, avg # of iterations = 38.5 total cpu time spent up to now is 401.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2541 PWs) bands (ev): -49.5124 -49.5124 -23.9580 -23.9580 -23.2596 -23.2596 -16.4184 -16.4184 -16.4037 -16.4037 -7.3506 -7.3506 -6.6566 -6.6566 -6.5544 -6.5544 -5.9670 -5.9670 -4.8735 -4.8735 -4.8293 -4.8293 7.2744 7.2744 7.8855 7.8855 7.9684 7.9684 8.5344 8.5344 8.6226 8.6226 8.6434 8.6434 9.1655 9.1655 9.4328 9.4328 9.4868 9.4868 13.6901 13.6901 13.8762 13.8762 14.0965 14.0965 14.6650 14.6650 k = 0.0000 0.0128-0.0000 ( 2537 PWs) bands (ev): -49.5124 -49.5124 -23.9582 -23.9579 -23.2597 -23.2595 -16.4187 -16.4187 -16.4041 -16.4033 -7.3519 -7.3485 -6.6563 -6.6563 -6.5583 -6.5505 -5.9673 -5.9654 -4.8732 -4.8731 -4.8312 -4.8270 7.2715 7.2757 7.8801 7.8886 7.9667 7.9673 8.5323 8.5335 8.6209 8.6217 8.6419 8.6424 9.1556 9.1712 9.4269 9.4302 9.4788 9.4956 13.6887 13.6979 13.8767 13.8804 14.0910 14.1056 14.6684 14.6691 k = 0.0000 0.0256-0.0000 ( 2537 PWs) bands (ev): -49.5124 -49.5124 -23.9584 -23.9579 -23.2597 -23.2593 -16.4195 -16.4194 -16.4047 -16.4031 -7.3524 -7.3456 -6.6555 -6.6552 -6.5621 -6.5468 -5.9663 -5.9626 -4.8722 -4.8719 -4.8328 -4.8242 7.2671 7.2754 7.8723 7.8897 7.9626 7.9633 8.5270 8.5294 8.6165 8.6181 8.6379 8.6389 9.1412 9.1726 9.4101 9.4221 9.4741 9.5024 13.6936 13.7124 13.8817 13.8894 14.0893 14.1184 14.6793 14.6806 k = 0.0000 0.0385-0.0000 ( 2537 PWs) bands (ev): -49.5124 -49.5124 -23.9588 -23.9579 -23.2596 -23.2591 -16.4211 -16.4207 -16.4052 -16.4030 -7.3524 -7.3420 -6.6542 -6.6533 -6.5656 -6.5431 -5.9640 -5.9586 -4.8707 -4.8698 -4.8340 -4.8207 7.2610 7.2735 7.8615 7.8891 7.9563 7.9563 8.5186 8.5223 8.6094 8.6118 8.6316 8.6332 9.1223 9.1695 9.3842 9.4102 9.4715 9.5059 13.7041 13.7331 13.8916 13.9034 14.0914 14.1352 14.6974 14.6995 k = 0.0000 0.0513-0.0000 ( 2537 PWs) bands (ev): -49.5123 -49.5123 -23.9592 -23.9581 -23.2595 -23.2588 -16.4234 -16.4225 -16.4056 -16.4030 -7.3518 -7.3378 -6.6526 -6.6503 -6.5688 -6.5396 -5.9605 -5.9536 -4.8689 -4.8668 -4.8350 -4.8166 7.2532 7.2700 7.8475 7.8867 7.9464 7.9485 8.5071 8.5123 8.5994 8.6025 8.6233 8.6254 9.0983 9.1609 9.3525 9.3955 9.4692 9.5063 13.7196 13.7597 13.9063 13.9227 14.0977 14.1563 14.7226 14.7254 k = 0.0000 0.0641-0.0000 ( 2541 PWs) bands (ev): -49.5123 -49.5123 -23.9597 -23.9584 -23.2593 -23.2585 -16.4264 -16.4249 -16.4058 -16.4032 -7.3509 -7.3332 -6.6504 -6.6461 -6.5714 -6.5361 -5.9558 -5.9476 -4.8669 -4.8627 -4.8358 -4.8116 7.2435 7.2647 7.8298 7.8826 7.9339 7.9395 8.4925 8.4993 8.5864 8.5901 8.6132 8.6158 9.0690 9.1451 9.3184 9.3784 9.4662 9.5040 13.7390 13.7909 13.9266 13.9478 14.1086 14.1818 14.7545 14.7580 k = 0.0000 0.0769-0.0000 ( 2545 PWs) bands (ev): -49.5123 -49.5123 -23.9604 -23.9587 -23.2591 -23.2581 -16.4302 -16.4279 -16.4060 -16.4033 -7.3500 -7.3285 -6.6476 -6.6404 -6.5732 -6.5325 -5.9500 -5.9408 -4.8648 -4.8577 -4.8364 -4.8058 7.2318 7.2573 7.8084 7.8764 7.9192 7.9298 8.4748 8.4834 8.5704 8.5746 8.6016 8.6047 9.0341 9.1194 9.2857 9.3598 9.4624 9.4994 13.7614 13.8251 13.9530 13.9791 14.1248 14.2122 14.7929 14.7972 k = 0.0000 0.0897-0.0000 ( 2547 PWs) bands (ev): -49.5123 -49.5123 -23.9610 -23.9592 -23.2589 -23.2577 -16.4346 -16.4315 -16.4060 -16.4034 -7.3493 -7.3238 -6.6440 -6.6333 -6.5741 -6.5286 -5.9433 -5.9334 -4.8626 -4.8518 -4.8368 -4.7991 7.2179 7.2477 7.7833 7.8677 7.9033 7.9195 8.4541 8.4648 8.5515 8.5561 8.5886 8.5922 8.9934 9.0815 9.2577 9.3401 9.4578 9.4933 13.7855 13.8601 13.9867 14.0171 14.1472 14.2479 14.8372 14.8424 k = 0.0000 0.1026-0.0000 ( 2547 PWs) bands (ev): -49.5123 -49.5123 -23.9617 -23.9596 -23.2585 -23.2573 -16.4396 -16.4357 -16.4060 -16.4035 -7.3489 -7.3195 -6.6394 -6.6246 -6.5740 -6.5242 -5.9356 -5.9254 -4.8606 -4.8450 -4.8368 -4.7914 7.2016 7.2356 7.7548 7.8550 7.8878 7.9089 8.4305 8.4435 8.5299 8.5349 8.5743 8.5783 8.9469 9.0312 9.2355 9.3201 9.4524 9.4859 13.8107 13.8936 14.0287 14.0617 14.1767 14.2891 14.8871 14.8932 k = 0.0000 0.1154-0.0000 ( 2545 PWs) bands (ev): -49.5122 -49.5122 -23.9625 -23.9602 -23.2582 -23.2568 -16.4452 -16.4405 -16.4058 -16.4035 -7.3493 -7.3160 -6.6335 -6.6146 -6.5727 -6.5188 -5.9272 -5.9171 -4.8586 -4.8392 -4.8347 -4.7829 7.1825 7.2204 7.7234 7.8374 7.8741 7.8978 8.4040 8.4196 8.5057 8.5112 8.5589 8.5631 8.8949 8.9707 9.2181 9.3002 9.4466 9.4779 13.8362 13.9241 14.0788 14.1128 14.2143 14.3360 14.9421 14.9493 k = 0.0000 0.1282-0.0000 ( 2535 PWs) bands (ev): -49.5122 -49.5122 -23.9632 -23.9606 -23.2578 -23.2562 -16.4512 -16.4457 -16.4055 -16.4033 -7.3504 -7.3136 -6.6263 -6.6035 -6.5700 -6.5118 -5.9181 -5.9086 -4.8568 -4.8381 -4.8269 -4.7735 7.1603 7.2015 7.6899 7.8155 7.8620 7.8864 8.3748 8.3933 8.4793 8.4852 8.5423 8.5468 8.8381 8.9030 9.2036 9.2808 9.4404 9.4694 13.8618 13.9516 14.1356 14.1700 14.2610 14.3890 15.0020 15.0102 k = 0.0000 0.1410-0.0000 ( 2531 PWs) bands (ev): -49.5121 -49.5121 -23.9640 -23.9613 -23.2573 -23.2556 -16.4576 -16.4514 -16.4052 -16.4032 -7.3526 -7.3124 -6.6179 -6.5920 -6.5655 -6.5026 -5.9084 -5.9000 -4.8551 -4.8379 -4.8172 -4.7634 7.1345 7.1782 7.6552 7.7907 7.8505 7.8746 8.3431 8.3647 8.4509 8.4572 8.5248 8.5293 8.7771 8.8304 9.1910 9.2622 9.4339 9.4608 13.8872 13.9768 14.1969 14.2324 14.3172 14.4480 15.0662 15.0756 k = 0.0000 0.1538-0.0000 ( 2525 PWs) bands (ev): -49.5121 -49.5121 -23.9648 -23.9620 -23.2568 -23.2550 -16.4644 -16.4576 -16.4049 -16.4030 -7.3558 -7.3128 -6.6087 -6.5811 -6.5586 -6.4901 -5.8982 -5.8913 -4.8534 -4.8376 -4.8066 -4.7525 7.1048 7.1497 7.6202 7.7643 7.8389 7.8624 8.3089 8.3339 8.4209 8.4275 8.5064 8.5109 8.7130 8.7548 9.1795 9.2445 9.4273 9.4522 13.9127 14.0004 14.2614 14.2994 14.3831 14.5131 15.1343 15.1449 k = 0.0000 0.1667-0.0000 ( 2531 PWs) bands (ev): -49.5121 -49.5121 -23.9659 -23.9629 -23.2563 -23.2544 -16.4717 -16.4644 -16.4046 -16.4029 -7.3602 -7.3148 -6.5996 -6.5713 -6.5484 -6.4736 -5.8875 -5.8827 -4.8519 -4.8373 -4.7952 -4.7411 7.0707 7.1151 7.5862 7.7371 7.8270 7.8498 8.2725 8.3012 8.3895 8.3965 8.4873 8.4915 8.6468 8.6778 9.1688 9.2277 9.4208 9.4437 13.9381 14.0230 14.3281 14.3700 14.4578 14.5842 15.2061 15.2178 k = 0.0000 0.1795-0.0000 ( 2535 PWs) bands (ev): -49.5120 -49.5120 -23.9669 -23.9638 -23.2557 -23.2538 -16.4793 -16.4714 -16.4043 -16.4027 -7.3657 -7.3186 -6.5915 -6.5632 -6.5341 -6.4529 -5.8765 -5.8743 -4.8504 -4.8370 -4.7831 -4.7292 7.0317 7.0735 7.5540 7.7097 7.8145 7.8368 8.2340 8.2667 8.3571 8.3642 8.4675 8.4713 8.5795 8.6010 9.1587 9.2119 9.4143 9.4354 13.9635 14.0452 14.3968 14.4437 14.5403 14.6610 15.2812 15.2939 k = 0.0000 0.1923-0.0000 ( 2545 PWs) bands (ev): -49.5120 -49.5120 -23.9681 -23.9648 -23.2551 -23.2531 -16.4871 -16.4788 -16.4040 -16.4025 -7.3723 -7.3240 -6.5846 -6.5566 -6.5154 -6.4282 -5.8660 -5.8650 -4.8489 -4.8365 -4.7703 -4.7170 6.9874 7.0246 7.5245 7.6827 7.8016 7.8234 8.1936 8.2305 8.3240 8.3311 8.4471 8.4499 8.5124 8.5261 9.1491 9.1971 9.4080 9.4275 13.9891 14.0672 14.4677 14.5196 14.6289 14.7432 15.3592 15.3728 k = 0.0000 0.2051-0.0000 ( 2547 PWs) bands (ev): -49.5120 -49.5120 -23.9691 -23.9658 -23.2545 -23.2524 -16.4950 -16.4864 -16.4036 -16.4023 -7.3799 -7.3310 -6.5788 -6.5512 -6.4930 -6.4000 -5.8579 -5.8532 -4.8474 -4.8359 -4.7571 -4.7044 6.9376 6.9684 7.4981 7.6565 7.7882 7.8097 8.1516 8.1928 8.2903 8.2972 8.4249 8.4253 8.4472 8.4571 9.1400 9.1832 9.4019 9.4199 14.0149 14.0893 14.5408 14.5973 14.7226 14.8303 15.4399 15.4541 k = 0.0000 0.2179-0.0000 ( 2545 PWs) bands (ev): -49.5119 -49.5119 -23.9701 -23.9667 -23.2538 -23.2518 -16.5031 -16.4942 -16.4032 -16.4020 -7.3884 -7.3394 -6.5736 -6.5467 -6.4675 -6.3690 -5.8499 -5.8411 -4.8460 -4.8352 -4.7434 -4.6916 6.8821 6.9051 7.4750 7.6317 7.7743 7.7958 8.1081 8.1537 8.2565 8.2625 8.3759 8.3797 8.4075 8.4153 9.1312 9.1701 9.3960 9.4126 14.0410 14.1117 14.6160 14.6763 14.8202 14.9216 15.5230 15.5376 k = 0.0000 0.2308-0.0000 ( 2545 PWs) bands (ev): -49.5119 -49.5119 -23.9712 -23.9677 -23.2532 -23.2511 -16.5111 -16.5020 -16.4028 -16.4016 -7.3976 -7.3491 -6.5688 -6.5427 -6.4395 -6.3359 -5.8421 -5.8286 -4.8445 -4.8344 -4.7293 -4.6788 6.8211 6.8355 7.4551 7.6083 7.7600 7.7816 8.0635 8.1133 8.2225 8.2269 8.3138 8.3187 8.3858 8.3914 9.1229 9.1579 9.3905 9.4058 14.0673 14.1344 14.6931 14.7563 14.9209 15.0166 15.6081 15.6229 k = 0.0000 0.2436-0.0000 ( 2549 PWs) bands (ev): -49.5118 -49.5118 -23.9723 -23.9688 -23.2525 -23.2504 -16.5193 -16.5101 -16.4024 -16.4013 -7.4074 -7.3598 -6.5642 -6.5392 -6.4096 -6.3012 -5.8343 -5.8157 -4.8430 -4.8335 -4.7151 -4.6659 6.7548 6.7606 7.4380 7.5867 7.7454 7.7672 8.0183 8.0719 8.1883 8.1895 8.2559 8.2606 8.3647 8.3694 9.1149 9.1464 9.3852 9.3993 14.0938 14.1575 14.7716 14.8370 15.0239 15.1145 15.6950 15.7097 k = 0.0000 0.2564-0.0000 ( 2557 PWs) bands (ev): -49.5118 -49.5118 -23.9734 -23.9699 -23.2518 -23.2497 -16.5274 -16.5181 -16.4021 -16.4011 -7.4177 -7.3714 -6.5598 -6.5360 -6.3784 -6.2656 -5.8265 -5.8025 -4.8415 -4.8325 -4.7007 -4.6531 6.6814 6.6838 7.4233 7.5669 7.7304 7.7527 7.9731 8.0297 8.1492 8.1537 8.2054 8.2069 8.3439 8.3480 9.1073 9.1357 9.3802 9.3933 14.1205 14.1808 14.8514 14.9181 15.1284 15.2146 15.7834 15.7977 k = 0.0000 0.2692-0.0000 ( 2553 PWs) bands (ev): -49.5117 -49.5117 -23.9744 -23.9709 -23.2511 -23.2491 -16.5353 -16.5261 -16.4017 -16.4007 -7.4283 -7.3835 -6.5556 -6.5331 -6.3464 -6.2296 -5.8184 -5.7889 -4.8400 -4.8314 -4.6863 -4.6405 6.5991 6.6089 7.4109 7.5489 7.7152 7.7382 7.9283 7.9870 8.1054 8.1176 8.1590 8.1629 8.3233 8.3269 9.1001 9.1256 9.3756 9.3876 14.1474 14.2044 14.9319 14.9991 15.2339 15.3162 15.8728 15.8863 k = 0.0000 0.2821-0.0000 ( 2553 PWs) bands (ev): -49.5117 -49.5117 -23.9754 -23.9720 -23.2505 -23.2484 -16.5431 -16.5340 -16.4012 -16.4004 -7.4390 -7.3960 -6.5514 -6.5302 -6.3141 -6.1938 -5.8101 -5.7749 -4.8383 -4.8302 -4.6719 -4.6281 6.5148 6.5309 7.4003 7.5328 7.6998 7.7237 7.8848 7.9441 8.0602 8.0788 8.1182 8.1267 8.3031 8.3063 9.0933 9.1162 9.3712 9.3823 14.1743 14.2282 15.0128 15.0799 15.3397 15.4185 15.9629 15.9751 k = 0.0000 0.2949-0.0000 ( 2549 PWs) bands (ev): -49.5116 -49.5116 -23.9763 -23.9730 -23.2498 -23.2478 -16.5507 -16.5417 -16.4008 -16.4000 -7.4497 -7.4088 -6.5474 -6.5276 -6.2819 -6.1588 -5.8011 -5.7605 -4.8366 -4.8289 -4.6577 -4.6160 6.4295 6.4508 7.3914 7.5184 7.6841 7.7092 7.8430 7.9017 8.0155 8.0382 8.0839 8.0945 8.2834 8.2862 9.0869 9.1074 9.3672 9.3774 14.2012 14.2520 15.0937 15.1601 15.4450 15.5208 16.0531 16.0634 k = 0.0000 0.3077-0.0000 ( 2545 PWs) bands (ev): -49.5116 -49.5116 -23.9772 -23.9740 -23.2491 -23.2471 -16.5580 -16.5492 -16.4004 -16.3997 -7.4603 -7.4216 -6.5435 -6.5250 -6.2502 -6.1253 -5.7914 -5.7456 -4.8349 -4.8275 -4.6438 -4.6044 6.3443 6.3696 7.3840 7.5057 7.6681 7.6950 7.8036 7.8601 7.9726 7.9977 8.0538 8.0650 8.2643 8.2667 9.0808 9.0993 9.3634 9.3728 14.2280 14.2757 15.1741 15.2392 15.5493 15.6222 16.1425 16.1500 k = 0.0000 0.3205-0.0000 ( 2543 PWs) bands (ev): -49.5115 -49.5115 -23.9781 -23.9750 -23.2484 -23.2465 -16.5650 -16.5566 -16.4000 -16.3994 -7.4707 -7.4343 -6.5397 -6.5226 -6.2195 -6.0939 -5.7805 -5.7304 -4.8331 -4.8261 -4.6302 -4.5932 6.2601 6.2883 7.3780 7.4945 7.6518 7.6810 7.7670 7.8198 7.9317 7.9587 8.0265 8.0377 8.2458 8.2480 9.0752 9.0917 9.3600 9.3685 14.2545 14.2992 15.2536 15.3169 15.6518 15.7220 16.2295 16.2329 k = 0.0000 0.3333-0.0000 ( 2551 PWs) bands (ev): -49.5115 -49.5115 -23.9791 -23.9761 -23.2478 -23.2460 -16.5718 -16.5637 -16.3997 -16.3991 -7.4807 -7.4467 -6.5361 -6.5204 -6.1901 -6.0653 -5.7683 -5.7149 -4.8312 -4.8245 -4.6171 -4.5825 6.1780 6.2080 7.3733 7.4848 7.6351 7.6673 7.7337 7.7813 7.8931 7.9215 8.0015 8.0123 8.2281 8.2300 9.0699 9.0846 9.3568 9.3646 14.2805 14.3223 15.3317 15.3928 15.7516 15.8194 16.3095 16.3113 k = 0.0000 0.3462-0.0000 ( 2547 PWs) bands (ev): -49.5115 -49.5115 -23.9798 -23.9770 -23.2472 -23.2455 -16.5782 -16.5705 -16.3993 -16.3988 -7.4902 -7.4587 -6.5326 -6.5182 -6.1623 -6.0399 -5.7546 -5.6993 -4.8293 -4.8230 -4.6045 -4.5725 6.0986 6.1294 7.3698 7.4764 7.6180 7.6541 7.7040 7.7447 7.8567 7.8864 7.9785 7.9888 8.2113 8.2129 9.0651 9.0781 9.3540 9.3610 14.3059 14.3448 15.4078 15.4663 15.8481 15.9133 16.3783 16.3841 k = 0.0000 0.3590-0.0000 ( 2549 PWs) bands (ev): -49.5114 -49.5114 -23.9806 -23.9779 -23.2466 -23.2450 -16.5841 -16.5769 -16.3990 -16.3985 -7.4992 -7.4703 -6.5293 -6.5162 -6.1362 -6.0181 -5.7393 -5.6836 -4.8273 -4.8214 -4.5925 -4.5632 6.0228 6.0537 7.3675 7.4692 7.6005 7.6414 7.6781 7.7105 7.8226 7.8532 7.9576 7.9672 8.1955 8.1969 9.0606 9.0722 9.3514 9.3578 14.3306 14.3665 15.4815 15.5370 15.9403 16.0029 16.4401 16.4473 k = 0.0000 0.3718-0.0000 ( 2545 PWs) bands (ev): -49.5114 -49.5114 -23.9812 -23.9787 -23.2460 -23.2445 -16.5897 -16.5829 -16.3987 -16.3982 -7.5076 -7.4812 -6.5262 -6.5144 -6.1119 -6.0001 -5.7227 -5.6682 -4.8253 -4.8197 -4.5812 -4.5545 5.9514 5.9815 7.3663 7.4630 7.5828 7.6293 7.6559 7.6787 7.7909 7.8221 7.9386 7.9475 8.1807 8.1819 9.0565 9.0668 9.3491 9.3548 14.3543 14.3873 15.5522 15.6042 16.0274 16.0871 16.4961 16.5034 k = 0.0000 0.3846-0.0000 ( 2545 PWs) bands (ev): -49.5114 -49.5114 -23.9819 -23.9796 -23.2455 -23.2441 -16.5947 -16.5885 -16.3984 -16.3980 -7.5153 -7.4915 -6.5232 -6.5127 -6.0897 -5.9858 -5.7050 -5.6533 -4.8233 -4.8181 -4.5707 -4.5467 5.8849 5.9137 7.3662 7.4576 7.5655 7.6179 7.6372 7.6496 7.7616 7.7931 7.9215 7.9296 8.1671 8.1680 9.0529 9.0618 9.3470 9.3521 14.3768 14.4067 15.6192 15.6675 16.1085 16.1650 16.5472 16.5542 k = 0.0000 0.3974-0.0000 ( 2545 PWs) bands (ev): -49.5113 -49.5113 -23.9824 -23.9804 -23.2450 -23.2437 -16.5993 -16.5937 -16.3981 -16.3978 -7.5222 -7.5010 -6.5205 -6.5113 -6.0694 -5.9749 -5.6869 -5.6391 -4.8213 -4.8166 -4.5609 -4.5396 5.8240 5.8509 7.3672 7.4527 7.5492 7.6069 7.6215 7.6235 7.7350 7.7661 7.9063 7.9137 8.1547 8.1554 9.0497 9.0574 9.3453 9.3497 14.3979 14.4248 15.6820 15.7261 16.1827 16.2355 16.5937 16.6000 k = 0.0000 0.4103-0.0000 ( 2545 PWs) bands (ev): -49.5113 -49.5113 -23.9829 -23.9811 -23.2445 -23.2434 -16.6034 -16.5984 -16.3979 -16.3976 -7.5283 -7.5097 -6.5180 -6.5100 -6.0511 -5.9670 -5.6689 -5.6260 -4.8193 -4.8151 -4.5520 -4.5335 5.7693 5.7937 7.3691 7.4481 7.5347 7.5944 7.6028 7.6083 7.7111 7.7413 7.8930 7.8996 8.1435 8.1441 9.0469 9.0535 9.3437 9.3476 14.4174 14.4412 15.7399 15.7794 16.2494 16.2978 16.6353 16.6410 k = 0.0000 0.4231-0.0000 ( 2543 PWs) bands (ev): -49.5113 -49.5113 -23.9833 -23.9817 -23.2441 -23.2432 -16.6068 -16.6025 -16.3976 -16.3974 -7.5334 -7.5175 -6.5158 -6.5089 -6.0347 -5.9618 -5.6517 -5.6143 -4.8175 -4.8138 -4.5441 -4.5282 5.7211 5.7428 7.3721 7.4433 7.5226 7.5760 7.5916 7.5972 7.6901 7.7187 7.8817 7.8873 8.1337 8.1342 9.0445 9.0500 9.3424 9.3457 14.4351 14.4556 15.7922 15.8269 16.3078 16.3512 16.6721 16.6770 k = 0.0000 0.4359-0.0000 ( 2542 PWs) bands (ev): -49.5113 -49.5113 -23.9836 -23.9822 -23.2437 -23.2429 -16.6098 -16.6061 -16.3975 -16.3972 -7.5377 -7.5244 -6.5137 -6.5081 -6.0201 -5.9589 -5.6357 -5.6043 -4.8158 -4.8126 -4.5371 -4.5239 5.6800 5.6986 7.3759 7.4380 7.5133 7.5582 7.5839 7.5881 7.6724 7.6985 7.8722 7.8769 8.1253 8.1257 9.0425 9.0471 9.3414 9.3441 14.4508 14.4680 15.8384 15.8678 16.3576 16.3952 16.7037 16.7079 k = 0.0000 0.4487-0.0000 ( 2542 PWs) bands (ev): -49.5112 -49.5112 -23.9838 -23.9827 -23.2434 -23.2428 -16.6121 -16.6092 -16.3973 -16.3971 -7.5410 -7.5304 -6.5120 -6.5075 -6.0072 -5.9580 -5.6215 -5.5962 -4.8142 -4.8117 -4.5311 -4.5205 5.6463 5.6614 7.3805 7.4322 7.5069 7.5427 7.5778 7.5807 7.6581 7.6808 7.8645 7.8683 8.1184 8.1187 9.0410 9.0446 9.3406 9.3428 14.4642 14.4781 15.8777 15.9016 16.3987 16.4297 16.7300 16.7334 k = 0.0000 0.4615-0.0000 ( 2548 PWs) bands (ev): -49.5112 -49.5112 -23.9840 -23.9832 -23.2432 -23.2427 -16.6139 -16.6117 -16.3972 -16.3970 -7.5433 -7.5353 -6.5105 -6.5071 -5.9959 -5.9589 -5.6094 -5.5904 -4.8129 -4.8110 -4.5261 -4.5182 5.6202 5.6317 7.3859 7.4257 7.5032 7.5299 7.5731 7.5750 7.6475 7.6658 7.8587 7.8616 8.1130 8.1132 9.0399 9.0425 9.3400 9.3417 14.4752 14.4857 15.9096 15.9278 16.4312 16.4551 16.7508 16.7534 k = 0.0000 0.4744-0.0000 ( 2548 PWs) bands (ev): -49.5112 -49.5112 -23.9841 -23.9836 -23.2429 -23.2426 -16.6151 -16.6136 -16.3971 -16.3970 -7.5445 -7.5392 -6.5093 -6.5070 -5.9861 -5.9614 -5.5997 -5.5870 -4.8119 -4.8106 -4.5221 -4.5169 5.6020 5.6098 7.3918 7.4189 7.5021 7.5197 7.5697 7.5709 7.6409 7.6538 7.8547 7.8566 8.1091 8.1092 9.0392 9.0410 9.3397 9.3408 14.4837 14.4908 15.9337 15.9460 16.4553 16.4715 16.7659 16.7676 k = 0.0000 0.4872-0.0000 ( 2552 PWs) bands (ev): -49.5112 -49.5112 -23.9841 -23.9839 -23.2428 -23.2426 -16.6156 -16.6149 -16.3970 -16.3970 -7.5448 -7.5421 -6.5083 -6.5072 -5.9778 -5.9655 -5.5925 -5.5862 -4.8111 -4.8104 -4.5192 -4.5166 5.5918 5.5957 7.3982 7.4119 7.5032 7.5119 7.5678 7.5684 7.6383 7.6450 7.8525 7.8534 8.1068 8.1068 9.0390 9.0398 9.3396 9.3402 14.4896 14.4931 15.9496 15.9557 16.4712 16.4794 16.7752 16.7761 k = 0.0000 0.5000-0.0000 ( 2544 PWs) bands (ev): -49.5112 -49.5112 -23.9840 -23.9840 -23.2427 -23.2427 -16.6155 -16.6155 -16.3969 -16.3969 -7.5440 -7.5440 -6.5076 -6.5076 -5.9709 -5.9709 -5.5880 -5.5880 -4.8106 -4.8106 -4.5174 -4.5174 5.5897 5.5897 7.4049 7.4049 7.5065 7.5065 7.5674 7.5674 7.6398 7.6398 7.8521 7.8521 8.1060 8.1060 9.0392 9.0392 9.3398 9.3398 14.4927 14.4927 15.9570 15.9570 16.4793 16.4793 16.7786 16.7786 k = 0.0000 0.5000-0.0000 ( 2544 PWs) bands (ev): -49.5112 -49.5112 -23.9840 -23.9840 -23.2427 -23.2427 -16.6155 -16.6155 -16.3969 -16.3969 -7.5440 -7.5440 -6.5076 -6.5076 -5.9709 -5.9709 -5.5880 -5.5880 -4.8106 -4.8106 -4.5174 -4.5174 5.5897 5.5897 7.4049 7.4049 7.5065 7.5065 7.5674 7.5674 7.6398 7.6398 7.8521 7.8521 8.1060 8.1060 9.0392 9.0392 9.3398 9.3398 14.4927 14.4927 15.9570 15.9570 16.4793 16.4793 16.7786 16.7786 k = 0.0128 0.5000-0.0000 ( 2552 PWs) bands (ev): -49.5112 -49.5112 -23.9841 -23.9840 -23.2427 -23.2427 -16.6159 -16.6154 -16.3980 -16.3966 -7.5429 -7.5426 -6.5091 -6.5050 -5.9863 -5.9556 -5.6144 -5.5623 -4.8224 -4.7983 -4.5194 -4.5158 5.5894 5.5898 7.3737 7.3891 7.5065 7.5099 7.5586 7.5690 7.6558 7.6657 7.8422 7.8601 8.1076 8.1116 9.0183 9.0543 9.3193 9.3559 14.4900 14.5005 15.9524 15.9630 16.4742 16.4894 16.7751 16.7807 k = 0.0256 0.5000-0.0000 ( 2552 PWs) bands (ev): -49.5112 -49.5112 -23.9843 -23.9840 -23.2426 -23.2426 -16.6164 -16.6155 -16.3995 -16.3966 -7.5392 -7.5386 -6.5094 -6.5013 -6.0018 -5.9404 -5.6412 -5.5372 -4.8336 -4.7857 -4.5218 -4.5146 5.5890 5.5898 7.3171 7.3344 7.5102 7.5113 7.5562 7.5593 7.7040 7.7081 7.8304 7.8664 8.1168 8.1247 8.9924 9.0630 9.2952 9.3672 14.4922 14.5131 15.9494 15.9703 16.4740 16.5045 16.7704 16.7815 k = 0.0385 0.5000-0.0000 ( 2552 PWs) bands (ev): -49.5112 -49.5112 -23.9845 -23.9841 -23.2425 -23.2425 -16.6171 -16.6157 -16.4014 -16.3972 -7.5330 -7.5322 -6.5086 -6.4964 -6.0173 -5.9252 -5.6684 -5.5130 -4.8440 -4.7727 -4.5245 -4.5137 5.5885 5.5897 7.2492 7.2642 7.5109 7.5127 7.5412 7.5633 7.7530 7.7568 7.8170 7.8714 8.1347 8.1464 8.9619 9.0639 9.2691 9.3735 14.4997 14.5307 15.9481 15.9790 16.4786 16.5243 16.7648 16.7809 k = 0.0513 0.5000-0.0000 ( 2554 PWs) bands (ev): -49.5112 -49.5112 -23.9848 -23.9842 -23.2424 -23.2424 -16.6180 -16.6162 -16.4039 -16.3983 -7.5244 -7.5232 -6.5067 -6.4904 -6.0329 -5.9101 -5.6959 -5.4896 -4.8537 -4.7595 -4.5276 -4.5133 5.5878 5.5895 7.1757 7.1881 7.5075 7.5140 7.5274 7.5668 7.7844 7.8037 7.8111 7.8756 8.1630 8.1777 8.9275 9.0555 9.2428 9.3748 14.5125 14.5532 15.9488 15.9889 16.4876 16.5487 16.7587 16.7788 k = 0.0641 0.5000-0.0000 ( 2550 PWs) bands (ev): -49.5112 -49.5112 -23.9851 -23.9844 -23.2423 -23.2423 -16.6190 -16.6168 -16.4067 -16.3998 -7.5135 -7.5118 -6.5037 -6.4834 -6.0486 -5.8951 -5.7237 -5.4673 -4.8624 -4.7462 -4.5310 -4.5131 5.5871 5.5891 7.0995 7.1095 7.4961 7.5144 7.5195 7.5688 7.7728 7.8382 7.8393 7.8809 8.2026 8.2190 8.8897 9.0362 9.2186 9.3715 14.5308 14.5807 15.9515 16.0001 16.5003 16.5773 16.7527 16.7755 k = 0.0769 0.5000-0.0000 ( 2538 PWs) bands (ev): -49.5111 -49.5111 -23.9854 -23.9845 -23.2422 -23.2422 -16.6202 -16.6176 -16.4098 -16.4017 -7.5002 -7.4980 -6.4997 -6.4754 -6.0643 -5.8802 -5.7515 -5.4461 -4.8700 -4.7328 -4.5347 -4.5133 5.5862 5.5886 7.0218 7.0298 7.4773 7.5142 7.5166 7.5690 7.7495 7.8581 7.8662 7.8922 8.2526 8.2694 8.8493 9.0055 9.1978 9.3638 14.5546 14.6132 15.9564 16.0127 16.5156 16.6096 16.7479 16.7711 k = 0.0897 0.5000-0.0000 ( 2538 PWs) bands (ev): -49.5111 -49.5111 -23.9858 -23.9848 -23.2420 -23.2420 -16.6217 -16.6187 -16.4134 -16.4041 -7.4848 -7.4820 -6.4946 -6.4664 -6.0800 -5.8655 -5.7791 -5.4262 -4.8765 -4.7194 -4.5386 -4.5138 5.5851 5.5880 6.9437 6.9500 7.4545 7.5133 7.5146 7.5674 7.7216 7.8622 7.8889 7.9089 8.3110 8.3270 8.8071 8.9647 9.1802 9.3521 14.5841 14.6507 15.9637 16.0268 16.5322 16.6447 16.7460 16.7665 k = 0.1026 0.5000-0.0000 ( 2538 PWs) bands (ev): -49.5111 -49.5111 -23.9862 -23.9852 -23.2418 -23.2418 -16.6234 -16.6201 -16.4173 -16.4069 -7.4673 -7.4638 -6.4886 -6.4565 -6.0958 -5.8518 -5.8057 -5.4076 -4.8816 -4.7062 -4.5427 -4.5145 5.5840 5.5873 6.8657 6.8705 7.4284 7.5114 7.5124 7.5634 7.6894 7.8601 7.9074 7.9246 8.3750 8.3897 8.7639 8.9162 9.1645 9.3370 14.6193 14.6932 15.9733 16.0426 16.5479 16.6804 16.7490 16.7639 k = 0.1154 0.5000-0.0000 ( 2542 PWs) bands (ev): -49.5111 -49.5111 -23.9868 -23.9856 -23.2415 -23.2415 -16.6253 -16.6217 -16.4216 -16.4101 -7.4478 -7.4436 -6.4817 -6.4459 -6.1116 -5.8470 -5.8233 -5.3904 -4.8853 -4.6931 -4.5469 -4.5154 5.5827 5.5865 6.7881 6.7918 7.3988 7.5085 7.5097 7.5560 7.6538 7.8548 7.9231 7.9383 8.4424 8.4552 8.7207 8.8626 9.1497 9.3189 14.6601 14.7406 15.9854 16.0600 16.5604 16.7087 16.7593 16.7713 k = 0.1282 0.5000-0.0000 ( 2548 PWs) bands (ev): -49.5110 -49.5110 -23.9874 -23.9861 -23.2413 -23.2413 -16.6275 -16.6236 -16.4260 -16.4136 -7.4266 -7.4214 -6.4740 -6.4345 -6.1273 -5.8679 -5.8148 -5.3748 -4.8875 -4.6802 -4.5512 -4.5165 5.5813 5.5855 6.7115 6.7140 7.3654 7.5041 7.5061 7.5419 7.6180 7.8466 7.9372 7.9506 8.5113 8.5219 8.6789 8.8061 9.1349 9.2985 14.7063 14.7929 15.9999 16.0792 16.5684 16.7176 16.7785 16.8007 k = 0.1410 0.5000-0.0000 ( 2544 PWs) bands (ev): -49.5110 -49.5110 -23.9880 -23.9866 -23.2410 -23.2410 -16.6298 -16.6257 -16.4305 -16.4173 -7.4036 -7.3975 -6.4655 -6.4226 -6.1430 -5.8945 -5.8003 -5.3607 -4.8881 -4.6677 -4.5555 -4.5177 5.5798 5.5844 6.6359 6.6375 7.3279 7.4963 7.5015 7.5152 7.5893 7.8355 7.9507 7.9625 8.5807 8.5847 8.6430 8.7486 9.1200 9.2763 14.7579 14.8498 16.0169 16.1003 16.5716 16.7146 16.8066 16.8449 k = 0.1538 0.5000-0.0000 ( 2544 PWs) bands (ev): -49.5110 -49.5110 -23.9886 -23.9871 -23.2407 -23.2407 -16.6323 -16.6280 -16.4351 -16.4212 -7.3791 -7.3719 -6.4563 -6.4102 -6.1586 -5.9217 -5.7847 -5.3482 -4.8870 -4.6555 -4.5596 -4.5190 5.5782 5.5833 6.5616 6.5624 7.2859 7.4611 7.4959 7.4962 7.5711 7.8214 7.9642 7.9746 8.5904 8.6496 8.6662 8.6919 9.1048 9.2528 14.8145 14.9110 16.0363 16.1232 16.5713 16.7084 16.8424 16.8952 k = 0.1667 0.5000-0.0000 ( 2542 PWs) bands (ev): -49.5109 -49.5109 -23.9892 -23.9877 -23.2404 -23.2404 -16.6351 -16.6307 -16.4398 -16.4252 -7.3533 -7.3449 -6.4467 -6.3975 -6.1741 -5.9489 -5.7686 -5.3374 -4.8843 -4.6439 -4.5634 -4.5203 5.5765 5.5820 6.4888 6.4889 7.2390 7.4013 7.4875 7.4891 7.5581 7.8041 7.9780 7.9871 8.5576 8.6376 8.7173 8.7299 9.0896 9.2285 14.8757 14.9763 16.0580 16.1479 16.5689 16.7015 16.8844 16.9489 k = 0.1795 0.5000-0.0000 ( 2550 PWs) bands (ev): -49.5109 -49.5109 -23.9899 -23.9883 -23.2401 -23.2401 -16.6382 -16.6337 -16.4445 -16.4295 -7.3262 -7.3165 -6.4366 -6.3847 -6.1894 -5.9757 -5.7521 -5.3280 -4.8799 -4.6330 -4.5668 -4.5216 5.5746 5.5806 6.4171 6.4177 7.1867 7.3316 7.4784 7.4813 7.5466 7.7836 7.9925 8.0005 8.5255 8.5869 8.7832 8.7945 9.0746 9.2040 14.9411 15.0453 16.0818 16.1743 16.5657 16.6951 16.9313 17.0050 k = 0.1923 0.5000-0.0000 ( 2554 PWs) bands (ev): -49.5109 -49.5109 -23.9907 -23.9890 -23.2398 -23.2398 -16.6415 -16.6370 -16.4491 -16.4338 -7.2981 -7.2870 -6.4262 -6.3720 -6.2046 -6.0022 -5.7351 -5.3200 -4.8740 -4.6230 -4.5695 -4.5227 5.5726 5.5790 6.3473 6.3485 7.1290 7.2545 7.4684 7.4724 7.5351 7.7598 8.0077 8.0147 8.4964 8.5410 8.8466 8.8578 9.0603 9.1796 15.0103 15.1175 16.1076 16.2022 16.5626 16.6895 16.9822 17.0630 k = 0.2051 0.5000-0.0000 ( 2558 PWs) bands (ev): -49.5108 -49.5108 -23.9914 -23.9897 -23.2394 -23.2394 -16.6450 -16.6406 -16.4536 -16.4381 -7.2691 -7.2566 -6.4157 -6.3595 -6.2195 -6.0283 -5.7177 -5.3133 -4.8667 -4.6142 -4.5710 -4.5238 5.5704 5.5773 6.2795 6.2812 7.0656 7.1714 7.4575 7.4626 7.5230 7.7332 8.0237 8.0298 8.4705 8.5004 8.9062 8.9189 9.0479 9.1559 15.0827 15.1923 16.1352 16.2315 16.5602 16.6851 17.0363 17.1223 k = 0.2179 0.5000-0.0000 ( 2558 PWs) bands (ev): -49.5108 -49.5108 -23.9921 -23.9904 -23.2391 -23.2391 -16.6487 -16.6444 -16.4578 -16.4423 -7.2394 -7.2254 -6.4053 -6.3475 -6.2342 -6.0538 -5.6997 -5.3077 -4.8580 -4.6073 -4.5707 -4.5246 5.5680 5.5755 6.2139 6.2159 6.9968 7.0835 7.4457 7.4519 7.5102 7.7043 8.0405 8.0458 8.4479 8.4654 8.9574 8.9769 9.0419 9.1338 15.1579 15.2694 16.1642 16.2617 16.5590 16.6821 17.0932 17.1823 k = 0.2308 0.5000-0.0000 ( 2558 PWs) bands (ev): -49.5107 -49.5107 -23.9929 -23.9911 -23.2387 -23.2387 -16.6526 -16.6485 -16.4619 -16.4465 -7.2090 -7.1936 -6.3949 -6.3361 -6.2486 -6.0787 -5.6813 -5.3031 -4.8481 -4.6028 -4.5682 -4.5252 5.5654 5.5735 6.1505 6.1529 6.9229 6.9918 7.4333 7.4404 7.4966 7.6737 8.0579 8.0625 8.4283 8.4361 8.9838 9.0295 9.0588 9.1155 15.2351 15.3482 16.1944 16.2925 16.5595 16.6808 17.1522 17.2413 k = 0.2436 0.5000-0.0000 ( 2554 PWs) bands (ev): -49.5107 -49.5107 -23.9935 -23.9918 -23.2383 -23.2383 -16.6566 -16.6527 -16.4658 -16.4505 -7.1783 -7.1614 -6.3849 -6.3256 -6.2627 -6.1029 -5.6623 -5.2993 -4.8372 -4.6004 -4.5635 -4.5255 5.5626 5.5713 6.0895 6.0922 6.8444 6.8974 7.4202 7.4284 7.4823 7.6421 8.0759 8.0799 8.4115 8.4118 8.9824 9.0611 9.1013 9.1166 15.3139 15.4279 16.2253 16.3231 16.5623 16.6814 17.2127 17.2781 k = 0.2564 0.5000-0.0000 ( 2558 PWs) bands (ev): -49.5106 -49.5106 -23.9943 -23.9925 -23.2380 -23.2380 -16.6608 -16.6573 -16.4694 -16.4544 -7.1472 -7.1288 -6.3754 -6.3163 -6.2765 -6.1262 -5.6429 -5.2960 -4.8255 -4.5993 -4.5575 -4.5255 5.5595 5.5688 6.0309 6.0339 6.7622 6.8012 7.4068 7.4158 7.4675 7.6101 8.0944 8.0977 8.3922 8.3972 8.9730 9.0546 9.1499 9.1544 15.3936 15.5082 16.2565 16.3527 16.5681 16.6842 17.2514 17.2800 k = 0.2692 0.5000-0.0000 ( 2558 PWs) bands (ev): -49.5106 -49.5106 -23.9950 -23.9933 -23.2376 -23.2376 -16.6652 -16.6619 -16.4728 -16.4582 -7.1159 -7.0962 -6.3665 -6.3084 -6.2899 -6.1487 -5.6231 -5.2933 -4.8129 -4.5988 -4.5510 -4.5251 5.5561 5.5660 5.9748 5.9781 6.6772 6.7045 7.3930 7.4030 7.4521 7.5782 8.1132 8.1159 8.3766 8.3852 8.9620 9.0382 9.1979 9.2004 15.4737 15.5883 16.2874 16.3803 16.5778 16.6893 17.2301 17.2758 k = 0.2821 0.5000-0.0000 ( 2554 PWs) bands (ev): -49.5105 -49.5105 -23.9957 -23.9939 -23.2372 -23.2372 -16.6696 -16.6667 -16.4758 -16.4618 -7.0845 -7.0636 -6.3584 -6.3029 -6.3022 -6.1699 -5.6029 -5.2910 -4.7997 -4.5982 -4.5444 -4.5244 5.5523 5.5629 5.9214 5.9248 6.5904 6.6081 7.3792 7.3900 7.4365 7.5470 8.1320 8.1343 8.3643 8.3751 8.9510 9.0210 9.2439 9.2457 15.5534 15.6677 16.3175 16.4046 16.5922 16.6971 17.2053 17.2525 k = 0.2949 0.5000-0.0000 ( 2556 PWs) bands (ev): -49.5105 -49.5105 -23.9964 -23.9947 -23.2369 -23.2369 -16.6742 -16.6715 -16.4786 -16.4652 -7.0532 -7.0311 -6.3513 -6.3155 -6.2980 -6.1897 -5.5825 -5.2890 -4.7860 -4.5973 -4.5380 -4.5234 5.5479 5.5594 5.8707 5.8742 6.5030 6.5130 7.3653 7.3770 7.4208 7.5167 8.1509 8.1526 8.3548 8.3667 8.9404 9.0044 9.2874 9.2888 15.6323 15.7458 16.3461 16.4248 16.6119 16.7079 17.1794 17.2272 k = 0.3077 0.5000-0.0000 ( 2544 PWs) bands (ev): -49.5104 -49.5104 -23.9969 -23.9953 -23.2365 -23.2365 -16.6786 -16.6763 -16.4811 -16.4683 -7.0221 -6.9990 -6.3452 -6.3275 -6.2965 -6.2076 -5.5619 -5.2873 -4.7720 -4.5960 -4.5321 -4.5220 5.5429 5.5553 5.8227 5.8263 6.4162 6.4204 7.3515 7.3640 7.4050 7.4876 8.1695 8.1708 8.3477 8.3598 8.9304 8.9888 9.3282 9.3293 15.7098 15.8220 16.3726 16.4407 16.6368 16.7219 17.1527 17.2007 k = 0.3205 0.5000-0.0000 ( 2544 PWs) bands (ev): -49.5104 -49.5104 -23.9976 -23.9960 -23.2362 -23.2362 -16.6831 -16.6811 -16.4834 -16.4713 -6.9913 -6.9673 -6.3425 -6.3369 -6.2984 -6.2229 -5.5412 -5.2858 -4.7576 -4.5942 -4.5266 -4.5202 5.5372 5.5505 5.7775 5.7812 6.3309 6.3310 7.3380 7.3513 7.3895 7.4598 8.1877 8.1886 8.3424 8.3542 8.9212 8.9742 9.3661 9.3670 15.7852 15.8959 16.3967 16.4529 16.6660 16.7391 17.1255 17.1734 k = 0.3333 0.5000-0.0000 ( 2548 PWs) bands (ev): -49.5104 -49.5104 -23.9982 -23.9967 -23.2358 -23.2358 -16.6876 -16.6859 -16.4854 -16.4741 -6.9609 -6.9361 -6.3520 -6.3347 -6.3041 -6.2349 -5.5208 -5.2846 -4.7430 -4.5919 -4.5216 -4.5182 5.5305 5.5448 5.7352 5.7389 6.2458 6.2485 7.3248 7.3389 7.3744 7.4336 8.2054 8.2059 8.3386 8.3497 8.9128 8.9608 9.4013 9.4019 15.8583 15.9669 16.4181 16.4622 16.6982 16.7593 17.0981 17.1457 k = 0.3462 0.5000-0.0000 ( 2558 PWs) bands (ev): -49.5103 -49.5103 -23.9989 -23.9974 -23.2355 -23.2355 -16.6920 -16.6906 -16.4873 -16.4767 -6.9309 -6.9057 -6.3631 -6.3316 -6.3137 -6.2438 -5.5006 -5.2837 -4.7283 -4.5892 -4.5171 -4.5159 5.5227 5.5381 5.6958 5.6995 6.1658 6.1699 7.3121 7.3269 7.3598 7.4090 8.2225 8.2225 8.3360 8.3461 8.9051 8.9485 9.4336 9.4341 15.9284 16.0346 16.4367 16.4696 16.7321 16.7823 17.0706 17.1178 k = 0.3590 0.5000-0.0000 ( 2554 PWs) bands (ev): -49.5103 -49.5103 -23.9994 -23.9980 -23.2352 -23.2352 -16.6961 -16.6950 -16.4888 -16.4791 -6.9016 -6.8762 -6.3740 -6.3293 -6.3261 -6.2505 -5.4808 -5.2831 -4.7137 -4.5863 -4.5134 -4.5131 5.5136 5.5301 5.6594 5.6630 6.0918 6.0962 7.3001 7.3155 7.3459 7.3860 8.2383 8.2386 8.3344 8.3433 8.8983 8.9372 9.4631 9.4634 15.9951 16.0985 16.4528 16.4758 16.7666 16.8072 17.0433 17.0900 k = 0.3718 0.5000-0.0000 ( 2548 PWs) bands (ev): -49.5103 -49.5103 -23.9999 -23.9986 -23.2349 -23.2349 -16.7001 -16.6992 -16.4901 -16.4812 -6.8730 -6.8476 -6.3848 -6.3402 -6.3277 -6.2561 -5.4616 -5.2830 -4.6991 -4.5832 -4.5108 -4.5096 5.5029 5.5204 5.6260 5.6294 6.0247 6.0286 7.2887 7.3047 7.3327 7.3649 8.2531 8.2538 8.3335 8.3412 8.8922 8.9270 9.4898 9.4901 16.0582 16.1583 16.4667 16.4814 16.8009 16.8335 17.0165 17.0624 k = 0.3846 0.5000-0.0000 ( 2546 PWs) bands (ev): -49.5102 -49.5102 -24.0003 -23.9991 -23.2347 -23.2347 -16.7038 -16.7032 -16.4912 -16.4832 -6.8453 -6.8201 -6.3954 -6.3550 -6.3267 -6.2613 -5.4432 -5.2834 -4.6848 -4.5801 -4.5081 -4.5066 5.4905 5.5090 5.5956 5.5988 5.9651 5.9679 7.2782 7.2945 7.3206 7.3456 8.2667 8.2679 8.3333 8.3397 8.8870 8.9178 9.5138 9.5140 16.1172 16.2133 16.4789 16.4868 16.8339 16.8601 16.9902 17.0351 k = 0.3974 0.5000-0.0000 ( 2550 PWs) bands (ev): -49.5102 -49.5102 -24.0007 -23.9997 -23.2344 -23.2344 -16.7073 -16.7068 -16.4921 -16.4850 -6.8186 -6.7941 -6.4058 -6.3700 -6.3261 -6.2666 -5.4255 -5.2843 -4.6709 -4.5773 -4.5054 -4.5039 5.4764 5.4955 5.5684 5.5712 5.9135 5.9150 7.2687 7.2850 7.3094 7.3282 8.2791 8.2806 8.3337 8.3386 8.8825 8.9095 9.5351 9.5352 16.1717 16.2632 16.4899 16.4926 16.8649 16.8861 16.9651 17.0085 k = 0.4103 0.5000-0.0000 ( 2554 PWs) bands (ev): -49.5102 -49.5102 -24.0012 -24.0002 -23.2342 -23.2342 -16.7105 -16.7101 -16.4929 -16.4867 -6.7931 -6.7696 -6.4160 -6.3848 -6.3257 -6.2722 -5.4088 -5.2860 -4.6574 -4.5749 -4.5028 -4.5017 5.4610 5.4802 5.5442 5.5467 5.8701 5.8702 7.2601 7.2762 7.2994 7.3129 8.2899 8.2920 8.3345 8.3381 8.8788 8.9021 9.5537 9.5538 16.2214 16.3070 16.4994 16.5002 16.8921 16.9103 16.9426 16.9831 k = 0.4231 0.5000-0.0000 ( 2556 PWs) bands (ev): -49.5102 -49.5102 -24.0015 -24.0006 -23.2340 -23.2340 -16.7133 -16.7131 -16.4935 -16.4881 -6.7691 -6.7469 -6.4260 -6.3991 -6.3252 -6.2781 -5.3931 -5.2883 -4.6446 -4.5732 -4.5004 -4.4997 5.4448 5.4633 5.5233 5.5253 5.8337 5.8347 7.2528 7.2681 7.2906 7.2997 8.2992 8.3017 8.3358 8.3380 8.8758 8.8956 9.5698 9.5698 16.2660 16.3439 16.5078 16.5102 16.9037 16.9293 16.9342 16.9617 k = 0.4359 0.5000-0.0000 ( 2548 PWs) bands (ev): -49.5101 -49.5101 -24.0016 -24.0009 -23.2339 -23.2339 -16.7157 -16.7155 -16.4938 -16.4893 -6.7468 -6.7266 -6.4354 -6.4127 -6.3244 -6.2841 -5.3784 -5.2915 -4.6325 -4.5725 -4.4982 -4.4979 5.4288 5.4458 5.5056 5.5071 5.8051 5.8067 7.2466 7.2607 7.2830 7.2888 8.3067 8.3096 8.3374 8.3384 8.8736 8.8900 9.5833 9.5833 16.3049 16.3729 16.5184 16.5203 16.8890 16.9247 16.9508 16.9624 k = 0.4487 0.5000-0.0000 ( 2548 PWs) bands (ev): -49.5101 -49.5101 -24.0018 -24.0013 -23.2337 -23.2337 -16.7177 -16.7176 -16.4940 -16.4905 -6.7266 -6.7090 -6.4440 -6.4254 -6.3231 -6.2901 -5.3648 -5.2956 -4.6213 -4.5728 -4.4964 -4.4964 5.4140 5.4287 5.4912 5.4923 5.7834 5.7853 7.2418 7.2540 7.2767 7.2800 8.3126 8.3155 8.3394 8.3395 8.8721 8.8851 9.5942 9.5943 16.3377 16.3934 16.5308 16.5311 16.8712 16.9045 16.9695 16.9771 k = 0.4615 0.5000-0.0000 ( 2544 PWs) bands (ev): -49.5101 -49.5101 -24.0019 -24.0015 -23.2336 -23.2336 -16.7193 -16.7192 -16.4941 -16.4914 -6.7092 -6.6948 -6.4512 -6.4368 -6.3213 -6.2960 -5.3523 -5.3006 -4.6110 -4.5744 -4.4951 -4.4949 5.4017 5.4133 5.4799 5.4808 5.7679 5.7696 7.2384 7.2481 7.2718 7.2735 8.3168 8.3194 8.3410 8.3414 8.8713 8.8810 9.6027 9.6028 16.3643 16.4061 16.5416 16.5443 16.8561 16.8841 16.9851 16.9904 k = 0.4744 0.5000-0.0000 ( 2540 PWs) bands (ev): -49.5101 -49.5101 -24.0020 -24.0017 -23.2335 -23.2335 -16.7204 -16.7204 -16.4939 -16.4922 -6.6950 -6.6848 -6.4563 -6.4464 -6.3188 -6.3017 -5.3409 -5.3065 -4.6018 -4.5772 -4.4941 -4.4939 5.3927 5.4007 5.4720 5.4725 5.7577 5.7589 7.2365 7.2432 7.2682 7.2690 8.3197 8.3216 8.3426 8.3431 8.8712 8.8776 9.6088 9.6088 16.3846 16.4121 16.5517 16.5556 16.8456 16.8661 16.9968 17.0001 k = 0.4872 0.5000-0.0000 ( 2528 PWs) bands (ev): -49.5101 -49.5101 -24.0018 -24.0017 -23.2335 -23.2335 -16.7210 -16.7210 -16.4937 -16.4928 -6.6850 -6.6796 -6.4586 -6.4535 -6.3155 -6.3069 -5.3307 -5.3135 -4.5937 -4.5814 -4.4934 -4.4933 5.3879 5.3920 5.4672 5.4675 5.7519 5.7526 7.2360 7.2394 7.2661 7.2663 8.3215 8.3225 8.3439 8.3442 8.8717 8.8750 9.6124 9.6124 16.3991 16.4126 16.5597 16.5625 16.8412 16.8521 17.0042 17.0059 k = 0.5000 0.5000-0.0000 ( 2528 PWs) bands (ev): -49.5101 -49.5101 -24.0018 -24.0018 -23.2335 -23.2335 -16.7212 -16.7212 -16.4933 -16.4933 -6.6797 -6.6797 -6.4577 -6.4577 -6.3115 -6.3115 -5.3216 -5.3216 -4.5869 -4.5869 -4.4931 -4.4931 5.3876 5.3876 5.4658 5.4658 5.7503 5.7503 7.2370 7.2370 7.2654 7.2654 8.3224 8.3224 8.3445 8.3445 8.8730 8.8730 9.6136 9.6136 16.4083 16.4083 16.5638 16.5638 16.8434 16.8434 17.0072 17.0072 k = 0.5000 0.5000-0.0000 ( 2528 PWs) bands (ev): -49.5101 -49.5101 -24.0018 -24.0018 -23.2335 -23.2335 -16.7212 -16.7212 -16.4933 -16.4933 -6.6797 -6.6797 -6.4577 -6.4577 -6.3115 -6.3115 -5.3216 -5.3216 -4.5869 -4.5869 -4.4931 -4.4931 5.3876 5.3876 5.4658 5.4658 5.7503 5.7503 7.2370 7.2370 7.2654 7.2654 8.3224 8.3224 8.3445 8.3445 8.8730 8.8730 9.6136 9.6136 16.4083 16.4083 16.5638 16.5638 16.8434 16.8434 17.0072 17.0072 k = 0.4909 0.4909-0.0000 ( 2528 PWs) bands (ev): -49.5101 -49.5101 -24.0018 -24.0017 -23.2335 -23.2335 -16.7210 -16.7210 -16.4937 -16.4928 -6.6850 -6.6796 -6.4587 -6.4535 -6.3155 -6.3069 -5.3307 -5.3135 -4.5938 -4.5814 -4.4934 -4.4933 5.3879 5.3920 5.4673 5.4675 5.7519 5.7526 7.2360 7.2395 7.2661 7.2663 8.3214 8.3225 8.3439 8.3442 8.8717 8.8750 9.6124 9.6124 16.3992 16.4126 16.5595 16.5626 16.8410 16.8523 17.0042 17.0059 k = 0.4818 0.4818-0.0000 ( 2536 PWs) bands (ev): -49.5101 -49.5101 -24.0019 -24.0016 -23.2335 -23.2335 -16.7203 -16.7203 -16.4939 -16.4921 -6.6952 -6.6846 -6.4567 -6.4462 -6.3187 -6.3016 -5.3410 -5.3065 -4.6018 -4.5773 -4.4942 -4.4938 5.3929 5.4011 5.4720 5.4726 5.7575 5.7588 7.2363 7.2434 7.2682 7.2689 8.3194 8.3216 8.3427 8.3432 8.8712 8.8776 9.6088 9.6088 16.3856 16.4117 16.5499 16.5561 16.8443 16.8671 16.9965 17.0009 k = 0.4727 0.4727-0.0000 ( 2544 PWs) bands (ev): -49.5101 -49.5101 -24.0019 -24.0015 -23.2336 -23.2336 -16.7192 -16.7192 -16.4941 -16.4914 -6.7093 -6.6940 -6.4525 -6.4369 -6.3208 -6.2959 -5.3523 -5.3007 -4.6109 -4.5746 -4.4956 -4.4945 5.4023 5.4147 5.4801 5.4810 5.7669 5.7690 7.2379 7.2489 7.2719 7.2733 8.3158 8.3194 8.3414 8.3419 8.8713 8.8810 9.6027 9.6028 16.3681 16.4058 16.5359 16.5448 16.8510 16.8865 16.9848 16.9937 k = 0.4636 0.4636-0.0000 ( 2544 PWs) bands (ev): -49.5101 -49.5101 -24.0018 -24.0012 -23.2337 -23.2337 -16.7176 -16.7175 -16.4940 -16.4905 -6.7266 -6.7070 -6.4471 -6.4268 -6.3213 -6.2896 -5.3647 -5.2960 -4.6211 -4.5733 -4.4975 -4.4954 5.4162 5.4326 5.4917 5.4929 5.7803 5.7830 7.2407 7.2560 7.2770 7.2794 8.3103 8.3152 8.3406 8.3410 8.8721 8.8851 9.5944 9.5944 16.3470 16.3948 16.5180 16.5290 16.8569 16.9062 16.9720 16.9876 k = 0.4545 0.4545-0.0000 ( 2544 PWs) bands (ev): -49.5101 -49.5101 -24.0016 -24.0009 -23.2339 -23.2339 -16.7155 -16.7154 -16.4938 -16.4894 -6.7460 -6.7226 -6.4413 -6.4173 -6.3198 -6.2830 -5.3781 -5.2924 -4.6321 -4.5736 -4.4999 -4.4965 5.4342 5.4546 5.5070 5.5084 5.7975 5.8008 7.2446 7.2646 7.2835 7.2874 8.3027 8.3087 8.3404 8.3409 8.8737 8.8899 9.5837 9.5837 16.3227 16.3790 16.4969 16.5092 16.8554 16.9125 16.9711 16.9878 k = 0.4455 0.4455-0.0000 ( 2540 PWs) bands (ev): -49.5101 -49.5101 -24.0013 -24.0004 -23.2341 -23.2340 -16.7128 -16.7128 -16.4934 -16.4882 -6.7670 -6.7402 -6.4355 -6.4097 -6.3157 -6.2762 -5.3925 -5.2900 -4.6439 -4.5754 -4.5029 -4.4976 5.4559 5.4798 5.5265 5.5278 5.8186 5.8224 7.2495 7.2746 7.2916 7.2973 8.2931 8.3002 8.3410 8.3417 8.8759 8.8954 9.5708 9.5708 16.2955 16.3586 16.4731 16.4855 16.8417 16.8936 16.9926 16.9984 k = 0.4364 0.4364-0.0000 ( 2554 PWs) bands (ev): -49.5102 -49.5102 -24.0011 -24.0001 -23.2343 -23.2342 -16.7100 -16.7099 -16.4929 -16.4869 -6.7890 -6.7593 -6.4302 -6.4049 -6.3087 -6.2693 -5.4080 -5.2889 -4.6563 -4.5786 -4.5065 -4.4988 5.4808 5.5075 5.5511 5.5516 5.8434 5.8476 7.2554 7.2859 7.3014 7.3091 8.2819 8.2899 8.3422 8.3431 8.8789 8.9017 9.5557 9.5558 16.2656 16.3338 16.4469 16.4582 16.8160 16.8619 17.0182 17.0235 k = 0.4273 0.4273-0.0000 ( 2556 PWs) bands (ev): -49.5102 -49.5102 -24.0008 -23.9996 -23.2345 -23.2345 -16.7065 -16.7064 -16.4923 -16.4854 -6.8116 -6.7793 -6.4257 -6.4030 -6.2991 -6.2625 -5.4243 -5.2890 -4.6691 -4.5832 -4.5106 -4.5000 5.5084 5.5363 5.5800 5.5818 5.8719 5.8765 7.2622 7.2980 7.3132 7.3228 8.2693 8.2782 8.3439 8.3450 8.8826 8.9087 9.5385 9.5386 16.2329 16.3046 16.4184 16.4273 16.7811 16.8232 17.0435 17.0574 k = 0.4182 0.4182-0.0000 ( 2554 PWs) bands (ev): -49.5102 -49.5102 -24.0003 -23.9990 -23.2348 -23.2347 -16.7026 -16.7025 -16.4915 -16.4838 -6.8346 -6.7998 -6.4219 -6.4036 -6.2878 -6.2560 -5.4416 -5.2904 -4.6822 -4.5889 -4.5152 -4.5014 5.5381 5.5659 5.6136 5.6188 5.9040 5.9090 7.2698 7.3106 7.3273 7.3385 8.2557 8.2654 8.3462 8.3475 8.8870 8.9164 9.5194 9.5195 16.1974 16.2710 16.3876 16.3930 16.7394 16.7789 17.0712 17.0919 k = 0.4091 0.4091-0.0000 ( 2552 PWs) bands (ev): -49.5103 -49.5103 -23.9998 -23.9984 -23.2351 -23.2350 -16.6982 -16.6982 -16.4905 -16.4821 -6.8577 -6.8208 -6.4191 -6.4061 -6.2756 -6.2500 -5.4596 -5.2933 -4.6954 -4.5956 -4.5202 -4.5028 5.5696 5.5965 5.6524 5.6616 5.9396 5.9449 7.2783 7.3237 7.3438 7.3560 8.2413 8.2517 8.3489 8.3504 8.8922 8.9249 9.4984 9.4986 16.1591 16.2333 16.3545 16.3554 16.6922 16.7298 17.0989 17.1255 k = 0.4000 0.4000-0.0000 ( 2558 PWs) bands (ev): -49.5103 -49.5103 -23.9994 -23.9977 -23.2354 -23.2353 -16.6936 -16.6935 -16.4895 -16.4803 -6.8808 -6.8419 -6.4171 -6.4099 -6.2633 -6.2448 -5.4784 -5.2975 -4.7084 -4.6033 -4.5258 -4.5045 5.6028 5.6287 5.6964 5.7093 5.9786 5.9842 7.2876 7.3372 7.3626 7.3754 8.2265 8.2375 8.3521 8.3537 8.8981 8.9341 9.4757 9.4759 16.1177 16.1914 16.3145 16.3188 16.6405 16.6762 17.1249 17.1569 k = 0.3909 0.3909-0.0000 ( 2562 PWs) bands (ev): -49.5104 -49.5104 -23.9988 -23.9971 -23.2358 -23.2356 -16.6885 -16.6885 -16.4883 -16.4784 -6.9036 -6.8630 -6.4159 -6.4149 -6.2515 -6.2404 -5.4978 -5.3034 -4.7213 -4.6118 -4.5317 -4.5063 5.6376 5.6629 5.7452 5.7613 6.0209 6.0268 7.2977 7.3514 7.3834 7.3966 8.2115 8.2231 8.3558 8.3575 8.9047 8.9441 9.4515 9.4516 16.0733 16.1456 16.2703 16.2801 16.5853 16.6187 17.1474 17.1846 k = 0.3818 0.3818-0.0000 ( 2560 PWs) bands (ev): -49.5104 -49.5104 -23.9982 -23.9962 -23.2362 -23.2360 -16.6830 -16.6829 -16.4870 -16.4764 -6.9261 -6.8838 -6.4207 -6.4155 -6.2405 -6.2372 -5.5177 -5.3107 -4.7336 -4.6208 -4.5380 -4.5084 5.6742 5.6993 5.7986 5.8171 6.0664 6.0725 7.3085 7.3664 7.4061 7.4196 8.1967 8.2087 8.3600 8.3617 8.9120 8.9549 9.4257 9.4258 16.0255 16.0961 16.2228 16.2380 16.5272 16.5576 17.1648 17.2071 k = 0.3727 0.3727-0.0000 ( 2560 PWs) bands (ev): -49.5104 -49.5104 -23.9975 -23.9954 -23.2367 -23.2364 -16.6771 -16.6771 -16.4855 -16.4743 -6.9482 -6.9044 -6.4272 -6.4159 -6.2352 -6.2307 -5.5379 -5.3197 -4.7454 -4.6304 -4.5446 -4.5107 5.7128 5.7380 5.8560 5.8763 6.1149 6.1213 7.3199 7.3822 7.4306 7.4443 8.1823 8.1947 8.3647 8.3664 8.9201 8.9664 9.3987 9.3988 15.9745 16.0430 16.1722 16.1920 16.4669 16.4933 17.1756 17.2227 k = 0.3636 0.3636-0.0000 ( 2560 PWs) bands (ev): -49.5105 -49.5105 -23.9967 -23.9945 -23.2371 -23.2368 -16.6709 -16.6709 -16.4839 -16.4721 -6.9698 -6.9246 -6.4343 -6.4170 -6.2344 -6.2223 -5.5583 -5.3303 -4.7564 -4.6404 -4.5516 -4.5134 5.7533 5.7789 5.9172 5.9384 6.1664 6.1732 7.3320 7.3988 7.4568 7.4708 8.1686 8.1813 8.3699 8.3717 8.9288 8.9785 9.3705 9.3706 15.9201 15.9867 16.1183 16.1416 16.4048 16.4264 17.1783 17.2297 k = 0.3545 0.3545-0.0000 ( 2560 PWs) bands (ev): -49.5105 -49.5105 -23.9960 -23.9936 -23.2376 -23.2372 -16.6644 -16.6644 -16.4822 -16.4699 -6.9908 -6.9444 -6.4420 -6.4187 -6.2351 -6.2157 -5.5787 -5.3425 -4.7666 -4.6506 -4.5588 -4.5164 5.7958 5.8221 5.9819 6.0031 6.2205 6.2279 7.3448 7.4162 7.4847 7.4989 8.1560 8.1689 8.3757 8.3774 8.9383 8.9914 9.3414 9.3414 15.8624 15.9274 16.0612 16.0865 16.3416 16.3573 17.1719 17.2268 k = 0.3455 0.3455-0.0000 ( 2560 PWs) bands (ev): -49.5106 -49.5106 -23.9951 -23.9926 -23.2382 -23.2377 -16.6576 -16.6575 -16.4804 -16.4676 -7.0112 -6.9635 -6.4501 -6.4210 -6.2372 -6.2108 -5.5990 -5.3562 -4.7759 -4.6611 -4.5662 -4.5197 5.8402 5.8674 6.0496 6.0700 6.2773 6.2854 7.3581 7.4345 7.5142 7.5286 8.1447 8.1576 8.3821 8.3837 8.9484 9.0050 9.3114 9.3114 15.8015 15.8654 16.0008 16.0266 16.2772 16.2864 17.1558 17.2127 k = 0.3364 0.3364-0.0000 ( 2560 PWs) bands (ev): -49.5106 -49.5106 -23.9942 -23.9916 -23.2388 -23.2382 -16.6505 -16.6505 -16.4785 -16.4652 -7.0309 -6.9821 -6.4587 -6.4239 -6.2407 -6.2079 -5.6189 -5.3714 -4.7842 -4.6716 -4.5739 -4.5234 5.8865 5.9147 6.1202 6.1386 6.3364 6.3457 7.3719 7.4537 7.5451 7.5599 8.1350 8.1479 