Program PWSCF v.5.1.1 starts on 12Oct2015 at 7:26:52 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: ./ZrGaAu.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 40 19 5 2260 723 111 Max 41 20 6 2271 742 122 Sum 1957 931 265 108779 35295 5563 bravais-lattice index = 14 lattice parameter (alat) = 8.2093 a.u. unit-cell volume = 738.3214 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.209348 celldm(2)= 1.000000 celldm(3)= 1.540951 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.540951 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.648950 ) PseudoPot. # 1 for Zr read from file: /home/autes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Ga read from file: /home/autes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /home/autes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Ga 13.00 69.72300 Ga( 1.00) Au 11.00 196.96660 Au( 1.00) 12 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 [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 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 = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 -6 -5 -2 5 6 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 11 -12 -11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 313 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0119048 0.0068732 -0.0000000), wk = 0.0031949 k( 3) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0031949 k( 4) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0031949 k( 5) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0031949 k( 6) = ( 0.0595238 0.0343661 -0.0000000), wk = 0.0031949 k( 7) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0031949 k( 8) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0031949 k( 9) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0031949 k( 10) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0031949 k( 11) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0031949 k( 12) = ( 0.1309524 0.0756054 -0.0000000), wk = 0.0031949 k( 13) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0031949 k( 14) = ( 0.1547619 0.0893518 -0.0000000), wk = 0.0031949 k( 15) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0031949 k( 16) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0031949 k( 17) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0031949 k( 18) = ( 0.2023810 0.1168447 -0.0000000), wk = 0.0031949 k( 19) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0031949 k( 20) = ( 0.2261905 0.1305911 -0.0000000), wk = 0.0031949 k( 21) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0031949 k( 22) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0031949 k( 23) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0031949 k( 24) = ( 0.2738095 0.1580840 -0.0000000), wk = 0.0031949 k( 25) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0031949 k( 26) = ( 0.2976190 0.1718304 -0.0000000), wk = 0.0031949 k( 27) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0031949 k( 28) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0031949 k( 29) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0031949 k( 30) = ( 0.3452381 0.1993233 -0.0000000), wk = 0.0031949 k( 31) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0031949 k( 32) = ( 0.3690476 0.2130697 -0.0000000), wk = 0.0031949 k( 33) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0031949 k( 34) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0031949 k( 35) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0031949 k( 36) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0031949 k( 37) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0031949 k( 38) = ( 0.4404762 0.2543090 -0.0000000), wk = 0.0031949 k( 39) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0031949 k( 40) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0031949 k( 41) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0031949 k( 42) = ( 0.4880952 0.2818019 -0.0000000), wk = 0.0031949 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031949 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031949 k( 45) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0031949 k( 46) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0031949 k( 47) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0031949 k( 48) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0031949 k( 49) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0031949 k( 50) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0031949 k( 51) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0031949 k( 52) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0031949 k( 53) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0031949 k( 54) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0031949 k( 55) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0031949 k( 56) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0031949 k( 57) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0031949 k( 58) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0031949 k( 59) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0031949 k( 60) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0031949 k( 61) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0031949 k( 62) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0031949 k( 63) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0031949 k( 64) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0031949 k( 65) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0031949 k( 66) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0031949 k( 67) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0031949 k( 68) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0031949 k( 69) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031949 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031949 k( 71) = ( 0.3265306 0.5655676 -0.0000000), wk = 0.0031949 k( 72) = ( 0.3197279 0.5537850 -0.0000000), wk = 0.0031949 k( 73) = ( 0.3129252 0.5420023 -0.0000000), wk = 0.0031949 k( 74) = ( 0.3061224 0.5302196 -0.0000000), wk = 0.0031949 k( 75) = ( 0.2993197 0.5184370 -0.0000000), wk = 0.0031949 k( 76) = ( 0.2925170 0.5066543 -0.0000000), wk = 0.0031949 k( 77) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0031949 k( 78) = ( 0.2789116 0.4830890 -0.0000000), wk = 0.0031949 k( 79) = ( 0.2721088 0.4713063 -0.0000000), wk = 0.0031949 k( 80) = ( 0.2653061 0.4595237 -0.0000000), wk = 0.0031949 k( 81) = ( 0.2585034 0.4477410 -0.0000000), wk = 0.0031949 k( 82) = ( 0.2517007 0.4359584 -0.0000000), wk = 0.0031949 k( 83) = ( 0.2448980 0.4241757 -0.0000000), wk = 0.0031949 k( 84) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0031949 k( 85) = ( 0.2312925 0.4006104 -0.0000000), wk = 0.0031949 k( 86) = ( 0.2244898 0.3888277 -0.0000000), wk = 0.0031949 k( 87) = ( 0.2176871 0.3770451 -0.0000000), wk = 0.0031949 k( 88) = ( 0.2108843 0.3652624 -0.0000000), wk = 0.0031949 k( 89) = ( 0.2040816 0.3534798 -0.0000000), wk = 0.0031949 k( 90) = ( 0.1972789 0.3416971 -0.0000000), wk = 0.0031949 k( 91) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0031949 k( 92) = ( 0.1836735 0.3181318 -0.0000000), wk = 0.0031949 k( 93) = ( 0.1768707 0.3063491 -0.0000000), wk = 0.0031949 k( 94) = ( 0.1700680 0.2945665 -0.0000000), wk = 0.0031949 k( 95) = ( 0.1632653 0.2827838 -0.0000000), wk = 0.0031949 k( 96) = ( 0.1564626 0.2710012 -0.0000000), wk = 0.0031949 k( 97) = ( 0.1496599 0.2592185 -0.0000000), wk = 0.0031949 k( 98) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0031949 k( 99) = ( 0.1360544 0.2356532 -0.0000000), wk = 0.0031949 k( 100) = ( 0.1292517 0.2238705 -0.0000000), wk = 0.0031949 k( 101) = ( 0.1224490 0.2120879 -0.0000000), wk = 0.0031949 k( 102) = ( 0.1156463 0.2003052 -0.0000000), wk = 0.0031949 k( 103) = ( 0.1088435 0.1885225 -0.0000000), wk = 0.0031949 k( 104) = ( 0.1020408 0.1767399 -0.0000000), wk = 0.0031949 k( 105) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0031949 k( 106) = ( 0.0884354 0.1531746 -0.0000000), wk = 0.0031949 k( 107) = ( 0.0816327 0.1413919 -0.0000000), wk = 0.0031949 k( 108) = ( 0.0748299 0.1296092 -0.0000000), wk = 0.0031949 k( 109) = ( 0.0680272 0.1178266 -0.0000000), wk = 0.0031949 k( 110) = ( 0.0612245 0.1060439 -0.0000000), wk = 0.0031949 k( 111) = ( 0.0544218 0.0942613 -0.0000000), wk = 0.0031949 k( 112) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0031949 k( 113) = ( 0.0408163 0.0706960 -0.0000000), wk = 0.0031949 k( 114) = ( 0.0340136 0.0589133 -0.0000000), wk = 0.0031949 k( 115) = ( 0.0272109 0.0471306 -0.0000000), wk = 0.0031949 k( 116) = ( 0.0204082 0.0353480 -0.0000000), wk = 0.0031949 k( 117) = ( 0.0136054 0.0235653 -0.0000000), wk = 0.0031949 k( 118) = ( 0.0068027 0.0117827 -0.0000000), wk = 0.0031949 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 121) = ( 0.0000000 0.0000000 0.0135198), wk = 0.0031949 k( 122) = ( 0.0000000 0.0000000 0.0270396), wk = 0.0031949 k( 123) = ( 0.0000000 0.0000000 0.0405594), wk = 0.0031949 k( 124) = ( 0.0000000 0.0000000 0.0540792), wk = 0.0031949 k( 125) = ( 0.0000000 0.0000000 0.0675989), wk = 0.0031949 k( 126) = ( 0.0000000 0.0000000 0.0811187), wk = 0.0031949 k( 127) = ( 0.0000000 0.0000000 0.0946385), wk = 0.0031949 k( 128) = ( 0.0000000 0.0000000 0.1081583), wk = 0.0031949 k( 129) = ( 0.0000000 0.0000000 0.1216781), wk = 0.0031949 k( 130) = ( 0.0000000 0.0000000 0.1351979), wk = 0.0031949 k( 131) = ( 0.0000000 0.0000000 0.1487177), wk = 0.0031949 k( 132) = ( 0.0000000 0.0000000 0.1622375), wk = 0.0031949 k( 133) = ( 0.0000000 0.0000000 0.1757572), wk = 0.0031949 k( 134) = ( 0.0000000 0.0000000 0.1892770), wk = 0.0031949 k( 135) = ( 0.0000000 0.0000000 0.2027968), wk = 0.0031949 k( 136) = ( 0.0000000 0.0000000 0.2163166), wk = 0.0031949 k( 137) = ( 0.0000000 0.0000000 0.2298364), wk = 0.0031949 k( 138) = ( 0.0000000 0.0000000 0.2433562), wk = 0.0031949 k( 139) = ( 0.0000000 0.0000000 0.2568760), wk = 0.0031949 k( 140) = ( 0.0000000 0.0000000 0.2703958), wk = 0.0031949 k( 141) = ( 0.0000000 0.0000000 0.2839156), wk = 0.0031949 k( 142) = ( 0.0000000 0.0000000 0.2974353), wk = 0.0031949 k( 143) = ( 0.0000000 0.0000000 0.3109551), wk = 0.0031949 k( 144) = ( 0.0000000 0.0000000 0.3244749), wk = 0.0031949 k( 145) = ( 0.0000000 0.0000000 0.3244749), wk = 0.0031949 k( 146) = ( 0.0119048 0.0068732 0.3244749), wk = 0.0031949 k( 147) = ( 0.0238095 0.0137464 0.3244749), wk = 0.0031949 k( 148) = ( 0.0357143 0.0206197 0.3244749), wk = 0.0031949 k( 149) = ( 0.0476191 0.0274929 0.3244749), wk = 0.0031949 k( 150) = ( 0.0595238 0.0343661 0.3244749), wk = 0.0031949 k( 151) = ( 0.0714286 0.0412393 0.3244749), wk = 0.0031949 k( 152) = ( 0.0833333 0.0481125 0.3244749), wk = 0.0031949 k( 153) = ( 0.0952381 0.0549857 0.3244749), wk = 0.0031949 k( 154) = ( 0.1071429 0.0618590 0.3244749), wk = 0.0031949 k( 155) = ( 0.1190476 0.0687322 0.3244749), wk = 0.0031949 k( 156) = ( 0.1309524 0.0756054 0.3244749), wk = 0.0031949 k( 157) = ( 0.1428571 0.0824786 0.3244749), wk = 0.0031949 k( 158) = ( 0.1547619 0.0893518 0.3244749), wk = 0.0031949 k( 159) = ( 0.1666667 0.0962250 0.3244749), wk = 0.0031949 k( 160) = ( 0.1785714 0.1030983 0.3244749), wk = 0.0031949 k( 161) = ( 0.1904762 0.1099715 0.3244749), wk = 0.0031949 k( 162) = ( 0.2023810 0.1168447 0.3244749), wk = 0.0031949 k( 163) = ( 0.2142857 0.1237179 0.3244749), wk = 0.0031949 k( 164) = ( 0.2261905 0.1305911 0.3244749), wk = 0.0031949 k( 165) = ( 0.2380952 0.1374644 0.3244749), wk = 0.0031949 k( 166) = ( 0.2500000 0.1443376 0.3244749), wk = 0.0031949 k( 167) = ( 0.2619048 0.1512108 0.3244749), wk = 0.0031949 k( 168) = ( 0.2738095 0.1580840 0.3244749), wk = 0.0031949 k( 169) = ( 0.2857143 0.1649572 0.3244749), wk = 0.0031949 k( 170) = ( 0.2976190 0.1718304 0.3244749), wk = 0.0031949 k( 171) = ( 0.3095238 0.1787037 0.3244749), wk = 0.0031949 k( 172) = ( 0.3214286 0.1855769 0.3244749), wk = 0.0031949 k( 173) = ( 0.3333333 0.1924501 0.3244749), wk = 0.0031949 k( 174) = ( 0.3452381 0.1993233 0.3244749), wk = 0.0031949 k( 175) = ( 0.3571429 0.2061965 0.3244749), wk = 0.0031949 k( 176) = ( 0.3690476 0.2130697 0.3244749), wk = 0.0031949 k( 177) = ( 0.3809524 0.2199430 0.3244749), wk = 0.0031949 k( 178) = ( 0.3928571 0.2268162 0.3244749), wk = 0.0031949 k( 179) = ( 0.4047619 0.2336894 0.3244749), wk = 0.0031949 k( 180) = ( 0.4166667 0.2405626 0.3244749), wk = 0.0031949 k( 181) = ( 0.4285714 0.2474358 0.3244749), wk = 0.0031949 k( 182) = ( 0.4404762 0.2543090 0.3244749), wk = 0.0031949 k( 183) = ( 0.4523810 0.2611823 0.3244749), wk = 0.0031949 k( 184) = ( 0.4642857 0.2680555 0.3244749), wk = 0.0031949 k( 185) = ( 0.4761905 0.2749287 0.3244749), wk = 0.0031949 k( 186) = ( 0.4880952 0.2818019 0.3244749), wk = 0.0031949 k( 187) = ( 0.5000000 0.2886751 0.3244749), wk = 0.0031949 k( 188) = ( 0.5000000 0.2886751 0.3244749), wk = 0.0031949 k( 189) = ( 0.4933333 0.3002221 0.3244749), wk = 0.0031949 k( 190) = ( 0.4866667 0.3117692 0.3244749), wk = 0.0031949 k( 191) = ( 0.4800000 0.3233162 0.3244749), wk = 0.0031949 k( 192) = ( 0.4733333 0.3348632 0.3244749), wk = 0.0031949 k( 193) = ( 0.4666667 0.3464102 0.3244749), wk = 0.0031949 k( 194) = ( 0.4600000 0.3579572 0.3244749), wk = 0.0031949 k( 195) = ( 0.4533333 0.3695042 0.3244749), wk = 0.0031949 k( 196) = ( 0.4466667 0.3810512 0.3244749), wk = 0.0031949 k( 197) = ( 0.4400000 0.3925982 0.3244749), wk = 0.0031949 k( 198) = ( 0.4333333 0.4041452 0.3244749), wk = 0.0031949 k( 199) = ( 0.4266667 0.4156922 0.3244749), wk = 0.0031949 k( 200) = ( 0.4200000 0.4272392 0.3244749), wk = 0.0031949 k( 201) = ( 0.4133333 0.4387862 0.3244749), wk = 0.0031949 k( 202) = ( 0.4066667 0.4503332 0.3244749), wk = 0.0031949 k( 203) = ( 0.4000000 0.4618802 0.3244749), wk = 0.0031949 k( 204) = ( 0.3933333 0.4734272 0.3244749), wk = 0.0031949 k( 205) = ( 0.3866667 0.4849742 0.3244749), wk = 0.0031949 k( 206) = ( 0.3800000 0.4965212 0.3244749), wk = 0.0031949 k( 207) = ( 0.3733333 0.5080682 0.3244749), wk = 0.0031949 k( 208) = ( 0.3666667 0.5196152 0.3244749), wk = 0.0031949 k( 209) = ( 0.3600000 0.5311622 0.3244749), wk = 0.0031949 k( 210) = ( 0.3533333 0.5427092 0.3244749), wk = 0.0031949 k( 211) = ( 0.3466667 0.5542563 0.3244749), wk = 0.0031949 k( 212) = ( 0.3400000 0.5658033 0.3244749), wk = 0.0031949 k( 213) = ( 0.3333333 0.5773503 0.3244749), wk = 0.0031949 k( 214) = ( 0.3333333 0.5773503 0.3244749), wk = 0.0031949 k( 215) = ( 0.3265306 0.5655676 0.3244749), wk = 0.0031949 k( 216) = ( 0.3197279 0.5537850 0.3244749), wk = 0.0031949 k( 217) = ( 0.3129252 0.5420023 0.3244749), wk = 0.0031949 k( 218) = ( 0.3061224 0.5302196 0.3244749), wk = 0.0031949 k( 219) = ( 0.2993197 0.5184370 0.3244749), wk = 0.0031949 k( 220) = ( 0.2925170 0.5066543 0.3244749), wk = 0.0031949 k( 221) = ( 0.2857143 0.4948717 0.3244749), wk = 0.0031949 k( 222) = ( 0.2789116 0.4830890 0.3244749), wk = 0.0031949 k( 223) = ( 0.2721088 0.4713063 0.3244749), wk = 0.0031949 k( 224) = ( 0.2653061 0.4595237 0.3244749), wk = 0.0031949 k( 225) = ( 0.2585034 0.4477410 0.3244749), wk = 0.0031949 k( 226) = ( 0.2517007 0.4359584 0.3244749), wk = 0.0031949 k( 227) = ( 0.2448980 0.4241757 0.3244749), wk = 0.0031949 k( 228) = ( 0.2380952 0.4123931 0.3244749), wk = 0.0031949 k( 229) = ( 0.2312925 0.4006104 0.3244749), wk = 0.0031949 k( 230) = ( 0.2244898 0.3888277 0.3244749), wk = 0.0031949 k( 231) = ( 0.2176871 0.3770451 0.3244749), wk = 0.0031949 k( 232) = ( 0.2108843 0.3652624 0.3244749), wk = 0.0031949 k( 233) = ( 0.2040816 0.3534798 0.3244749), wk = 0.0031949 k( 234) = ( 0.1972789 0.3416971 0.3244749), wk = 0.0031949 k( 235) = ( 0.1904762 0.3299144 0.3244749), wk = 0.0031949 k( 236) = ( 0.1836735 0.3181318 0.3244749), wk = 0.0031949 k( 237) = ( 0.1768707 0.3063491 0.3244749), wk = 0.0031949 k( 238) = ( 0.1700680 0.2945665 0.3244749), wk = 0.0031949 k( 239) = ( 0.1632653 0.2827838 0.3244749), wk = 0.0031949 k( 240) = ( 0.1564626 0.2710012 0.3244749), wk = 0.0031949 k( 241) = ( 0.1496599 0.2592185 0.3244749), wk = 0.0031949 k( 242) = ( 0.1428571 0.2474358 0.3244749), wk = 0.0031949 k( 243) = ( 0.1360544 0.2356532 0.3244749), wk = 0.0031949 k( 244) = ( 0.1292517 0.2238705 0.3244749), wk = 0.0031949 k( 245) = ( 0.1224490 0.2120879 0.3244749), wk = 0.0031949 k( 246) = ( 0.1156463 0.2003052 0.3244749), wk = 0.0031949 k( 247) = ( 0.1088435 0.1885225 0.3244749), wk = 0.0031949 k( 248) = ( 0.1020408 0.1767399 0.3244749), wk = 0.0031949 k( 249) = ( 0.0952381 0.1649572 0.3244749), wk = 0.0031949 k( 250) = ( 0.0884354 0.1531746 0.3244749), wk = 0.0031949 k( 251) = ( 0.0816327 0.1413919 0.3244749), wk = 0.0031949 k( 252) = ( 0.0748299 0.1296092 0.3244749), wk = 0.0031949 k( 253) = ( 0.0680272 0.1178266 0.3244749), wk = 0.0031949 k( 254) = ( 0.0612245 0.1060439 0.3244749), wk = 0.0031949 k( 255) = ( 0.0544218 0.0942613 0.3244749), wk = 0.0031949 k( 256) = ( 0.0476191 0.0824786 0.3244749), wk = 0.0031949 k( 257) = ( 0.0408163 0.0706960 0.3244749), wk = 0.0031949 k( 258) = ( 0.0340136 0.0589133 0.3244749), wk = 0.0031949 k( 259) = ( 0.0272109 0.0471306 0.3244749), wk = 0.0031949 k( 260) = ( 0.0204082 0.0353480 0.3244749), wk = 0.0031949 k( 261) = ( 0.0136054 0.0235653 0.3244749), wk = 0.0031949 k( 262) = ( 0.0068027 0.0117827 0.3244749), wk = 0.0031949 k( 263) = ( 0.0000000 0.0000000 0.3244749), wk = 0.0031949 k( 264) = ( 0.5000000 0.2886751 0.3244749), wk = 0.0031949 k( 265) = ( 0.5000000 0.2886751 0.3109551), wk = 0.0031949 k( 266) = ( 0.5000000 0.2886751 0.2974353), wk = 0.0031949 k( 267) = ( 0.5000000 0.2886751 0.2839156), wk = 0.0031949 k( 268) = ( 0.5000000 0.2886751 0.2703958), wk = 0.0031949 k( 269) = ( 0.5000000 0.2886751 0.2568760), wk = 0.0031949 k( 270) = ( 0.5000000 0.2886751 0.2433562), wk = 0.0031949 k( 271) = ( 0.5000000 0.2886751 0.2298364), wk = 0.0031949 k( 272) = ( 0.5000000 0.2886751 0.2163166), wk = 0.0031949 k( 273) = ( 0.5000000 0.2886751 0.2027968), wk = 0.0031949 k( 274) = ( 0.5000000 0.2886751 0.1892770), wk = 0.0031949 k( 275) = ( 0.5000000 0.2886751 0.1757572), wk = 0.0031949 