8.3892 8.3906 8.9591 9.0191 9.2808 9.2809 15.7375 15.8009 15.9374 15.9621 16.2119 16.2140 17.1299 17.1865 k = 0.3273 0.3273-0.0000 ( 2560 PWs) bands (ev): -49.5107 -49.5107 -23.9933 -23.9905 -23.2394 -23.2387 -16.6431 -16.6431 -16.4765 -16.4627 -7.0500 -7.0001 -6.4678 -6.4274 -6.2456 -6.2071 -5.6384 -5.3880 -4.7916 -4.6821 -4.5818 -4.5275 5.9347 5.9639 6.1932 6.2086 6.3978 6.4086 7.3863 7.4738 7.5775 7.5926 8.1271 8.1399 8.3969 8.3982 8.9705 9.0338 9.2498 9.2499 15.6705 15.7342 15.8709 15.8934 16.1407 16.1453 17.0944 17.1473 k = 0.3182 0.3182-0.0000 ( 2566 PWs) bands (ev): -49.5108 -49.5108 -23.9924 -23.9895 -23.2400 -23.2392 -16.6355 -16.6355 -16.4744 -16.4602 -7.0683 -7.0174 -6.4772 -6.4315 -6.2519 -6.2085 -5.6572 -5.4058 -4.7982 -4.6926 -4.5898 -4.5320 5.9846 6.0149 6.2684 6.2795 6.4612 6.4740 7.4012 7.4948 7.6112 7.6267 8.1212 8.1338 8.4054 8.4064 8.9824 9.0490 9.2185 9.2189 15.6008 15.6654 15.8017 15.8211 16.0666 16.0773 17.0498 17.0953 k = 0.3091 0.3091-0.0000 ( 2566 PWs) bands (ev): -49.5108 -49.5108 -23.9914 -23.9883 -23.2406 -23.2398 -16.6277 -16.6277 -16.4722 -16.4577 -7.0859 -7.0339 -6.4870 -6.4360 -6.2595 -6.2121 -5.6753 -5.4247 -4.8039 -4.7029 -4.5981 -4.5370 6.0362 6.0676 6.3454 6.3509 6.5265 6.5419 7.4167 7.5169 7.6462 7.6620 8.1177 8.1300 8.4147 8.4154 8.9947 9.0643 9.1873 9.1882 15.5286 15.5949 15.7300 15.7458 15.9921 16.0076 16.9968 17.0332 k = 0.3000 0.3000-0.0000 ( 2566 PWs) bands (ev): -49.5109 -49.5109 -23.9903 -23.9872 -23.2413 -23.2404 -16.6197 -16.6196 -16.4700 -16.4551 -7.1027 -7.0498 -6.4971 -6.4411 -6.2683 -6.2178 -5.6924 -5.4446 -4.8088 -4.7130 -4.6065 -4.5425 6.0892 6.1217 6.4225 6.4238 6.5934 6.6120 7.4328 7.5402 7.6822 7.6985 8.1166 8.1285 8.4248 8.4252 9.0073 9.0788 9.1564 9.1588 15.4543 15.5228 15.6563 15.6683 15.9172 15.9361 16.9356 16.9649 k = 0.2909 0.2909-0.0000 ( 2558 PWs) bands (ev): -49.5109 -49.5109 -23.9891 -23.9859 -23.2420 -23.2410 -16.6114 -16.6114 -16.4676 -16.4525 -7.1188 -7.0650 -6.5075 -6.4466 -6.2783 -6.2256 -5.7086 -5.4652 -4.8130 -4.7229 -4.6151 -4.5485 6.1436 6.1770 6.4938 6.5033 6.6618 6.6840 7.4495 7.5646 7.7192 7.7360 8.1183 8.1297 8.4359 8.4359 9.0197 9.0886 9.1266 9.1349 15.3781 15.4495 15.5809 15.5892 15.8422 15.8628 16.8673 16.8925 k = 0.2818 0.2818-0.0000 ( 2558 PWs) bands (ev): -49.5110 -49.5110 -23.9880 -23.9846 -23.2427 -23.2416 -16.6031 -16.6030 -16.4652 -16.4499 -7.1341 -7.0796 -6.5181 -6.4526 -6.2893 -6.2355 -5.7237 -5.4864 -4.8167 -4.7324 -4.6238 -4.5550 6.1991 6.2333 6.5647 6.5835 6.7313 6.7577 7.4670 7.5904 7.7570 7.7743 8.1229 8.1336 8.4475 8.4479 9.0305 9.0794 9.0994 9.1311 15.3004 15.3751 15.5043 15.5090 15.7672 15.7876 16.7930 16.8171 k = 0.2727 0.2727-0.0000 ( 2550 PWs) bands (ev): -49.5111 -49.5111 -23.9868 -23.9833 -23.2435 -23.2422 -16.5946 -16.5945 -16.4626 -16.4472 -7.1487 -7.0934 -6.5288 -6.4590 -6.3012 -6.2472 -5.7379 -5.5081 -4.8198 -4.7417 -4.6328 -4.5620 6.2557 6.2904 6.6349 6.6639 6.8019 6.8325 7.4854 7.6176 7.7954 7.8133 8.1305 8.1405 8.4601 8.4610 9.0337 9.0547 9.0810 9.1438 15.2215 15.2999 15.4268 15.4284 15.6923 15.7109 16.7141 16.7389 k = 0.2636 0.2636-0.0000 ( 2558 PWs) bands (ev): -49.5111 -49.5111 -23.9857 -23.9821 -23.2442 -23.2429 -16.5861 -16.5861 -16.4602 -16.4446 -7.1626 -7.1066 -6.5397 -6.4658 -6.3138 -6.2605 -5.7512 -5.5301 -4.8224 -4.7505 -4.6419 -4.5696 6.3132 6.3481 6.7043 6.7440 6.8731 6.9079 7.5048 7.6465 7.8342 7.8526 8.1413 8.1504 8.4737 8.4752 9.0195 9.0273 9.0813 9.1606 15.1418 15.2240 15.3478 15.3490 15.6176 15.6329 16.6318 16.6579 k = 0.2545 0.2545-0.0000 ( 2554 PWs) bands (ev): -49.5112 -49.5112 -23.9845 -23.9808 -23.2450 -23.2436 -16.5775 -16.5774 -16.4576 -16.4420 -7.1758 -7.1193 -6.5505 -6.4730 -6.3271 -6.2753 -5.7636 -5.5522 -4.8247 -4.7590 -4.6512 -4.5777 6.3712 6.4059 6.7728 6.8233 6.9448 6.9834 7.5257 7.6771 7.8732 7.8921 8.1556 8.1634 8.4885 8.4905 8.9961 9.0000 9.0925 9.1787 15.0618 15.1477 15.2676 15.2710 15.5432 15.5539 16.5469 16.5744 k = 0.2455 0.2455-0.0000 ( 2552 PWs) bands (ev): -49.5113 -49.5113 -23.9832 -23.9795 -23.2458 -23.2443 -16.5689 -16.5688 -16.4550 -16.4394 -7.1883 -7.1313 -6.5613 -6.4806 -6.3408 -6.2913 -5.7752 -5.5744 -4.8267 -4.7670 -4.6607 -4.5864 6.4297 6.4637 6.8404 6.9013 7.0164 7.0583 7.5485 7.7095 7.9120 7.9314 8.1735 8.1797 8.5044 8.5069 8.9713 8.9740 9.1070 9.1974 14.9817 15.0713 15.1883 15.1933 15.4692 15.4740 16.4598 16.4885 k = 0.2364 0.2364-0.0000 ( 2558 PWs) bands (ev): -49.5113 -49.5113 -23.9821 -23.9783 -23.2466 -23.2450 -16.5603 -16.5602 -16.4524 -16.4369 -7.2002 -7.1429 -6.5719 -6.4885 -6.3549 -6.3083 -5.7862 -5.5965 -4.8284 -4.7747 -4.6704 -4.5956 6.4884 6.5211 6.9070 6.9774 7.0875 7.1319 7.5735 7.7439 7.9504 7.9702 8.1951 8.1992 8.5214 8.5244 8.9474 8.9496 9.1226 9.2165 14.9021 14.9949 15.1102 15.1161 15.3937 15.3957 16.3709 16.4004 k = 0.2273 0.2273-0.0000 ( 2558 PWs) bands (ev): -49.5114 -49.5114 -23.9808 -23.9770 -23.2474 -23.2457 -16.5517 -16.5516 -16.4498 -16.4344 -7.2115 -7.1540 -6.5822 -6.4967 -6.3690 -6.3260 -5.7965 -5.6184 -4.8300 -4.7819 -4.6803 -4.6054 6.5469 6.5777 6.9725 7.0511 7.1574 7.2038 7.6015 7.7802 7.9881 8.0082 8.2208 8.2222 8.5393 8.5428 8.9255 8.9276 9.1390 9.2359 14.8231 14.9189 15.0335 15.0396 15.3132 15.3228 16.2806 16.3104 k = 0.2182 0.2182-0.0000 ( 2562 PWs) bands (ev): -49.5115 -49.5115 -23.9796 -23.9757 -23.2482 -23.2465 -16.5432 -16.5431 -16.4472 -16.4320 -7.2222 -7.1648 -6.5922 -6.5051 -6.3832 -6.3441 -5.8064 -5.6401 -4.8313 -4.7888 -4.6904 -4.6156 6.6051 6.6332 7.0369 7.1217 7.2255 7.2731 7.6333 7.8185 8.0249 8.0449 8.2486 8.2506 8.5578 8.5616 8.9064 8.9085 9.1557 9.2553 14.7454 14.8435 14.9587 14.9641 15.2325 15.2506 16.1892 16.2189 k = 0.2091 0.2091-0.0000 ( 2562 PWs) bands (ev): -49.5115 -49.5115 -23.9783 -23.9745 -23.2490 -23.2472 -16.5347 -16.5346 -16.4446 -16.4295 -7.2324 -7.1752 -6.6016 -6.5137 -6.3972 -6.3625 -5.8160 -5.6615 -4.8325 -4.7952 -4.7006 -4.6263 6.6626 6.6873 7.1003 7.1886 7.2910 7.3395 7.6696 7.8585 8.0604 8.0801 8.2785 8.2848 8.5763 8.5804 8.8908 8.8932 9.1728 9.2747 14.6690 14.7691 14.8857 14.8897 15.1520 15.1791 16.0971 16.1263 k = 0.2000 0.2000-0.0000 ( 2554 PWs) bands (ev): -49.5116 -49.5116 -23.9770 -23.9731 -23.2498 -23.2479 -16.5263 -16.5262 -16.4419 -16.4272 -7.2422 -7.1853 -6.6105 -6.5225 -6.4109 -6.3810 -5.8252 -5.6825 -4.8336 -4.8012 -4.7110 -4.6374 6.7192 6.7397 7.1625 7.2512 7.3535 7.4024 7.7112 7.9001 8.0945 8.1135 8.3117 8.3235 8.5941 8.5983 8.8799 8.8828 9.1901 9.2940 14.5944 14.6958 14.8150 14.8167 15.0718 15.1085 16.0045 16.0329 k = 0.1909 0.1909-0.0000 ( 2554 PWs) bands (ev): -49.5116 -49.5116 -23.9757 -23.9719 -23.2506 -23.2487 -16.5180 -16.5179 -16.4393 -16.4249 -7.2515 -7.1953 -6.6187 -6.5314 -6.4241 -6.3993 -5.8343 -5.7031 -4.8345 -4.8069 -4.7215 -4.6488 6.7745 6.7900 7.2235 7.3087 7.4128 7.4616 7.7581 7.9430 8.1271 8.1450 8.3482 8.3666 8.6100 8.6141 8.8749 8.8785 9.2075 9.3132 14.5217 14.6241 14.7453 14.7466 14.9920 15.0387 15.9120 15.9391 k = 0.1818 0.1818-0.0000 ( 2554 PWs) bands (ev): -49.5117 -49.5117 -23.9745 -23.9706 -23.2513 -23.2494 -16.5100 -16.5099 -16.4368 -16.4227 -7.2604 -7.2050 -6.6261 -6.5404 -6.4368 -6.4174 -5.8431 -5.7233 -4.8354 -4.8122 -4.7321 -4.6605 6.8280 6.8380 7.2833 7.3608 7.4692 7.5167 7.8101 7.9868 8.1581 8.1746 8.3878 8.4141 8.6227 8.6266 8.8768 8.8815 9.2249 9.3320 14.4514 14.5540 14.6755 14.6807 14.9126 14.9699 15.8198 15.8455 k = 0.1727 0.1727-0.0000 ( 2554 PWs) bands (ev): -49.5118 -49.5118 -23.9732 -23.9695 -23.2521 -23.2502 -16.5021 -16.5020 -16.4343 -16.4206 -7.2690 -7.2147 -6.6326 -6.5494 -6.4488 -6.4350 -5.8519 -5.7430 -4.8362 -4.8171 -4.7427 -4.6725 6.8795 6.8835 7.3417 7.4074 7.5230 7.5678 7.8663 8.0313 8.1875 8.2024 8.4303 8.4656 8.6315 8.6351 8.8862 8.8926 9.2424 9.3505 14.3835 14.4860 14.6075 14.6175 14.8338 14.9021 15.7283 15.7524 k = 0.1636 0.1636-0.0000 ( 2558 PWs) bands (ev): -49.5118 -49.5118 -23.9721 -23.9684 -23.2528 -23.2509 -16.4945 -16.4944 -16.4318 -16.4186 -7.2772 -7.2243 -6.6381 -6.5585 -6.4600 -6.4521 -5.8605 -5.7622 -4.8370 -4.8218 -4.7532 -4.6846 6.9263 6.9286 7.3985 7.4493 7.5743 7.6147 7.9255 8.0761 8.2155 8.2286 8.4752 8.5207 8.6363 8.6396 8.9029 8.9114 9.2598 9.3685 14.3183 14.4202 14.5414 14.5572 14.7557 14.8354 15.6381 15.6603 k = 0.1545 0.1545-0.0000 ( 2552 PWs) bands (ev): -49.5119 -49.5119 -23.9708 -23.9672 -23.2536 -23.2516 -16.4870 -16.4869 -16.4294 -16.4166 -7.2850 -7.2338 -6.6427 -6.5674 -6.4703 -6.4685 -5.8691 -5.7808 -4.8377 -4.8261 -4.7637 -4.6968 6.9663 6.9749 7.4537 7.4873 7.6229 7.6575 7.9863 8.1210 8.2423 8.2534 8.5223 8.5785 8.6381 8.6411 8.9256 8.9368 9.2771 9.3860 14.2559 14.3568 14.4774 14.4997 14.6785 14.7699 15.5495 15.5698 k = 0.1455 0.1455-0.0000 ( 2550 PWs) bands (ev): -49.5119 -49.5119 -23.9697 -23.9661 -23.2543 -23.2524 -16.4798 -16.4798 -16.4270 -16.4148 -7.2926 -7.2433 -6.6463 -6.5762 -6.4841 -6.4798 -5.8776 -5.7988 -4.8383 -4.8302 -4.7741 -4.7089 7.0036 7.0180 7.5069 7.5226 7.6685 7.6963 8.0475 8.1658 8.2681 8.2773 8.5709 8.6339 8.6381 8.6450 8.9529 8.9674 9.2944 9.4028 14.1965 14.2960 14.4156 14.4452 14.6025 14.7058 15.4629 15.4812 k = 0.1364 0.1364-0.0000 ( 2550 PWs) bands (ev): -49.5120 -49.5120 -23.9685 -23.9651 -23.2549 -23.2531 -16.4729 -16.4729 -16.4247 -16.4131 -7.2998 -7.2527 -6.6489 -6.5848 -6.4988 -6.4884 -5.8860 -5.8163 -4.8389 -4.8341 -4.7842 -4.7209 7.0380 7.0577 7.5561 7.5581 7.7108 7.7311 8.1080 8.2102 8.2930 8.3005 8.6184 8.6373 8.6395 8.7012 8.9832 9.0017 9.3114 9.4188 14.1400 14.2378 14.3560 14.3937 14.5280 14.6434 15.3787 15.3950 k = 0.1273 0.1273-0.0000 ( 2554 PWs) bands (ev): -49.5120 -49.5120 -23.9674 -23.9642 -23.2556 -23.2537 -16.4664 -16.4664 -16.4225 -16.4115 -7.3067 -7.2620 -6.6505 -6.5931 -6.5125 -6.4961 -5.8944 -5.8330 -4.8394 -4.8378 -4.7940 -4.7327 7.0696 7.0937 7.5884 7.6069 7.7494 7.7621 8.1670 8.2541 8.3173 8.3233 8.6320 8.6352 8.6752 8.7628 9.0154 9.0384 9.3282 9.4340 14.0867 14.1824 14.2987 14.3451 14.4556 14.5828 15.2974 15.3117 k = 0.1182 0.1182-0.0000 ( 2542 PWs) bands (ev): -49.5121 -49.5121 -23.9662 -23.9631 -23.2562 -23.2544 -16.4601 -16.4601 -16.4204 -16.4100 -7.3132 -7.2712 -6.6514 -6.6011 -6.5251 -6.5029 -5.9026 -5.8491 -4.8413 -4.8400 -4.8034 -4.7441 7.0984 7.1260 7.6200 7.6531 7.7842 7.7895 8.2237 8.2972 8.3411 8.3461 8.6311 8.6331 8.7258 8.8239 9.0485 9.0766 9.3448 9.4482 14.0364 14.1297 14.2439 14.2989 14.3864 14.5245 15.2193 15.2318 k = 0.1091 0.1091-0.0000 ( 2546 PWs) bands (ev): -49.5121 -49.5121 -23.9653 -23.9623 -23.2567 -23.2550 -16.4543 -16.4543 -16.4184 -16.4087 -7.3194 -7.2802 -6.6516 -6.6088 -6.5365 -6.5089 -5.9107 -5.8645 -4.8447 -4.8406 -4.8123 -4.7550 7.1247 7.1546 7.6510 7.6963 7.8135 7.8151 8.2774 8.3391 8.3645 8.3691 8.6300 8.6313 8.7768 8.8834 9.0822 9.1153 9.3611 9.4613 13.9892 14.0796 14.1917 14.2538 14.3222 14.4688 15.1448 15.1556 k = 0.1000 0.1000-0.0000 ( 2542 PWs) bands (ev): -49.5121 -49.5121 -23.9643 -23.9615 -23.2572 -23.2556 -16.4489 -16.4488 -16.4164 -16.4074 -7.3252 -7.2889 -6.6513 -6.6161 -6.5465 -6.5142 -5.9185 -5.8790 -4.8479 -4.8415 -4.8204 -4.7655 7.1484 7.1794 7.6814 7.7363 7.8343 7.8422 8.3271 8.3792 8.3876 8.3928 8.6292 8.6301 8.8268 8.9398 9.1161 9.1539 9.3769 9.4732 13.9451 14.0320 14.1424 14.2073 14.2665 14.4161 15.0743 15.0836 k = 0.0909 0.0909-0.0000 ( 2548 PWs) bands (ev): -49.5122 -49.5122 -23.9634 -23.9609 -23.2577 -23.2562 -16.4438 -16.4438 -16.4146 -16.4064 -7.3306 -7.2973 -6.6507 -6.6229 -6.5550 -6.5188 -5.9261 -5.8927 -4.8511 -4.8429 -4.8272 -4.7752 7.1697 7.2008 7.7109 7.7728 7.8525 7.8656 8.3714 8.4084 8.4181 8.4193 8.6289 8.6293 8.8753 8.9918 9.1506 9.1918 9.3922 9.4838 13.9038 13.9868 14.0962 14.1574 14.2220 14.3668 15.0081 15.0161 k = 0.0818 0.0818-0.0000 ( 2542 PWs) bands (ev): -49.5122 -49.5122 -23.9625 -23.9602 -23.2581 -23.2567 -16.4391 -16.4391 -16.4129 -16.4054 -7.3354 -7.3053 -6.6501 -6.6292 -6.5617 -6.5229 -5.9334 -5.9054 -4.8543 -4.8455 -4.8321 -4.7843 7.1887 7.2189 7.7392 7.8051 7.8687 7.8858 8.4079 8.4299 8.4470 8.4558 8.6291 8.6291 8.9214 9.0378 9.1860 9.2286 9.4068 9.4930 13.8655 13.9435 14.0536 14.1065 14.1874 14.3213 14.9466 14.9535 k = 0.0727 0.0727-0.0000 ( 2538 PWs) bands (ev): -49.5122 -49.5122 -23.9617 -23.9595 -23.2585 -23.2572 -16.4349 -16.4349 -16.4113 -16.4046 -7.3398 -7.3129 -6.6498 -6.6348 -6.5666 -6.5266 -5.9402 -5.9171 -4.8573 -4.8497 -4.8346 -4.7925 7.2055 7.2340 7.7659 7.8324 7.8838 7.9032 8.4360 8.4499 8.4794 8.4900 8.6294 8.6297 8.9647 9.0768 9.2226 9.2638 9.4205 9.5007 13.8301 13.9020 14.0149 14.0582 14.1598 14.2798 14.8903 14.8961 k = 0.0636 0.0636-0.0000 ( 2538 PWs) bands (ev): -49.5123 -49.5123 -23.9610 -23.9591 -23.2588 -23.2577 -16.4311 -16.4311 -16.4099 -16.4040 -7.3436 -7.3200 -6.6499 -6.6399 -6.5696 -6.5300 -5.9465 -5.9278 -4.8603 -4.8546 -4.8356 -4.7998 7.2203 7.2464 7.7905 7.8539 7.8988 7.9180 8.4585 8.4685 8.5120 8.5212 8.6300 8.6306 9.0045 9.1081 9.2600 9.2970 9.4330 9.5065 13.7976 13.8623 13.9805 14.0151 14.1376 14.2424 14.8394 14.8443 k = 0.0545 0.0545-0.0000 ( 2538 PWs) bands (ev): -49.5123 -49.5123 -23.9603 -23.9587 -23.2591 -23.2581 -16.4278 -16.4278 -16.4086 -16.4035 -7.3467 -7.3265 -6.6506 -6.6444 -6.5707 -6.5333 -5.9521 -5.9373 -4.8632 -4.8594 -4.8358 -4.8063 7.2332 7.2564 7.8127 7.8692 7.9143 7.9307 8.4776 8.4853 8.5419 8.5492 8.6309 8.6318 9.0404 9.1322 9.2973 9.3276 9.4441 9.5105 13.7683 13.8247 13.9509 13.9780 14.1199 14.2093 14.7943 14.7984 k = 0.0455 0.0455-0.0000 ( 2538 PWs) bands (ev): -49.5123 -49.5123 -23.9597 -23.9583 -23.2593 -23.2585 -16.4250 -16.4250 -16.4074 -16.4031 -7.3492 -7.3323 -6.6517 -6.6481 -6.5702 -6.5365 -5.9571 -5.9455 -4.8660 -4.8637 -4.8355 -4.8119 7.2442 7.2640 7.8321 7.8791 7.9295 7.9416 8.4940 8.5001 8.5679 8.5733 8.6320 8.6332 9.0722 9.1501 9.3328 9.3554 9.4536 9.5124 13.7427 13.7899 13.9262 13.9472 14.1063 14.1805 14.7554 14.7588 k = 0.0364 0.0364-0.0000 ( 2533 PWs) bands (ev): -49.5123 -49.5123 -23.9592 -23.9580 -23.2595 -23.2588 -16.4226 -16.4226 -16.4063 -16.4029 -7.3510 -7.3375 -6.6530 -6.6512 -6.5683 -6.5398 -5.9612 -5.9525 -4.8684 -4.8672 -4.8349 -4.8167 7.2535 7.2697 7.8485 7.8852 7.9430 7.9507 8.5078 8.5125 8.5891 8.5931 8.6336 8.6349 9.0996 9.1624 9.3653 9.3798 9.4613 9.5119 13.7213 13.7590 13.9065 13.9225 14.0968 14.1558 14.7231 14.7258 k = 0.0273 0.0273-0.0000 ( 2533 PWs) bands (ev): -49.5123 -49.5123 -23.9587 -23.9579 -23.2596 -23.2591 -16.4208 -16.4208 -16.4055 -16.4029 -7.3521 -7.3419 -6.6544 -6.6536 -6.5655 -6.5432 -5.9643 -5.9582 -4.8705 -4.8700 -4.8340 -4.8208 7.2611 7.2734 7.8619 7.8885 7.9539 7.9583 8.5188 8.5224 8.6050 8.6080 8.6358 8.6371 9.1227 9.1698 9.3934 9.4004 9.4673 9.5090 13.7048 13.7329 13.8917 13.9033 14.0912 14.1352 14.6977 14.6997 k = 0.0182 0.0182-0.0000 ( 2533 PWs) bands (ev): -49.5124 -49.5124 -23.9584 -23.9578 -23.2597 -23.2593 -16.4195 -16.4194 -16.4047 -16.4030 -7.3524 -7.3456 -6.6555 -6.6552 -6.5620 -6.5468 -5.9664 -5.9625 -4.8721 -4.8720 -4.8328 -4.8242 7.2671 7.2754 7.8724 7.8896 7.9618 7.9639 8.5271 8.5294 8.6154 8.6173 8.6388 8.6399 9.1413 9.1727 9.4154 9.4167 9.4725 9.5036 13.6938 13.7123 13.8818 13.8894 14.0892 14.1185 14.6794 14.6807 k = 0.0091 0.0091-0.0000 ( 2537 PWs) bands (ev): -49.5124 -49.5124 -23.9582 -23.9579 -23.2597 -23.2595 -16.4187 -16.4187 -16.4041 -16.4032 -7.3519 -7.3485 -6.6563 -6.6562 -6.5583 -6.5505 -5.9673 -5.9654 -4.8732 -4.8731 -4.8312 -4.8270 7.2715 7.2757 7.8801 7.8886 7.9666 7.9674 8.5323 8.5334 8.6208 8.6217 8.6419 8.6424 9.1555 9.1712 9.4280 9.4291 9.4785 9.4958 13.6887 13.6980 13.8767 13.8804 14.0910 14.1056 14.6685 14.6691 k = 0.0000 0.0000 0.0000 ( 2541 PWs) bands (ev): -49.5124 -49.5124 -23.9580 -23.9580 -23.2596 -23.2596 -16.4184 -16.4184 -16.4037 -16.4037 -7.3506 -7.3506 -6.6566 -6.6566 -6.5544 -6.5544 -5.9670 -5.9670 -4.8735 -4.8735 -4.8293 -4.8293 7.2744 7.2744 7.8855 7.8855 7.9684 7.9684 8.5344 8.5344 8.6226 8.6226 8.6434 8.6434 9.1655 9.1655 9.4328 9.4328 9.4868 9.4868 13.6901 13.6901 13.8762 13.8762 14.0965 14.0965 14.6650 14.6650 k = 0.0000 0.0000 0.0000 ( 2541 PWs) bands (ev): -49.5124 -49.5124 -23.9580 -23.9580 -23.2596 -23.2596 -16.4184 -16.4184 -16.4037 -16.4037 -7.3506 -7.3506 -6.6566 -6.6566 -6.5544 -6.5544 -5.9670 -5.9670 -4.8735 -4.8735 -4.8293 -4.8293 7.2744 7.2744 7.8855 7.8855 7.9684 7.9684 8.5344 8.5344 8.6226 8.6226 8.6434 8.6434 9.1655 9.1655 9.4328 9.4328 9.4868 9.4868 13.6901 13.6901 13.8762 13.8762 14.0965 14.0965 14.6650 14.6650 k = 0.0000 0.0000 0.0126 ( 2533 PWs) bands (ev): -49.5124 -49.5124 -23.9580 -23.9580 -23.2596 -23.2596 -16.4184 -16.4184 -16.4039 -16.4039 -7.3507 -7.3507 -6.6565 -6.6565 -6.5534 -6.5534 -5.9666 -5.9666 -4.8735 -4.8735 -4.8289 -4.8289 7.2735 7.2735 7.8841 7.8841 7.9679 7.9679 8.5333 8.5333 8.6209 8.6209 8.6417 8.6417 9.1642 9.1642 9.4329 9.4329 9.4820 9.4820 13.6910 13.6910 13.8800 13.8800 14.1000 14.1000 14.6688 14.6688 k = 0.0000 0.0000 0.0252 ( 2533 PWs) bands (ev): -49.5124 -49.5124 -23.9581 -23.9581 -23.2595 -23.2595 -16.4183 -16.4183 -16.4047 -16.4047 -7.3511 -7.3511 -6.6564 -6.6564 -6.5507 -6.5507 -5.9654 -5.9654 -4.8734 -4.8734 -4.8275 -4.8275 7.2709 7.2709 7.8802 7.8802 7.9663 7.9663 8.5298 8.5298 8.6160 8.6160 8.6365 8.6365 9.1600 9.1600 9.4332 9.4332 9.4680 9.4680 13.6939 13.6939 13.8915 13.8915 14.1106 14.1106 14.6799 14.6799 k = 0.0000 0.0000 0.0379 ( 2533 PWs) bands (ev): -49.5124 -49.5124 -23.9582 -23.9582 -23.2594 -23.2594 -16.4183 -16.4183 -16.4061 -16.4061 -7.3519 -7.3519 -6.6562 -6.6562 -6.5460 -6.5460 -5.9634 -5.9634 -4.8733 -4.8733 -4.8251 -4.8251 7.2665 7.2665 7.8736 7.8736 7.9637 7.9637 8.5242 8.5242 8.6078 8.6078 8.6280 8.6280 9.1524 9.1524 9.4336 9.4336 9.4456 9.4456 13.6986 13.6986 13.9105 13.9105 14.1282 14.1282 14.6984 14.6984 k = 0.0000 0.0000 0.0505 ( 2533 PWs) bands (ev): -49.5123 -49.5123 -23.9585 -23.9585 -23.2592 -23.2592 -16.4182 -16.4182 -16.4081 -16.4081 -7.3530 -7.3530 -6.6559 -6.6559 -6.5394 -6.5394 -5.9607 -5.9607 -4.8731 -4.8731 -4.8219 -4.8219 7.2602 7.2602 7.8645 7.8645 7.9600 7.9600 8.5163 8.5163 8.5964 8.5964 8.6163 8.6163 9.1404 9.1404 9.4163 9.4163 9.4341 9.4341 13.7051 13.7051 13.9369 13.9369 14.1528 14.1528 14.7240 14.7240 k = 0.0000 0.0000 0.0631 ( 2541 PWs) bands (ev): -49.5123 -49.5123 -23.9589 -23.9589 -23.2590 -23.2590 -16.4181 -16.4181 -16.4108 -16.4108 -7.3545 -7.3545 -6.6556 -6.6556 -6.5307 -6.5307 -5.9573 -5.9573 -4.8728 -4.8728 -4.8178 -4.8178 7.2520 7.2520 7.8529 7.8529 7.9554 7.9554 8.5063 8.5063 8.5821 8.5821 8.6016 8.6016 9.1224 9.1224 9.3827 9.3827 9.4347 9.4347 13.7132 13.7132 13.9706 13.9706 14.1844 14.1844 14.7565 14.7565 k = 0.0000 0.0000 0.0757 ( 2545 PWs) bands (ev): -49.5123 -49.5123 -23.9593 -23.9593 -23.2588 -23.2588 -16.4180 -16.4180 -16.4138 -16.4138 -7.3565 -7.3565 -6.6552 -6.6552 -6.5199 -6.5199 -5.9532 -5.9532 -4.8725 -4.8725 -4.8129 -4.8129 7.2417 7.2417 7.8390 7.8390 7.9498 7.9498 8.4943 8.4943 8.5648 8.5648 8.5840 8.5840 9.0957 9.0957 9.3480 9.3480 9.4354 9.4354 13.7228 13.7228 14.0113 14.0113 14.2228 14.2228 14.7956 14.7956 k = 0.0000 0.0000 0.0883 ( 2545 PWs) bands (ev): -49.5123 -49.5123 -23.9597 -23.9597 -23.2585 -23.2585 -16.4178 -16.4178 -16.4174 -16.4174 -7.3592 -7.3592 -6.6547 -6.6547 -6.5069 -6.5069 -5.9486 -5.9486 -4.8721 -4.8721 -4.8071 -4.8071 7.2292 7.2292 7.8230 7.8230 7.9432 7.9432 8.4804 8.4804 8.5449 8.5449 8.5638 8.5638 9.0579 9.0579 9.3158 9.3158 9.4362 9.4362 13.7337 13.7337 14.0586 14.0586 14.2679 14.2679 14.8410 14.8410 k = 0.0000 0.0000 0.1009 ( 2545 PWs) bands (ev): -49.5123 -49.5123 -23.9602 -23.9602 -23.2582 -23.2582 -16.4214 -16.4214 -16.4176 -16.4176 -7.3625 -7.3625 -6.6541 -6.6541 -6.4916 -6.4916 -5.9434 -5.9434 -4.8717 -4.8717 -4.8005 -4.8005 7.2143 7.2143 7.8050 7.8050 7.9357 7.9357 8.4647 8.4647 8.5225 8.5225 8.5413 8.5413 9.0074 9.0074 9.2889 9.2889 9.4369 9.4369 13.7459 13.7459 14.1125 14.1125 14.3195 14.3195 14.8924 14.8924 k = 0.0000 0.0000 0.1136 ( 2557 PWs) bands (ev): -49.5123 -49.5123 -23.9609 -23.9609 -23.2578 -23.2578 -16.4259 -16.4259 -16.4175 -16.4175 -7.3665 -7.3665 -6.6535 -6.6535 -6.4740 -6.4740 -5.9378 -5.9378 -4.8713 -4.8713 -4.7933 -4.7933 7.1968 7.1968 7.7851 7.7851 7.9273 7.9273 8.4473 8.4473 8.4979 8.4979 8.5167 8.5167 8.9449 8.9449 9.2677 9.2677 9.4376 9.4376 13.7593 13.7593 14.1724 14.1724 14.3773 14.3773 14.9493 14.9493 k = 0.0000 0.0000 0.1262 ( 2557 PWs) bands (ev): -49.5123 -49.5123 -23.9615 -23.9615 -23.2574 -23.2574 -16.4308 -16.4308 -16.4172 -16.4172 -7.3714 -7.3714 -6.6528 -6.6528 -6.4540 -6.4540 -5.9318 -5.9318 -4.8708 -4.8708 -4.7853 -4.7853 7.1763 7.1763 7.7638 7.7638 7.9181 7.9181 8.4284 8.4284 8.4713 8.4713 8.4904 8.4904 8.8726 8.8726 9.2512 9.2512 9.4383 9.4383 13.7737 13.7737 14.2381 14.2381 14.4411 14.4411 15.0114 15.0114 k = 0.0000 0.0000 0.1388 ( 2557 PWs) bands (ev): -49.5122 -49.5122 -23.9622 -23.9622 -23.2570 -23.2570 -16.4361 -16.4361 -16.4170 -16.4170 -7.3770 -7.3770 -6.6521 -6.6521 -6.4316 -6.4316 -5.9255 -5.9255 -4.8703 -4.8703 -4.7767 -4.7767 7.1526 7.1526 7.7411 7.7411 7.9082 7.9082 8.4082 8.4082 8.4430 8.4430 8.4625 8.4625 8.7931 8.7931 9.2381 9.2381 9.4390 9.4390 13.7893 13.7893 14.3092 14.3092 14.5104 14.5104 15.0783 15.0783 k = 0.0000 0.0000 0.1514 ( 2557 PWs) bands (ev): -49.5122 -49.5122 -23.9628 -23.9628 -23.2566 -23.2566 -16.4416 -16.4416 -16.4167 -16.4167 -7.3834 -7.3834 -6.6513 -6.6513 -6.4069 -6.4069 -5.9189 -5.9189 -4.8697 -4.8697 -4.7675 -4.7675 7.1253 7.1253 7.7174 7.7174 7.8975 7.8975 8.3868 8.3868 8.4132 8.4132 8.4335 8.4335 8.7089 8.7089 9.2274 9.2274 9.4395 9.4395 13.8058 13.8058 14.3853 14.3853 14.5849 14.5849 15.1495 15.1495 k = 0.0000 0.0000 0.1640 ( 2557 PWs) bands (ev): -49.5122 -49.5122 -23.9636 -23.9636 -23.2561 -23.2561 -16.4475 -16.4475 -16.4165 -16.4165 -7.3906 -7.3906 -6.6505 -6.6505 -6.3800 -6.3800 -5.9122 -5.9122 -4.8691 -4.8691 -4.7578 -4.7578 7.0939 7.0939 7.6931 7.6931 7.8862 7.8862 8.3644 8.3644 8.3821 8.3821 8.4036 8.4036 8.6220 8.6220 9.2182 9.2182 9.4400 9.4400 13.8233 13.8233 14.4660 14.4660 14.6643 14.6643 15.2246 15.2246 k = 0.0000 0.0000 0.1766 ( 2557 PWs) bands (ev): -49.5121 -49.5121 -23.9643 -23.9643 -23.2556 -23.2556 -16.4537 -16.4537 -16.4162 -16.4162 -7.3985 -7.3985 -6.6496 -6.6496 -6.3510 -6.3510 -5.9053 -5.9053 -4.8684 -4.8684 -4.7477 -4.7477 7.0581 7.0581 7.6683 7.6683 7.8742 7.8742 8.3410 8.3410 8.3500 8.3500 8.3732 8.3732 8.5341 8.5341 9.2101 9.2101 9.4404 9.4404 13.8416 13.8416 14.5508 14.5508 14.7481 14.7481 15.3027 15.3027 k = 0.0000 0.0000 0.1893 ( 2549 PWs) bands (ev): -49.5121 -49.5121 -23.9650 -23.9650 -23.2551 -23.2551 -16.4599 -16.4599 -16.4158 -16.4158 -7.4071 -7.4071 -6.6487 -6.6487 -6.3201 -6.3201 -5.8983 -5.8983 -4.8678 -4.8678 -4.7372 -4.7372 7.0175 7.0175 7.6435 7.6435 7.8618 7.8618 8.3169 8.3169 8.3172 8.3172 8.3425 8.3425 8.4468 8.4468 9.2028 9.2028 9.4408 9.4408 13.8607 13.8607 14.6395 14.6395 14.8360 14.8360 15.3833 15.3833 k = 0.0000 0.0000 0.2019 ( 2549 PWs) bands (ev): -49.5121 -49.5121 -23.9659 -23.9659 -23.2545 -23.2545 -16.4665 -16.4665 -16.4155 -16.4155 -7.4163 -7.4163 -6.6477 -6.6477 -6.2874 -6.2874 -5.8912 -5.8912 -4.8671 -4.8671 -4.7265 -4.7265 6.9718 6.9718 7.6189 7.6189 7.8488 7.8488 8.2837 8.2837 8.2920 8.2920 8.3119 8.3119 8.3617 8.3617 9.1961 9.1961 9.4410 9.4410 13.8807 13.8807 14.7316 14.7316 14.9275 14.9275 15.4655 15.4655 k = 0.0000 0.0000 0.2145 ( 2541 PWs) bands (ev): -49.5120 -49.5120 -23.9666 -23.9666 -23.2540 -23.2540 -16.4731 -16.4731 -16.4151 -16.4151 -7.4259 -7.4259 -6.6468 -6.6468 -6.2532 -6.2532 -5.8841 -5.8841 -4.8664 -4.8664 -4.7155 -4.7155 6.9209 6.9209 7.5948 7.5948 7.8355 7.8355 8.2485 8.2485 8.2662 8.2662 8.2808 8.2808 8.2819 8.2819 9.1898 9.1898 9.4412 9.4412 13.9012 13.9012 14.8266 14.8266 15.0222 15.0222 15.5481 15.5481 k = 0.0000 0.0000 0.2271 ( 2541 PWs) bands (ev): -49.5120 -49.5120 -23.9675 -23.9675 -23.2534 -23.2534 -16.4798 -16.4798 -16.4148 -16.4148 -7.4360 -7.4360 -6.6458 -6.6458 -6.2178 -6.2178 -5.8769 -5.8769 -4.8657 -4.8657 -4.7043 -4.7043 6.8646 6.8646 7.5715 7.5715 7.8219 7.8219 8.1952 8.1952 8.2220 8.2220 8.2394 8.2394 8.2532 8.2532 9.1839 9.1839 9.4413 9.4413 13.9224 13.9224 14.9242 14.9242 15.1197 15.1197 15.6301 15.6301 k = 0.0000 0.0000 0.2397 ( 2553 PWs) bands (ev): -49.5120 -49.5120 -23.9685 -23.9685 -23.2529 -23.2529 -16.4866 -16.4866 -16.4146 -16.4146 -7.4465 -7.4465 -6.6448 -6.6448 -6.1814 -6.1814 -5.8696 -5.8696 -4.8650 -4.8650 -4.6931 -4.6931 6.8032 6.8032 7.5490 7.5490 7.8080 7.8080 8.1233 8.1233 8.1866 8.1866 8.2115 8.2115 8.2261 8.2261 9.1783 9.1783 9.4413 9.4413 13.9441 13.9441 15.0238 15.0238 15.2195 15.2195 15.7106 15.7106 k = 0.0000 0.0000 0.2523 ( 2545 PWs) bands (ev): -49.5119 -49.5119 -23.9692 -23.9692 -23.2523 -23.2523 -16.4933 -16.4933 -16.4142 -16.4142 -7.4570 -7.4570 -6.6438 -6.6438 -6.1445 -6.1445 -5.8622 -5.8622 -4.8643 -4.8643 -4.6818 -4.6818 6.7372 6.7372 7.5276 7.5276 7.7939 7.7939 8.0544 8.0544 8.1534 8.1534 8.1831 8.1831 8.2003 8.2003 9.1730 9.1730 9.4413 9.4413 13.9662 13.9662 15.1251 15.1251 15.3212 15.3212 15.7888 15.7888 k = 0.0000 0.0000 0.2650 ( 2545 PWs) bands (ev): -49.5119 -49.5119 -23.9701 -23.9701 -23.2517 -23.2517 -16.5000 -16.5000 -16.4139 -16.4139 -7.4677 -7.4677 -6.6428 -6.6428 -6.1074 -6.1074 -5.8545 -5.8545 -4.8636 -4.8636 -4.6707 -4.6707 6.6672 6.6672 7.5073 7.5073 7.7798 7.7798 7.9903 7.9903 8.1211 8.1211 8.1550 8.1550 8.1755 8.1755 9.1679 9.1679 9.4413 9.4413 13.9885 13.9885 15.2276 15.2276 15.4244 15.4244 15.8645 15.8645 k = 0.0000 0.0000 0.2776 ( 2545 PWs) bands (ev): -49.5118 -49.5118 -23.9710 -23.9710 -23.2512 -23.2512 -16.5067 -16.5067 -16.4136 -16.4136 -7.4785 -7.4785 -6.6419 -6.6419 -6.0706 -6.0706 -5.8465 -5.8465 -4.8629 -4.8629 -4.6596 -4.6596 6.5940 6.5940 7.4880 7.4880 7.7656 7.7656 7.9314 7.9314 8.0898 8.0898 8.1275 8.1275 8.1515 8.1515 9.1631 9.1631 9.4412 9.4412 14.0111 14.0111 15.3309 15.3309 15.5285 15.5285 15.9377 15.9377 k = 0.0000 0.0000 0.2902 ( 2545 PWs) bands (ev): -49.5118 -49.5118 -23.9718 -23.9718 -23.2506 -23.2506 -16.5132 -16.5132 -16.4133 -16.4133 -7.4891 -7.4891 -6.6409 -6.6409 -6.0346 -6.0346 -5.8379 -5.8379 -4.8622 -4.8622 -4.6488 -4.6488 6.5185 6.5185 7.4699 7.4699 7.7516 7.7516 7.8775 7.8775 8.0594 8.0594 8.1010 8.1010 8.1283 8.1283 9.1586 9.1586 9.4411 9.4411 14.0336 14.0336 15.4343 15.4343 15.6331 15.6331 16.0083 16.0083 k = 0.0000 0.0000 0.3028 ( 2545 PWs) bands (ev): -49.5118 -49.5118 -23.9727 -23.9727 -23.2501 -23.2501 -16.5195 -16.5195 -16.4130 -16.4130 -7.4995 -7.4995 -6.6400 -6.6400 -6.0002 -6.0002 -5.8282 -5.8282 -4.8615 -4.8615 -4.6383 -4.6383 6.4418 6.4418 7.4528 7.4528 7.7377 7.7377 7.8284 7.8284 8.0301 8.0301 8.0757 8.0757 8.1059 8.1059 9.1544 9.1544 9.4409 9.4409 14.0561 14.0561 15.5375 15.5375 15.7378 15.7378 16.0765 16.0765 k = 0.0000 0.0000 0.3154 ( 2537 PWs) bands (ev): -49.5117 -49.5117 -23.9734 -23.9734 -23.2496 -23.2496 -16.5255 -16.5255 -16.4126 -16.4126 -7.5097 -7.5097 -6.6391 -6.6391 -5.9682 -5.9682 -5.8171 -5.8171 -4.8608 -4.8608 -4.6281 -4.6281 6.3649 6.3649 7.4367 7.4367 7.7241 7.7241 7.7841 7.7841 8.0021 8.0021 8.0516 8.0516 8.0845 8.0845 9.1503 9.1503 9.4407 9.4407 14.0783 14.0783 15.6399 15.6399 15.8418 15.8418 16.1423 16.1423 k = 0.0000 0.0000 0.3281 ( 2537 PWs) bands (ev): -49.5117 -49.5117 -23.9741 -23.9741 -23.2491 -23.2491 -16.5313 -16.5313 -16.4124 -16.4124 -7.5195 -7.5195 -6.6382 -6.6382 -5.9397 -5.9397 -5.8038 -5.8038 -4.8602 -4.8602 -4.6184 -4.6184 6.2889 6.2889 7.4216 7.4216 7.7108 7.7108 7.7441 7.7441 7.9755 7.9755 8.0290 8.0290 8.0641 8.0641 9.1466 9.1466 9.4406 9.4406 14.1000 14.1000 15.7408 15.7408 15.9447 15.9447 16.2055 16.2055 k = 0.0000 0.0000 0.3407 ( 2561 PWs) bands (ev): -49.5117 -49.5117 -23.9751 -23.9751 -23.2486 -23.2486 -16.5371 -16.5371 -16.4123 -16.4123 -7.5289 -7.5289 -6.6373 -6.6373 -5.9155 -5.9155 -5.7876 -5.7876 -4.8596 -4.8596 -4.6091 -4.6091 6.2146 6.2146 7.4074 7.4074 7.6981 7.6981 7.7083 7.7083 7.9503 7.9503 8.0079 8.0079 8.0448 8.0448 9.1430 9.1430 9.4404 9.4404 14.1212 14.1212 15.8397 15.8397 16.0459 16.0459 16.2659 16.2659 k = 0.0000 0.0000 0.3533 ( 2561 PWs) bands (ev): -49.5117 -49.5117 -23.9758 -23.9758 -23.2481 -23.2481 -16.5423 -16.5423 -16.4120 -16.4120 -7.5377 -7.5377 -6.6366 -6.6366 -5.8961 -5.8961 -5.7685 -5.7685 -4.8590 -4.8590 -4.6004 -4.6004 6.1430 6.1430 7.3942 7.3942 7.6763 7.6763 7.6859 7.6859 7.9267 7.9267 7.9883 7.9883 8.0268 8.0268 9.1398 9.1398 9.4402 9.4402 14.1416 14.1416 15.9360 15.9360 16.1447 16.1447 16.3232 16.3232 k = 0.0000 0.0000 0.3659 ( 2561 PWs) bands (ev): -49.5116 -49.5116 -23.9765 -23.9765 -23.2477 -23.2477 -16.5472 -16.5472 -16.4118 -16.4118 -7.5460 -7.5460 -6.6358 -6.6358 -5.8812 -5.8812 -5.7470 -5.7470 -4.8585 -4.8585 -4.5922 -4.5922 6.0749 6.0749 7.3819 7.3819 7.6480 7.6480 7.6743 7.6743 7.9049 7.9049 7.9704 7.9704 8.0100 8.0100 9.1368 9.1368 9.4400 9.4400 14.1611 14.1611 16.0288 16.0288 16.2403 16.2403 16.3772 16.3772 k = 0.0000 0.0000 0.3785 ( 2561 PWs) bands (ev): -49.5116 -49.5116 -23.9771 -23.9771 -23.2473 -23.2473 -16.5517 -16.5517 -16.4115 -16.4115 -7.5537 -7.5537 -6.6351 -6.6351 -5.8700 -5.8700 -5.7242 -5.7242 -4.8580 -4.8580 -4.5847 -4.5847 6.0111 6.0111 7.3704 7.3704 7.6232 7.6232 7.6636 7.6636 7.8848 7.8848 7.9541 7.9541 7.9946 7.9946 9.1341 9.1341 9.4398 9.4398 14.1794 14.1794 16.1174 16.1174 16.3319 16.3319 16.4275 16.4275 k = 0.0000 0.0000 0.3911 ( 2561 PWs) bands (ev): -49.5116 -49.5116 -23.9776 -23.9776 -23.2470 -23.2470 -16.5559 -16.5559 -16.4113 -16.4113 -7.5607 -7.5607 -6.6345 -6.6345 -5.8615 -5.8615 -5.7015 -5.7015 -4.8575 -4.8575 -4.5778 -4.5778 5.9523 5.9523 7.3600 7.3600 7.6016 7.6016 7.6536 7.6536 7.8666 7.8666 7.9395 7.9395 7.9806 7.9806 9.1317 9.1317 9.4397 9.4397 14.1965 14.1965 16.2008 16.2008 16.4186 16.4186 16.4737 16.4737 k = 0.0000 0.0000 0.4038 ( 2557 PWs) bands (ev): -49.5116 -49.5116 -23.9781 -23.9781 -23.2467 -23.2467 -16.5595 -16.5595 -16.4111 -16.4111 -7.5670 -7.5670 -6.6339 -6.6339 -5.8550 -5.8550 -5.6798 -5.6798 -4.8571 -4.8571 -4.5717 -4.5717 5.8990 5.8990 7.3505 7.3505 7.5830 7.5830 7.6446 7.6446 7.8504 7.8504 7.9266 7.9266 7.9682 7.9682 9.1295 9.1295 9.4395 9.4395 14.2120 14.2120 16.2783 16.2783 16.4994 16.4994 16.5156 16.5156 k = 0.0000 0.0000 0.4164 ( 2565 PWs) bands (ev): -49.5116 -49.5116 -23.9786 -23.9786 -23.2464 -23.2464 -16.5628 -16.5628 -16.4110 -16.4110 -7.5726 -7.5726 -6.6334 -6.6334 -5.8500 -5.8500 -5.6599 -5.6599 -4.8568 -4.8568 -4.5663 -4.5663 5.8517 5.8517 7.3421 7.3421 7.5673 7.5673 7.6367 7.6367 7.8361 7.8361 7.9153 7.9153 7.9572 7.9572 9.1277 9.1277 9.4394 9.4394 14.2259 14.2259 16.3486 16.3486 16.5526 16.5526 16.5732 16.5732 k = 0.0000 0.0000 0.4290 ( 2565 PWs) bands (ev): -49.5116 -49.5116 -23.9789 -23.9789 -23.2461 -23.2461 -16.5656 -16.5656 -16.4108 -16.4108 -7.5773 -7.5773 -6.6330 -6.6330 -5.8461 -5.8461 -5.6423 -5.6423 -4.8565 -4.8565 -4.5617 -4.5617 5.8110 5.8110 7.3348 7.3348 7.5543 7.5543 7.6298 7.6298 7.8240 7.8240 7.9059 7.9059 7.9479 7.9479 9.1261 9.1261 9.4393 9.4393 14.2379 14.2379 16.4108 16.4108 16.5846 16.5846 16.6385 16.6385 k = 0.0000 0.0000 0.4416 ( 2562 PWs) bands (ev): -49.5115 -49.5115 -23.9792 -23.9792 -23.2459 -23.2459 -16.5679 -16.5679 -16.4107 -16.4107 -7.5812 -7.5812 -6.6327 -6.6327 -5.8431 -5.8431 -5.6274 -5.6274 -4.8562 -4.8562 -4.5578 -4.5578 5.7772 5.7772 7.3287 7.3287 7.5439 7.5439 7.6241 7.6241 7.8140 7.8140 7.8981 7.8981 7.9402 7.9402 9.1248 9.1248 9.4392 9.4392 14.2480 14.2480 16.4637 16.4637 16.6112 16.6112 16.6873 16.6873 k = 0.0000 0.0000 0.4542 ( 2562 PWs) bands (ev): -49.5115 -49.5115 -23.9795 -23.9795 -23.2458 -23.2458 -16.5697 -16.5697 -16.4106 -16.4106 -7.5843 -7.5843 -6.6324 -6.6324 -5.8409 -5.8409 -5.6155 -5.6155 -4.8560 -4.8560 -4.5549 -4.5549 5.7506 5.7506 7.3239 7.3239 7.5359 7.5359 7.6196 7.6196 7.8062 7.8062 7.8921 7.8921 7.9342 7.9342 9.1238 9.1238 9.4391 9.4391 14.2559 14.2559 16.5062 16.5062 16.6321 16.6321 16.7080 16.7080 k = 0.0000 0.0000 0.4668 ( 2558 PWs) bands (ev): -49.5115 -49.5115 -23.9796 -23.9796 -23.2457 -23.2457 -16.5709 -16.5709 -16.4105 -16.4105 -7.5865 -7.5865 -6.6322 -6.6322 -5.8394 -5.8394 -5.6069 -5.6069 -4.8559 -4.8559 -4.5527 -4.5527 5.7314 5.7314 7.3204 7.3204 7.5303 7.5303 7.6163 7.6163 7.8005 7.8005 7.8877 7.8877 7.9299 7.9299 9.1230 9.1230 9.4390 9.4390 14.2617 14.2617 16.5375 16.5375 16.6472 16.6472 16.7222 16.7222 k = 0.0000 0.0000 0.4795 ( 2558 PWs) bands (ev): -49.5115 -49.5115 -23.9797 -23.9797 -23.2456 -23.2456 -16.5717 -16.5717 -16.4105 -16.4105 -7.5878 -7.5878 -6.6321 -6.6321 -5.8385 -5.8385 -5.6017 -5.6017 -4.8558 -4.8558 -4.5514 -4.5514 5.7198 5.7198 7.3183 7.3183 7.5269 7.5269 7.6144 7.6144 7.7972 7.7972 7.8852 7.8852 7.9273 7.9273 9.1226 9.1226 9.4390 9.4390 14.2652 14.2652 16.5566 16.5566 16.6563 16.6563 16.7307 16.7307 k = 0.0000 0.0000 0.4921 ( 2546 PWs) bands (ev): -49.5115 -49.5115 -23.9796 -23.9796 -23.2456 -23.2456 -16.5719 -16.5719 -16.4103 -16.4103 -7.5883 -7.5883 -6.6320 -6.6320 -5.8382 -5.8382 -5.5999 -5.5999 -4.8557 -4.8557 -4.5510 -4.5510 5.7159 5.7159 7.3176 7.3176 7.5258 7.5258 7.6137 7.6137 7.7960 7.7960 7.8843 7.8843 7.9265 7.9265 9.1225 9.1225 9.4390 9.4390 14.2664 14.2664 16.5630 16.5630 16.6593 16.6593 16.7336 16.7336 k = 0.0000 0.0000 0.4921 ( 2546 PWs) bands (ev): -49.5115 -49.5115 -23.9796 -23.9796 -23.2456 -23.2456 -16.5719 -16.5719 -16.4103 -16.4103 -7.5883 -7.5883 -6.6320 -6.6320 -5.8382 -5.8382 -5.5999 -5.5999 -4.8557 -4.8557 -4.5510 -4.5510 5.7159 5.7159 7.3176 7.3176 7.5258 7.5258 7.6137 7.6137 7.7960 7.7960 7.8843 7.8843 7.9265 7.9265 9.1225 9.1225 9.4390 9.4390 14.2664 14.2664 16.5630 16.5630 16.6593 16.6593 16.7336 16.7336 k = 0.0000 0.0128 0.4921 ( 2556 PWs) bands (ev): -49.5115 -49.5115 -23.9799 -23.9795 -23.2457 -23.2454 -16.5724 -16.5716 -16.4107 -16.4107 -7.5876 -7.5867 -6.6314 -6.6314 -5.8481 -5.8309 -5.6047 -5.5936 -4.8552 -4.8552 -4.5530 -4.5494 5.7157 5.7160 7.2881 7.3386 7.4749 7.5437 7.6195 7.6273 7.7811 7.8022 7.8711 7.8833 7.9429 7.9526 9.1193 9.1199 9.4355 9.4356 14.2702 14.2704 16.5560 16.5584 16.6595 16.6650 16.7304 16.7333 k = 0.0000 0.0256 0.4921 ( 2560 PWs) bands (ev): -49.5115 -49.5115 -23.9802 -23.9795 -23.2458 -23.2452 -16.5731 -16.5715 -16.4116 -16.4115 -7.5847 -7.5829 -6.6296 -6.6296 -5.8603 -5.8265 -5.6074 -5.5860 -4.8536 -4.8535 -4.5553 -4.5481 5.7155 5.7161 7.2488 7.3527 7.4086 7.5336 7.6287 7.6560 7.7630 7.8013 7.8612 7.8733 7.9915 7.9985 9.1102 9.1115 9.4253 9.4256 14.2818 14.2822 16.5408 16.5436 16.6644 16.6741 16.7273 16.7299 k = 0.0000 0.0385 0.4921 ( 2560 PWs) bands (ev): -49.5115 -49.5115 -23.9805 -23.9795 -23.2459 -23.2450 -16.5739 -16.5716 -16.4129 -16.4128 -7.5797 -7.5769 -6.6266 -6.6266 -5.8742 -5.8254 -5.6079 -5.5775 -4.8509 -4.8507 -4.5580 -4.5472 5.7151 5.7161 7.1995 7.3329 7.3633 7.5163 7.6363 7.6818 7.7474 7.7979 7.8533 7.8645 8.0531 8.0571 9.0951 9.0969 9.4091 9.4096 14.3011 14.3017 16.5215 16.5229 16.6710 16.6838 16.7269 16.7278 k = 0.0000 0.0513 0.4921 ( 2564 PWs) bands (ev): -49.5115 -49.5115 -23.9810 -23.9796 -23.2459 -23.2448 -16.5749 -16.5718 -16.4147 -16.4146 -7.5726 -7.5687 -6.6226 -6.6224 -5.8895 -5.8275 -5.6061 -5.5684 -4.8472 -4.8469 -4.5610 -4.5466 5.7147 5.7160 7.1415 7.2551 7.3677 7.4988 7.6411 7.6996 7.7374 7.7951 7.8452 7.8560 8.1217 8.1245 9.0733 9.0755 9.3880 9.3889 14.3280 14.3287 16.5000 16.5007 16.6758 16.6918 16.7304 16.7310 k = 0.0000 0.0641 0.4921 ( 2562 PWs) bands (ev): -49.5115 -49.5115 -23.9814 -23.9796 -23.2459 -23.2445 -16.5761 -16.5722 -16.4169 -16.4168 -7.5634 -7.5583 -6.6174 -6.6169 -5.9059 -5.8325 -5.6023 -5.5591 -4.8425 -4.8419 -4.5643 -4.5464 5.7142 5.7158 7.0766 7.1743 7.3695 7.4828 7.6431 7.7037 7.7388 7.7938 7.8361 7.8469 8.1945 8.1974 9.0444 9.0469 9.3634 9.3648 14.3621 14.3631 16.4769 16.4801 16.6770 16.6962 16.7395 16.7415 k = 0.0000 0.0769 0.4921 ( 2556 PWs) bands (ev): -49.5114 -49.5114 -23.9818 -23.9797 -23.2458 -23.2442 -16.5775 -16.5728 -16.4196 -16.4194 -7.5523 -7.5459 -6.6112 -6.6103 -5.9230 -5.8401 -5.5968 -5.5495 -4.8370 -4.8360 -4.5679 -4.5464 5.7136 5.7156 7.0068 7.0923 7.3685 7.4680 7.6420 7.6966 7.7497 7.7945 7.8258 7.8370 8.2694 8.2734 9.0081 9.0104 9.3369 9.3389 14.4033 14.4045 16.4552 16.4608 16.6753 16.6974 16.7546 16.7577 k = 0.0000 0.0897 0.4921 ( 2552 PWs) bands (ev): -49.5114 -49.5114 -23.9823 -23.9799 -23.2458 -23.2439 -16.5790 -16.5735 -16.4228 -16.4223 -7.5395 -7.5316 -6.6041 -6.6025 -5.9406 -5.8497 -5.5900 -5.5400 -4.8307 -4.8291 -4.5716 -4.5467 5.7129 5.7153 6.9340 7.0098 7.3650 7.4541 7.6379 7.6859 7.7621 7.7967 7.8145 7.8265 8.3453 8.3508 8.9644 8.9660 9.3100 9.3123 14.4512 14.4528 16.4356 16.4435 16.6718 16.6969 16.7739 16.7781 k = 0.0000 0.1026 0.4921 ( 2548 PWs) bands (ev): -49.5114 -49.5114 -23.9828 -23.9801 -23.2457 -23.2436 -16.5808 -16.5745 -16.4263 -16.4256 -7.5250 -7.5153 -6.5961 -6.5936 -5.9585 -5.8610 -5.5822 -5.5306 -4.8236 -4.8213 -4.5756 -4.5472 5.7122 5.7149 6.8592 6.9274 7.3591 7.4406 7.6304 7.6732 7.7724 7.7968 7.8042 7.8187 8.4208 8.4285 8.9141 8.9142 9.2835 9.2862 14.5054 14.5074 16.4186 16.4286 16.6678 16.6957 16.7964 16.8014 k = 0.0000 0.1154 0.4921 ( 2548 PWs) bands (ev): -49.5113 -49.5113 -23.9834 -23.9804 -23.2455 -23.2432 -16.5829 -16.5758 -16.4301 -16.4293 -7.5090 -7.4974 -6.5874 -6.5837 -5.9764 -5.8735 -5.5737 -5.5213 -4.8159 -4.8128 -4.5796 -4.5478 5.7114 5.7145 6.7836 6.8456 7.3508 7.4269 7.6196 7.6586 7.7717 7.7877 7.8033 7.8206 8.4948 8.5056 8.8559 8.8592 9.2582 9.2611 14.5656 14.5680 16.4049 16.4165 16.6636 16.6941 16.8211 16.8270 k = 0.0000 0.1282 0.4921 ( 2552 PWs) bands (ev): -49.5113 -49.5113 -23.9841 -23.9809 -23.2453 -23.2429 -16.5853 -16.5773 -16.4343 -16.4331 -7.4916 -7.4779 -6.5781 -6.5727 -5.9941 -5.8870 -5.5648 -5.5122 -4.8077 -4.8035 -4.5837 -4.5486 5.7105 5.7140 6.7077 6.7646 7.3399 7.4126 7.6053 7.6415 7.7579 7.7719 7.8141 7.8293 8.5646 8.5808 8.7938 8.8031 9.2341 9.2372 14.6312 14.6342 16.3945 16.4074 16.6595 16.6926 16.8472 16.8540 k = 0.0000 0.1410 0.4921 ( 2544 PWs) bands (ev): -49.5113 -49.5113 -23.9847 -23.9812 -23.2451 -23.2425 -16.5878 -16.5790 -16.4385 -16.4370 -7.4730 -7.4569 -6.5683 -6.5609 -6.0114 -5.9010 -5.5556 -5.5033 -4.7990 -4.7935 -4.5878 -4.5494 5.7094 5.7134 6.6321 6.6848 7.3262 7.3972 7.5875 7.6216 7.7390 7.7530 7.8285 7.8411 8.6200 8.6490 8.7344 8.7576 9.2114 9.2146 14.7020 14.7055 16.3877 16.4016 16.6557 16.6912 16.8737 16.8814 k = 0.0000 0.1538 0.4921 ( 2548 PWs) bands (ev): -49.5112 -49.5112 -23.9855 -23.9818 -23.2449 -23.2421 -16.5907 -16.5812 -16.4430 -16.4411 -7.4535 -7.4347 -6.5581 -6.5482 -6.0282 -5.9155 -5.5462 -5.4945 -4.7900 -4.7831 -4.5918 -4.5502 5.7083 5.7128 6.5574 6.6063 7.3089 7.3800 7.5659 7.5982 7.7174 7.7318 7.8442 7.8548 8.6229 8.6466 8.7430 8.7626 9.1900 9.1931 14.7772 14.7814 16.3846 16.3992 16.6524 16.6902 16.8996 16.9082 k = 0.0000 0.1667 0.4921 ( 2548 PWs) bands (ev): -49.5112 -49.5112 -23.9862 -23.9823 -23.2447 -23.2417 -16.5939 -16.5836 -16.4475 -16.4452 -7.4331 -7.4114 -6.5478 -6.5348 -6.0442 -5.9301 -5.5365 -5.4859 -4.7808 -4.7723 -4.5956 -4.5509 5.7071 5.7121 6.4837 6.5294 7.2873 7.3603 7.5408 7.5709 7.6937 7.7088 7.8609 7.8701 8.5776 8.5865 8.8087 8.8155 9.1699 9.1729 14.8565 14.8615 16.3853 16.4001 16.6495 16.6896 16.9236 16.9330 k = 0.0000 0.1795 0.4921 ( 2542 PWs) bands (ev): -49.5112 -49.5112 -23.9868 -23.9828 -23.2444 -23.2413 -16.5973 -16.5863 -16.4519 -16.4492 -7.4120 -7.3872 -6.5376 -6.5209 -6.0591 -5.9448 -5.5268 -5.4774 -4.7714 -4.7611 -4.5991 -4.5514 5.7058 5.7113 6.4113 6.4542 7.2601 7.3366 7.5127 7.5396 7.6686 7.6843 7.8783 7.8866 8.5237 8.5258 8.8761 8.8780 9.1510 9.1540 14.9392 14.9452 16.3896 16.4044 16.6472 16.6895 16.9442 16.9541 k = 0.0000 0.1923 0.4921 ( 2542 PWs) bands (ev): -49.5111 -49.5111 -23.9876 -23.9834 -23.2441 -23.2408 -16.6011 -16.5894 -16.4563 -16.4532 -7.3904 -7.3623 -6.5277 -6.5065 -6.0730 -5.9594 -5.5169 -5.4689 -4.7620 -4.7498 -4.6022 -4.5517 5.7044 5.7104 6.3406 6.3809 7.2256 7.3069 7.4826 7.5055 7.6427 7.6590 7.8963 7.9042 8.4697 8.4717 8.9406 8.9411 9.1339 9.1368 15.0249 15.0319 16.3975 16.4119 16.6454 16.6901 16.9600 16.9701 k = 0.0000 0.2051 0.4921 ( 2542 PWs) bands (ev): -49.5111 -49.5111 -23.9884 -23.9841 -23.2437 -23.2404 -16.6052 -16.5929 -16.4605 -16.4571 -7.3685 -7.3369 -6.5183 -6.4918 -6.0854 -5.9738 -5.5067 -5.4604 -4.7526 -4.7385 -4.6048 -4.5517 5.7028 5.7093 6.2716 6.3097 7.1820 7.2683 7.4522 7.4706 7.6165 7.6332 7.9148 7.9226 8.4198 8.4247 8.9997 9.0014 9.1201 9.1227 15.1130 15.1212 16.4088 16.4226 16.6444 16.6914 16.9696 16.9794 k = 0.0000 0.2179 0.4921 ( 2542 PWs) bands (ev): -49.5110 -49.5110 -23.9891 -23.9848 -23.2434 -23.2400 -16.6095 -16.5968 -16.4645 -16.4608 -7.3465 -7.3111 -6.5096 -6.4769 -6.0963 -5.9881 -5.4964 -5.4519 -4.7433 -4.7273 -4.6068 -4.5514 5.7010 5.7082 6.2047 6.2406 7.1281 7.2182 7.4231 7.4378 7.5904 7.6073 7.9337 7.9416 8.3770 8.3836 9.0477 9.0489 9.1172 9.1184 15.2029 15.2125 16.4231 16.4360 16.6442 16.6934 16.9725 16.9813 k = 0.0000 0.2308 0.4921 ( 2542 PWs) bands (ev): -49.5110 -49.5110 -23.9899 -23.9855 -23.2430 -23.2396 -16.6141 -16.6010 -16.4684 -16.4643 -7.3245 -7.2853 -6.5018 -6.4621 -6.1056 -6.0021 -5.4857 -5.4433 -4.7342 -4.7164 -4.6080 -4.5507 5.6991 5.7068 6.1398 6.1738 7.0639 7.1557 7.3964 7.4089 7.5645 7.5815 7.9529 7.9612 8.3413 8.3487 9.0619 9.0633 9.1450 9.1471 15.2939 15.3051 16.4402 16.4520 16.6449 16.6965 16.9685 16.9761 k = 0.0000 0.2436 0.4921 ( 2542 PWs) bands (ev): -49.5109 -49.5109 -23.9906 -23.9862 -23.2426 -23.2392 -16.6189 -16.6055 -16.4719 -16.4677 -7.3026 -7.2596 -6.4951 -6.4474 -6.1132 -6.0157 -5.4748 -5.4345 -4.7253 -4.7059 -4.6083 -4.5495 5.6970 5.7053 6.0772 6.1094 6.9903 7.0820 7.3723 7.3841 7.5390 7.5560 7.9723 7.9811 8.3122 8.3198 9.0538 9.0561 9.1925 9.1959 15.3856 15.3985 16.4593 16.4700 16.6469 16.7007 16.9584 16.9645 k = 0.0000 0.2564 0.4921 ( 2542 PWs) bands (ev): -49.5109 -49.5109 -23.9914 -23.9870 -23.2422 -23.2388 -16.6239 -16.6104 -16.4752 -16.4708 -7.2810 -7.2341 -6.4894 -6.4330 -6.1191 -6.0291 -5.4635 -5.4256 -4.7166 -4.6961 -4.6075 -4.5479 5.6946 5.7034 6.0169 6.0476 6.9094 6.9996 7.3506 7.3627 7.5137 7.5309 7.9917 8.0011 8.2891 8.2961 9.0420 9.0444 9.2426 9.2464 15.4771 15.4920 16.4799 16.4894 16.6505 16.7062 16.9432 16.9479 k = 0.0000 0.2692 0.4921 ( 2546 PWs) bands (ev): -49.5109 -49.5108 -23.9922 -23.9878 -23.2418 -23.2384 -16.6290 -16.6155 -16.4782 -16.4737 -7.2597 -7.2091 -6.4849 -6.4190 -6.1234 -6.0421 -5.4519 -5.4164 -4.7083 -4.6870 -4.6055 -4.5458 5.6920 5.7013 5.9591 5.9884 6.8231 6.9112 7.3310 7.3438 7.4889 7.5062 8.0110 8.0212 8.2711 8.2771 9.0298 9.0322 9.2912 9.2952 15.5680 15.5852 16.5008 16.5098 16.6563 16.7132 16.9241 16.9276 k = 0.0000 0.2821 0.4921 ( 2558 PWs) bands (ev): -49.5108 -49.5108 -23.9930 -23.9887 -23.2414 -23.2381 -16.6343 -16.6209 -16.4810 -16.4764 -7.2390 -7.1849 -6.4814 -6.4057 -6.1263 -6.0549 -5.4400 -5.4071 -4.7002 -4.6788 -4.6022 -4.5433 5.6890 5.6987 5.9039 5.9320 6.7336 6.8192 7.3131 7.3266 7.4646 7.4821 8.0301 8.0412 8.2574 8.2619 9.0179 9.0204 9.3373 9.3414 15.6575 15.6772 16.5207 16.5302 16.6652 16.7221 16.9023 16.9051 k = 0.0000 0.2949 0.4921 ( 2558 PWs) bands (ev): -49.5108 -49.5108 -23.9937 -23.9895 -23.2410 -23.2377 -16.6396 -16.6264 -16.4834 -16.4788 -7.2189 -7.1615 -6.4786 -6.3930 -6.1281 -6.0673 -5.4278 -5.3976 -4.6923 -4.6715 -4.5977 -4.5404 5.6855 5.6954 5.8514 5.8786 6.6426 6.7256 7.2965 7.3108 7.4409 7.4586 8.0488 8.0609 8.2471 8.2499 9.0067 9.0091 9.3808 9.3849 15.7450 15.7675 16.5384 16.5500 16.6779 16.7327 16.8790 16.8816 k = 0.0000 0.3077 0.4921 ( 2556 PWs) bands (ev): -49.5107 -49.5107 -23.9943 -23.9902 -23.2406 -23.2374 -16.6447 -16.6319 -16.4855 -16.4810 -7.1994 -7.1392 -6.4764 -6.3810 -6.1289 -6.0795 -5.4154 -5.3879 -4.6846 -4.6649 -4.5921 -4.5372 5.6816 5.6911 5.8016 5.8285 6.5520 6.6321 7.2811 7.2961 7.4179 7.4357 8.0669 8.0802 8.2398 8.2406 8.9962 8.9985 9.4214 9.4254 15.8299 15.8556 16.5529 16.5684 16.6947 16.7447 16.8552 16.8589 k = 0.0000 0.3205 0.4921 ( 2558 PWs) bands (ev): -49.5107 -49.5107 -23.9950 -23.9910 -23.2401 -23.2371 -16.6499 -16.6375 -16.4873 -16.4830 -7.1806 -7.1182 -6.4745 -6.3699 -6.1292 -6.0915 -5.4029 -5.3781 -4.6771 -4.6590 -4.5855 -4.5337 5.6771 5.6852 5.7547 5.7823 6.4630 6.5404 7.2668 7.2824 7.3957 7.4137 8.0844 8.0991 8.2334 8.2348 8.9864 8.9887 9.4591 9.4630 15.9115 15.9406 16.5638 16.5849 16.7151 16.7560 16.8320 16.8394 k = 0.0000 0.3333 0.4921 ( 2554 PWs) bands (ev): -49.5107 -49.5107 -23.9955 -23.9917 -23.2397 -23.2368 -16.6549 -16.6430 -16.4889 -16.4848 -7.1627 -7.0987 -6.4725 -6.3597 -6.1292 -6.1032 -5.3905 -5.3683 -4.6698 -4.6534 -4.5784 -4.5301 5.6717 5.6760 5.7106 5.7415 6.3772 6.4516 7.2535 7.2696 7.3745 7.3925 8.1011 8.1172 8.2279 8.2318 8.9774 8.9797 9.4939 9.4976 15.9893 16.0222 16.5715 16.5994 16.7366 16.7611 16.8114 16.8292 k = 0.0000 0.3462 0.4921 ( 2558 PWs) bands (ev): -49.5106 -49.5106 -23.9961 -23.9925 -23.2393 -23.2365 -16.6597 -16.6484 -16.4904 -16.4864 -7.1456 -7.0808 -6.4701 -6.3504 -6.1292 -6.1147 -5.3782 -5.3586 -4.6625 -4.6481 -4.5710 -4.5264 5.6594 5.6655 5.6694 5.7100 6.2958 6.3669 7.2412 7.2576 7.3543 7.3724 8.1168 8.1346 8.2238 8.2304 8.9692 8.9714 9.5259 9.5293 16.0626 16.0996 16.5769 16.6119 16.7508 16.7535 16.8009 16.8345 k = 0.0000 0.3590 0.4921 ( 2554 PWs) bands (ev): -49.5106 -49.5106 -23.9966 -23.9931 -23.2389 -23.2363 -16.6642 -16.6537 -16.4916 -16.4879 -7.1293 -7.0647 -6.4670 -6.3422 -6.1295 -6.1258 -5.3662 -5.3491 -4.6554 -4.6428 -4.5634 -4.5228 5.6313 5.6327 5.6582 5.6904 6.2199 6.2876 7.2298 7.2465 7.3352 7.3533 8.1314 8.1511 8.2208 8.2302 8.9618 8.9638 9.5550 9.5582 16.1310 16.1724 16.5806 16.6228 16.7374 16.7448 16.8129 16.8505 k = 0.0000 0.3718 0.4921 ( 2554 PWs) bands (ev): -49.5105 -49.5105 -23.9970 -23.9938 -23.2385 -23.2361 -16.6685 -16.6587 -16.4926 -16.4892 -7.1139 -7.0505 -6.4631 -6.3352 -6.1364 -6.1302 -5.3547 -5.3399 -4.6485 -4.6377 -4.5560 -4.5193 5.5962 5.6014 5.6496 5.6768 6.1507 6.2144 7.2195 7.2362 7.3175 7.3353 8.1446 8.1666 8.2185 8.2312 8.9551 8.9570 9.5813 9.5842 16.1939 16.2399 16.5832 16.6323 16.7191 16.7284 16.8364 16.8706 k = 0.0000 0.3846 0.4921 ( 2554 PWs) bands (ev): -49.5105 -49.5105 -23.9974 -23.9945 -23.2381 -23.2359 -16.6725 -16.6635 -16.4934 -16.4903 -7.0995 -7.0382 -6.4581 -6.3295 -6.1462 -6.1314 -5.3439 -5.3312 -4.6417 -4.6325 -4.5488 -4.5160 5.5641 5.5703 5.6396 5.6641 6.0891 6.1484 7.2102 7.2267 7.3012 7.3187 8.1565 8.1810 8.2169 8.2330 8.9492 8.9509 9.6048 9.6075 16.2510 16.3016 16.5851 16.6407 16.7010 16.7109 16.8621 16.8919 k = 0.0000 0.3974 0.4921 ( 2546 PWs) bands (ev): -49.5105 -49.5105 -23.9977 -23.9950 -23.2378 -23.2357 -16.6760 -16.6679 -16.4941 -16.4913 -7.0859 -7.0280 -6.4519 -6.3255 -6.1551 -6.1333 -5.3337 -5.3231 -4.6352 -4.6275 -4.5419 -4.5130 5.5352 5.5414 5.6282 5.6504 6.0360 6.0901 7.2020 7.2181 7.2864 7.3033 8.1669 8.1943 8.2157 8.2356 8.9439 8.9456 9.6257 9.6281 16.3020 16.3568 16.5869 16.6482 16.6842 16.6944 16.8872 16.9128 k = 0.0000 0.4103 0.4921 ( 2550 PWs) bands (ev): -49.5104 -49.5104 -23.9980 -23.9956 -23.2374 -23.2356 -16.6792 -16.6720 -16.4947 -16.4922 -7.0733 -7.0198 -6.4445 -6.3233 -6.1627 -6.1358 -5.3245 -5.3157 -4.6291 -4.6227 -4.5355 -4.5104 5.5095 5.5151 5.6155 5.6352 5.9919 6.0399 7.1949 7.2103 7.2733 7.2893 8.1759 8.2062 8.2148 8.2387 8.9394 8.9408 9.6440 9.6461 16.3468 16.4049 16.5892 16.6547 16.6693 16.6795 16.9107 16.9324 k = 0.0000 0.4231 0.4921 ( 2548 PWs) bands (ev): -49.5104 -49.5104 -23.9982 -23.9962 -23.2371 -23.2355 -16.6819 -16.6757 -16.4952 -16.4930 -7.0617 -7.0137 -6.4360 -6.3234 -6.1685 -6.1389 -5.3163 -5.3091 -4.6234 -4.6182 -4.5296 -4.5083 5.4869 5.4917 5.6019 5.6187 5.9566 5.9980 7.1890 7.2033 7.2620 7.2768 8.1834 8.2137 8.2172 8.2421 8.9355 8.9368 9.6598 9.6616 16.3854 16.4448 16.5928 16.6543 16.6624 16.6666 16.9320 16.9501 k = 0.0000 0.4359 0.4921 ( 2548 PWs) bands (ev): -49.5104 -49.5104 -23.9984 -23.9966 -23.2368 -23.2355 -16.6842 -16.6790 -16.4955 -16.4937 -7.0511 -7.0094 -6.4263 -6.3258 -6.1724 -6.1427 -5.3091 -5.3034 -4.6183 -4.6141 -4.5243 -4.5066 5.4676 5.4716 5.5881 5.6018 5.9297 5.9640 7.1842 7.1970 7.2525 7.2658 8.1896 8.2131 8.2264 8.2453 8.9322 8.9333 9.6730 9.6745 16.4178 16.4753 16.5990 16.6440 16.6557 16.6666 16.9508 16.9656 k = 0.0000 0.4487 0.4921 ( 2548 PWs) bands (ev): -49.5104 -49.5104 -23.9985 -23.9971 -23.2365 -23.2355 -16.6860 -16.6818 -16.4957 -16.4943 -7.0414 -7.0071 -6.4157 -6.3307 -6.1742 -6.1469 -5.3031 -5.2987 -4.6139 -4.6106 -4.5196 -4.5055 5.4516 5.4547 5.5751 5.5856 5.9102 5.9372 7.1806 7.1916 7.2451 7.2564 8.1947 8.2124 8.2342 8.2483 8.9296 8.9305 9.6838 9.6850 16.4444 16.4954 16.6082 16.6353 16.6473 16.6700 16.9668 16.9783 k = 0.0000 0.4615 0.4921 ( 2550 PWs) bands (ev): -49.5104 -49.5104 -23.9985 -23.9975 -23.2363 -23.2355 -16.6873 -16.6841 -16.4959 -16.4948 -7.0328 -7.0064 -6.4044 -6.3378 -6.1741 -6.1515 -5.2983 -5.2951 -4.6102 -4.6079 -4.5155 -4.5050 5.4391 5.4414 5.5638 5.5714 5.8970 5.9169 7.1782 7.1869 7.2396 7.2486 8.1988 8.2114 8.2407 8.2506 8.9277 8.9283 9.6921 9.6931 16.4657 16.5061 16.6187 16.6289 16.6424 16.6718 16.9796 16.9882 k = 0.0000 0.4744 0.4921 ( 2550 PWs) bands (ev): -49.5104 -49.5104 -23.9985 -23.9978 -23.2361 -23.2355 -16.6881 -16.6860 -16.4959 -16.4952 -7.0253 -7.0074 -6.3925 -6.3468 -6.1724 -6.1562 -5.2947 -5.2926 -4.6074 -4.6059 -4.5120 -4.5051 5.4301 5.4316 5.5553 5.5602 5.8891 5.9022 7.1770 7.1830 7.2363 7.2424 8.2022 8.2103 8.2457 8.2520 8.9263 8.9267 9.6981 9.6988 16.4822 16.5097 16.6243 16.6248 16.6448 16.6713 16.9893 16.9950 k = 0.0000 0.4872 0.4921 ( 2544 PWs) bands (ev): -49.5103 -49.5103 -23.9984 -23.9980 -23.2359 -23.2356 -16.6883 -16.6872 -16.4959 -16.4955 -7.0189 -7.0099 -6.3805 -6.3572 -6.1693 -6.1609 -5.2923 -5.2913 -4.6056 -4.6048 -4.5093 -4.5058 5.4248 5.4255 5.5503 5.5527 5.8860 5.8925 7.1769 7.1800 7.2349 7.2381 8.2049 8.2089 8.2493 8.2524 8.9255 8.9257 9.7018 9.7021 16.4945 16.5083 16.6228 16.6238 16.6536 16.6681 16.9957 16.9985 k = 0.0000 0.5000 0.4921 ( 2548 PWs) bands (ev): -49.5104 -49.5104 -23.9983 -23.9983 -23.2357 -23.2357 -16.6881 -16.6881 -16.4957 -16.4957 -7.0138 -7.0138 -6.3686 -6.3686 -6.1654 -6.1654 -5.2912 -5.2912 -4.6047 -4.6047 -4.5072 -4.5072 5.4233 5.4233 5.5494 5.5494 5.8871 5.8871 7.1779 7.1779 7.2356 7.2356 8.2071 8.2071 8.2515 8.2515 8.9253 8.9253 9.7031 9.7031 16.5032 16.5032 16.6227 16.6227 16.6621 16.6621 16.9988 16.9988 k = 0.0000 0.5000 0.4921 ( 2548 PWs) bands (ev): -49.5104 -49.5104 -23.9983 -23.9983 -23.2357 -23.2357 -16.6881 -16.6881 -16.4957 -16.4957 -7.0138 -7.0138 -6.3686 -6.3686 -6.1654 -6.1654 -5.2912 -5.2912 -4.6047 -4.6047 -4.5072 -4.5072 5.4233 5.4233 5.5494 5.5494 5.8871 5.8871 7.1779 7.1779 7.2356 7.2356 8.2071 8.2071 8.2515 8.2515 8.9253 8.9253 9.7031 9.7031 16.5032 16.5032 16.6227 16.6227 16.6621 16.6621 16.9988 16.9988 k = 0.0128 0.5000 0.4921 ( 2544 PWs) bands (ev): -49.5103 -49.5103 -23.9983 -23.9982 -23.2357 -23.2357 -16.6881 -16.6879 -16.4966 -16.4954 -7.0158 -7.0088 -6.3752 -6.3612 -6.1720 -6.1577 -5.3033 -5.2796 -4.6158 -4.5948 -4.5083 -4.5072 5.4232 5.4234 5.5503 5.5508 5.8870 5.8873 7.1737 7.1742 7.2295 7.2330 8.2104 8.2125 8.2555 8.2576 8.9181 8.9212 9.7032 9.7032 16.4934 16.5121 16.6142 16.6233 16.6650 16.6677 16.9996 17.0009 k = 0.0256 0.5000 0.4921 ( 2540 PWs) bands (ev): -49.5103 -49.5103 -23.9985 -23.9982 -23.2357 -23.2357 -16.6881 -16.6878 -16.4982 -16.4958 -7.0148 -7.0009 -6.3811 -6.3529 -6.1775 -6.1489 -5.3159 -5.2685 -4.6279 -4.5861 -4.5106 -4.5083 5.4233 5.4237 5.5535 5.5545 5.8871 5.8876 7.1619 7.1628 7.2153 7.2220 8.2222 8.2264 8.2691 8.2735 8.8995 8.9055 9.7033 9.7033 16.4826 16.5202 16.6008 16.6197 16.6738 16.6785 17.0034 17.0059 k = 0.0385 0.5000 0.4921 ( 2536 PWs) bands (ev): -49.5103 -49.5103 -23.9987 -23.9982 -23.2356 -23.2356 -16.6881 -16.6876 -16.5004 -16.4969 -7.0110 -6.9901 -6.3862 -6.3439 -6.1820 -6.1389 -5.3290 -5.2580 -4.6411 -4.5786 -4.5138 -4.5105 5.4234 5.4241 5.5590 5.5605 5.8872 5.8879 7.1430 7.1443 7.1936 7.2033 8.2418 8.2481 8.2916 8.2982 8.8701 8.8786 9.7036 9.7036 16.4707 16.5271 16.5860 16.6157 16.6850 16.6908 17.0099 17.0138 k = 0.0513 0.5000 0.4921 ( 2540 PWs) bands (ev): -49.5103 -49.5103 -23.9990 -23.9984 -23.2354 -23.2354 -16.6882 -16.6874 -16.5033 -16.4986 -7.0043 -6.9765 -6.3906 -6.3340 -6.1855 -6.1277 -5.3424 -5.2481 -4.6553 -4.5723 -4.5181 -4.5139 5.4237 5.4246 5.5668 5.5688 5.8874 5.8884 7.1181 7.1196 7.1656 7.1777 8.2683 8.2769 8.3217 8.3308 8.8305 8.8407 9.7039 9.7039 16.4578 16.5307 16.5731 16.6128 16.6974 16.7031 17.0191 17.0247 k = 0.0641 0.5000 0.4921 ( 2540 PWs) bands (ev): -49.5103 -49.5103 -23.9994 -23.9986 -23.2353 -23.2353 -16.6881 -16.6872 -16.5068 -16.5010 -6.9948 -6.9601 -6.3943 -6.3231 -6.1881 -6.1152 -5.3562 -5.2388 -4.6706 -4.5674 -4.5233 -4.5184 5.4240 5.4251 5.5768 5.5793 5.8877 5.8890 7.0882 7.0896 7.1324 7.1465 8.3001 8.3117 8.3579 8.3697 8.7819 8.7924 9.7044 9.7044 16.4440 16.5264 16.5675 16.6113 16.7104 16.7149 17.0310 17.0384 k = 0.0769 0.5000 0.4921 ( 2536 PWs) bands (ev): -49.5103 -49.5103 -23.9997 -23.9989 -23.2351 -23.2351 -16.6880 -16.6869 -16.5109 -16.5040 -6.9826 -6.9411 -6.3974 -6.3114 -6.1897 -6.1014 -5.3703 -5.2300 -4.6867 -4.5640 -4.5293 -4.5240 5.4245 5.4258 5.5890 5.5919 5.8881 5.8896 7.0542 7.0554 7.0952 7.1108 8.3349 8.3512 8.3987 8.4139 8.7265 8.7345 9.7050 9.7050 16.4292 16.5130 16.5706 16.6114 16.7234 16.7260 17.0453 17.0549 k = 0.0897 0.5000 0.4921 ( 2544 PWs) bands (ev): -49.5103 -49.5103 -24.0003 -23.9993 -23.2348 -23.2348 -16.6879 -16.6866 -16.5157 -16.5078 -6.9678 -6.9195 -6.3998 -6.2987 -6.1905 -6.0863 -5.3846 -5.2218 -4.7038 -4.5623 -4.5357 -4.5307 5.4250 5.4265 5.6032 5.6065 5.8886 5.8904 7.0170 7.0179 7.0550 7.0716 8.3685 8.3940 8.4422 8.4622 8.6682 8.6691 9.7056 9.7056 16.4136 16.4952 16.5777 16.6127 16.7363 16.7364 17.0619 17.0741 k = 0.1026 0.5000 0.4921 ( 2544 PWs) bands (ev): -49.5102 -49.5102 -24.0009 -23.9997 -23.2346 -23.2346 -16.6878 -16.6863 -16.5209 -16.5120 -6.9506 -6.8957 -6.4016 -6.2851 -6.1904 -6.0699 -5.3991 -5.2141 -4.7216 -4.5628 -4.5420 -4.5385 5.4255 5.4273 5.6195 5.6231 5.8892 5.8913 6.9776 6.9777 7.0126 7.0299 8.3890 8.4363 8.4862 8.5135 8.5974 8.6227 9.7064 9.7064 16.3973 16.4757 16.5862 16.6151 16.7461 16.7489 17.0807 17.0959 k = 0.1154 0.5000 0.4921 ( 2540 PWs) bands (ev): -49.5102 -49.5102 -24.0014 -24.0002 -23.2343 -23.2343 -16.6876 -16.6860 -16.5266 -16.5167 -6.9311 -6.8697 -6.4027 -6.2705 -6.1895 -6.0521 -5.4136 -5.2069 -4.7403 -4.5665 -4.5473 -4.5472 5.4261 5.4281 5.6376 5.6416 5.8899 5.8922 6.9356 6.9365 6.9690 6.9865 8.3720 8.4545 8.5291 8.5434 8.5694 8.6124 9.7072 9.7072 16.3805 16.4552 16.5952 16.6182 16.7551 16.7610 17.1014 17.1203 k = 0.1282 0.5000 0.4921 ( 2548 PWs) bands (ev): -49.5102 -49.5102 -24.0021 -24.0008 -23.2340 -23.2340 -16.6876 -16.6857 -16.5328 -16.5220 -6.9095 -6.8417 -6.4033 -6.2551 -6.1877 -6.0329 -5.4282 -5.2003 -4.7597 -4.5736 -4.5571 -4.5511 5.4267 5.4290 5.6576 5.6618 5.8907 5.8933 6.8920 6.8942 6.9246 6.9418 8.3103 8.3929 8.5670 8.5743 8.6243 8.6417 9.7081 9.7082 16.3630 16.4343 16.6041 16.6218 16.7634 16.7725 17.1238 17.1471 k = 0.1410 0.5000 0.4921 ( 2544 PWs) bands (ev): -49.5101 -49.5101 -24.0027 -24.0013 -23.2336 -23.2336 -16.6874 -16.6853 -16.5393 -16.5276 -6.8859 -6.8120 -6.4034 -6.2389 -6.1847 -6.0122 -5.4426 -5.1941 -4.7798 -4.5831 -4.5679 -4.5546 5.4273 5.4299 5.6791 5.6835 5.8916 5.8946 6.8472 6.8513 6.8801 6.8967 8.2237 8.3004 8.6161 8.6238 8.6812 8.6885 9.7091 9.7092 16.3451 16.4130 16.6125 16.6254 16.7708 16.7832 17.1476 17.1761 k = 0.1538 0.5000 0.4921 ( 2544 PWs) bands (ev): -49.5101 -49.5101 -24.0035 -24.0019 -23.2333 -23.2333 -16.6872 -16.6849 -16.5461 -16.5337 -6.8607 -6.7810 -6.4029 -6.2227 -6.1801 -5.9901 -5.4567 -5.1883 -4.8004 -4.5940 -4.5796 -4.5584 5.4278 5.4307 5.7021 5.7067 5.8927 5.8959 6.8016 6.8079 6.8360 6.8513 8.1247 8.1987 8.6699 8.6765 8.7391 8.7414 9.7102 9.7103 16.3267 16.3915 16.6200 16.6285 16.7774 16.7929 17.1725 17.2070 k = 0.1667 0.5000 0.4921 ( 2536 PWs) bands (ev): -49.5101 -49.5101 -24.0041 -24.0025 -23.2329 -23.2329 -16.6870 -16.6845 -16.5532 -16.5401 -6.8339 -6.7487 -6.4018 -6.2078 -6.1724 -5.9667 -5.4706 -5.1830 -4.8216 -4.6060 -4.5922 -4.5630 5.4283 5.4315 5.7264 5.7311 5.8940 5.8975 6.7554 6.7644 6.7924 6.8062 8.0182 8.0917 8.7255 8.7311 8.7969 8.7973 9.7113 9.7114 16.3079 16.3699 16.6261 16.6308 16.7830 16.8012 17.1980 17.2397 k = 0.1795 0.5000 0.4921 ( 2536 PWs) bands (ev): -49.5100 -49.5100 -24.0049 -24.0032 -23.2325 -23.2325 -16.6869 -16.6841 -16.5606 -16.5468 -6.8059 -6.7156 -6.4003 -6.1962 -6.1596 -5.9418 -5.4841 -5.1781 -4.8432 -4.6187 -4.6056 -4.5686 5.4287 5.4322 5.7518 5.7565 5.8956 5.8993 6.7089 6.7209 6.7497 6.7616 7.9068 7.9807 8.7818 8.7866 8.8535 8.8556 9.7125 9.7127 16.2889 16.3483 16.6303 16.6316 16.7874 16.8078 17.2239 17.2738 k = 0.1923 0.5000 0.4921 ( 2540 PWs) bands (ev): -49.5100 -49.5100 -24.0057 -24.0039 -23.2320 -23.2320 -16.6868 -16.6838 -16.5683 -16.5539 -6.7768 -6.6820 -6.3982 -6.1884 -6.1414 -5.9156 -5.4969 -5.1736 -4.8652 -4.6320 -4.6198 -4.5750 5.4290 5.4328 5.7779 5.7825 5.8975 5.9016 6.6623 6.6775 6.7080 6.7178 7.7923 7.8670 8.8383 8.8426 8.9104 8.9136 9.7137 9.7139 16.2697 16.3269 16.6304 16.6322 16.7905 16.8124 17.2497 17.3088 k = 0.2051 0.5000 0.4921 ( 2536 PWs) bands (ev): -49.5099 -49.5099 -24.0065 -24.0047 -23.2316 -23.2316 -16.6867 -16.6834 -16.5760 -16.5610 -6.7469 -6.6483 -6.3957 -6.1829 -6.1192 -5.8880 -5.5092 -5.1694 -4.8875 -4.6458 -4.6346 -4.5824 5.4291 5.4332 5.8043 5.8087 5.9002 5.9045 6.6157 6.6343 6.6675 6.6751 7.6758 7.7517 8.8947 8.8985 8.9670 8.9711 9.7150 9.7153 16.2505 16.3057 16.6267 16.6311 16.7922 16.8146 17.2751 17.3443 k = 0.2179 0.5000 0.4921 ( 2532 PWs) bands (ev): -49.5099 -49.5099 -24.0073 -24.0054 -23.2311 -23.2311 -16.6866 -16.6830 -16.5837 -16.5683 -6.7164 -6.6146 -6.3927 -6.1783 -6.0945 -5.8592 -5.5206 -5.1656 -4.9098 -4.6600 -4.6501 -4.5907 5.4289 5.4334 5.8301 5.8342 5.9043 5.9087 6.5693 6.5912 6.6282 6.6337 7.5587 7.6358 8.9506 8.9540 9.0232 9.0278 9.7164 9.7167 16.2314 16.2851 16.6199 16.6267 16.7921 16.8140 17.2999 17.3796 k = 0.2308 0.5000 0.4921 ( 2532 PWs) bands (ev): -49.5098 -49.5098 -24.0081 -24.0062 -23.2307 -23.2307 -16.6866 -16.6827 -16.5915 -16.5758 -6.6855 -6.5814 -6.3891 -6.1744 -6.0676 -5.8294 -5.5312 -5.1623 -4.9322 -4.6744 -4.6660 -4.5999 5.4285 5.4334 5.8537 5.8570 5.9116 5.9157 6.5230 6.5481 6.5902 6.5937 7.4419 7.5202 9.0058 9.0088 9.0785 9.0834 9.7177 9.7181 16.2127 16.2650 16.6097 16.6184 16.7900 16.8103 17.3240 17.4142 k = 0.2436 0.5000 0.4921 ( 2532 PWs) bands (ev): -49.5098 -49.5098 -24.0089 -24.0070 -23.2302 -23.2302 -16.6866 -16.6825 -16.5993 -16.5832 -6.6546 -6.5490 -6.3851 -6.1708 -6.0390 -5.7985 -5.5407 -5.1595 -4.9543 -4.6890 -4.6823 -4.6099 5.4278 5.4330 5.8722 5.8736 5.9253 5.9283 6.4768 6.5051 6.5537 6.5553 7.3266 7.4060 9.0599 9.0627 9.1327 9.1378 9.7191 9.7195 16.1946 16.2457 16.5958 16.6062 16.7855 16.8032 17.3474 17.4473 k = 0.2564 0.5000 0.4921 ( 2528 PWs) bands (ev): -49.5097 -49.5097 -24.0097 -24.0078 -23.2298 -23.2298 -16.6867 -16.6823 -16.6068 -16.5905 -6.6239 -6.5176 -6.3806 -6.1676 -6.0088 -5.7669 -5.5491 -5.1574 -4.9758 -4.7036 -4.6989 -4.6207 5.4266 5.4322 5.8830 5.8837 5.9464 5.9480 6.4308 6.4620 6.5185 6.5187 7.2138 7.2942 9.1129 9.1155 9.1855 9.1908 9.7205 9.7210 16.1771 16.2274 16.5784 16.5900 16.7784 16.7926 17.3702 17.4784 k = 0.2692 0.5000 0.4921 ( 2524 PWs) bands (ev): -49.5097 -49.5097 -24.0105 -24.0086 -23.2293 -23.2293 -16.6869 -16.6823 -16.6142 -16.5977 -6.5934 -6.4875 -6.3755 -6.1648 -5.9772 -5.7347 -5.5562 -5.1565 -4.9964 -4.7182 -4.7157 -4.6322 5.4249 5.4309 5.8879 5.8900 5.9716 5.9727 6.3847 6.4186 6.4834 6.4853 7.1048 7.1857 9.1644 9.1668 9.2368 9.2421 9.7219 9.7224 16.1607 16.2102 16.5577 16.5699 16.7682 16.7783 17.3927 17.5070 k = 0.2821 0.5000 0.4921 ( 2508 PWs) bands (ev): -49.5096 -49.5096 -24.0111 -24.0093 -23.2288 -23.2288 -16.6872 -16.6823 -16.6211 -16.6046 -6.5636 -6.4589 -6.3698 -6.1623 -5.9445 -5.7022 -5.5620 -5.1570 -5.0152 -4.7326 -4.7325 -4.6444 5.4226 5.4290 5.8908 5.8937 5.9985 5.9998 6.3386 6.3747 6.4501 6.4535 7.0007 7.0818 9.2144 9.2166 9.2864 9.2917 9.7232 9.7239 16.1453 16.1943 16.5340 16.5464 16.7547 16.7604 17.4149 17.5329 k = 0.2949 0.5000 0.4921 ( 2508 PWs) bands (ev): -49.5096 -49.5096 -24.0119 -24.0101 -23.2284 -23.2284 -16.6877 -16.6826 -16.6279 -16.6114 -6.5348 -6.4320 -6.3635 -6.1602 -5.9108 -5.6697 -5.5665 -5.1600 -5.0316 -4.7491 -4.7467 -4.6572 5.4195 5.4264 5.8926 5.8959 6.0257 6.0276 6.2922 6.3302 6.4184 6.4236 6.9025 6.9832 9.2625 9.2646 9.3341 9.3393 9.7246 9.7254 16.1313 16.1798 16.5078 16.5200 16.7378 16.7390 17.4369 17.5562 k = 0.3077 0.5000 0.4921 ( 2512 PWs) bands (ev): -49.5095 -49.5095 -24.0127 -24.0110 -23.2279 -23.2279 -16.6884 -16.6832 -16.6342 -16.6179 -6.5070 -6.4070 -6.3563 -6.1586 -5.8765 -5.6376 -5.5695 -5.1662 -5.0444 -4.7655 -4.7604 -4.6705 5.4156 5.4229 5.8937 5.8973 6.0524 6.0554 6.2457 6.2849 6.3886 6.3955 6.8116 6.8910 9.3086 9.3107 9.3797 9.3847 9.7259 9.7268 16.1188 16.1670 16.4798 16.4914 16.7143 16.7175 17.4588 17.5770 k = 0.3205 0.5000 0.4921 ( 2516 PWs) bands (ev): -49.5095 -49.5095 -24.0135 -24.0118 -23.2275 -23.2275 -16.6893 -16.6840 -16.6399 -16.6240 -6.4808 -6.3841 -6.3480 -6.1572 -5.8419 -5.6063 -5.5710 -5.1763 -5.0529 -4.7814 -4.7737 -4.6843 5.4107 5.4184 5.8942 5.8979 6.0782 6.0826 6.1993 6.2388 6.3606 6.3694 6.7288 6.8059 9.3527 9.3547 9.4231 9.4280 9.7272 9.7282 16.1080 16.1560 16.4506 16.4612 16.6866 16.6939 17.4805 17.5959 k = 0.3333 0.5000 0.4921 ( 2520 PWs) bands (ev): -49.5095 -49.5095 -24.0143 -24.0126 -23.2271 -23.2271 -16.6904 -16.6852 -16.6450 -16.6297 -6.4565 -6.3633 -6.3386 -6.1561 -5.8073 -5.5762 -5.5711 -5.1901 -5.0570 -4.7966 -4.7865 -4.6985 5.4047 5.4128 5.8939 5.8977 6.1019 6.1082 6.1539 6.1927 6.3344 6.3456 6.6549 6.7285 9.3944 9.3964 9.4641 9.4688 9.7285 9.7295 16.0991 16.1469 16.4209 16.4303 16.6564 16.6675 17.5018 17.6130 k = 0.3462 0.5000 0.4921 ( 2520 PWs) bands (ev): -49.5094 -49.5094 -24.0149 -24.0134 -23.2267 -23.2267 -16.6916 -16.6868 -16.6493 -16.6348 -6.4344 -6.3449 -6.3277 -6.1552 -5.7729 -5.5697 -5.5478 -5.2070 -5.0573 -4.8108 -4.7987 -4.7129 5.3973 5.4058 5.8925 5.8963 6.1036 6.1258 6.1299 6.1537 6.3101 6.3242 6.5902 6.6591 9.4337 9.4357 9.5027 9.5071 9.7297 9.7308 16.0921 16.1399 16.3912 16.3991 16.6241 16.6386 17.5225 17.6286 k = 0.3590 0.5000 0.4921 ( 2524 PWs) bands (ev): -49.5094 -49.5094 -24.0156 -24.0141 -23.2263 -23.2263 -16.6932 -16.6889 -16.6527 -16.6394 -6.4148 -6.3290 -6.3151 -6.1543 -5.7391 -5.5669 -5.5216 -5.2260 -5.0547 -4.8239 -4.8103 -4.7275 5.3885 5.3972 5.8895 5.8935 6.0635 6.0953 6.1477 6.1629 6.2879 6.3058 6.5344 6.5978 9.4704 9.4724 9.5386 9.5428 9.7308 9.7321 16.0872 16.1349 16.3620 16.3684 16.5902 16.6078 17.5426 17.6427 k = 0.3718 0.5000 0.4921 ( 2524 PWs) bands (ev): -49.5094 -49.5094 -24.0162 -24.0148 -23.2260 -23.2260 -16.6949 -16.6913 -16.6554 -16.6434 -6.3978 -6.3157 -6.3009 -6.1533 -5.7061 -5.5627 -5.4982 -5.2463 -5.0497 -4.8356 -4.8214 -4.7423 5.3783 5.3872 5.8839 5.8882 6.0258 6.0549 6.1642 6.1837 6.2681 6.2913 6.4870 6.5441 9.5044 9.5065 9.5718 9.5757 9.7318 9.7332 16.0845 16.1321 16.3340 16.3386 16.5554 16.5755 17.5619 17.6554 k = 0.3846 0.5000 0.4921 ( 2516 PWs) bands (ev): -49.5093 -49.5093 -24.0166 -24.0154 -23.2257 -23.2257 -16.6968 -16.6939 -16.6573 -16.6467 -6.3833 -6.3051 -6.2853 -6.1522 -5.6742 -5.5573 -5.4780 -5.2673 -5.0428 -4.8458 -4.8319 -4.7569 5.3666 5.3755 5.8741 5.8793 5.9947 6.0196 6.1762 6.2022 6.2517 6.2816 6.4471 6.4977 9.5356 9.5377 9.6022 9.6058 9.7328 9.7343 16.0840 16.1316 16.3076 16.3103 16.5200 16.5424 17.5801 17.6665 k = 0.3974 0.5000 0.4921 ( 2512 PWs) bands (ev): -49.5093 -49.5093 -24.0171 -24.0159 -23.2254 -23.2254 -16.6988 -16.6966 -16.6586 -16.6495 -6.3708 -6.2972 -6.2690 -6.1510 -5.6434 -5.5505 -5.4614 -5.2886 -5.0343 -4.8542 -4.8420 -4.7714 5.3536 5.3623 5.8593 5.8657 5.9725 5.9925 6.1823 6.2123 6.2441 6.2780 6.4139 6.4579 9.5639 9.5661 9.6296 9.6329 9.7337 9.7353 16.0857 16.1333 16.2832 16.2839 16.4848 16.5088 17.5972 17.6760 k = 0.4103 0.5000 0.4921 ( 2516 PWs) bands (ev): -49.5093 -49.5093 -24.0175 -24.0165 -23.2251 -23.2251 -16.7009 -16.6994 -16.6596 -16.6519 -6.3599 -6.2919 -6.2524 -6.1498 -5.6141 -5.5427 -5.4488 -5.3099 -5.0243 -4.8607 -4.8518 -4.7855 5.3398 5.3481 5.8405 5.8479 5.9586 5.9741 6.1825 6.2070 6.2518 6.2801 6.3865 6.4241 9.5891 9.5913 9.6539 9.6570 9.7345 9.7362 16.0896 16.1372 16.2597 16.2611 16.4501 16.4755 17.6131 17.6837 k = 0.4231 0.5000 0.4921 ( 2520 PWs) bands (ev): -49.5093 -49.5093 -24.0179 -24.0170 -23.2249 -23.2249 -16.7030 -16.7020 -16.6602 -16.6538 -6.3502 -6.2890 -6.2362 -6.1488 -5.5861 -5.5337 -5.4403 -5.3309 -5.0132 -4.8653 -4.8617 -4.7991 5.3256 5.3333 5.8207 5.8282 5.9508 5.9626 6.1790 6.1964 6.2646 6.2857 6.3644 6.3958 9.6112 9.6135 9.6752 9.6780 9.7353 9.7369 16.0956 16.1430 16.2382 16.2419 16.4165 16.4427 17.6277 17.6895 k = 0.4359 0.5000 0.4921 ( 2516 PWs) bands (ev): -49.5092 -49.5092 -24.0182 -24.0174 -23.2247 -23.2247 -16.7048 -16.7042 -16.6605 -16.6554 -6.3414 -6.2883 -6.2207 -6.1483 -5.5597 -5.5238 -5.4361 -5.3515 -5.0010 -4.8718 -4.8680 -4.8118 5.3118 5.3186 5.8023 5.8092 5.9467 5.9557 6.1738 6.1861 6.2765 6.2923 6.3473 6.3726 9.6301 9.6324 9.6931 9.6957 9.7360 9.7376 16.1036 16.1504 16.2198 16.2258 16.3847 16.4111 17.6409 17.6935 k = 0.4487 0.5000 0.4921 ( 2512 PWs) bands (ev): -49.5092 -49.5092 -24.0184 -24.0177 -23.2245 -23.2245 -16.7065 -16.7062 -16.6606 -16.6566 -6.3332 -6.2893 -6.2063 -6.1487 -5.5349 -5.5129 -5.4358 -5.3715 -4.9880 -4.8825 -4.8689 -4.8234 5.2992 5.3050 5.7868 5.7927 5.9445 5.9514 6.1686 6.1772 6.2861 6.2982 6.3350 6.3543 9.6458 9.6480 9.7077 9.7101 9.7369 9.7382 16.1130 16.1582 16.2052 16.2133 16.3554 16.3812 17.6528 17.6955 k = 0.4615 0.5000 0.4921 ( 2520 PWs) bands (ev): -49.5092 -49.5092 -24.0186 -24.0181 -23.2244 -23.2244 -16.7079 -16.7078 -16.6606 -16.6577 -6.3256 -6.2918 -6.1933 -6.1502 -5.5117 -5.5011 -5.4392 -5.3911 -4.9745 -4.8939 -4.8681 -4.8337 5.2886 5.2931 5.7749 5.7794 5.9436 5.9486 6.1642 6.1700 6.2926 6.3021 6.3276 6.3410 9.6582 9.6601 9.7187 9.7210 9.7381 9.7389 16.1232 16.1636 16.1967 16.2048 16.3298 16.3537 17.6633 17.6958 k = 0.4744 0.5000 0.4921 ( 2516 PWs) bands (ev): -49.5092 -49.5092 -24.0187 -24.0183 -23.2243 -23.2243 -16.7090 -16.7089 -16.6604 -16.6585 -6.3184 -6.2955 -6.1818 -6.1532 -5.4916 -5.4872 -5.4458 -5.4103 -4.9605 -4.9061 -4.8657 -4.8427 5.2807 5.2838 5.7667 5.7697 5.9434 5.9467 6.1610 6.1646 6.2958 6.3029 6.3249 6.3328 9.6673 9.6687 9.7259 9.7279 9.7397 9.7400 16.1334 16.1626 16.1966 16.2006 16.3097 16.3294 17.6724 17.6942 k = 0.4872 0.5000 0.4921 ( 2520 PWs) bands (ev): -49.5092 -49.5092 -24.0187 -24.0186 -23.2242 -23.2242 -16.7096 -16.7096 -16.6601 -16.6592 -6.3118 -6.3002 -6.1721 -6.1577 -5.4780 -5.4679 -5.4549 -5.4292 -4.9465 -4.9190 -4.8619 -4.8504 5.2761 5.2776 5.7620 5.7636 5.9437 5.9453 6.1593 6.1610 6.2973 6.3012 6.3253 6.3288 9.6729 9.6737 9.7297 9.7309 9.7415 9.7415 16.1425 16.1571 16.2002 16.2003 16.2983 16.3101 17.6801 17.6911 k = 0.5000 0.5000 0.4921 ( 2520 PWs) bands (ev): -49.5092 -49.5092 -24.0187 -24.0187 -23.2242 -23.2242 -16.7099 -16.7099 -16.6597 -16.6597 -6.3057 -6.3057 -6.1640 -6.1640 -5.4659 -5.4659 -5.4483 -5.4483 -4.9326 -4.9326 -4.8568 -4.8568 5.2750 5.2750 5.7610 5.7610 5.9443 5.9443 6.1593 6.1593 6.2989 6.2989 6.3267 6.3267 9.6751 9.6751 9.7312 9.7312 9.7423 9.7423 16.1503 16.1503 16.2014 16.2014 16.2986 16.2986 17.6863 17.6863 k = 0.5000 0.5000 0.4921 ( 2520 PWs) bands (ev): -49.5092 -49.5092 -24.0187 -24.0187 -23.2242 -23.2242 -16.7099 -16.7099 -16.6597 -16.6597 -6.3057 -6.3057 -6.1640 -6.1640 -5.4659 -5.4659 -5.4483 -5.4483 -4.9326 -4.9326 -4.8568 -4.8568 5.2750 5.2750 5.7610 5.7610 5.9443 5.9443 6.1593 6.1593 6.2989 6.2989 6.3267 6.3267 9.6751 9.6751 9.7312 9.7312 9.7423 9.7423 16.1503 16.1503 16.2014 16.2014 16.2986 16.2986 17.6863 17.6863 k = 0.4909 0.4909 0.4921 ( 2520 PWs) bands (ev): -49.5092 -49.5092 -24.0187 -24.0186 -23.2242 -23.2242 -16.7096 -16.7096 -16.6601 -16.6592 -6.3118 -6.3002 -6.1721 -6.1577 -5.4778 -5.4687 -5.4540 -5.4295 -4.9465 -4.9191 -4.8618 -4.8505 5.2761 5.2777 5.7620 5.7636 5.9437 5.9453 6.1593 6.1610 6.2973 6.3013 6.3253 6.3286 9.6729 9.6737 9.7298 9.7310 9.7414 9.7414 16.1425 16.1571 16.1992 16.2014 16.2982 16.3101 17.6801 17.6911 k = 0.4818 0.4818 0.4921 ( 2516 PWs) bands (ev): -49.5092 -49.5092 -24.0187 -24.0183 -23.2243 -23.2243 -16.7089 -16.7089 -16.6604 -16.6585 -6.3186 -6.2953 -6.1818 -6.1533 -5.4901 -5.4900 -5.4429 -5.4119 -4.9602 -4.9073 -4.8642 -4.8434 5.2809 5.2840 5.7666 5.7697 5.9433 5.9466 6.1611 6.1645 6.2966 6.3042 6.3247 6.3309 9.6672 9.6687 9.7265 9.7287 9.7391 9.7392 16.1330 16.1624 16.1951 16.2030 16.3093 16.3295 17.6724 17.6941 k = 0.4727 0.4727 0.4921 ( 2516 PWs) bands (ev): -49.5092 -49.5092 -24.0186 -24.0181 -23.2244 -23.2244 -16.7078 -16.7078 -16.6605 -16.6578 -6.3262 -6.2909 -6.1932 -6.1507 -5.5125 -5.5027 -5.4322 -5.3957 -4.9733 -4.8996 -4.8618 -4.8356 5.2893 5.2938 5.7747 5.7793 5.9433 5.9483 6.1647 6.1699 6.2967 6.3068 6.3257 6.3339 9.6581 9.6601 9.7211 9.7240 9.7355 9.7359 16.1222 16.1619 16.1966 16.2092 16.3283 16.3536 17.6635 17.6954 k = 0.4636 0.4636 0.4921 ( 2516 PWs) bands (ev): -49.5092 -49.5092 -24.0184 -24.0178 -23.2245 -23.2245 -16.7063 -16.7062 -16.6606 -16.6569 -6.3345 -6.2872 -6.2062 -6.1500 -5.5362 -5.5154 -5.4221 -5.3812 -4.9855 -4.8974 -4.8530 -4.8274 5.3012 5.3071 5.7862 5.7924 5.9435 5.9503 6.1700 6.1770 6.2976 6.3084 6.3293 6.3376 9.6456 9.6480 9.7133 9.7165 9.7311 9.7319 16.1108 16.1543 16.2076 16.2203 16.3521 16.3806 17.6534 17.6945 k = 0.4545 0.4545 0.4921 ( 2516 PWs) bands (ev): -49.5092 -49.5092 -24.0182 -24.0174 -23.2247 -23.2247 -16.7042 -16.7042 -16.6605 -16.6559 -6.3436 -6.2839 -6.2207 -6.1510 -5.5610 -5.5284 -5.4126 -5.3686 -4.9965 -4.8987 -4.8400 -4.8189 5.3164 5.3236 5.8011 5.8087 5.9439 5.9526 6.1772 6.1861 6.2994 6.3088 6.3360 6.3425 9.6300 9.6325 9.7030 9.7064 9.7259 9.7271 16.0999 16.1447 16.2248 16.2361 16.3785 16.4093 17.6422 17.6914 k = 0.4455 0.4455 0.4921 ( 2512 PWs) bands (ev): -49.5092 -49.5092 -24.0178 -24.0169 -23.2249 -23.2249 -16.7018 -16.7017 -16.6602 -16.6547 -6.3536 -6.2811 -6.2365 -6.1539 -5.5868 -5.5415 -5.4040 -5.3581 -5.0057 -4.9012 -4.8250 -4.8100 5.3346 5.3430 5.8191 5.8283 5.9445 5.9553 6.1862 6.1970 6.3023 6.3088 6.3453 6.3488 9.6113 9.6139 9.6903 9.6939 9.7199 9.7214 16.0901 16.1355 16.2464 16.2562 16.4062 16.4389 17.6299 17.6860 k = 0.4364 0.4364 0.4921 ( 2518 PWs) bands (ev): -49.5093 -49.5093 -24.0175 -24.0164 -23.2252 -23.2251 -16.6990 -16.6989 -16.6598 -16.6535 -6.3647 -6.2789 -6.2537 -6.1584 -5.6138 -5.5547 -5.3961 -5.3501 -5.0128 -4.9037 -4.8091 -4.8009 5.3556 5.3649 5.8401 5.8507 5.9454 5.9582 6.1971 6.2099 6.3064 6.3092 6.3567 6.3570 9.5895 9.5921 9.6753 9.6792 9.7129 9.7146 16.0815 16.1275 16.2718 16.2803 16.4344 16.4688 17.6166 17.6780 k = 0.4273 0.4273 0.4921 ( 2520 PWs) bands (ev): -49.5093 -49.5093 -24.0172 -24.0159 -23.2254 -23.2253 -16.6958 -16.6957 -16.6593 -16.6522 -6.3767 -6.2777 -6.2715 -6.1644 -5.6417 -5.5681 -5.3892 -5.3449 -5.0174 -4.9060 -4.7927 -4.7917 5.3789 5.3889 5.8639 5.8755 5.9468 5.9613 6.2100 6.2249 6.3105 6.3122 6.3664 6.3709 9.5650 9.5676 9.6582 9.6624 9.7050 9.7067 16.0743 16.1210 16.3007 16.3082 16.4621 16.4983 17.6025 17.6676 k = 0.4182 0.4182 0.4921 ( 2524 PWs) bands (ev): -49.5093 -49.5093 -24.0167 -24.0153 -23.2258 -23.2256 -16.6923 -16.6921 -16.6586 -16.6508 -6.3899 -6.2925 -6.2749 -6.1719 -5.6704 -5.5817 -5.3833 -5.3428 -5.0191 -4.9077 -4.7823 -4.7761 5.4040 5.4146 5.8903 5.9016 5.9493 5.9645 6.2251 6.2422 6.3134 6.3199 6.3784 6.3872 9.5378 9.5403 9.6391 9.6437 9.6960 9.6978 16.0685 16.1159 16.3327 16.3395 16.4889 16.5269 17.5876 17.6546 k = 0.4091 0.4091 0.4921 ( 2524 PWs) bands (ev): -49.5094 -49.5094 -24.0162 -24.0146 -23.2261 -23.2259 -16.6883 -16.6880 -16.6577 -16.6492 -6.4044 -6.3133 -6.2738 -6.1805 -5.7000 -5.5955 -5.3783 -5.3436 -5.0178 -4.9088 -4.7730 -4.7593 5.4306 5.4415 5.9188 5.9245 5.9569 5.9676 6.2426 6.2618 6.3184 6.3302 6.3927 6.4060 9.5082 9.5105 9.6183 9.6231 9.6859 9.6876 16.0638 16.1123 16.3678 16.3741 16.5142 16.5542 17.5721 17.6392 k = 0.4000 0.4000 0.4921 ( 2528 PWs) bands (ev): -49.5094 -49.5094 -24.0157 -24.0139 -23.2265 -23.2263 -16.6840 -16.6836 -16.6567 -16.6475 -6.4203 -6.3355 -6.2729 -6.1902 -5.7302 -5.6095 -5.3745 -5.3474 -5.0135 -4.9092 -4.7636 -4.7425 5.4579 5.4689 5.9353 5.9491 5.9704 5.9783 6.2627 6.2840 6.3262 6.3435 6.4096 6.4275 9.4762 9.4784 9.5957 9.6009 9.6746 9.6763 16.0600 16.1099 16.4057 16.4117 16.5376 16.5797 17.5560 17.6213 k = 0.3909 0.3909 0.4921 ( 2524 PWs) bands (ev): -49.5094 -49.5094 -24.0150 -24.0130 -23.2270 -23.2266 -16.6793 -16.6788 -16.6554 -16.6457 -6.4377 -6.3589 -6.2722 -6.2006 -5.7610 -5.6237 -5.3717 -5.3538 -5.0064 -4.9088 -4.7543 -4.7257 5.4855 5.4964 5.9377 5.9727 5.9811 6.0089 6.2855 6.3090 6.3372 6.3604 6.4297 6.4521 9.4422 9.4443 9.5715 9.5772 9.6621 9.6637 16.0568 16.1084 16.4459 16.4521 16.5589 16.6031 17.5396 17.6009 k = 0.3818 0.3818 0.4921 ( 2524 PWs) bands (ev): -49.5095 -49.5095 -24.0143 -24.0122 -23.2274 -23.2270 -16.6745 -16.6736 -16.6539 -16.6438 -6.4567 -6.3836 -6.2716 -6.2116 -5.7921 -5.6383 -5.3700 -5.3622 -4.9970 -4.9076 -4.7452 -4.7092 5.5128 5.5233 5.9377 5.9746 6.0139 6.0425 6.3107 6.3364 6.3528 6.3817 6.4531 6.4799 9.4063 9.4083 9.5460 9.5520 9.6484 9.6499 16.0541 16.1075 16.4878 16.4949 16.5783 16.6242 17.5227 17.5778 k = 0.3727 0.3727 0.4921 ( 2520 PWs) bands (ev): -49.5095 -49.5095 -24.0135 -24.0112 -23.2279 -23.2274 -16.6694 -16.6681 -16.6521 -16.6418 -6.4774 -6.4095 -6.2712 -6.2229 -5.8236 -5.6533 -5.3722 -5.3693 -4.9856 -4.9056 -4.7363 -4.6929 5.5392 5.5492 5.9367 5.9759 6.0474 6.0770 6.3368 6.3652 6.3747 6.4088 6.4806 6.5114 9.3688 9.3707 9.5191 9.5255 9.6334 9.6347 16.0513 16.1069 16.5300 16.5400 16.5968 16.6428 17.5057 17.5518 k = 0.3636 0.3636 0.4921 ( 2520 PWs) bands (ev): -49.5096 -49.5096 -24.0128 -24.0103 -23.2285 -23.2279 -16.6643 -16.6624 -16.6498 -16.6397 -6.4998 -6.4367 -6.2708 -6.2343 -5.8551 -5.6688 -5.3832 -5.3696 -4.9726 -4.9028 -4.7276 -4.6770 5.5643 5.5737 5.9352 5.9766 6.0812 6.1116 6.3619 6.3940 6.4054 6.4435 6.5124 6.5469 9.3299 9.3317 9.4910 9.4978 9.6170 9.6183 16.0483 16.1063 16.5676 16.5865 16.6187 16.6593 17.4884 17.5225 k = 0.3545 0.3545 0.4921 ( 2520 PWs) bands (ev): -49.5096 -49.5096 -24.0119 -24.0093 -23.2290 -23.2283 -16.6596 -16.6564 -16.6468 -16.6373 -6.5242 -6.4652 -6.2704 -6.2458 -5.8866 -5.6847 -5.3948 -5.3708 -4.9584 -4.8992 -4.7193 -4.6615 5.5877 5.5964 5.9336 5.9770 6.1151 6.1458 6.3861 6.4222 6.4445 6.4861 6.5490 6.5867 9.2899 9.2916 9.4618 9.4690 9.5993 9.6004 16.0445 16.1053 16.5915 16.6326 16.6531 16.6753 17.4710 17.4894 k = 0.3455 0.3455 0.4921 ( 2524 PWs) bands (ev): -49.5097 -49.5097 -24.0111 -24.0083 -23.2296 -23.2288 -16.6555 -16.6503 -16.6428 -16.6348 -6.5503 -6.4950 -6.2700 -6.2571 -5.9179 -5.7011 -5.4066 -5.3728 -4.9433 -4.8950 -4.7114 -4.6467 5.6091 5.6170 5.9323 5.9773 6.1488 6.1793 6.4109 6.4503 6.4906 6.5357 6.5909 6.6310 9.2490 9.2506 9.4315 9.4391 9.5802 9.5812 16.0397 16.1034 16.6024 16.6665 16.6988 16.7020 17.4522 17.4535 k = 0.3364 0.3364 0.4921 ( 2528 PWs) bands (ev): -49.5097 -49.5097 -24.0103 -24.0073 -23.2302 -23.2292 -16.6522 -16.6443 -16.6375 -16.6318 -6.5782 -6.5262 -6.2694 -6.2681 -5.9489 -5.7180 -5.4181 -5.3755 -4.9276 -4.8901 -4.7039 -4.6325 5.6285 5.6356 5.9316 5.9780 6.1821 6.2120 6.4370 6.4790 6.5422 6.5909 6.6386 6.6801 9.2074 9.2090 9.4004 9.4082 9.5596 9.5605 16.0334 16.1002 16.6066 16.6792 16.7483 16.7493 17.4105 17.4360 k = 0.3273 0.3273 0.4921 ( 2540 PWs) bands (ev): -49.5098 -49.5098 -24.0095 -24.0063 -23.2308 -23.2297 -16.6494 -16.6388 -16.6315 -16.6282 -6.6079 -6.5586 -6.2788 -6.2686 -5.9795 -5.7354 -5.4293 -5.3788 -4.9116 -4.8846 -4.6970 -4.6190 5.6456 5.6519 5.9320 5.9794 6.2151 6.2439 6.4648 6.5087 6.5984 6.6497 6.6928 6.7341 9.1654 9.1670 9.3683 9.3765 9.5376 9.5384 16.0252 16.0953 16.6063 16.6838 16.8005 16.8022 17.3648 17.4185 k = 0.3182 0.3182 0.4921 ( 2548 PWs) bands (ev): -49.5099 -49.5099 -24.0086 -24.0052 -23.2315 -23.2302 -16.6469 -16.6342 -16.6248 -16.6233 -6.6392 -6.5923 -6.2891 -6.2676 -6.0095 -5.7531 -5.4398 -5.3827 -4.8953 -4.8786 -4.6907 -4.6064 5.6605 5.6659 5.9339 5.9821 6.2476 6.2751 6.4943 6.5395 6.6585 6.7103 6.7546 6.7932 9.1233 9.1249 9.3355 9.3439 9.5140 9.5147 16.0149 16.0881 16.6024 16.6842 16.8545 16.8565 17.3156 17.3993 k = 0.3091 0.3091 0.4921 ( 2548 PWs) bands (ev): -49.5099 -49.5099 -24.0076 -24.0041 -23.2321 -23.2308 -16.6445 -16.6305 -16.6176 -16.6170 -6.6720 -6.6273 -6.2992 -6.2662 -6.0390 -5.7710 -5.4496 -5.3869 -4.8790 -4.8722 -4.6851 -4.5946 5.6732 5.6776 5.9378 5.9863 6.2797 6.3058 6.5255 6.5716 6.7217 6.7716 6.8241 6.8572 9.0814 9.0829 9.3018 9.3104 9.4889 9.4894 16.0020 16.0782 16.5951 16.6808 16.9091 16.9112 17.2643 17.3607 k = 0.3000 0.3000 0.4921 ( 2542 PWs) bands (ev): -49.5100 -49.5100 -24.0066 -24.0029 -23.2328 -23.2313 -16.6420 -16.6274 -16.6101 -16.6099 -6.7061 -6.6633 -6.3089 -6.2646 -6.0677 -5.7890 -5.4585 -5.3914 -4.8655 -4.8628 -4.6802 -4.5838 5.6839 5.6872 5.9439 5.9926 6.3116 6.3362 6.5582 6.6050 6.7873 6.8338 6.9000 6.9261 9.0400 9.0415 9.2675 9.2762 9.4622 9.4626 15.9863 16.0650 16.5848 16.6738 16.9635 16.9655 17.2124 17.3043 k = 0.2909 0.2909 0.4921 ( 2546 PWs) bands (ev): -49.5101 -49.5101 -24.0056 -24.0017 -23.2335 -23.2318 -16.6396 -16.6246 -16.6024 -16.6023 -6.7414 -6.7004 -6.3184 -6.2626 -6.0956 -5.8069 -5.4667 -5.3962 -4.8586 -4.8467 -4.6761 -4.5740 5.6925 5.6948 5.9526 6.0013 6.3432 6.3666 6.5924 6.6397 6.8546 6.8973 6.9808 6.9996 8.9993 9.0008 9.2325 9.2413 9.4339 9.4342 15.9672 16.0479 16.5719 16.6632 17.0158 17.0164 17.1633 17.2492 k = 0.2818 0.2818 0.4921 ( 2544 PWs) bands (ev): -49.5101 -49.5101 -24.0046 -24.0005 -23.2342 -23.2323 -16.6370 -16.6219 -16.5945 -16.5944 -6.7777 -6.7384 -6.3278 -6.2605 -6.1224 -5.8245 -5.4741 -5.4011 -4.8515 -4.8308 -4.6729 -4.5653 5.6994 5.7004 5.9641 6.0126 6.3749 6.3969 6.6280 6.6757 6.9232 6.9620 7.0655 7.0773 8.9596 8.9612 9.1968 9.2056 9.4040 9.4041 15.9445 16.0263 16.5568 16.6491 17.0481 17.0602 17.1334 17.2031 k = 0.2727 0.2727 0.4921 ( 2544 PWs) bands (ev): -49.5102 -49.5102 -24.0035 -23.9994 -23.2349 -23.2329 -16.6345 -16.6192 -16.5864 -16.5862 -6.8148 -6.7771 -6.3371 -6.2585 -6.1479 -5.8415 -5.4807 -5.4060 -4.8443 -4.8153 -4.6705 -4.5577 5.7045 5.7046 5.9784 6.0266 6.4066 6.4276 6.6647 6.7129 6.9925 7.0279 7.1535 7.1587 8.9214 8.9230 9.1605 9.1692 9.3724 9.3725 15.9177 15.9997 16.5400 16.6319 17.0251 17.0741 17.1583 17.1885 k = 0.2636 0.2636 0.4921 ( 2540 PWs) bands (ev): -49.5102 -49.5102 -24.0024 -23.9981 -23.2355 -23.2334 -16.6319 -16.6166 -16.5781 -16.5779 -6.8525 -6.8165 -6.3465 -6.2574 -6.1712 -5.8578 -5.4867 -5.4110 -4.8372 -4.8001 -4.6691 -4.5511 5.7072 5.7084 5.9957 6.0437 6.4386 6.4585 6.7027 6.7512 7.0621 7.0944 7.2433 7.2440 8.8851 8.8867 9.1236 9.1320 9.3390 9.3393 15.8866 15.9674 16.5222 16.6120 16.9789 17.0436 17.2064 17.2195 k = 0.2545 0.2545 0.4921 ( 2548 PWs) bands (ev): -49.5103 -49.5103 -24.0014 -23.9970 -23.2362 -23.2339 -16.6294 -16.6141 -16.5699 -16.5696 -6.8907 -6.8563 -6.3560 -6.2589 -6.1905 -5.8730 -5.4920 -5.4160 -4.8302 -4.7853 -4.6686 -4.5456 5.7089 5.7111 6.0159 6.0636 6.4710 6.4900 6.7416 6.7906 7.1314 7.1611 7.3306 7.3366 8.8509 8.8527 9.0861 9.0942 9.3039 9.3044 15.8507 15.9292 16.5042 16.5901 16.9297 16.9983 17.2572 17.2658 k = 0.2455 0.2455 0.4921 ( 2544 PWs) bands (ev): -49.5104 -49.5104 -24.0003 -23.9958 -23.2369 -23.2345 -16.6267 -16.6115 -16.5614 -16.5612 -6.9292 -6.8963 -6.3658 -6.2660 -6.2028 -5.8871 -5.4969 -5.4209 -4.8234 -4.7709 -4.6691 -4.5412 5.7098 5.7128 6.0390 6.0866 6.5039 6.5221 6.7813 6.8309 7.2000 7.2274 7.4200 7.4308 8.8195 8.8213 9.0480 9.0555 9.2672 9.2678 15.8098 15.8847 16.4865 16.5669 16.8813 16.9510 17.3064 17.3132 k = 0.2364 0.2364 0.4921 ( 2544 PWs) bands (ev): -49.5104 -49.5104 -23.9992 -23.9946 -23.2376 -23.2350 -16.6240 -16.6089 -16.5529 -16.5527 -6.9678 -6.9365 -6.3760 -6.2802 -6.2065 -5.8997 -5.5013 -5.4258 -4.8169 -4.7571 -4.6705 -4.5378 5.7101 5.7139 6.0649 6.1126 6.5374 6.5549 6.8219 6.8721 7.2674 7.2926 7.5109 7.5261 8.7913 8.7932 9.0093 9.0162 9.2288 9.2297 15.7637 15.8339 16.4698 16.5432 16.8345 16.9048 17.3313 17.3505 k = 0.2273 0.2273 0.4921 ( 2540 PWs) bands (ev): -49.5105 -49.5105 -23.9981 -23.9935 -23.2383 -23.2356 -16.6213 -16.6064 -16.5444 -16.5441 -7.0064 -6.9767 -6.3866 -6.2992 -6.2040 -5.9108 -5.5054 -5.4307 -4.8108 -4.7439 -4.6727 -4.5354 5.7101 5.7144 6.0936 6.1415 6.5715 6.5885 6.8630 6.9140 7.3328 7.3560 7.6028 7.6221 8.7669 8.7689 8.9700 8.9760 9.1887 9.1899 15.7123 15.7771 16.4545 16.5199 16.7900 16.8608 17.3327 17.3769 k = 0.2182 0.2182 0.4921 ( 2540 PWs) bands (ev): -49.5106 -49.5106 -23.9971 -23.9923 -23.2389 -23.2361 -16.6186 -16.6039 -16.5359 -16.5357 -7.0448 -7.0166 -6.3977 -6.3201 -6.1981 -5.9201 -5.5092 -5.4355 -4.8051 -4.7314 -4.6756 -4.5339 5.7099 5.7146 6.1250 6.1733 6.6064 6.6229 6.9046 6.9564 7.3956 7.4170 7.6951 7.7184 8.7469 8.7491 8.9303 8.9351 9.1471 9.1485 15.6558 15.7145 16.4409 16.4976 16.7482 16.8193 17.3339 17.3788 k = 0.2091 0.2091 0.4921 ( 2540 PWs) bands (ev): -49.5106 -49.5106 -23.9960 -23.9912 -23.2395 -23.2366 -16.6158 -16.6015 -16.5275 -16.5273 -7.0828 -7.0561 -6.4093 -6.3417 -6.1901 -5.9276 -5.5128 -5.4402 -4.8001 -4.7202 -4.6788 -4.5332 5.7095 5.7145 6.1592 6.2080 6.6421 6.6582 6.9464 6.9993 7.4551 7.4746 7.7873 7.8145 8.7321 8.7344 8.8901 8.8933 9.1039 9.1056 15.5944 15.6468 16.4292 16.4769 16.7094 16.7808 17.3346 17.3751 k = 0.2000 0.2000 0.4921 ( 2548 PWs) bands (ev): -49.5107 -49.5107 -23.9950 -23.9903 -23.2402 -23.2372 -16.6131 -16.5991 -16.5192 -16.5191 -7.1203 -7.0952 -6.4214 -6.3633 -6.1805 -5.9331 -5.5163 -5.4450 -4.7958 -4.7114 -4.6809 -4.5331 5.7092 5.7143 6.1959 6.2455 6.6787 6.6945 6.9884 7.0424 7.5103 7.5281 7.8787 7.9098 8.7231 8.7256 8.8495 8.8509 9.0592 9.0612 15.5284 15.5746 16.4193 16.4580 16.6738 16.7455 17.3338 17.3695 k = 0.1909 0.1909 0.4921 ( 2544 PWs) bands (ev): -49.5108 -49.5108 -23.9939 -23.9892 -23.2407 -23.2377 -16.6104 -16.5967 -16.5109 -16.5108 -7.1571 -7.1335 -6.4339 -6.3846 -6.1697 -5.9368 -5.5198 -5.4497 -4.7922 -4.7078 -4.6793 -4.5337 5.7088 5.7141 6.2353 6.2858 6.7161 6.7317 7.0303 7.0857 7.5606 7.5766 7.9686 8.0040 8.7203 8.7233 8.8079 8.8089 9.0131 9.0155 15.4585 15.4986 16.4113 16.4414 16.6416 16.7136 17.3306 17.3614 k = 0.1818 0.1818 0.4921 ( 2540 PWs) bands (ev): -49.5108 -49.5108 -23.9929 -23.9881 -23.2413 -23.2382 -16.6076 -16.5944 -16.5028 -16.5027 -7.1931 -7.1710 -6.4469 -6.4055 -6.1578 -5.9385 -5.5233 -5.4546 -4.7896 -4.7102 -4.6728 -4.5346 5.7086 5.7138 6.2772 6.3288 6.7545 6.7699 7.0720 7.1288 7.6053 7.6195 8.0562 8.0965 8.7232 8.7278 8.7657 8.7686 8.9657 8.9686 15.3852 15.4197 16.4052 16.4271 16.6132 16.6851 17.3238 17.3500 k = 0.1727 0.1727 0.4921 ( 2544 PWs) bands (ev): -49.5109 -49.5109 -23.9919 -23.9872 -23.2418 -23.2387 -16.6050 -16.5922 -16.4950 -16.4948 -7.2282 -7.2075 -6.4602 -6.4258 -6.1449 -5.9384 -5.5270 -5.4595 -4.7878 -4.7163 -4.6640 -4.5359 5.7084 5.7136 6.3216 6.3744 6.7937 6.8091 7.1132 7.1717 7.6439 7.6563 8.1401 8.1864 8.7117 8.7265 8.7420 8.7446 8.9173 8.9211 15.3092 15.3387 16.4007 16.4153 16.5885 16.6601 17.3120 17.3342 k = 0.1636 0.1636 0.4921 ( 2548 PWs) bands (ev): -49.5109 -49.5109 -23.9910 -23.9863 -23.2424 -23.2392 -16.6023 -16.5900 -16.4873 -16.4872 -7.2622 -7.2429 -6.4738 -6.4454 -6.1311 -5.9365 -5.5308 -5.4646 -4.7871 -4.7241 -4.6546 -4.5373 5.7084 5.7134 6.3683 6.4225 6.8338 6.8492 7.1537 7.2141 7.6762 7.6868 8.2187 8.2730 8.6701 8.6903 8.7583 8.7600 8.8687 8.8743 15.2312 15.2562 16.3977 16.4059 16.5678 16.6388 17.2946 17.3134 k = 0.1545 0.1545 0.4921 ( 2544 PWs) bands (ev): -49.5110 -49.5110 -23.9900 -23.9854 -23.2428 -23.2397 -16.5997 -16.5879 -16.4797 -16.4796 -7.2951 -7.2771 -6.4874 -6.4643 -6.1165 -5.9330 -5.5349 -5.4698 -4.7873 -4.7329 -4.6453 -4.5388 5.7085 5.7133 6.4173 6.4732 6.8748 6.8904 7.1933 7.2558 7.7024 7.7111 8.2888 8.3546 8.6264 8.6576 8.7727 8.7782 8.8269 8.8371 15.1521 15.1730 16.3963 16.3989 16.5512 16.6209 17.2710 17.2876 k = 0.1455 0.1455 0.4921 ( 2544 PWs) bands (ev): -49.5110 -49.5110 -23.9890 -23.9846 -23.2433 -23.2402 -16.5972 -16.5859 -16.4725 -16.4724 -7.3266 -7.3100 -6.5010 -6.4824 -6.1011 -5.9279 -5.5393 -5.4753 -4.7887 -4.7424 -4.6362 -4.5402 5.7086 5.7133 6.4683 6.5261 6.9165 6.9325 7.2317 7.2965 7.7229 7.7298 8.3440 8.4261 8.5874 8.6355 8.7497 8.7531 8.8349 8.8434 15.0725 15.0899 16.3942 16.3961 16.5387 16.6066 17.2417 17.2569 k = 0.1364 0.1364 0.4921 ( 2544 PWs) bands (ev): -49.5111 -49.5111 -23.9881 -23.9838 -23.2437 -23.2407 -16.5947 -16.5840 -16.4655 -16.4655 -7.3568 -7.3415 -6.5145 -6.4997 -6.0850 -5.9215 -5.5441 -5.4810 -4.7910 -4.7524 -4.6274 -4.5415 5.7089 5.7134 6.5214 6.5813 6.9590 6.9755 7.2686 7.3361 7.7384 