k( 276) = ( 0.5000000 0.2886751 0.1622375), wk = 0.0031949 k( 277) = ( 0.5000000 0.2886751 0.1487177), wk = 0.0031949 k( 278) = ( 0.5000000 0.2886751 0.1351979), wk = 0.0031949 k( 279) = ( 0.5000000 0.2886751 0.1216781), wk = 0.0031949 k( 280) = ( 0.5000000 0.2886751 0.1081583), wk = 0.0031949 k( 281) = ( 0.5000000 0.2886751 0.0946385), wk = 0.0031949 k( 282) = ( 0.5000000 0.2886751 0.0811187), wk = 0.0031949 k( 283) = ( 0.5000000 0.2886751 0.0675989), wk = 0.0031949 k( 284) = ( 0.5000000 0.2886751 0.0540792), wk = 0.0031949 k( 285) = ( 0.5000000 0.2886751 0.0405594), wk = 0.0031949 k( 286) = ( 0.5000000 0.2886751 0.0270396), wk = 0.0031949 k( 287) = ( 0.5000000 0.2886751 0.0135198), wk = 0.0031949 k( 288) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031949 k( 289) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031949 k( 290) = ( 0.3333333 0.5773503 0.0135198), wk = 0.0031949 k( 291) = ( 0.3333333 0.5773503 0.0270396), wk = 0.0031949 k( 292) = ( 0.3333333 0.5773503 0.0405594), wk = 0.0031949 k( 293) = ( 0.3333333 0.5773503 0.0540792), wk = 0.0031949 k( 294) = ( 0.3333333 0.5773503 0.0675989), wk = 0.0031949 k( 295) = ( 0.3333333 0.5773503 0.0811187), wk = 0.0031949 k( 296) = ( 0.3333333 0.5773503 0.0946385), wk = 0.0031949 k( 297) = ( 0.3333333 0.5773503 0.1081583), wk = 0.0031949 k( 298) = ( 0.3333333 0.5773503 0.1216781), wk = 0.0031949 k( 299) = ( 0.3333333 0.5773503 0.1351979), wk = 0.0031949 k( 300) = ( 0.3333333 0.5773503 0.1487177), wk = 0.0031949 k( 301) = ( 0.3333333 0.5773503 0.1622375), wk = 0.0031949 k( 302) = ( 0.3333333 0.5773503 0.1757572), wk = 0.0031949 k( 303) = ( 0.3333333 0.5773503 0.1892770), wk = 0.0031949 k( 304) = ( 0.3333333 0.5773503 0.2027968), wk = 0.0031949 k( 305) = ( 0.3333333 0.5773503 0.2163166), wk = 0.0031949 k( 306) = ( 0.3333333 0.5773503 0.2298364), wk = 0.0031949 k( 307) = ( 0.3333333 0.5773503 0.2433562), wk = 0.0031949 k( 308) = ( 0.3333333 0.5773503 0.2568760), wk = 0.0031949 k( 309) = ( 0.3333333 0.5773503 0.2703958), wk = 0.0031949 k( 310) = ( 0.3333333 0.5773503 0.2839156), wk = 0.0031949 k( 311) = ( 0.3333333 0.5773503 0.2974353), wk = 0.0031949 k( 312) = ( 0.3333333 0.5773503 0.3109551), wk = 0.0031949 k( 313) = ( 0.3333333 0.5773503 0.3244749), wk = 0.0031949 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0031949 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0031949 k( 4) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0031949 k( 5) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0031949 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0031949 k( 7) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0031949 k( 8) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0031949 k( 9) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0031949 k( 10) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0031949 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0031949 k( 12) = ( 0.1309524 0.0000000 0.0000000), wk = 0.0031949 k( 13) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0031949 k( 14) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0031949 k( 15) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0031949 k( 16) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0031949 k( 17) = ( 0.1904762 0.0000000 0.0000000), wk = 0.0031949 k( 18) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0031949 k( 19) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0031949 k( 20) = ( 0.2261905 0.0000000 -0.0000000), wk = 0.0031949 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0031949 k( 22) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0031949 k( 23) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0031949 k( 24) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0031949 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0031949 k( 26) = ( 0.2976190 0.0000000 -0.0000000), wk = 0.0031949 k( 27) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0031949 k( 28) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0031949 k( 29) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0031949 k( 30) = ( 0.3452381 0.0000000 -0.0000000), wk = 0.0031949 k( 31) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0031949 k( 32) = ( 0.3690476 0.0000000 0.0000000), wk = 0.0031949 k( 33) = ( 0.3809524 0.0000000 0.0000000), wk = 0.0031949 k( 34) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0031949 k( 35) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0031949 k( 36) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0031949 k( 37) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0031949 k( 38) = ( 0.4404762 0.0000000 0.0000000), wk = 0.0031949 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0031949 k( 40) = ( 0.4642857 0.0000000 -0.0000000), wk = 0.0031949 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0031949 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0031949 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031949 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031949 k( 45) = ( 0.4933333 0.0133333 0.0000000), wk = 0.0031949 k( 46) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0031949 k( 47) = ( 0.4800000 0.0400000 -0.0000000), wk = 0.0031949 k( 48) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0031949 k( 49) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0031949 k( 50) = ( 0.4600000 0.0800000 0.0000000), wk = 0.0031949 k( 51) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0031949 k( 52) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0031949 k( 53) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0031949 k( 54) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0031949 k( 55) = ( 0.4266667 0.1466667 -0.0000000), wk = 0.0031949 k( 56) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0031949 k( 57) = ( 0.4133333 0.1733333 0.0000000), wk = 0.0031949 k( 58) = ( 0.4066667 0.1866667 0.0000000), wk = 0.0031949 k( 59) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0031949 k( 60) = ( 0.3933333 0.2133333 -0.0000000), wk = 0.0031949 k( 61) = ( 0.3866667 0.2266667 -0.0000000), wk = 0.0031949 k( 62) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0031949 k( 63) = ( 0.3733333 0.2533333 -0.0000000), wk = 0.0031949 k( 64) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0031949 k( 65) = ( 0.3600000 0.2800000 0.0000000), wk = 0.0031949 k( 66) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0031949 k( 67) = ( 0.3466667 0.3066667 -0.0000000), wk = 0.0031949 k( 68) = ( 0.3400000 0.3200000 -0.0000000), wk = 0.0031949 k( 69) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031949 k( 70) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031949 k( 71) = ( 0.3265306 0.3265306 -0.0000000), wk = 0.0031949 k( 72) = ( 0.3197279 0.3197279 0.0000000), wk = 0.0031949 k( 73) = ( 0.3129252 0.3129252 -0.0000000), wk = 0.0031949 k( 74) = ( 0.3061224 0.3061225 0.0000000), wk = 0.0031949 k( 75) = ( 0.2993197 0.2993197 0.0000000), wk = 0.0031949 k( 76) = ( 0.2925170 0.2925170 0.0000000), wk = 0.0031949 k( 77) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0031949 k( 78) = ( 0.2789116 0.2789116 0.0000000), wk = 0.0031949 k( 79) = ( 0.2721088 0.2721088 0.0000000), wk = 0.0031949 k( 80) = ( 0.2653061 0.2653061 0.0000000), wk = 0.0031949 k( 81) = ( 0.2585034 0.2585034 0.0000000), wk = 0.0031949 k( 82) = ( 0.2517007 0.2517007 0.0000000), wk = 0.0031949 k( 83) = ( 0.2448980 0.2448980 0.0000000), wk = 0.0031949 k( 84) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0031949 k( 85) = ( 0.2312925 0.2312925 0.0000000), wk = 0.0031949 k( 86) = ( 0.2244898 0.2244898 0.0000000), wk = 0.0031949 k( 87) = ( 0.2176871 0.2176871 0.0000000), wk = 0.0031949 k( 88) = ( 0.2108843 0.2108843 0.0000000), wk = 0.0031949 k( 89) = ( 0.2040816 0.2040816 0.0000000), wk = 0.0031949 k( 90) = ( 0.1972789 0.1972789 0.0000000), wk = 0.0031949 k( 91) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0031949 k( 92) = ( 0.1836735 0.1836735 -0.0000000), wk = 0.0031949 k( 93) = ( 0.1768707 0.1768707 0.0000000), wk = 0.0031949 k( 94) = ( 0.1700680 0.1700680 -0.0000000), wk = 0.0031949 k( 95) = ( 0.1632653 0.1632653 0.0000000), wk = 0.0031949 k( 96) = ( 0.1564626 0.1564626 -0.0000000), wk = 0.0031949 k( 97) = ( 0.1496599 0.1496599 0.0000000), wk = 0.0031949 k( 98) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0031949 k( 99) = ( 0.1360544 0.1360544 0.0000000), wk = 0.0031949 k( 100) = ( 0.1292517 0.1292517 0.0000000), wk = 0.0031949 k( 101) = ( 0.1224490 0.1224490 0.0000000), wk = 0.0031949 k( 102) = ( 0.1156463 0.1156463 0.0000000), wk = 0.0031949 k( 103) = ( 0.1088435 0.1088435 -0.0000000), wk = 0.0031949 k( 104) = ( 0.1020408 0.1020408 0.0000000), wk = 0.0031949 k( 105) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0031949 k( 106) = ( 0.0884354 0.0884354 0.0000000), wk = 0.0031949 k( 107) = ( 0.0816327 0.0816327 0.0000000), wk = 0.0031949 k( 108) = ( 0.0748299 0.0748299 0.0000000), wk = 0.0031949 k( 109) = ( 0.0680272 0.0680272 0.0000000), wk = 0.0031949 k( 110) = ( 0.0612245 0.0612245 0.0000000), wk = 0.0031949 k( 111) = ( 0.0544218 0.0544218 -0.0000000), wk = 0.0031949 k( 112) = ( 0.0476191 0.0476190 0.0000000), wk = 0.0031949 k( 113) = ( 0.0408163 0.0408163 -0.0000000), wk = 0.0031949 k( 114) = ( 0.0340136 0.0340136 -0.0000000), wk = 0.0031949 k( 115) = ( 0.0272109 0.0272109 0.0000000), wk = 0.0031949 k( 116) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0031949 k( 117) = ( 0.0136054 0.0136054 0.0000000), wk = 0.0031949 k( 118) = ( 0.0068027 0.0068027 0.0000000), wk = 0.0031949 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 121) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0031949 k( 122) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0031949 k( 123) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0031949 k( 124) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0031949 k( 125) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0031949 k( 126) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0031949 k( 127) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0031949 k( 128) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0031949 k( 129) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0031949 k( 130) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0031949 k( 131) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0031949 k( 132) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031949 k( 133) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0031949 k( 134) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0031949 k( 135) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0031949 k( 136) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0031949 k( 137) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0031949 k( 138) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0031949 k( 139) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0031949 k( 140) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0031949 k( 141) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0031949 k( 142) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0031949 k( 143) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0031949 k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031949 k( 145) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031949 k( 146) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0031949 k( 147) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0031949 k( 148) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0031949 k( 149) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0031949 k( 150) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0031949 k( 151) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0031949 k( 152) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0031949 k( 153) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0031949 k( 154) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0031949 k( 155) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0031949 k( 156) = ( 0.1309524 0.0000000 0.5000000), wk = 0.0031949 k( 157) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0031949 k( 158) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0031949 k( 159) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0031949 k( 160) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0031949 k( 161) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0031949 k( 162) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0031949 k( 163) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0031949 k( 164) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0031949 k( 165) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0031949 k( 166) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0031949 k( 167) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0031949 k( 168) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0031949 k( 169) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0031949 k( 170) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0031949 k( 171) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0031949 k( 172) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0031949 k( 173) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0031949 k( 174) = ( 0.3452381 0.0000000 0.5000000), wk = 0.0031949 k( 175) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0031949 k( 176) = ( 0.3690476 0.0000000 0.5000000), wk = 0.0031949 k( 177) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0031949 k( 178) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0031949 k( 179) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0031949 k( 180) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0031949 k( 181) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0031949 k( 182) = ( 0.4404762 0.0000000 0.5000000), wk = 0.0031949 k( 183) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0031949 k( 184) = ( 0.4642857 0.0000000 0.5000000), wk = 0.0031949 k( 185) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0031949 k( 186) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0031949 k( 187) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031949 k( 188) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031949 k( 189) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0031949 k( 190) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0031949 k( 191) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0031949 k( 192) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0031949 k( 193) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0031949 k( 194) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0031949 k( 195) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0031949 k( 196) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0031949 k( 197) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0031949 k( 198) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0031949 k( 199) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0031949 k( 200) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0031949 k( 201) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0031949 k( 202) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0031949 k( 203) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0031949 k( 204) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0031949 k( 205) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0031949 k( 206) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0031949 k( 207) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0031949 k( 208) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0031949 k( 209) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0031949 k( 210) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0031949 k( 211) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0031949 k( 212) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0031949 k( 213) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031949 k( 214) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031949 k( 215) = ( 0.3265306 0.3265306 0.5000000), wk = 0.0031949 k( 216) = ( 0.3197279 0.3197279 0.5000000), wk = 0.0031949 k( 217) = ( 0.3129252 0.3129252 0.5000000), wk = 0.0031949 k( 218) = ( 0.3061224 0.3061225 0.5000000), wk = 0.0031949 k( 219) = ( 0.2993197 0.2993197 0.5000000), wk = 0.0031949 k( 220) = ( 0.2925170 0.2925170 0.5000000), wk = 0.0031949 k( 221) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0031949 k( 222) = ( 0.2789116 0.2789116 0.5000000), wk = 0.0031949 k( 223) = ( 0.2721088 0.2721088 0.5000000), wk = 0.0031949 k( 224) = ( 0.2653061 0.2653061 0.5000000), wk = 0.0031949 k( 225) = ( 0.2585034 0.2585034 0.5000000), wk = 0.0031949 k( 226) = ( 0.2517007 0.2517007 0.5000000), wk = 0.0031949 k( 227) = ( 0.2448980 0.2448980 0.5000000), wk = 0.0031949 k( 228) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0031949 k( 229) = ( 0.2312925 0.2312925 0.5000000), wk = 0.0031949 k( 230) = ( 0.2244898 0.2244898 0.5000000), wk = 0.0031949 k( 231) = ( 0.2176871 0.2176871 0.5000000), wk = 0.0031949 k( 232) = ( 0.2108843 0.2108843 0.5000000), wk = 0.0031949 k( 233) = ( 0.2040816 0.2040816 0.5000000), wk = 0.0031949 k( 234) = ( 0.1972789 0.1972789 0.5000000), wk = 0.0031949 k( 235) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0031949 k( 236) = ( 0.1836735 0.1836735 0.5000000), wk = 0.0031949 k( 237) = ( 0.1768707 0.1768707 0.5000000), wk = 0.0031949 k( 238) = ( 0.1700680 0.1700680 0.5000000), wk = 0.0031949 k( 239) = ( 0.1632653 0.1632653 0.5000000), wk = 0.0031949 k( 240) = ( 0.1564626 0.1564626 0.5000000), wk = 0.0031949 k( 241) = ( 0.1496599 0.1496599 0.5000000), wk = 0.0031949 k( 242) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0031949 k( 243) = ( 0.1360544 0.1360544 0.5000000), wk = 0.0031949 k( 244) = ( 0.1292517 0.1292517 0.5000000), wk = 0.0031949 k( 245) = ( 0.1224490 0.1224490 0.5000000), wk = 0.0031949 k( 246) = ( 0.1156463 0.1156463 0.5000000), wk = 0.0031949 k( 247) = ( 0.1088435 0.1088435 0.5000000), wk = 0.0031949 k( 