7.7435 8.3741 8.4648 8.5755 8.6337 8.7022 8.7036 8.8732 8.8794 14.9931 15.0075 16.3920 16.3972 16.5302 16.5957 17.2076 17.2224 k = 0.1273 0.1273 0.4921 ( 2546 PWs) bands (ev): -49.5111 -49.5111 -23.9873 -23.9832 -23.2441 -23.2411 -16.5924 -16.5823 -16.4589 -16.4589 -7.3855 -7.3714 -6.5277 -6.5160 -6.0683 -5.9139 -5.5492 -5.4871 -4.7943 -4.7626 -4.6191 -4.5426 5.7093 5.7135 6.5762 6.6385 7.0020 7.0193 7.3039 7.3742 7.7499 7.7532 8.3731 8.4436 8.6138 8.6497 8.6546 8.6581 8.9193 8.9244 14.9148 14.9265 16.3920 16.3996 16.5258 16.5881 17.1698 17.1847 k = 0.1182 0.1182 0.4921 ( 2542 PWs) bands (ev): -49.5112 -49.5112 -23.9864 -23.9825 -23.2444 -23.2416 -16.5900 -16.5805 -16.4526 -16.4526 -7.4125 -7.3997 -6.5405 -6.5315 -6.0510 -5.9053 -5.5547 -5.4936 -4.7985 -4.7729 -4.6112 -4.5435 5.7098 5.7137 6.6326 6.6977 7.0454 7.0639 7.3373 7.4107 7.7583 7.7598 8.3488 8.3990 8.5909 8.5954 8.6830 8.7008 8.9698 8.9742 14.8381 14.8477 16.3944 16.4033 16.5251 16.5836 17.1294 17.1448 k = 0.1091 0.1091 0.4921 ( 2546 PWs) bands (ev): -49.5112 -49.5112 -23.9856 -23.9819 -23.2447 -23.2420 -16.5878 -16.5790 -16.4467 -16.4467 -7.4379 -7.4262 -6.5527 -6.5460 -6.0333 -5.8959 -5.5605 -5.5004 -4.8033 -4.7832 -4.6038 -4.5441 5.7103 5.7139 6.6903 6.7586 7.0890 7.1091 7.3686 7.4453 7.7642 7.7645 8.3117 8.3483 8.5363 8.5401 8.7424 8.7511 9.0229 9.0266 14.7638 14.7715 16.3989 16.4083 16.5280 16.5820 17.0875 17.1035 k = 0.1000 0.1000 0.4921 ( 2546 PWs) bands (ev): -49.5113 -49.5113 -23.9849 -23.9814 -23.2450 -23.2424 -16.5858 -16.5776 -16.4411 -16.4411 -7.4616 -7.4510 -6.5644 -6.5594 -6.0153 -5.8859 -5.5667 -5.5076 -4.8088 -4.7932 -4.5968 -4.5446 5.7108 5.7142 6.7492 6.8211 7.1324 7.1549 7.3978 7.4779 7.7674 7.7694 8.2681 8.2950 8.4802 8.4840 8.7998 8.8028 9.0771 9.0800 14.6926 14.6987 16.4057 16.4149 16.5342 16.5831 17.0447 17.0613 k = 0.0909 0.0909 0.4921 ( 2546 PWs) bands (ev): -49.5113 -49.5113 -23.9841 -23.9809 -23.2453 -23.2428 -16.5838 -16.5763 -16.4360 -16.4359 -7.4834 -7.4738 -6.5754 -6.5718 -5.9969 -5.8756 -5.5732 -5.5153 -4.8146 -4.8029 -4.5903 -4.5448 5.7114 5.7145 6.8088 6.8849 7.1750 7.2009 7.4249 7.5082 7.7699 7.7734 8.2209 8.2400 8.4233 8.4275 8.8532 8.8533 9.1309 9.1331 14.6250 14.6298 16.4146 16.4231 16.5432 16.5868 17.0018 17.0187 k = 0.0818 0.0818 0.4921 ( 2538 PWs) bands (ev): -49.5113 -49.5113 -23.9834 -23.9804 -23.2454 -23.2432 -16.5818 -16.5751 -16.4312 -16.4312 -7.5033 -7.4948 -6.5856 -6.5831 -5.9785 -5.8653 -5.5798 -5.5234 -4.8207 -4.8122 -4.5843 -4.5450 5.7120 5.7148 6.8688 6.9499 7.2161 7.2469 7.4504 7.5363 7.7723 7.7772 8.1716 8.1839 8.3662 8.3707 8.9008 8.9026 9.1830 9.1845 14.5616 14.5653 16.4257 16.4330 16.5548 16.5927 16.9594 16.9763 k = 0.0727 0.0727 0.4921 ( 2542 PWs) bands (ev): -49.5114 -49.5114 -23.9828 -23.9801 -23.2456 -23.2436 -16.5802 -16.5741 -16.4269 -16.4269 -7.5212 -7.5137 -6.5949 -6.5933 -5.9600 -5.8553 -5.5864 -5.5319 -4.8267 -4.8208 -4.5788 -4.5451 5.7126 5.7151 6.9289 7.0159 7.2546 7.2926 7.4748 7.5624 7.7749 7.7810 8.1215 8.1272 8.3089 8.3139 8.9447 8.9475 9.2323 9.2332 14.5031 14.5060 16.4387 16.4446 16.5685 16.6005 16.9180 16.9347 k = 0.0636 0.0636 0.4921 ( 2552 PWs) bands (ev): -49.5114 -49.5114 -23.9823 -23.9799 -23.2457 -23.2439 -16.5787 -16.5733 -16.4232 -16.4232 -7.5371 -7.5306 -6.6033 -6.6023 -5.9417 -5.8459 -5.5928 -5.5407 -4.8326 -4.8286 -4.5738 -4.5453 5.7132 5.7154 6.9885 7.0825 7.2890 7.3374 7.4993 7.5869 7.7777 7.7848 8.0705 8.0713 8.2518 8.2573 8.9846 8.9876 9.2778 9.2782 14.4500 14.4522 16.4535 16.4579 16.5842 16.6101 16.8782 16.8942 k = 0.0545 0.0545 0.4921 ( 2560 PWs) bands (ev): -49.5114 -49.5114 -23.9819 -23.9798 -23.2458 -23.2442 -16.5773 -16.5727 -16.4199 -16.4199 -7.5509 -7.5454 -6.6108 -6.6102 -5.9238 -5.8377 -5.5985 -5.5499 -4.8381 -4.8356 -4.5692 -4.5455 5.7137 5.7156 7.0470 7.1496 7.3176 7.3807 7.5249 7.6102 7.7798 7.7884 8.0150 8.0221 8.1951 8.2012 9.0199 9.0229 9.3187 9.3188 14.4028 14.4044 16.4701 16.4729 16.6013 16.6210 16.8404 16.8554 k = 0.0455 0.0455 0.4921 ( 2554 PWs) bands (ev): -49.5115 -49.5115 -23.9813 -23.9795 -23.2459 -23.2445 -16.5759 -16.5721 -16.4170 -16.4170 -7.5626 -7.5581 -6.6171 -6.6169 -5.9065 -5.8312 -5.6032 -5.5591 -4.8431 -4.8417 -4.5651 -4.5458 5.7143 5.7158 7.1036 7.2167 7.3388 7.4218 7.5520 7.6328 7.7799 7.7915 7.9631 7.9755 8.1392 8.1460 9.0504 9.0531 9.3543 9.3544 14.3620 14.3632 16.4881 16.4892 16.6194 16.6328 16.8055 16.8190 k = 0.0364 0.0364 0.4921 ( 2562 PWs) bands (ev): -49.5115 -49.5115 -23.9809 -23.9795 -23.2459 -23.2448 -16.5748 -16.5718 -16.4148 -16.4148 -7.5722 -7.5686 -6.6224 -6.6223 -5.8899 -5.8269 -5.6065 -5.5684 -4.8474 -4.8467 -4.5614 -4.5463 5.7147 5.7160 7.1573 7.2834 7.3520 7.4598 7.5795 7.6537 7.7755 7.7939 7.9194 7.9336 8.0846 8.0922 9.0758 9.0781 9.3841 9.3843 14.3281 14.3289 16.5066 16.5072 16.6377 16.6447 16.7743 16.7859 k = 0.0273 0.0273 0.4921 ( 2558 PWs) bands (ev): -49.5115 -49.5115 -23.9805 -23.9795 -23.2459 -23.2450 -16.5739 -16.5715 -16.4129 -16.4129 -7.5795 -7.5768 -6.6266 -6.6266 -5.8744 -5.8252 -5.6080 -5.5774 -4.8510 -4.8507 -4.5582 -4.5471 5.7151 5.7161 7.2070 7.3446 7.3613 7.4941 7.6035 7.6667 7.7669 7.7961 7.8911 7.8998 8.0320 8.0408 9.0958 9.0976 9.4078 9.4080 14.3013 14.3018 16.5245 16.5265 16.6543 16.6548 16.7492 16.7579 k = 0.0182 0.0182 0.4921 ( 2558 PWs) bands (ev): -49.5115 -49.5115 -23.9802 -23.9795 -23.2458 -23.2452 -16.5730 -16.5715 -16.4116 -16.4116 -7.5847 -7.5829 -6.6296 -6.6296 -5.8604 -5.8265 -5.6074 -5.5859 -4.8536 -4.8535 -4.5554 -4.5481 5.7155 5.7161 7.2511 7.3503 7.4161 7.5233 7.6180 7.6571 7.7671 7.7992 7.8781 7.8808 7.9831 7.9930 9.1104 9.1116 9.4250 9.4252 14.2819 14.2822 16.5418 16.5446 16.6600 16.6647 16.7339 16.7393 k = 0.0091 0.0091 0.4921 ( 2562 PWs) bands (ev): -49.5115 -49.5115 -23.9800 -23.9796 -23.2457 -23.2454 -16.5725 -16.5717 -16.4108 -16.4108 -7.5876 -7.5867 -6.6314 -6.6314 -5.8482 -5.8309 -5.6047 -5.5936 -4.8552 -4.8552 -4.5530 -4.5494 5.7157 5.7160 7.2884 7.3384 7.4763 7.5414 7.6190 7.6279 7.7814 7.8017 7.8733 7.8840 7.9417 7.9520 9.1193 9.1199 9.4354 9.4356 14.2702 14.2704 16.5561 16.5585 16.6592 16.6642 16.7309 16.7340 k = 0.0000 0.0000 0.4921 ( 2546 PWs) bands (ev): -49.5115 -49.5115 -23.9796 -23.9796 -23.2456 -23.2456 -16.5719 -16.5719 -16.4103 -16.4103 -7.5883 -7.5883 -6.6320 -6.6320 -5.8382 -5.8382 -5.5999 -5.5999 -4.8557 -4.8557 -4.5510 -4.5510 5.7159 5.7159 7.3176 7.3176 7.5258 7.5258 7.6137 7.6137 7.7960 7.7960 7.8843 7.8843 7.9265 7.9265 9.1225 9.1225 9.4390 9.4390 14.2664 14.2664 16.5630 16.5630 16.6593 16.6593 16.7336 16.7336 k = 0.0000 0.5000-0.0000 ( 2544 PWs) bands (ev): -49.5112 -49.5112 -23.9840 -23.9840 -23.2427 -23.2427 -16.6155 -16.6155 -16.3969 -16.3969 -7.5440 -7.5440 -6.5076 -6.5076 -5.9709 -5.9709 -5.5880 -5.5880 -4.8106 -4.8106 -4.5174 -4.5174 5.5897 5.5897 7.4049 7.4049 7.5065 7.5065 7.5674 7.5674 7.6398 7.6398 7.8521 7.8521 8.1060 8.1060 9.0392 9.0392 9.3398 9.3398 14.4927 14.4927 15.9570 15.9570 16.4793 16.4793 16.7786 16.7786 k = 0.0000 0.5000 0.0126 ( 2552 PWs) bands (ev): -49.5112 -49.5112 -23.9841 -23.9841 -23.2427 -23.2427 -16.6156 -16.6156 -16.3973 -16.3973 -7.5431 -7.5431 -6.5070 -6.5070 -5.9718 -5.9718 -5.5875 -5.5875 -4.8103 -4.8103 -4.5175 -4.5175 5.5896 5.5896 7.3847 7.3847 7.5126 7.5126 7.5659 7.5659 7.6472 7.6472 7.8513 7.8513 8.1134 8.1134 9.0373 9.0373 9.3358 9.3358 14.4962 14.4962 15.9575 15.9575 16.4797 16.4797 16.7795 16.7795 k = 0.0000 0.5000 0.0252 ( 2556 PWs) bands (ev): -49.5112 -49.5112 -23.9842 -23.9842 -23.2426 -23.2426 -16.6158 -16.6158 -16.3980 -16.3980 -7.5403 -7.5403 -6.5049 -6.5049 -5.9746 -5.9746 -5.5858 -5.5858 -4.8092 -4.8092 -4.5180 -4.5180 5.5894 5.5894 7.3376 7.3376 7.5213 7.5213 7.5624 7.5624 7.6658 7.6658 7.8489 7.8489 8.1350 8.1350 9.0317 9.0317 9.3243 9.3243 14.5064 14.5064 15.9592 15.9592 16.4808 16.4808 16.7824 16.7824 k = 0.0000 0.5000 0.0379 ( 2552 PWs) bands (ev): -49.5112 -49.5112 -23.9843 -23.9843 -23.2426 -23.2426 -16.6161 -16.6161 -16.3991 -16.3991 -7.5358 -7.5358 -6.5016 -6.5016 -5.9791 -5.9791 -5.5832 -5.5832 -4.8075 -4.8075 -4.5187 -4.5187 5.5891 5.5891 7.2778 7.2778 7.5255 7.5255 7.5576 7.5576 7.6885 7.6885 7.8450 7.8450 8.1696 8.1696 9.0218 9.0218 9.3058 9.3058 14.5235 14.5235 15.9619 15.9619 16.4826 16.4826 16.7876 16.7876 k = 0.0000 0.5000 0.0505 ( 2552 PWs) bands (ev): -49.5112 -49.5112 -23.9844 -23.9844 -23.2425 -23.2425 -16.6166 -16.6166 -16.4006 -16.4006 -7.5295 -7.5295 -6.4969 -6.4969 -5.9852 -5.9852 -5.5795 -5.5795 -4.8051 -4.8051 -4.5196 -4.5196 5.5886 5.5886 7.2111 7.2111 7.5255 7.5255 7.5518 7.5518 7.7108 7.7108 7.8394 7.8394 8.2152 8.2152 9.0071 9.0071 9.2818 9.2818 14.5472 14.5472 15.9659 15.9659 16.4851 16.4851 16.7951 16.7951 k = 0.0000 0.5000 0.0631 ( 2548 PWs) bands (ev): -49.5112 -49.5112 -23.9846 -23.9846 -23.2424 -23.2424 -16.6171 -16.6171 -16.4026 -16.4026 -7.5216 -7.5216 -6.4909 -6.4909 -5.9929 -5.9929 -5.5750 -5.5750 -4.8021 -4.8021 -4.5208 -4.5208 5.5880 5.5880 7.1406 7.1406 7.5223 7.5223 7.5451 7.5451 7.7310 7.7310 7.8321 7.8321 8.2693 8.2693 8.9865 8.9865 9.2541 9.2541 14.5774 14.5774 15.9712 15.9712 16.4883 16.4883 16.8056 16.8056 k = 0.0000 0.5000 0.0757 ( 2548 PWs) bands (ev): -49.5112 -49.5112 -23.9848 -23.9848 -23.2423 -23.2423 -16.6178 -16.6178 -16.4050 -16.4050 -7.5119 -7.5119 -6.4837 -6.4837 -6.0019 -6.0019 -5.5698 -5.5698 -4.7985 -4.7985 -4.5222 -4.5222 5.5873 5.5873 7.0678 7.0678 7.5162 7.5162 7.5373 7.5373 7.7492 7.7492 7.8231 7.8231 8.3297 8.3297 8.9589 8.9589 9.2248 9.2248 14.6138 14.6138 15.9779 15.9779 16.4920 16.4920 16.8192 16.8192 k = 0.0000 0.5000 0.0883 ( 2552 PWs) bands (ev): -49.5112 -49.5112 -23.9851 -23.9851 -23.2422 -23.2422 -16.6187 -16.6187 -16.4078 -16.4078 -7.5007 -7.5007 -6.4753 -6.4753 -6.0121 -6.0121 -5.5638 -5.5638 -4.7943 -4.7943 -4.5237 -4.5237 5.5864 5.5864 6.9938 6.9938 7.5074 7.5074 7.5286 7.5286 7.7660 7.7660 7.8121 7.8121 8.3943 8.3943 8.9234 8.9234 9.1962 9.1962 14.6563 14.6563 15.9861 15.9861 16.4962 16.4962 16.8363 16.8363 k = 0.0000 0.5000 0.1009 ( 2558 PWs) bands (ev): -49.5111 -49.5111 -23.9855 -23.9855 -23.2420 -23.2420 -16.6198 -16.6198 -16.4109 -16.4109 -7.4881 -7.4881 -6.4658 -6.4658 -6.0234 -6.0234 -5.5573 -5.5573 -4.7895 -4.7895 -4.5255 -4.5255 5.5854 5.5854 6.9193 6.9193 7.4958 7.4958 7.5189 7.5189 7.7813 7.7813 7.7996 7.7996 8.4615 8.4615 8.8797 8.8797 9.1699 9.1699 14.7045 14.7045 15.9960 15.9960 16.5009 16.5009 16.8572 16.8572 k = 0.0000 0.5000 0.1136 ( 2554 PWs) bands (ev): -49.5111 -49.5111 -23.9859 -23.9859 -23.2418 -23.2418 -16.6209 -16.6209 -16.4142 -16.4142 -7.4741 -7.4741 -6.4552 -6.4552 -6.0356 -6.0356 -5.5503 -5.5503 -4.7843 -4.7843 -4.5273 -4.5273 5.5843 5.5843 6.8448 6.8448 7.4811 7.4811 7.5083 7.5083 7.7819 7.7819 7.7994 7.7994 8.5301 8.5301 8.8288 8.8288 9.1466 9.1466 14.7581 14.7581 16.0076 16.0076 16.5060 16.5060 16.8820 16.8820 k = 0.0000 0.5000 0.1262 ( 2562 PWs) bands (ev): -49.5111 -49.5111 -23.9863 -23.9863 -23.2416 -23.2416 -16.6223 -16.6223 -16.4180 -16.4180 -7.4588 -7.4588 -6.4437 -6.4437 -6.0485 -6.0485 -5.5428 -5.5428 -4.7786 -4.7786 -4.5292 -4.5292 5.5830 5.5830 6.7707 6.7707 7.4626 7.4626 7.4969 7.4969 7.7647 7.7647 7.8144 7.8144 8.5988 8.5988 8.7728 8.7728 9.1262 9.1262 14.8168 14.8168 16.0213 16.0213 16.5113 16.5113 16.9109 16.9109 k = 0.0000 0.5000 0.1388 ( 2562 PWs) bands (ev): -49.5111 -49.5111 -23.9868 -23.9868 -23.2414 -23.2414 -16.6238 -16.6238 -16.4219 -16.4219 -7.4424 -7.4424 -6.4313 -6.4313 -6.0620 -6.0620 -5.5350 -5.5350 -4.7725 -4.7725 -4.5311 -4.5311 5.5816 5.5816 6.6975 6.6975 7.4400 7.4400 7.4848 7.4848 7.7444 7.7444 7.8302 7.8302 8.6645 8.6645 8.7167 8.7167 9.1084 9.1084 14.8801 14.8801 16.0371 16.0371 16.5170 16.5170 16.9440 16.9440 k = 0.0000 0.5000 0.1514 ( 2570 PWs) bands (ev): -49.5111 -49.5111 -23.9873 -23.9873 -23.2412 -23.2412 -16.6254 -16.6254 -16.4260 -16.4260 -7.4249 -7.4249 -6.4181 -6.4181 -6.0759 -6.0759 -5.5268 -5.5268 -4.7661 -4.7661 -4.5329 -4.5329 5.5801 5.5801 6.6253 6.6253 7.4123 7.4123 7.4720 7.4720 7.7213 7.7213 7.8465 7.8465 8.6488 8.6488 8.7402 8.7402 9.0927 9.0927 14.9476 14.9476 16.0551 16.0551 16.5228 16.5228 16.9811 16.9811 k = 0.0000 0.5000 0.1640 ( 2562 PWs) bands (ev): -49.5110 -49.5110 -23.9877 -23.9877 -23.2410 -23.2410 -16.6272 -16.6272 -16.4301 -16.4301 -7.4066 -7.4066 -6.4044 -6.4044 -6.0901 -6.0901 -5.5182 -5.5182 -4.7594 -4.7594 -4.5347 -4.5347 5.5784 5.5784 6.5544 6.5544 7.3789 7.3789 7.4586 7.4586 7.6959 7.6959 7.8633 7.8633 8.5913 8.5913 8.8056 8.8056 9.0788 9.0788 15.0190 15.0190 16.0755 16.0755 16.5288 16.5288 17.0223 17.0223 k = 0.0000 0.5000 0.1766 ( 2544 PWs) bands (ev): -49.5110 -49.5110 -23.9880 -23.9880 -23.2407 -23.2407 -16.6290 -16.6290 -16.4342 -16.4342 -7.3875 -7.3875 -6.3902 -6.3902 -6.1045 -6.1045 -5.5093 -5.5093 -4.7524 -4.7524 -4.5364 -4.5364 5.5766 5.5766 6.4850 6.4850 7.3386 7.3386 7.4446 7.4446 7.6685 7.6685 7.8806 7.8806 8.5361 8.5361 8.8701 8.8701 9.0667 9.0667 15.0938 15.0938 16.0984 16.0984 16.5349 16.5349 17.0670 17.0670 k = 0.0000 0.5000 0.1893 ( 2548 PWs) bands (ev): -49.5109 -49.5109 -23.9886 -23.9886 -23.2405 -23.2405 -16.6312 -16.6312 -16.4386 -16.4386 -7.3678 -7.3678 -6.3757 -6.3757 -6.1189 -6.1189 -5.5001 -5.5001 -4.7452 -4.7452 -4.5379 -4.5379 5.5746 5.5746 6.4172 6.4172 7.2908 7.2908 7.4302 7.4302 7.6397 7.6397 7.8983 7.8983 8.4855 8.4855 8.9314 8.9314 9.0572 9.0572 15.1715 15.1715 16.1238 16.1238 16.5411 16.5411 17.1074 17.1074 k = 0.0000 0.5000 0.2019 ( 2548 PWs) bands (ev): -49.5109 -49.5109 -23.9891 -23.9891 -23.2402 -23.2402 -16.6335 -16.6335 -16.4430 -16.4430 -7.3476 -7.3476 -6.3612 -6.3612 -6.1332 -6.1332 -5.4905 -5.4905 -4.7378 -4.7378 -4.5391 -4.5391 5.5724 5.5724 6.3513 6.3513 7.2348 7.2348 7.4154 7.4154 7.6105 7.6105 7.9163 7.9163 8.4405 8.4405 8.9842 8.9842 9.0551 9.0551 15.2515 15.2515 16.1517 16.1517 16.5475 16.5475 17.0866 17.0866 k = 0.0000 0.5000 0.2145 ( 2542 PWs) bands (ev): -49.5109 -49.5109 -23.9896 -23.9896 -23.2399 -23.2399 -16.6360 -16.6360 -16.4472 -16.4472 -7.3270 -7.3270 -6.3469 -6.3469 -6.1473 -6.1473 -5.4807 -5.4807 -4.7304 -4.7304 -4.5401 -4.5401 5.5700 5.5700 6.2873 6.2873 7.1707 7.1707 7.4004 7.4004 7.5815 7.5815 7.9347 7.9347 8.4016 8.4016 9.0092 9.0092 9.0795 9.0795 15.3335 15.3335 16.1820 16.1820 16.5541 16.5541 17.0552 17.0552 k = 0.0000 0.5000 0.2271 ( 2542 PWs) bands (ev): -49.5108 -49.5108 -23.9902 -23.9902 -23.2397 -23.2397 -16.6386 -16.6386 -16.4514 -16.4514 -7.3062 -7.3062 -6.3330 -6.3330 -6.1608 -6.1608 -5.4704 -5.4704 -4.7229 -4.7229 -4.5408 -4.5408 5.5674 5.5674 6.2254 6.2254 7.0991 7.0991 7.3852 7.3852 7.5532 7.5532 7.9533 7.9533 8.3688 8.3688 9.0084 9.0084 9.1280 9.1280 15.4168 15.4168 16.2147 16.2147 16.5609 16.5609 17.0233 17.0233 k = 0.0000 0.5000 0.2397 ( 2544 PWs) bands (ev): -49.5108 -49.5108 -23.9908 -23.9908 -23.2394 -23.2394 -16.6414 -16.6414 -16.4555 -16.4555 -7.2853 -7.2853 -6.3199 -6.3199 -6.1736 -6.1736 -5.4599 -5.4599 -4.7153 -4.7153 -4.5411 -4.5411 5.5646 5.5646 6.1658 6.1658 7.0210 7.0210 7.3699 7.3699 7.5259 7.5259 7.9720 7.9720 8.3416 8.3416 9.0019 9.0019 9.1804 9.1804 15.5010 15.5010 16.2495 16.2495 16.5680 16.5680 16.9915 16.9915 k = 0.0000 0.5000 0.2523 ( 2544 PWs) bands (ev): -49.5108 -49.5108 -23.9914 -23.9914 -23.2391 -23.2391 -16.6443 -16.6443 -16.4595 -16.4595 -7.2644 -7.2644 -6.3082 -6.3082 -6.1853 -6.1853 -5.4490 -5.4490 -4.7077 -4.7077 -4.5411 -4.5411 5.5614 5.5614 6.1084 6.1084 6.9379 6.9379 7.3547 7.3547 7.4997 7.4997 7.9907 7.9907 8.3193 8.3193 8.9944 8.9944 9.2317 9.2317 15.5854 15.5854 16.2862 16.2862 16.5756 16.5756 16.9599 16.9599 k = 0.0000 0.5000 0.2650 ( 2548 PWs) bands (ev): -49.5107 -49.5107 -23.9920 -23.9920 -23.2388 -23.2388 -16.6474 -16.6474 -16.4634 -16.4634 -7.2436 -7.2436 -6.2983 -6.2983 -6.1954 -6.1954 -5.4379 -5.4379 -4.7001 -4.7001 -4.5406 -4.5406 5.5580 5.5580 6.0534 6.0534 6.8513 6.8513 7.3396 7.3396 7.4746 7.4746 8.0093 8.0093 8.3015 8.3015 8.9870 8.9870 9.2809 9.2809 15.6695 15.6695 16.3242 16.3242 16.5839 16.5839 16.9290 16.9290 k = 0.0000 0.5000 0.2776 ( 2560 PWs) bands (ev): -49.5107 -49.5107 -23.9927 -23.9927 -23.2386 -23.2386 -16.6506 -16.6506 -16.4671 -16.4671 -7.2231 -7.2231 -6.2913 -6.2913 -6.2030 -6.2030 -5.4265 -5.4265 -4.6926 -4.6926 -4.5399 -4.5399 5.5541 5.5541 6.0010 6.0010 6.7627 6.7627 7.3247 7.3247 7.4506 7.4506 8.0277 8.0277 8.2873 8.2873 8.9798 8.9798 9.3276 9.3276 15.7527 15.7527 16.3630 16.3630 16.5934 16.5934 16.8988 16.8988 k = 0.0000 0.5000 0.2902 ( 2560 PWs) bands (ev): -49.5107 -49.5107 -23.9932 -23.9932 -23.2383 -23.2383 -16.6537 -16.6537 -16.4705 -16.4705 -7.2029 -7.2029 -6.2880 -6.2880 -6.2072 -6.2072 -5.4149 -5.4149 -4.6851 -4.6851 -4.5387 -4.5387 5.5498 5.5498 5.9511 5.9511 6.6736 6.6736 7.3101 7.3101 7.4278 7.4278 8.0457 8.0457 8.2761 8.2761 8.9731 8.9731 9.3716 9.3716 15.8344 15.8344 16.4015 16.4015 16.6046 16.6046 16.8695 16.8695 k = 0.0000 0.5000 0.3028 ( 2556 PWs) bands (ev): -49.5106 -49.5106 -23.9937 -23.9937 -23.2380 -23.2380 -16.6569 -16.6569 -16.4737 -16.4737 -7.1832 -7.1832 -6.2888 -6.2888 -6.2077 -6.2077 -5.4032 -5.4032 -4.6776 -4.6776 -4.5372 -4.5372 5.5450 5.5450 5.9039 5.9039 6.5854 6.5854 7.2959 7.2959 7.4060 7.4060 8.0633 8.0633 8.2675 8.2675 8.9669 8.9669 9.4128 9.4128 15.9141 15.9141 16.4386 16.4386 16.6185 16.6185 16.8414 16.8414 k = 0.0000 0.5000 0.3154 ( 2556 PWs) bands (ev): -49.5106 -49.5106 -23.9943 -23.9943 -23.2378 -23.2378 -16.6601 -16.6601 -16.4767 -16.4767 -7.1641 -7.1641 -6.2931 -6.2931 -6.2052 -6.2052 -5.3915 -5.3915 -4.6703 -4.6703 -4.5354 -4.5354 5.5395 5.5395 5.8593 5.8593 6.4992 6.4992 7.2821 7.2821 7.3853 7.3853 8.0804 8.0804 8.2610 8.2610 8.9612 8.9612 9.4512 9.4512 15.9911 15.9911 16.4725 16.4725 16.6364 16.6364 16.8145 16.8145 k = 0.0000 0.5000 0.3281 ( 2552 PWs) bands (ev): -49.5106 -49.5106 -23.9947 -23.9947 -23.2375 -23.2375 -16.6633 -16.6633 -16.4794 -16.4794 -7.1457 -7.1457 -6.2997 -6.2997 -6.2008 -6.2008 -5.3799 -5.3799 -4.6630 -4.6630 -4.5332 -4.5332 5.5333 5.5333 5.8176 5.8176 6.4161 6.4161 7.2690 7.2690 7.3658 7.3658 8.0967 8.0967 8.2561 8.2561 8.9559 8.9559 9.4868 9.4868 16.0648 16.0648 16.5016 16.5016 16.6594 16.6594 16.7892 16.7892 k = 0.0000 0.5000 0.3407 ( 2548 PWs) bands (ev): -49.5105 -49.5105 -23.9952 -23.9952 -23.2373 -23.2373 -16.6664 -16.6664 -16.4819 -16.4819 -7.1281 -7.1281 -6.3074 -6.3074 -6.1957 -6.1957 -5.3686 -5.3686 -4.6559 -4.6559 -4.5309 -4.5309 5.5264 5.5264 5.7788 5.7788 6.3372 6.3372 7.2565 7.2565 7.3474 7.3474 8.1123 8.1123 8.2527 8.2527 8.9511 8.9511 9.5196 9.5196 16.1345 16.1345 16.5250 16.5250 16.6876 16.6876 16.7658 16.7658 k = 0.0000 0.5000 0.3533 ( 2548 PWs) bands (ev): -49.5105 -49.5105 -23.9956 -23.9956 -23.2370 -23.2370 -16.6694 -16.6694 -16.4842 -16.4842 -7.1113 -7.1113 -6.3156 -6.3156 -6.1906 -6.1906 -5.3576 -5.3576 -4.6490 -4.6490 -4.5284 -4.5284 5.5186 5.5186 5.7428 5.7428 6.2633 6.2633 7.2447 7.2447 7.3302 7.3302 8.1269 8.1269 8.2503 8.2503 8.9467 8.9467 9.5496 9.5496 16.1998 16.1998 16.5434 16.5434 16.7175 16.7175 16.7471 16.7471 k = 0.0000 0.5000 0.3659 ( 2552 PWs) bands (ev): -49.5105 -49.5105 -23.9961 -23.9961 -23.2368 -23.2368 -16.6724 -16.6724 -16.4863 -16.4863 -7.0956 -7.0956 -6.3237 -6.3237 -6.1857 -6.1857 -5.3471 -5.3471 -4.6423 -4.6423 -4.5257 -4.5257 5.5098 5.5098 5.7098 5.7098 6.1952 6.1952 7.2337 7.2337 7.3143 7.3143 8.1406 8.1406 8.2487 8.2487 8.9428 8.9428 9.5767 9.5767 16.2599 16.2599 16.5582 16.5582 16.7177 16.7177 16.7626 16.7626 k = 0.0000 0.5000 0.3785 ( 2548 PWs) bands (ev): -49.5105 -49.5105 -23.9965 -23.9965 -23.2366 -23.2366 -16.6751 -16.6751 -16.4882 -16.4882 -7.0810 -7.0810 -6.3315 -6.3315 -6.1814 -6.1814 -5.3372 -5.3372 -4.6360 -4.6360 -4.5230 -4.5230 5.5001 5.5001 5.6797 5.6797 6.1336 6.1336 7.2235 7.2235 7.2998 7.2998 8.1531 8.1531 8.2479 8.2479 8.9394 8.9394 9.6011 9.6011 16.3141 16.3141 16.5708 16.5708 16.7006 16.7006 16.7981 16.7981 k = 0.0000 0.5000 0.3911 ( 2548 PWs) bands (ev): -49.5104 -49.5104 -23.9968 -23.9968 -23.2364 -23.2364 -16.6776 -16.6776 -16.4898 -16.4898 -7.0675 -7.0675 -6.3388 -6.3388 -6.1776 -6.1776 -5.3281 -5.3281 -4.6300 -4.6300 -4.5203 -4.5203 5.4895 5.4895 5.6526 5.6526 6.0788 6.0788 7.2143 7.2143 7.2866 7.2866 8.1645 8.1645 8.2476 8.2476 8.9363 8.9363 9.6228 9.6228 16.3617 16.3617 16.5825 16.5825 16.6842 16.6842 16.8344 16.8344 k = 0.0000 0.5000 0.4038 ( 2540 PWs) bands (ev): -49.5104 -49.5104 -23.9971 -23.9971 -23.2363 -23.2363 -16.6799 -16.6799 -16.4912 -16.4912 -7.0554 -7.0554 -6.3454 -6.3454 -6.1744 -6.1744 -5.3198 -5.3198 -4.6245 -4.6245 -4.5177 -4.5177 5.4783 5.4783 5.6287 5.6287 6.0313 6.0313 7.2060 7.2060 7.2748 7.2748 8.1746 8.1746 8.2478 8.2478 8.9337 8.9337 9.6419 9.6419 16.4021 16.4021 16.5943 16.5943 16.6695 16.6695 16.8691 16.8691 k = 0.0000 0.5000 0.4164 ( 2544 PWs) bands (ev): -49.5104 -49.5104 -23.9974 -23.9974 -23.2361 -23.2361 -16.6820 -16.6820 -16.4924 -16.4924 -7.0447 -7.0447 -6.3514 -6.3514 -6.1718 -6.1718 -5.3124 -5.3124 -4.6195 -4.6195 -4.5152 -4.5152 5.4668 5.4668 5.6078 5.6078 5.9910 5.9910 7.1987 7.1987 7.2645 7.2645 8.1833 8.1833 8.2482 8.2482 8.9314 8.9314 9.6582 9.6582 16.4348 16.4348 16.6067 16.6067 16.6568 16.6568 16.9011 16.9011 k = 0.0000 0.5000 0.4290 ( 2546 PWs) bands (ev): -49.5104 -49.5104 -23.9977 -23.9977 -23.2360 -23.2360 -16.6838 -16.6838 -16.4934 -16.4934 -7.0354 -7.0354 -6.3565 -6.3565 -6.1697 -6.1697 -5.3061 -5.3061 -4.6151 -4.6151 -4.5129 -4.5129 5.4556 5.4556 5.5900 5.5900 5.9579 5.9579 7.1924 7.1924 7.2557 7.2557 8.1907 8.1907 8.2489 8.2489 8.9295 8.9295 9.6720 9.6720 16.4598 16.4598 16.6196 16.6196 16.6461 16.6461 16.9295 16.9295 k = 0.0000 0.5000 0.4416 ( 2536 PWs) bands (ev): -49.5104 -49.5104 -23.9978 -23.9978 -23.2359 -23.2359 -16.6852 -16.6852 -16.4942 -16.4942 -7.0277 -7.0277 -6.3608 -6.3608 -6.1681 -6.1681 -5.3008 -5.3008 -4.6115 -4.6115 -4.5110 -4.5110 5.4451 5.4451 5.5754 5.5754 5.9316 5.9316 7.1872 7.1872 7.2485 7.2485 8.1967 8.1967 8.2496 8.2496 8.9280 8.9280 9.6833 9.6833 16.4778 16.4778 16.6323 16.6323 16.6379 16.6379 16.9537 16.9537 k = 0.0000 0.5000 0.4542 ( 2538 PWs) bands (ev): -49.5103 -49.5103 -23.9980 -23.9980 -23.2358 -23.2358 -16.6865 -16.6865 -16.4948 -16.4948 -7.0217 -7.0217 -6.3642 -6.3642 -6.1669 -6.1669 -5.2966 -5.2966 -4.6085 -4.6085 -4.5094 -4.5094 5.4361 5.4361 5.5640 5.5640 5.9117 5.9117 7.1832 7.1832 7.2429 7.2429 8.2013 8.2013 8.2503 8.2503 8.9268 8.9268 9.6920 9.6920 16.4900 16.4900 16.6307 16.6307 16.6447 16.6447 16.9731 16.9731 k = 0.0000 0.5000 0.4668 ( 2538 PWs) bands (ev): -49.5103 -49.5103 -23.9981 -23.9981 -23.2358 -23.2358 -16.6873 -16.6873 -16.4953 -16.4953 -7.0173 -7.0173 -6.3666 -6.3666 -6.1660 -6.1660 -5.2936 -5.2936 -4.6064 -4.6064 -4.5082 -4.5082 5.4292 5.4292 5.5559 5.5559 5.8979 5.8979 7.1803 7.1803 7.2388 7.2388 8.2046 8.2046 8.2509 8.2509 8.9260 8.9260 9.6982 9.6982 16.4977 16.4977 16.6262 16.6262 16.6540 16.6540 16.9873 16.9873 k = 0.0000 0.5000 0.4795 ( 2548 PWs) bands (ev): -49.5104 -49.5104 -23.9982 -23.9982 -23.2357 -23.2357 -16.6879 -16.6879 -16.4956 -16.4956 -7.0147 -7.0147 -6.3681 -6.3681 -6.1656 -6.1656 -5.2918 -5.2918 -4.6051 -4.6051 -4.5075 -4.5075 5.4248 5.4248 5.5510 5.5510 5.8898 5.8898 7.1785 7.1785 7.2364 7.2364 8.2065 8.2065 8.2513 8.2513 8.9255 8.9255 9.7019 9.7019 16.5018 16.5018 16.6235 16.6235 16.6600 16.6600 16.9959 16.9959 k = 0.0000 0.5000 0.4921 ( 2548 PWs) bands (ev): -49.5104 -49.5104 -23.9983 -23.9983 -23.2357 -23.2357 -16.6881 -16.6881 -16.4957 -16.4957 -7.0138 -7.0138 -6.3686 -6.3686 -6.1654 -6.1654 -5.2912 -5.2912 -4.6047 -4.6047 -4.5072 -4.5072 5.4233 5.4233 5.5494 5.5494 5.8871 5.8871 7.1779 7.1779 7.2356 7.2356 8.2071 8.2071 8.2515 8.2515 8.9253 8.9253 9.7031 9.7031 16.5032 16.5032 16.6227 16.6227 16.6621 16.6621 16.9988 16.9988 k = 0.5000 0.5000-0.0000 ( 2528 PWs) bands (ev): -49.5101 -49.5101 -24.0018 -24.0018 -23.2335 -23.2335 -16.7212 -16.7212 -16.4933 -16.4933 -6.6797 -6.6797 -6.4577 -6.4577 -6.3115 -6.3115 -5.3216 -5.3216 -4.5869 -4.5869 -4.4931 -4.4931 5.3876 5.3876 5.4658 5.4658 5.7503 5.7503 7.2370 7.2370 7.2654 7.2654 8.3224 8.3224 8.3445 8.3445 8.8730 8.8730 9.6136 9.6136 16.4083 16.4083 16.5638 16.5638 16.8434 16.8434 17.0072 17.0072 k = 0.5000 0.5000 0.0126 ( 2528 PWs) bands (ev): -49.5101 -49.5101 -24.0018 -24.0018 -23.2335 -23.2335 -16.7212 -16.7212 -16.4936 -16.4936 -6.6783 -6.6783 -6.4575 -6.4575 -6.3109 -6.3109 -5.3218 -5.3218 -4.5874 -4.5874 -4.4937 -4.4937 5.3877 5.3877 5.4668 5.4668 5.7503 5.7503 7.2337 7.2337 7.2619 7.2619 8.3263 8.3263 8.3487 8.3487 8.8671 8.8671 9.6137 9.6137 16.4089 16.4089 16.5642 16.5642 16.8428 16.8428 17.0088 17.0088 k = 0.5000 0.5000 0.0252 ( 2528 PWs) bands (ev): -49.5101 -49.5101 -24.0019 -24.0019 -23.2334 -23.2334 -16.7211 -16.7211 -16.4944 -16.4944 -6.6743 -6.6743 -6.4568 -6.4568 -6.3090 -6.3090 -5.3226 -5.3226 -4.5889 -4.5889 -4.4952 -4.4952 5.3879 5.3879 5.4701 5.4701 5.7504 5.7504 7.2240 7.2240 7.2515 7.2515 8.3378 8.3378 8.3610 8.3610 8.8496 8.8496 9.6140 9.6140 16.4106 16.4106 16.5654 16.5654 16.8411 16.8411 17.0134 17.0134 k = 0.5000 0.5000 0.0379 ( 2544 PWs) bands (ev): -49.5101 -49.5101 -24.0022 -24.0022 -23.2334 -23.2334 -16.7212 -16.7212 -16.4958 -16.4958 -6.6677 -6.6677 -6.4557 -6.4557 -6.3059 -6.3059 -5.3240 -5.3240 -4.5914 -4.5914 -4.4979 -4.4979 5.3881 5.3881 5.4755 5.4755 5.7506 5.7506 7.2084 7.2084 7.2347 7.2347 8.3562 8.3562 8.3810 8.3810 8.8208 8.8208 9.6145 9.6145 16.4134 16.4134 16.5674 16.5674 16.8382 16.8382 17.0211 17.0211 k = 0.5000 0.5000 0.0505 ( 2544 PWs) bands (ev): -49.5101 -49.5101 -24.0024 -24.0024 -23.2333 -23.2333 -16.7211 -16.7211 -16.4978 -16.4978 -6.6586 -6.6586 -6.4542 -6.4542 -6.3014 -6.3014 -5.3258 -5.3258 -4.5948 -4.5948 -4.5015 -4.5015 5.3885 5.3885 5.4830 5.4830 5.7508 5.7508 7.1875 7.1875 7.2124 7.2124 8.3808 8.3808 8.4080 8.4080 8.7813 8.7813 9.6152 9.6152 16.4172 16.4172 16.5701 16.5701 16.8341 16.8341 17.0318 17.0318 k = 0.5000 0.5000 0.0631 ( 2544 PWs) bands (ev): -49.5100 -49.5100 -24.0026 -24.0026 -23.2331 -23.2331 -16.7209 -16.7209 -16.5003 -16.5003 -6.6470 -6.6470 -6.4522 -6.4522 -6.2956 -6.2956 -5.3281 -5.3281 -4.5992 -4.5992 -4.5062 -4.5062 5.3889 5.3889 5.4926 5.4926 5.7512 5.7512 7.1620 7.1620 7.1852 7.1852 8.4100 8.4100 8.4409 8.4409 8.7321 8.7321 9.6161 9.6161 16.4219 16.4219 16.5734 16.5734 16.8286 16.8286 17.0456 17.0456 k = 0.5000 0.5000 0.0757 ( 2540 PWs) bands (ev): -49.5100 -49.5100 -24.0029 -24.0029 -23.2330 -23.2330 -16.7207 -16.7207 -16.5033 -16.5033 -6.6332 -6.6332 -6.4497 -6.4497 -6.2884 -6.2884 -5.3309 -5.3309 -4.6045 -4.6045 -4.5118 -4.5118 5.3894 5.3894 5.5042 5.5042 5.7515 5.7515 7.1329 7.1329 7.1542 7.1542 8.4414 8.4414 8.4790 8.4790 8.6757 8.6757 9.6172 9.6172 16.4274 16.4274 16.5772 16.5772 16.8216 16.8216 17.0623 17.0623 k = 0.5000 0.5000 0.0883 ( 2540 PWs) bands (ev): -49.5100 -49.5100 -24.0032 -24.0032 -23.2328 -23.2328 -16.7205 -16.7205 -16.5068 -16.5068 -6.6173 -6.6173 -6.4469 -6.4469 -6.2796 -6.2796 -5.3342 -5.3342 -4.6107 -4.6107 -4.5184 -4.5184 5.3900 5.3900 5.5176 5.5176 5.7520 5.7520 7.1008 7.1008 7.1201 7.1201 8.4672 8.4672 8.5213 8.5213 8.6195 8.6195 9.6184 9.6184 16.4335 16.4335 16.5812 16.5812 16.8131 16.8131 17.0820 17.0820 k = 0.5000 0.5000 0.1009 ( 2540 PWs) bands (ev): -49.5100 -49.5100 -24.0036 -24.0036 -23.2326 -23.2326 -16.7202 -16.7202 -16.5108 -16.5108 -6.5995 -6.5995 -6.4437 -6.4437 -6.2692 -6.2692 -5.3379 -5.3379 -4.6177 -4.6177 -4.5259 -4.5259 5.3907 5.3907 5.5330 5.5330 5.7526 5.7526 7.0665 7.0665 7.0837 7.0837 8.4587 8.4587 8.5671 8.5671 8.5925 8.5925 9.6198 9.6198 16.4400 16.4400 16.5852 16.5852 16.8030 16.8030 17.1047 17.1047 k = 0.5000 0.5000 0.1136 ( 2540 PWs) bands (ev): -49.5100 -49.5100 -24.0041 -24.0041 -23.2323 -23.2323 -16.7199 -16.7199 -16.5152 -16.5152 -6.5801 -6.5801 -6.4400 -6.4400 -6.2571 -6.2571 -5.3419 -5.3419 -4.6256 -4.6256 -4.5344 -4.5344 5.3914 5.3914 5.5500 5.5500 5.7532 5.7532 7.0306 7.0306 7.0456 7.0456 8.3962 8.3962 8.6144 8.6144 8.6156 8.6156 9.6214 9.6214 16.4467 16.4467 16.5891 16.5891 16.7913 16.7913 17.1301 17.1301 k = 0.5000 0.5000 0.1262 ( 2532 PWs) bands (ev): -49.5099 -49.5099 -24.0044 -24.0044 -23.2321 -23.2321 -16.7196 -16.7196 -16.5199 -16.5199 -6.5594 -6.5594 -6.4361 -6.4361 -6.2431 -6.2431 -5.3463 -5.3463 -4.6343 -4.6343 -4.5437 -4.5437 5.3920 5.3920 5.5686 5.5686 5.7540 5.7540 6.9935 6.9935 7.0064 7.0064 8.3092 8.3092 8.6559 8.6559 8.6662 8.6662 9.6231 9.6231 16.4533 16.4533 16.5925 16.5925 16.7780 16.7780 17.1584 17.1584 k = 0.5000 0.5000 0.1388 ( 2540 PWs) bands (ev): -49.5099 -49.5099 -24.0050 -24.0050 -23.2318 -23.2318 -16.7193 -16.7193 -16.5252 -16.5252 -6.5377 -6.5377 -6.4317 -6.4317 -6.2271 -6.2271 -5.3510 -5.3510 -4.6438 -4.6438 -4.5537 -4.5537 5.3927 5.3927 5.5887 5.5887 5.7549 5.7549 6.9559 6.9559 6.9666 6.9666 8.2115 8.2115 8.7038 8.7038 8.7185 8.7185 9.6250 9.6250 16.4595 16.4595 16.5952 16.5952 16.7631 16.7631 17.1893 17.1893 k = 0.5000 0.5000 0.1514 ( 2540 PWs) bands (ev): -49.5099 -49.5099 -24.0056 -24.0056 -23.2315 -23.2315 -16.7189 -16.7189 -16.5307 -16.5307 -6.5155 -6.5155 -6.4271 -6.4271 -6.2088 -6.2088 -5.3560 -5.3560 -4.6540 -4.6540 -4.5646 -4.5646 5.3934 5.3934 5.6100 5.6100 5.7561 5.7561 6.9179 6.9179 6.9265 6.9265 8.1068 8.1068 8.7546 8.7546 8.7718 8.7718 9.6270 9.6270 16.4650 16.4650 16.5969 16.5969 16.7467 16.7467 17.2228 17.2228 k = 0.5000 0.5000 0.1640 ( 2532 PWs) bands (ev): -49.5099 -49.5099 -24.0061 -24.0061 -23.2312 -23.2312 -16.7185 -16.7185 -16.5364 -16.5364 -6.4929 -6.4929 -6.4221 -6.4221 -6.1882 -6.1882 -5.3612 -5.3612 -4.6648 -4.6648 -4.5762 -4.5762 5.3940 5.3940 5.6323 5.6323 5.7575 5.7575 6.8800 6.8800 6.8865 6.8865 7.9971 7.9971 8.8070 8.8070 8.8260 8.8260 9.6291 9.6291 16.4695 16.4695 16.5971 16.5971 16.7290 16.7290 17.2588 17.2588 k = 0.5000 0.5000 0.1766 ( 2532 PWs) bands (ev): -49.5098 -49.5098 -24.0067 -24.0067 -23.2308 -23.2308 -16.7181 -16.7181 -16.5425 -16.5425 -6.4704 -6.4704 -6.4169 -6.4169 -6.1651 -6.1651 -5.3665 -5.3665 -4.6762 -4.6762 -4.5884 -4.5884 5.3944 5.3944 5.6554 5.6554 5.7594 5.7594 6.8423 6.8423 6.8468 6.8468 7.8835 7.8835 8.8604 8.8604 8.8805 8.8805 9.6314 9.6314 16.4727 16.4727 16.5957 16.5957 16.7101 16.7101 17.2970 17.2970 k = 0.5000 0.5000 0.1893 ( 2540 PWs) bands (ev): -49.5098 -49.5098 -24.0074 -24.0074 -23.2305 -23.2305 -16.7177 -16.7177 -16.5488 -16.5488 -6.4483 -6.4483 -6.4115 -6.4115 -6.1394 -6.1394 -5.3720 -5.3720 -4.6882 -4.6882 -4.6011 -4.6011 5.3948 5.3948 5.6785 5.6785 5.7622 5.7622 6.8051 6.8051 6.8076 6.8076 7.7670 7.7670 8.9142 8.9142 8.9351 8.9351 9.6337 9.6337 16.4741 16.4741 16.5924 16.5924 16.6901 16.6901 17.3372 17.3372 k = 0.5000 0.5000 0.2019 ( 2540 PWs) bands (ev): -49.5098 -49.5098 -24.0080 -24.0080 -23.2302 -23.2302 -16.7173 -16.7173 -16.5553 -16.5553 -6.4268 -6.4268 -6.4058 -6.4058 -6.1112 -6.1112 -5.3776 -5.3776 -4.7006 -4.7006 -4.6144 -4.6144 5.3950 5.3950 5.7008 5.7008 5.7667 5.7667 6.7687 6.7687 6.7692 6.7692 7.6487 7.6487 8.9681 8.9681 8.9894 8.9894 9.6361 9.6361 16.4736 16.4736 16.5868 16.5868 16.6692 16.6692 17.3791 17.3791 k = 0.5000 0.5000 0.2145 ( 2540 PWs) bands (ev): -49.5097 -49.5097 -24.0087 -24.0087 -23.2298 -23.2298 -16.7168 -16.7168 -16.5619 -16.5619 -6.4061 -6.4061 -6.4000 -6.4000 -6.0806 -6.0806 -5.3831 -5.3831 -4.7135 -4.7135 -4.6282 -4.6282 5.3949 5.3949 5.7202 5.7202 5.7749 5.7749 6.7318 6.7318 6.7330 6.7330 7.5294 7.5294 9.0218 9.0218 9.0433 9.0433 9.6385 9.6385 16.4707 16.4707 16.5787 16.5787 16.6476 16.6476 17.4224 17.4224 k = 0.5000 0.5000 0.2271 ( 2552 PWs) bands (ev): -49.5097 -49.5097 -24.0095 -24.0095 -23.2294 -23.2294 -16.7164 -16.7164 -16.5687 -16.5687 -6.3941 -6.3941 -6.3863 -6.3863 -6.0478 -6.0478 -5.3887 -5.3887 -4.7267 -4.7267 -4.6423 -4.6423 5.3946 5.3946 5.7340 5.7340 5.7891 5.7891 6.6953 6.6953 6.6983 6.6983 7.4099 7.4099 9.0749 9.0749 9.0965 9.0965 9.6410 9.6410 16.4653 16.4653 16.5681 16.5681 16.6255 16.6255 17.4665 17.4665 k = 0.5000 0.5000 0.2397 ( 2544 PWs) bands (ev): -49.5097 -49.5097 -24.0101 -24.0101 -23.2291 -23.2291 -16.7159 -16.7159 -16.5754 -16.5754 -6.3880 -6.3880 -6.3674 -6.3674 -6.0130 -6.0130 -5.3942 -5.3942 -4.7402 -4.7402 -4.6566 -4.6566 5.3939 5.3939 5.7420 5.7420 5.8094 5.8094 6.6601 6.6601 6.6647 6.6647 7.2912 7.2912 9.1272 9.1272 9.1488 9.1488 9.6436 9.6436 16.4573 16.4573 16.5549 16.5549 16.6030 16.6030 17.5106 17.5106 k = 0.5000 0.5000 0.2523 ( 2544 PWs) bands (ev): -49.5096 -49.5096 -24.0108 -24.0108 -23.2287 -23.2287 -16.7154 -16.7154 -16.5821 -16.5821 -6.3818 -6.3818 -6.3493 -6.3493 -5.9766 -5.9766 -5.3995 -5.3995 -4.7538 -4.7538 -4.6712 -4.6712 5.3928 5.3928 5.7465 5.7465 5.8333 5.8333 6.6261 6.6261 6.6321 6.6321 7.1739 7.1739 9.1785 9.1785 9.1999 9.1999 9.6461 9.6461 16.4467 16.4467 16.5393 16.5393 16.5803 16.5803 17.5540 17.5540 k = 0.5000 0.5000 0.2650 ( 2544 PWs) bands (ev): -49.5096 -49.5096 -24.0115 -24.0115 -23.2283 -23.2283 -16.7150 -16.7150 -16.5887 -16.5887 -6.3757 -6.3757 -6.3321 -6.3321 -5.9390 -5.9390 -5.4047 -5.4047 -4.7676 -4.7676 -4.6859 -4.6859 5.3913 5.3913 5.7494 5.7494 5.8589 5.8589 6.5935 6.5935 6.6007 6.6007 7.0589 7.0589 9.2286 9.2286 9.2497 9.2497 9.6487 9.6487 16.4335 16.4335 16.5212 16.5212 16.5576 16.5576 17.5953 17.5953 k = 0.5000 0.5000 0.2776 ( 2544 PWs) bands (ev): -49.5096 -49.5096 -24.0121 -24.0121 -23.2279 -23.2279 -16.7145 -16.7145 -16.5953 -16.5953 -6.3696 -6.3696 -6.3157 -6.3157 -5.9006 -5.9006 -5.4097 -5.4097 -4.7814 -4.7814 -4.7006 -4.7006 5.3892 5.3892 5.7513 5.7513 5.8852 5.8852 6.5624 6.5624 6.5704 6.5704 6.9470 6.9470 9.2772 9.2772 9.2979 9.2979 9.6512 9.6512 16.4180 16.4180 16.5011 16.5011 16.5348 16.5348 17.6329 17.6329 k = 0.5000 0.5000 0.2902 ( 2536 PWs) bands (ev): -49.5095 -49.5095 -24.0127 -24.0127 -23.2276 -23.2276 -16.7140 -16.7140 -16.6017 -16.6017 -6.3635 -6.3635 -6.3001 -6.3001 -5.8617 -5.8617 -5.4144 -5.4144 -4.7952 -4.7952 -4.7151 -4.7151 5.3865 5.3865 5.7528 5.7528 5.9115 5.9115 6.5328 6.5328 6.5411 6.5411 6.8391 6.8391 9.3242 9.3242 9.3444 9.3444 9.6537 9.6537 16.4004 16.4004 16.4791 16.4791 16.5122 16.5122 17.6651 17.6651 k = 0.5000 0.5000 0.3028 ( 2520 PWs) bands (ev): -49.5095 -49.5095 -24.0132 -24.0132 -23.2272 -23.2272 -16.7135 -16.7135 -16.6078 -16.6078 -6.3575 -6.3575 -6.2852 -6.2852 -5.8228 -5.8228 -5.4189 -5.4189 -4.8088 -4.8088 -4.7295 -4.7295 5.3831 5.3831 5.7541 5.7541 5.9375 5.9375 6.5047 6.5047 6.5125 6.5125 6.7363 6.7363 9.3694 9.3694 9.3891 9.3891 9.6561 9.6561 16.3812 16.3812 16.4558 16.4558 16.4899 16.4899 17.6905 17.6905 k = 0.5000 0.5000 0.3154 ( 2520 PWs) bands (ev): -49.5094 -49.5094 -24.0138 -24.0138 -23.2269 -23.2269 -16.7131 -16.7131 -16.6138 -16.6138 -6.3517 -6.3517 -6.2711 -6.2711 -5.7842 -5.7842 -5.4231 -5.4231 -4.8222 -4.8222 -4.7437 -4.7437 5.3788 5.3788 5.7551 5.7551 5.9628 5.9628 6.4783 6.4783 6.4837 6.4837 6.6401 6.6401 9.4125 9.4125 9.4317 9.4317 9.6585 9.6585 16.3607 16.3607 16.4315 16.4315 16.4682 16.4682 17.7085 17.7085 k = 0.5000 0.5000 0.3281 ( 2520 PWs) bands (ev): -49.5094 -49.5094 -24.0144 -24.0144 -23.2265 -23.2265 -16.7126 -16.7126 -16.6196 -16.6196 -6.3460 -6.3460 -6.2576 -6.2576 -5.7464 -5.7464 -5.4269 -5.4269 -4.8352 -4.8352 -4.7574 -4.7574 5.3737 5.3737 5.7560 5.7560 5.9874 5.9874 6.4514 6.4514 6.4536 6.4536 6.5544 6.5544 9.4535 9.4535 9.4721 9.4721 9.6608 9.6608 16.3393 16.3393 16.4067 16.4067 16.4470 16.4470 17.7195 17.7195 k = 0.5000 0.5000 0.3407 ( 2520 PWs) bands (ev): -49.5094 -49.5094 -24.0150 -24.0150 -23.2262 -23.2262 -16.7122 -16.7122 -16.6252 -16.6252 -6.3406 -6.3406 -6.2449 -6.2449 -5.7098 -5.7098 -5.4304 -5.4304 -4.8478 -4.8478 -4.7706 -4.7706 5.3676 5.3676 5.7568 5.7568 6.0109 6.0109 6.4065 6.4065 6.4306 6.4306 6.4890 6.4890 9.4922 9.4922 9.5102 9.5102 9.6630 9.6630 16.3174 16.3174 16.3817 16.3817 16.4268 16.4268 17.7249 17.7249 k = 0.5000 0.5000 0.3533 ( 2520 PWs) bands (ev): -49.5093 -49.5093 -24.0155 -24.0155 -23.2259 -23.2259 -16.7119 -16.7119 -16.6304 -16.6304 -6.3355 -6.3355 -6.2329 -6.2329 -5.6746 -5.6746 -5.4336 -5.4336 -4.8599 -4.8599 -4.7832 -4.7832 5.3605 5.3605 5.7575 5.7575 6.0332 6.0332 6.3438 6.3438 6.4094 6.4094 6.4497 6.4497 9.5283 9.5283 9.5458 9.5458 9.6652 9.6652 16.2955 16.2955 16.3571 16.3571 16.4076 16.4076 17.7261 17.7261 k = 0.5000 0.5000 0.3659 ( 2520 PWs) bands (ev): -49.5093 -49.5093 -24.0161 -24.0161 -23.2256 -23.2256 -16.7115 -16.7115 -16.6353 -16.6353 -6.3306 -6.3306 -6.2217 -6.2217 -5.6412 -5.6412 -5.4365 -5.4365 -4.8714 -4.8714 -4.7951 -4.7951 5.3524 5.3524 5.7581 5.7581 6.0541 6.0541 6.2762 6.2762 6.3900 6.3900 6.4240 6.4240 9.5618 9.5618 9.5787 9.5787 9.6673 9.6673 16.2740 16.2740 16.3333 16.3333 16.3896 16.3896 17.7243 17.7243 k = 0.5000 0.5000 0.3785 ( 2520 PWs) bands (ev): -49.5093 -49.5093 -24.0165 -24.0165 -23.2254 -23.2254 -16.7112 -16.7112 -16.6397 -16.6397 -6.3261 -6.3261 -6.2113 -6.2113 -5.6100 -5.6100 -5.4389 -5.4389 -4.8822 -4.8822 -4.8062 -4.8062 5.3434 5.3434 5.7587 5.7587 6.0734 6.0734 6.2121 6.2121 6.3725 6.3725 6.4039 6.4039 9.5924 9.5924 9.6090 9.6090 9.6693 9.6693 16.2532 16.2532 16.3105 16.3105 16.3729 16.3729 17.7206 17.7206 k = 0.5000 0.5000 0.3911 ( 2532 PWs) bands (ev): -49.5093 -49.5093 -24.0171 -24.0171 -23.2252 -23.2252 -16.7110 -16.7110 -16.6439 -16.6439 -6.3220 -6.3220 -6.2018 -6.2018 -5.5813 -5.5813 -5.4411 -5.4411 -4.8922 -4.8922 -4.8164 -4.8164 5.3337 5.3337 5.7592 5.7592 6.0911 6.0911 6.1541 6.1541 6.3568 6.3568 6.3871 6.3871 9.6200 9.6200 9.6363 9.6363 9.6714 9.6714 16.2335 16.2335 16.2893 16.2893 16.3578 16.3578 17.7157 17.7157 k = 0.5000 0.5000 0.4038 ( 2540 PWs) bands (ev): -49.5093 -49.5093 -24.0176 -24.0176 -23.2249 -23.2249 -16.7109 -16.7109 -16.6475 -16.6475 -6.3183 -6.3183 -6.1933 -6.1933 -5.5552 -5.5552 -5.4429 -5.4429 -4.9012 -4.9012 -4.8256 -4.8256 5.3234 5.3234 5.7596 5.7596 6.1032 6.1032 6.1068 6.1068 6.3430 6.3430 6.3726 6.3726 9.6438 9.6438 9.6608 9.6608 9.6740 9.6740 16.2153 16.2153 16.2698 16.2698 16.3442 16.3442 17.7103 17.7103 k = 0.5000 0.5000 0.4164 ( 2540 PWs) bands (ev): -49.5093 -49.5093 -24.0179 -24.0179 -23.2248 -23.2248 -16.7106 -16.7106 -16.6508 -16.6508 -6.3150 -6.3150 -6.1857 -6.1857 -5.5322 -5.5322 -5.4444 -5.4444 -4.9092 -4.9092 -4.8337 -4.8337 5.3131 5.3131 5.7600 5.7600 6.0597 6.0597 6.1207 6.1207 6.3311 6.3311 6.3603 6.3603 9.6618 9.6618 9.6792 9.6792 9.6821 9.6821 16.1989 16.1989 16.2523 16.2523 16.3322 16.3322 17.7049 17.7049 k = 0.5000 0.5000 0.4290 ( 2524 PWs) bands (ev): -49.5092 -49.5092 -24.0180 -24.0180 -23.2246 -23.2246 -16.7103 -16.7103 -16.6534 -16.6534 -6.3122 -6.3122 -6.1792 -6.1792 -5.5123 -5.5123 -5.4457 -5.4457 -4.9162 -4.9162 -4.8406 -4.8406 5.3030 5.3030 5.7603 5.7603 6.0235 6.0235 6.1325 6.1325 6.3211 6.3211 6.3500 6.3500 9.6697 9.6697 9.6910 9.6910 9.7003 9.7003 16.1845 16.1845 16.2372 16.2372 16.3221 16.3221 17.6997 17.6997 k = 0.5000 0.5000 0.4416 ( 2524 PWs) bands (ev): -49.5092 -49.5092 -24.0183 -24.0183 -23.2245 -23.2245 -16.7102 -16.7102 -16.6557 -16.6557 -6.3099 -6.3099 -6.1738 -6.1738 -5.4958 -5.4958 -5.4466 -5.4466 -4.9220 -4.9220 -4.8464 -4.8464 5.2938 5.2938 5.7606 5.7606 5.9944 5.9944 6.1421 6.1421 6.3130 6.3130 6.3416 6.3416 9.6724 9.6724 9.7047 9.7047 9.7153 9.7153 16.1724 16.1724 16.2245 16.2245 16.3137 16.3137 17.6952 17.6952 k = 0.5000 0.5000 0.4542 ( 2524 PWs) bands (ev): -49.5092 -49.5092 -24.0185 -24.0185 -23.2244 -23.2244 -16.7101 -16.7101 -16.6574 -16.6574 -6.3081 -6.3081 -6.1696 -6.1696 -5.4828 -5.4828 -5.4474 -5.4474 -4.9266 -4.9266 -4.8509 -4.8509 5.2860 5.2860 5.7608 5.7608 5.9722 5.9722 6.1496 6.1496 6.3068 6.3068 6.3351 6.3351 9.6737 9.6737 9.7161 9.7161 9.7271 9.7271 16.1629 16.1629 16.2145 16.2145 16.3071 16.3071 17.6914 17.6914 k = 0.5000 0.5000 0.4668 ( 2520 PWs) bands (ev): -49.5092 -49.5092 -24.0186 -24.0186 -23.2243 -23.2243 -16.7099 -16.7099 -16.6587 -16.6587 -6.3067 -6.3067 -6.1665 -6.1665 -5.4734 -5.4734 -5.4479 -5.4479 -4.9299 -4.9299 -4.8542 -4.8542 5.2800 5.2800 5.7609 5.7609 5.9566 5.9566 6.1550 6.1550 6.3024 6.3024 6.3304 6.3304 9.6745 9.6745 9.7245 9.7245 9.7355 9.7355 16.1559 16.1559 16.2073 16.2073 16.3023 16.3023 17.6886 17.6886 k = 0.5000 0.5000 0.4795 ( 2520 PWs) bands (ev): -49.5092 -49.5092 -24.0187 -24.0187 -23.2242 -23.2242 -16.7099 -16.7099 -16.6595 -16.6595 -6.3059 -6.3059 -6.1646 -6.1646 -5.4678 -5.4678 -5.4482 -5.4482 -4.9319 -4.9319 -4.8561 -4.8561 5.2763 5.2763 5.7610 5.7610 5.9474 5.9474 6.1582 6.1582 6.2998 6.2998 6.3277 6.3277 9.6750 9.6750 9.7295 9.7295 9.7406 9.7406 16.1517 16.1517 16.2029 16.2029 16.2995 16.2995 17.6869 17.6869 k = 0.5000 0.5000 0.4921 ( 2520 PWs) bands (ev): -49.5092 -49.5092 -24.0187 -24.0187 -23.2242 -23.2242 -16.7099 -16.7099 -16.6597 -16.6597 -6.3057 -6.3057 -6.1640 -6.1640 -5.4659 -5.4659 -5.4483 -5.4483 -4.9326 -4.9326 -4.8568 -4.8568 5.2750 5.2750 5.7610 5.7610 5.9443 5.9443 6.1593 6.1593 6.2989 6.2989 6.3267 6.3267 9.6751 9.6751 9.7312 9.7312 9.7423 9.7423 16.1503 16.1503 16.2014 16.2014 16.2986 16.2986 17.6863 17.6863 Writing output data file SrHfO3.save init_run : 2.90s CPU 12.14s WALL ( 1 calls) electrons : 365.61s CPU 378.00s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 7.16s WALL ( 1 calls) potinit : 0.01s CPU 1.79s WALL ( 1 calls) Called by electrons: c_bands : 365.60s CPU 377.98s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 392 calls) cegterg : 324.74s CPU 329.87s WALL ( 881 calls) Called by sum_band: Called by *egterg: h_psi : 135.98s CPU 138.84s WALL ( 16379 calls) s_psi : 18.55s CPU 18.69s WALL ( 16379 calls) g_psi : 0.34s CPU 0.38s WALL ( 15106 calls) cdiaghg : 139.23s CPU 141.21s WALL ( 15498 calls) cegterg:over : 16.17s CPU 16.56s WALL ( 15106 calls) cegterg:upda : 12.56s CPU 12.53s WALL ( 15106 calls) cegterg:last : 7.92s CPU 7.93s WALL ( 2524 calls) cdiaghg:chol : 6.53s CPU 6.85s WALL ( 15498 calls) cdiaghg:inve : 5.22s CPU 5.10s WALL ( 15498 calls) cdiaghg:para : 12.10s CPU 12.17s WALL ( 30996 calls) Called by h_psi: h_psi:vloc : 113.04s CPU 115.42s WALL ( 16379 calls) h_psi:vnl : 22.57s CPU 23.07s WALL ( 16379 calls) add_vuspsi : 11.39s CPU 11.55s WALL ( 16379 calls) General routines calbec : 11.09s CPU 11.46s WALL ( 16379 calls) fft : 0.00s CPU 0.02s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 106.08s CPU 108.22s WALL ( 1441404 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.14s CPU 0.53s WALL ( 784 calls) Parallel routines fft_scatter : 52.55s CPU 53.80s WALL ( 1441427 calls) PWSCF : 6m42.57s CPU 23m11.52s WALL This run was terminated on: 17:51:41 3Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=