248) = ( 0.1020408 0.1020408 0.5000000), wk = 0.0031949 k( 249) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0031949 k( 250) = ( 0.0884354 0.0884354 0.5000000), wk = 0.0031949 k( 251) = ( 0.0816327 0.0816327 0.5000000), wk = 0.0031949 k( 252) = ( 0.0748299 0.0748299 0.5000000), wk = 0.0031949 k( 253) = ( 0.0680272 0.0680272 0.5000000), wk = 0.0031949 k( 254) = ( 0.0612245 0.0612245 0.5000000), wk = 0.0031949 k( 255) = ( 0.0544218 0.0544218 0.5000000), wk = 0.0031949 k( 256) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0031949 k( 257) = ( 0.0408163 0.0408163 0.5000000), wk = 0.0031949 k( 258) = ( 0.0340136 0.0340136 0.5000000), wk = 0.0031949 k( 259) = ( 0.0272109 0.0272109 0.5000000), wk = 0.0031949 k( 260) = ( 0.0204082 0.0204082 0.5000000), wk = 0.0031949 k( 261) = ( 0.0136054 0.0136054 0.5000000), wk = 0.0031949 k( 262) = ( 0.0068027 0.0068027 0.5000000), wk = 0.0031949 k( 263) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031949 k( 264) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031949 k( 265) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0031949 k( 266) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0031949 k( 267) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0031949 k( 268) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0031949 k( 269) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0031949 k( 270) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0031949 k( 271) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0031949 k( 272) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0031949 k( 273) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0031949 k( 274) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0031949 k( 275) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0031949 k( 276) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0031949 k( 277) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0031949 k( 278) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0031949 k( 279) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0031949 k( 280) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0031949 k( 281) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0031949 k( 282) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0031949 k( 283) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0031949 k( 284) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0031949 k( 285) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0031949 k( 286) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0031949 k( 287) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0031949 k( 288) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031949 k( 289) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031949 k( 290) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0031949 k( 291) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0031949 k( 292) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0031949 k( 293) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0031949 k( 294) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0031949 k( 295) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0031949 k( 296) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0031949 k( 297) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0031949 k( 298) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0031949 k( 299) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0031949 k( 300) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0031949 k( 301) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0031949 k( 302) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0031949 k( 303) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0031949 k( 304) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0031949 k( 305) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031949 k( 306) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0031949 k( 307) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0031949 k( 308) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0031949 k( 309) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0031949 k( 310) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0031949 k( 311) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0031949 k( 312) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0031949 k( 313) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031949 Dense grid: 108779 G-vectors FFT dimensions: ( 54, 54, 90) Smooth grid: 35295 G-vectors FFT dimensions: ( 40, 40, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 180, 68) NL pseudopotentials 0.23 Mb ( 90, 168) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2262) G-vector shells 0.01 Mb ( 1102) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 180, 272) Each subspace H/S matrix 1.13 Mb ( 272, 272) Each matrix 0.35 Mb ( 168, 2, 68) The potential is recalculated from file : ./ZrGaAu.save/charge-density.dat Starting wfc are 108 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.9 secs Computing kpt #: 2 total cpu time spent up to now is 50.8 secs Computing kpt #: 3 total cpu time spent up to now is 55.0 secs Computing kpt #: 4 total cpu time spent up to now is 59.2 secs Computing kpt #: 5 total cpu time spent up to now is 63.3 secs Computing kpt #: 6 total cpu time spent up to now is 68.1 secs Computing kpt #: 7 total cpu time spent up to now is 73.1 secs Computing kpt #: 8 total cpu time spent up to now is 77.1 secs Computing kpt #: 9 total cpu time spent up to now is 80.7 secs Computing kpt #: 10 total cpu time spent up to now is 84.3 secs Computing kpt #: 11 total cpu time spent up to now is 88.0 secs Computing kpt #: 12 total cpu time spent up to now is 91.7 secs Computing kpt #: 13 total cpu time spent up to now is 95.5 secs Computing kpt #: 14 total cpu time spent up to now is 99.4 secs Computing kpt #: 15 total cpu time spent up to now is 103.4 secs Computing kpt #: 16 total cpu time spent up to now is 107.6 secs Computing kpt #: 17 total cpu time spent up to now is 111.6 secs Computing kpt #: 18 total cpu time spent up to now is 115.5 secs Computing kpt #: 19 total cpu time spent up to now is 119.4 secs Computing kpt #: 20 total cpu time spent up to now is 123.8 secs Computing kpt #: 21 total cpu time spent up to now is 131.4 secs Computing kpt #: 22 total cpu time spent up to now is 136.4 secs Computing kpt #: 23 total cpu time spent up to now is 141.1 secs Computing kpt #: 24 total cpu time spent up to now is 145.5 secs Computing kpt #: 25 total cpu time spent up to now is 149.6 secs Computing kpt #: 26 total cpu time spent up to now is 153.5 secs Computing kpt #: 27 total cpu time spent up to now is 157.1 secs Computing kpt #: 28 total cpu time spent up to now is 160.6 secs Computing kpt #: 29 total cpu time spent up to now is 164.1 secs Computing kpt #: 30 total cpu time spent up to now is 167.7 secs Computing kpt #: 31 total cpu time spent up to now is 171.0 secs Computing kpt #: 32 total cpu time spent up to now is 174.6 secs Computing kpt #: 33 total cpu time spent up to now is 178.2 secs Computing kpt #: 34 total cpu time spent up to now is 181.8 secs Computing kpt #: 35 total cpu time spent up to now is 185.8 secs Computing kpt #: 36 total cpu time spent up to now is 193.1 secs Computing kpt #: 37 total cpu time spent up to now is 196.9 secs Computing kpt #: 38 total cpu time spent up to now is 201.1 secs Computing kpt #: 39 total cpu time spent up to now is 205.0 secs Computing kpt #: 40 total cpu time spent up to now is 209.5 secs Computing kpt #: 41 total cpu time spent up to now is 215.1 secs Computing kpt #: 42 total cpu time spent up to now is 220.7 secs Computing kpt #: 43 total cpu time spent up to now is 226.3 secs Computing kpt #: 44 total cpu time spent up to now is 231.9 secs Computing kpt #: 45 total cpu time spent up to now is 237.8 secs Computing kpt #: 46 total cpu time spent up to now is 242.1 secs Computing kpt #: 47 total cpu time spent up to now is 246.5 secs Computing kpt #: 48 total cpu time spent up to now is 250.6 secs Computing kpt #: 49 total cpu time spent up to now is 255.3 secs Computing kpt #: 50 total cpu time spent up to now is 259.3 secs Computing kpt #: 51 total cpu time spent up to now is 263.4 secs Computing kpt #: 52 total cpu time spent up to now is 267.7 secs Computing kpt #: 53 total cpu time spent up to now is 271.6 secs Computing kpt #: 54 total cpu time spent up to now is 275.8 secs Computing kpt #: 55 total cpu time spent up to now is 279.9 secs Computing kpt #: 56 total cpu time spent up to now is 284.2 secs Computing kpt #: 57 total cpu time spent up to now is 288.3 secs Computing kpt #: 58 total cpu time spent up to now is 292.9 secs Computing kpt #: 59 total cpu time spent up to now is 297.6 secs Computing kpt #: 60 total cpu time spent up to now is 302.1 secs Computing kpt #: 61 total cpu time spent up to now is 306.8 secs Computing kpt #: 62 total cpu time spent up to now is 311.1 secs Computing kpt #: 63 total cpu time spent up to now is 315.9 secs Computing kpt #: 64 total cpu time spent up to now is 320.4 secs Computing kpt #: 65 total cpu time spent up to now is 324.4 secs Computing kpt #: 66 total cpu time spent up to now is 328.4 secs Computing kpt #: 67 total cpu time spent up to now is 332.2 secs Computing kpt #: 68 total cpu time spent up to now is 336.2 secs Computing kpt #: 69 total cpu time spent up to now is 340.1 secs Computing kpt #: 70 total cpu time spent up to now is 343.8 secs Computing kpt #: 71 total cpu time spent up to now is 347.7 secs Computing kpt #: 72 total cpu time spent up to now is 351.5 secs Computing kpt #: 73 total cpu time spent up to now is 355.5 secs Computing kpt #: 74 total cpu time spent up to now is 359.4 secs Computing kpt #: 75 total cpu time spent up to now is 363.3 secs Computing kpt #: 76 total cpu time spent up to now is 368.0 secs Computing kpt #: 77 total cpu time spent up to now is 373.2 secs Computing kpt #: 78 total cpu time spent up to now is 377.4 secs Computing kpt #: 79 total cpu time spent up to now is 381.4 secs Computing kpt #: 80 total cpu time spent up to now is 385.2 secs Computing kpt #: 81 total cpu time spent up to now is 389.1 secs Computing kpt #: 82 total cpu time spent up to now is 392.8 secs Computing kpt #: 83 total cpu time spent up to now is 396.5 secs Computing kpt #: 84 total cpu time spent up to now is 400.1 secs Computing kpt #: 85 total cpu time spent up to now is 403.8 secs Computing kpt #: 86 total cpu time spent up to now is 407.4 secs Computing kpt #: 87 total cpu time spent up to now is 411.1 secs Computing kpt #: 88 total cpu time spent up to now is 414.8 secs Computing kpt #: 89 total cpu time spent up to now is 418.5 secs Computing kpt #: 90 total cpu time spent up to now is 422.3 secs Computing kpt #: 91 total cpu time spent up to now is 426.1 secs Computing kpt #: 92 total cpu time spent up to now is 430.0 secs Computing kpt #: 93 total cpu time spent up to now is 434.0 secs Computing kpt #: 94 total cpu time spent up to now is 438.1 secs Computing kpt #: 95 total cpu time spent up to now is 442.7 secs Computing kpt #: 96 total cpu time spent up to now is 446.8 secs Computing kpt #: 97 total cpu time spent up to now is 451.2 secs Computing kpt #: 98 total cpu time spent up to now is 455.7 secs Computing kpt #: 99 total cpu time spent up to now is 460.3 secs Computing kpt #: 100 total cpu time spent up to now is 464.6 secs Computing kpt #: 101 total cpu time spent up to now is 469.0 secs Computing kpt #: 102 total cpu time spent up to now is 473.8 secs Computing kpt #: 103 total cpu time spent up to now is 478.3 secs Computing kpt #: 104 total cpu time spent up to now is 482.8 secs Computing kpt #: 105 total cpu time spent up to now is 487.1 secs Computing kpt #: 106 total cpu time spent up to now is 491.1 secs Computing kpt #: 107 total cpu time spent up to now is 495.2 secs Computing kpt #: 108 total cpu time spent up to now is 499.0 secs Computing kpt #: 109 total cpu time spent up to now is 502.9 secs Computing kpt #: 110 total cpu time spent up to now is 506.6 secs Computing kpt #: 111 total cpu time spent up to now is 510.4 secs Computing kpt #: 112 total cpu time spent up to now is 514.1 secs Computing kpt #: 113 total cpu time spent up to now is 518.0 secs Computing kpt #: 114 total cpu time spent up to now is 522.1 secs Computing kpt #: 115 total cpu time spent up to now is 526.2 secs Computing kpt #: 116 total cpu time spent up to now is 530.4 secs Computing kpt #: 117 total cpu time spent up to now is 534.5 secs Computing kpt #: 118 total cpu time spent up to now is 538.3 secs Computing kpt #: 119 total cpu time spent up to now is 542.5 secs Computing kpt #: 120 total cpu time spent up to now is 546.4 secs Computing kpt #: 121 total cpu time spent up to now is 550.2 secs Computing kpt #: 122 total cpu time spent up to now is 554.1 secs Computing kpt #: 123 total cpu time spent up to now is 558.2 secs Computing kpt #: 124 total cpu time spent up to now is 562.4 secs Computing kpt #: 125 total cpu time spent up to now is 566.6 secs Computing kpt #: 126 total cpu time spent up to now is 570.4 secs Computing kpt #: 127 total cpu time spent up to now is 574.3 secs Computing kpt #: 128 total cpu time spent up to now is 578.2 secs Computing kpt #: 129 total cpu time spent up to now is 582.0 secs Computing kpt #: 130 total cpu time spent up to now is 585.8 secs Computing kpt #: 131 total cpu time spent up to now is 589.6 secs Computing kpt #: 132 total cpu time spent up to now is 593.3 secs Computing kpt #: 133 total cpu time spent up to now is 597.1 secs Computing kpt #: 134 total cpu time spent up to now is 601.0 secs Computing kpt #: 135 total cpu time spent up to now is 605.1 secs Computing kpt #: 136 total cpu time spent up to now is 609.2 secs Computing kpt #: 137 total cpu time spent up to now is 613.3 secs Computing kpt #: 138 total cpu time spent up to now is 617.3 secs Computing kpt #: 139 total cpu time spent up to now is 621.0 secs Computing kpt #: 140 total cpu time spent up to now is 624.8 secs Computing kpt #: 141 total cpu time spent up to now is 628.6 secs Computing kpt #: 142 total cpu time spent up to now is 632.3 secs Computing kpt #: 143 total cpu time spent up to now is 635.8 secs Computing kpt #: 144 total cpu time spent up to now is 639.6 secs Computing kpt #: 145 total cpu time spent up to now is 643.2 secs Computing kpt #: 146 total cpu time spent up to now is 646.9 secs Computing kpt #: 147 total cpu time spent up to now is 650.5 secs Computing kpt #: 148 total cpu time spent up to now is 654.3 secs Computing kpt #: 149 total cpu time spent up to now is 657.9 secs Computing kpt #: 150 total cpu time spent up to now is 661.6 secs Computing kpt #: 151 total cpu time spent up to now is 665.4 secs Computing kpt #: 152 total cpu time spent up to now is 669.8 secs Computing kpt #: 153 total cpu time spent up to now is 673.5 secs Computing kpt #: 154 total cpu time spent up to now is 677.2 secs Computing kpt #: 155 total cpu time spent up to now is 680.8 secs Computing kpt #: 156 total cpu time spent up to now is 684.4 secs Computing kpt #: 157 total cpu time spent up to now is 688.1 secs Computing kpt #: 158 total cpu time spent up to now is 691.7 secs Computing kpt #: 159 total cpu time spent up to now is 695.3 secs Computing kpt #: 160 total cpu time spent up to now is 698.9 secs Computing kpt #: 161 total cpu time spent up to now is 702.5 secs Computing kpt #: 162 total cpu time spent up to now is 706.0 secs Computing kpt #: 163 total cpu time spent up to now is 709.6 secs Computing kpt #: 164 total cpu time spent up to now is 713.1 secs Computing kpt #: 165 total cpu time spent up to now is 716.6 secs Computing kpt #: 166 total cpu time spent up to now is 720.1 secs Computing kpt #: 167 total cpu time spent up to now is 723.6 secs Computing kpt #: 168 total cpu time spent up to now is 727.1 secs Computing kpt #: 169 total cpu time spent up to now is 730.6 secs Computing kpt #: 170 total cpu time spent up to now is 734.0 secs Computing kpt #: 171 total cpu time spent up to now is 737.4 secs Computing kpt #: 172 total cpu time spent up to now is 740.8 secs Computing kpt #: 173 total cpu time spent up to now is 744.2 secs Computing kpt #: 174 total cpu time spent up to now is 747.6 secs Computing kpt #: 175 total cpu time spent up to now is 751.0 secs Computing kpt #: 176 total cpu time spent up to now is 754.3 secs Computing kpt #: 177 total cpu time spent up to now is 757.5 secs Computing kpt #: 178 total cpu time spent up to now is 760.9 secs Computing kpt #: 179 total cpu time spent up to now is 764.1 secs Computing kpt #: 180 total cpu time spent up to now is 767.3 secs Computing kpt #: 181 total cpu time spent up to now is 770.4 secs Computing kpt #: 182 total cpu time spent up to now is 773.5 secs Computing kpt #: 183 total cpu time spent up to now is 776.7 secs Computing kpt #: 184 total cpu time spent up to now is 779.9 secs Computing kpt #: 185 total cpu time spent up to now is 783.0 secs Computing kpt #: 186 total cpu time spent up to now is 786.2 secs Computing kpt #: 187 total cpu time spent up to now is 789.3 secs Computing kpt #: 188 total cpu time spent up to now is 792.4 secs Computing kpt #: 189 total cpu time spent up to now is 795.6 secs Computing kpt #: 190 total cpu time spent up to now is 798.8 secs Computing kpt #: 191 total cpu time spent up to now is 801.9 secs Computing kpt #: 192 total cpu time spent up to now is 805.1 secs Computing kpt #: 193 total cpu time spent up to now is 808.2 secs Computing kpt #: 194 total cpu time spent up to now is 811.4 secs Computing kpt #: 195 total cpu time spent up to now is 814.8 secs Computing kpt #: 196 total cpu time spent up to now is 818.2 secs Computing kpt #: 197 total cpu time spent up to now is 821.6 secs Computing kpt #: 198 total cpu time spent up to now is 825.1 secs Computing kpt #: 199 total cpu time spent up to now is 828.6 secs Computing kpt #: 200 total cpu time spent up to now is 832.2 secs Computing kpt #: 201 total cpu time spent up to now is 835.8 secs Computing kpt #: 202 total cpu time spent up to now is 839.7 secs Computing kpt #: 203 total cpu time spent up to now is 843.5 secs Computing kpt #: 204 total cpu time spent up to now is 847.1 secs Computing kpt #: 205 total cpu time spent up to now is 850.8 secs Computing kpt #: 206 total cpu time spent up to now is 854.6 secs Computing kpt #: 207 total cpu time spent up to now is 858.5 secs Computing kpt #: 208 total cpu time spent up to now is 862.5 secs Computing kpt #: 209 total cpu time spent up to now is 866.3 secs Computing kpt #: 210 total cpu time spent up to now is 870.2 secs Computing kpt #: 211 total cpu time spent up to now is 874.0 secs Computing kpt #: 212 total cpu time spent up to now is 877.9 secs Computing kpt #: 213 total cpu time spent up to now is 881.7 secs Computing kpt #: 214 total cpu time spent up to now is 885.3 secs Computing kpt #: 215 total cpu time spent up to now is 889.2 secs Computing kpt #: 216 total cpu time spent up to now is 893.0 secs Computing kpt #: 217 total cpu time spent up to now is 897.0 secs Computing kpt #: 218 total cpu time spent up to now is 900.8 secs Computing kpt #: 219 total cpu time spent up to now is 904.6 secs Computing kpt #: 220 total cpu time spent up to now is 908.4 secs Computing kpt #: 221 total cpu time spent up to now is 912.1 secs Computing kpt #: 222 total cpu time spent up to now is 915.8 secs Computing kpt #: 223 total cpu time spent up to now is 919.7 secs Computing kpt #: 224 total cpu time spent up to now is 923.3 secs Computing kpt #: 225 total cpu time spent up to now is 927.0 secs Computing kpt #: 226 total cpu time spent up to now is 930.7 secs Computing kpt #: 227 total cpu time spent up to now is 934.3 secs Computing kpt #: 228 total cpu time spent up to now is 937.9 secs Computing kpt #: 229 total cpu time spent up to now is 941.4 secs Computing kpt #: 230 total cpu time spent up to now is 945.0 secs Computing kpt #: 231 total cpu time spent up to now is 948.5 secs Computing kpt #: 232 total cpu time spent up to now is 952.0 secs Computing kpt #: 233 total cpu time spent up to now is 955.5 secs Computing kpt #: 234 total cpu time spent up to now is 959.3 secs Computing kpt #: 235 total cpu time spent up to now is 963.2 secs Computing kpt #: 236 total cpu time spent up to now is 967.7 secs Computing kpt #: 237 total cpu time spent up to now is 972.9 secs Computing kpt #: 238 total cpu time spent up to now is 976.8 secs Computing kpt #: 239 total cpu time spent up to now is 980.7 secs Computing kpt #: 240 total cpu time spent up to now is 984.6 secs Computing kpt #: 241 total cpu time spent up to now is 988.7 secs Computing kpt #: 242 total cpu time spent up to now is 992.6 secs Computing kpt #: 243 total cpu time spent up to now is 996.3 secs Computing kpt #: 244 total cpu time spent up to now is 1000.2 secs Computing kpt #: 245 total cpu time spent up to now is 1003.9 secs Computing kpt #: 246 total cpu time spent up to now is 1007.7 secs Computing kpt #: 247 total cpu time spent up to now is 1011.5 secs Computing kpt #: 248 total cpu time spent up to now is 1015.2 secs Computing kpt #: 249 total cpu time spent up to now is 1019.0 secs Computing kpt #: 250 total cpu time spent up to now is 1022.7 secs Computing kpt #: 251 total cpu time spent up to now is 1026.5 secs Computing kpt #: 252 total cpu time spent up to now is 1030.4 secs Computing kpt #: 253 total cpu time spent up to now is 1034.2 secs Computing kpt #: 254 total cpu time spent up to now is 1038.0 secs Computing kpt #: 255 total cpu time spent up to now is 1041.8 secs Computing kpt #: 256 total cpu time spent up to now is 1045.5 secs Computing kpt #: 257 total cpu time spent up to now is 1049.2 secs Computing kpt #: 258 total cpu time spent up to now is 1053.0 secs Computing kpt #: 259 total cpu time spent up to now is 1056.7 secs Computing kpt #: 260 total cpu time spent up to now is 1060.5 secs Computing kpt #: 261 total cpu time spent up to now is 1064.2 secs Computing kpt #: 262 total cpu time spent up to now is 1067.9 secs Computing kpt #: 263 total cpu time spent up to now is 1071.7 secs Computing kpt #: 264 total cpu time spent up to now is 1074.9 secs Computing kpt #: 265 total cpu time spent up to now is 1078.1 secs Computing kpt #: 266 total cpu time spent up to now is 1081.2 secs Computing kpt #: 267 total cpu time spent up to now is 1084.6 secs Computing kpt #: 268 total cpu time spent up to now is 1087.8 secs Computing kpt #: 269 total cpu time spent up to now is 1090.9 secs Computing kpt #: 270 total cpu time spent up to now is 1094.2 secs Computing kpt #: 271 total cpu time spent up to now is 1097.5 secs Computing kpt #: 272 total cpu time spent up to now is 1100.7 secs Computing kpt #: 273 total cpu time spent up to now is 1104.1 secs Computing kpt #: 274 total cpu time spent up to now is 1107.6 secs Computing kpt #: 275 total cpu time spent up to now is 1111.2 secs Computing kpt #: 276 total cpu time spent up to now is 1114.8 secs Computing kpt #: 277 total cpu time spent up to now is 1118.3 secs Computing kpt #: 278 total cpu time spent up to now is 1122.0 secs Computing kpt #: 279 total cpu time spent up to now is 1126.3 secs Computing kpt #: 280 total cpu time spent up to now is 1130.5 secs Computing kpt #: 281 total cpu time spent up to now is 1134.4 secs Computing kpt #: 282 total cpu time spent up to now is 1139.0 secs Computing kpt #: 283 total cpu time spent up to now is 1145.1 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1152.3 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1159.5 secs Computing kpt #: 286 total cpu time spent up to now is 1165.4 secs Computing kpt #: 287 total cpu time spent up to now is 1171.3 secs Computing kpt #: 288 total cpu time spent up to now is 1175.4 secs Computing kpt #: 289 total cpu time spent up to now is 1179.1 secs Computing kpt #: 290 total cpu time spent up to now is 1183.0 secs Computing kpt #: 291 total cpu time spent up to now is 1186.8 secs Computing kpt #: 292 total cpu time spent up to now is 1190.5 secs Computing kpt #: 293 total cpu time spent up to now is 1194.3 secs Computing kpt #: 294 total cpu time spent up to now is 1198.1 secs Computing kpt #: 295 total cpu time spent up to now is 1201.8 secs Computing kpt #: 296 total cpu time spent up to now is 1205.6 secs Computing kpt #: 297 total cpu time spent up to now is 1209.4 secs Computing kpt #: 298 total cpu time spent up to now is 1213.1 secs Computing kpt #: 299 total cpu time spent up to now is 1217.0 secs Computing kpt #: 300 total cpu time spent up to now is 1221.2 secs Computing kpt #: 301 total cpu time spent up to now is 1225.0 secs Computing kpt #: 302 total cpu time spent up to now is 1229.0 secs Computing kpt #: 303 total cpu time spent up to now is 1233.0 secs Computing kpt #: 304 total cpu time spent up to now is 1237.5 secs Computing kpt #: 305 total cpu time spent up to now is 1241.9 secs Computing kpt #: 306 total cpu time spent up to now is 1246.5 secs Computing kpt #: 307 total cpu time spent up to now is 1251.0 secs Computing kpt #: 308 total cpu time spent up to now is 1255.2 secs Computing kpt #: 309 total cpu time spent up to now is 1259.2 secs Computing kpt #: 310 total cpu time spent up to now is 1262.9 secs Computing kpt #: 311 total cpu time spent up to now is 1267.1 secs Computing kpt #: 312 total cpu time spent up to now is 1271.4 secs Computing kpt #: 313 total cpu time spent up to now is 1275.1 secs ethr = 1.79E-11, avg # of iterations = 38.7 total cpu time spent up to now is 1275.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4397 PWs) bands (ev): -2.6441 -2.6441 -2.6269 -2.6269 -2.6236 -2.6236 -2.6109 -2.6109 -2.2013 -2.2013 -2.1944 -2.1944 -2.1706 -2.1706 -2.1645 -2.1645 -2.1385 -2.1385 -2.1297 -2.1297 2.2574 2.2574 4.4253 4.4253 5.5883 5.5883 5.7950 5.7950 5.8987 5.8987 6.2006 6.2006 6.6885 6.6885 6.8949 6.8949 7.0337 7.0337 7.3561 7.3561 7.7062 7.7062 8.1790 8.1790 9.3349 9.3349 10.7778 10.7778 10.9039 10.9039 11.4296 11.4296 12.8431 12.8431 12.9340 12.9340 13.6938 13.6938 13.7756 13.7756 14.2958 14.2958 14.5253 14.5253 14.7775 14.7775 16.0718 16.0718 k = 0.0119 0.0069-0.0000 ( 4394 PWs) bands (ev): -2.6441 -2.6441 -2.6269 -2.6269 -2.6236 -2.6236 -2.6109 -2.6109 -2.2013 -2.2013 -2.1944 -2.1944 -2.1706 -2.1706 -2.1646 -2.1646 -2.1385 -2.1385 -2.1297 -2.1297 2.2591 2.2591 4.4257 4.4257 5.5891 5.5891 5.7948 5.7948 5.8988 5.8988 6.1999 6.1999 6.6895 6.6895 6.8943 6.8943 7.0310 7.0310 7.3625 7.3625 7.7061 7.7061 8.1788 8.1788 9.3347 9.3347 10.7753 10.7753 10.9007 10.9007 11.4324 11.4324 12.8307 12.8307 12.9345 12.9345 13.6908 13.6908 13.7727 13.7727 14.2961 14.2961 14.5237 14.5237 14.7830 14.7830 16.0679 16.0679 k = 0.0238 0.0137-0.0000 ( 4396 PWs) bands (ev): -2.6441 -2.6441 -2.6270 -2.6270 -2.6235 -2.6235 -2.6110 -2.6110 -2.2013 -2.2013 -2.1944 -2.1944 -2.1707 -2.1707 -2.1646 -2.1646 -2.1385 -2.1385 -2.1297 -2.1297 2.2643 2.2643 4.4268 4.4268 5.5916 5.5916 5.7942 5.7942 5.8994 5.8994 6.1977 6.1977 6.6927 6.6927 6.8926 6.8926 7.0236 7.0236 7.3808 7.3808 7.7058 7.7058 8.1783 8.1783 9.3344 9.3344 10.7670 10.7670 10.8923 10.8923 11.4403 11.4403 12.7978 12.7978 12.9321 12.9321 13.6805 13.6805 13.7656 13.7656 14.2964 14.2964 14.5195 14.5195 14.7996 14.7996 16.0539 16.0539 k = 0.0357 0.0206-0.0000 ( 4402 PWs) bands (ev): -2.6441 -2.6441 -2.6271 -2.6271 -2.6234 -2.6234 -2.6112 -2.6112 -2.2014 -2.2014 -2.1945 -2.1945 -2.1709 -2.1709 -2.1646 -2.1646 -2.1384 -2.1384 -2.1297 -2.1297 2.2730 2.2730 4.4287 4.4287 5.5957 5.5957 5.7931 5.7931 5.9003 5.9003 6.1942 6.1942 6.6979 6.6979 6.8897 6.8897 7.0133 7.0133 7.4094 7.4094 7.7053 7.7053 8.1773 8.1773 9.3338 9.3338 10.7508 10.7508 10.8822 10.8822 11.4523 11.4523 12.7499 12.7499 12.9217 12.9217 13.6599 13.6599 13.7579 13.7579 14.2958 14.2958 14.5139 14.5139 14.8269 14.8269 16.0239 16.0239 k = 0.0476 0.0275-0.0000 ( 4402 PWs) bands (ev): -2.6441 -2.6441 -2.6272 -2.6272 -2.6233 -2.6233 -2.6114 -2.6114 -2.2014 -2.2014 -2.1945 -2.1945 -2.1710 -2.1710 -2.1646 -2.1646 -2.1383 -2.1383 -2.1298 -2.1298 2.2852 2.2852 4.4313 4.4313 5.6013 5.6013 5.7916 5.7916 5.9015 5.9015 6.1894 6.1894 6.7052 6.7052 6.8856 6.8856 7.0020 7.0020 7.4461 7.4461 7.7045 7.7045 8.1759 8.1759 9.3330 9.3330 10.7243 10.7243 10.8740 10.8740 11.4670 11.4670 12.6904 12.6904 12.9010 12.9010 13.6270 13.6270 13.7526 13.7526 14.2926 14.2926 14.5087 14.5087 14.8647 14.8647 15.9742 15.9742 k = 0.0595 0.0344-0.0000 ( 4406 PWs) bands (ev): -2.6441 -2.6441 -2.6273 -2.6273 -2.6231 -2.6231 -2.6116 -2.6116 -2.2014 -2.2014 -2.1945 -2.1945 -2.1713 -2.1713 -2.1647 -2.1647 -2.1381 -2.1381 -2.1298 -2.1298 2.3008 2.3008 4.4348 4.4348 5.6085 5.6085 5.7896 5.7896 5.9032 5.9032 6.1835 6.1835 6.7144 6.7144 6.8804 6.8804 6.9912 6.9912 7.4892 7.4892 7.7036 7.7036 8.1743 8.1743 9.3320 9.3320 10.6873 10.6873 10.8696 10.8696 11.4831 11.4831 12.6212 12.6212 12.8690 12.8690 13.5823 13.5823 13.7502 13.7502 14.2853 14.2853 14.5059 14.5059 14.9126 14.9126 15.9087 15.9087 k = 0.0714 0.0412-0.0000 ( 4408 PWs) bands (ev): -2.6441 -2.6441 -2.6275 -2.6275 -2.6229 -2.6229 -2.6119 -2.6119 -2.2015 -2.2015 -2.1945 -2.1945 -2.1716 -2.1716 -2.1647 -2.1647 -2.1379 -2.1379 -2.1300 -2.1300 2.3198 2.3198 4.4391 4.4391 5.6170 5.6170 5.7870 5.7870 5.9052 5.9052 6.1767 6.1767 6.7256 6.7256 6.8743 6.8743 6.9819 6.9819 7.5376 7.5376 7.7026 7.7026 8.1723 8.1723 9.3307 9.3307 10.6411 10.6411 10.8688 10.8688 11.4995 11.4995 12.5436 12.5436 12.8260 12.8260 13.5279 13.5279 13.7501 13.7501 14.2729 14.2729 14.5068 14.5068 14.9698 14.9698 15.8354 15.8354 k = 0.0833 0.0481-0.0000 ( 4408 PWs) bands (ev): -2.6441 -2.6441 -2.6277 -2.6277 -2.6227 -2.6227 -2.6122 -2.6122 -2.2015 -2.2015 -2.1945 -2.1945 -2.1719 -2.1719 -2.1648 -2.1648 -2.1377 -2.1377 -2.1300 -2.1300 2.3422 2.3422 4.4441 4.4441 5.6269 5.6269 5.7839 5.7839 5.9077 5.9077 6.1693 6.1693 6.7387 6.7387 6.8674 6.8674 6.9744 6.9744 7.5899 7.5899 7.7016 7.7016 8.1700 8.1700 9.3292 9.3292 10.5877 10.5877 10.8710 10.8710 11.5153 11.5153 12.4588 12.4588 12.7725 12.7725 13.4655 13.4655 13.7515 13.7515 14.2553 14.2553 14.5117 14.5117 15.0359 15.0359 15.7612 15.7612 k = 0.0952 0.0550-0.0000 ( 4410 PWs) bands (ev): -2.6440 -2.6440 -2.6279 -2.6279 -2.6226 -2.6226 -2.6126 -2.6126 -2.2015 -2.2015 -2.1946 -2.1946 -2.1723 -2.1723 -2.1649 -2.1649 -2.1375 -2.1375 -2.1300 -2.1300 2.3680 2.3680 4.4501 4.4501 5.6378 5.6378 5.7803 5.7803 5.9105 5.9105 6.1613 6.1613 6.7534 6.7534 6.8603 6.8603 6.9689 6.9689 7.6448 7.6448 7.7016 7.7016 8.1676 8.1676 9.3274 9.3274 10.5286 10.5286 10.8754 10.8754 11.5299 11.5299 12.3677 12.3677 12.7092 12.7092 13.3968 13.3968 13.7540 13.7540 14.2335 14.2335 14.5200 14.5200 15.1098 15.1098 15.6901 15.6901 k = 0.1071 0.0619-0.0000 ( 4410 PWs) bands (ev): -2.6440 -2.6440 -2.6281 -2.6281 -2.6223 -2.6223 -2.6130 -2.6130 -2.2015 -2.2015 -2.1946 -2.1946 -2.1727 -2.1727 -2.1649 -2.1649 -2.1373 -2.1373 -2.1300 -2.1300 2.3970 2.3970 4.4569 4.4569 5.6496 5.6496 5.7762 5.7762 5.9138 5.9138 6.1532 6.1532 6.7697 6.7697 6.8535 6.8535 6.9653 6.9653 7.6878 7.6878 7.7161 7.7161 8.1650 8.1650 9.3254 9.3254 10.4649 10.4649 10.8816 10.8816 11.5429 11.5429 12.2711 12.2711 12.6373 12.6373 13.3232 13.3232 13.7576 13.7576 14.2086 14.2086 14.5308 14.5308 15.1905 15.1905 15.6248 15.6248 k = 0.1190 0.0687-0.0000 ( 4410 PWs) bands (ev): -2.6439 -2.6439 -2.6283 -2.6283 -2.6222 -2.6222 -2.6134 -2.6134 -2.2015 -2.2015 -2.1946 -2.1946 -2.1731 -2.1731 -2.1650 -2.1650 -2.1370 -2.1370 -2.1300 -2.1300 2.4293 2.4293 4.4645 4.4645 5.6618 5.6618 5.7718 5.7718 5.9175 5.9175 6.1452 6.1452 6.7872 6.7872 6.8476 6.8476 6.9634 6.9634 7.6921 7.6921 7.7715 7.7715 8.1625 8.1625 9.3230 9.3230 10.3976 10.3976 10.8893 10.8893 11.5539 11.5539 12.1698 12.1698 12.5578 12.5578 13.2460 13.2460 13.7619 13.7619 14.1814 14.1814 14.5433 14.5433 15.2763 15.2763 15.5670 15.5670 k = 0.1310 0.0756-0.0000 ( 4398 PWs) bands (ev): -2.6437 -2.6437 -2.6285 -2.6285 -2.6220 -2.6220 -2.6138 -2.6138 -2.2014 -2.2014 -2.1947 -2.1947 -2.1735 -2.1735 -2.1651 -2.1651 -2.1367 -2.1367 -2.1300 -2.1300 2.4648 2.4648 4.4731 4.4731 5.6740 5.6740 5.7676 5.7676 5.9216 5.9216 6.1375 6.1375 6.8048 6.8048 6.8437 6.8437 6.9630 6.9630 7.6908 7.6908 7.8342 7.8342 8.1602 8.1602 9.3203 9.3203 10.3272 10.3272 10.8983 10.8983 11.5626 11.5626 12.0646 12.0646 12.4721 12.4721 13.1662 13.1662 13.7670 13.7670 14.1528 14.1528 14.5567 14.5567 15.3631 15.3631 15.5194 15.5194 k = 0.1429 0.0825-0.0000 ( 4394 PWs) bands (ev): -2.6436 -2.6436 -2.6287 -2.6287 -2.6218 -2.6218 -2.6142 -2.6142 -2.2014 -2.2014 -2.1947 -2.1947 -2.1740 -2.1740 -2.1652 -2.1652 -2.1365 -2.1365 -2.1299 -2.1299 2.5034 2.5034 4.4826 4.4826 5.6852 5.6852 5.7642 5.7642 5.9261 5.9261 6.1304 6.1304 6.8181 6.8181 6.8465 6.8465 6.9640 6.9640 7.6887 7.6887 7.8983 7.8983 8.1587 8.1587 9.3173 9.3173 10.2544 10.2544 10.9086 10.9086 11.5688 11.5688 11.9562 11.9562 12.3813 12.3813 13.0850 13.0850 13.7728 13.7728 14.1233 14.1233 14.5706 14.5706 15.4282 15.4282 15.5009 15.5009 k = 0.1548 0.0894-0.0000 ( 4402 PWs) bands (ev): -2.6435 -2.6435 -2.6289 -2.6289 -2.6217 -2.6217 -2.6148 -2.6148 -2.2015 -2.2015 -2.1948 -2.1948 -2.1746 -2.1746 -2.1653 -2.1653 -2.1362 -2.1362 -2.1300 -2.1300 2.5451 2.5451 4.4931 4.4931 5.6939 5.6939 5.7630 5.7630 5.9309 5.9309 6.1242 6.1242 6.8215 6.8215 6.8615 6.8615 6.9663 6.9663 7.6862 7.6862 7.9620 7.9620 8.1592 8.1592 9.3139 9.3139 10.1796 10.1796 10.9200 10.9200 11.5719 11.5719 11.8457 11.8457 12.2865 12.2865 13.0033 13.0033 13.7791 13.7791 14.0931 14.0931 14.5845 14.5845 15.4184 15.4184 15.5557 15.5557 k = 0.1667 0.0962-0.0000 ( 4398 PWs) bands (ev): -2.6434 -2.6434 -2.6291 -2.6291 -2.6215 -2.6215 -2.6153 -2.6153 -2.2015 -2.2015 -2.1948 -2.1948 -2.1752 -2.1752 -2.1653 -2.1653 -2.1359 -2.1359 -2.1300 -2.1300 2.5897 2.5897 4.5044 4.5044 5.6980 5.6980 5.7657 5.7657 5.9362 5.9362 6.1191 6.1191 6.8203 6.8203 6.8831 6.8831 6.9700 6.9700 7.6834 7.6834 8.0217 8.0217 8.1645 8.1645 9.3100 9.3100 10.1035 10.1035 10.9325 10.9325 11.5707 11.5707 11.7347 11.7347 12.1888 12.1888 12.9220 12.9220 13.7859 13.7859 14.0625 14.0625 14.5984 14.5984 15.3918 15.3918 15.5977 15.5977 k = 0.1786 0.1031-0.0000 ( 4398 PWs) bands (ev): -2.6433 -2.6433 -2.6293 -2.6293 -2.6214 -2.6214 -2.6159 -2.6159 -2.2015 -2.2015 -2.1948 -2.1948 -2.1758 -2.1758 -2.1654 -2.1654 -2.1356 -2.1356 -2.1300 -2.1300 2.6372 2.6372 4.5167 4.5167 5.6969 5.6969 5.7729 5.7729 5.9419 5.9419 6.1154 6.1154 6.8188 6.8188 6.9070 6.9070 6.9750 6.9750 7.6804 7.6804 8.0687 8.0687 8.1827 8.1827 9.3056 9.3056 10.0264 10.0264 10.9461 10.9461 11.5570 11.5570 11.6320 11.6320 12.0892 12.0892 12.8420 12.8420 13.7933 13.7933 14.0318 14.0318 14.6119 14.6119 15.3667 15.3667 15.5673 15.5673 k = 0.1905 0.1100-0.0000 ( 4398 PWs) bands (ev): -2.6431 -2.6431 -2.6295 -2.6295 -2.6213 -2.6213 -2.6164 -2.6164 -2.2016 -2.2016 -2.1949 -2.1949 -2.1764 -2.1764 -2.1654 -2.1654 -2.1353 -2.1353 -2.1300 -2.1300 2.6874 2.6874 4.5300 4.5300 5.6916 5.6916 5.7832 5.7832 5.9480 5.9480 6.1133 6.1133 6.8178 6.8178 6.9316 6.9316 6.9819 6.9819 7.6772 7.6772 8.0931 8.0931 8.2232 8.2232 9.3005 9.3005 9.9491 9.9491 10.9607 10.9607 11.4842 11.4842 11.5846 11.5846 11.9885 11.9885 12.7642 12.7642 13.8010 13.8010 14.0010 14.0010 14.6250 14.6250 15.3383 15.3383 15.4888 15.4888 k = 0.2024 0.1168-0.0000 ( 4392 PWs) bands (ev): -2.6430 -2.6430 -2.6297 -2.6297 -2.6212 -2.6212 -2.6169 -2.6169 -2.2016 -2.2016 -2.1949 -2.1949 -2.1771 -2.1771 -2.1654 -2.1654 -2.1350 -2.1350 -2.1300 -2.1300 2.7403 2.7403 4.5441 4.5441 5.6837 5.6837 5.7950 5.7950 5.9546 5.9546 6.1131 6.1131 6.8176 6.8176 6.9547 6.9547 6.9922 6.9922 7.6739 7.6739 8.1006 8.1006 8.2793 8.2793 9.2947 9.2947 9.8726 9.8726 10.9763 10.9763 11.3748 11.3748 11.5703 11.5703 11.8875 11.8875 12.6894 12.6894 13.8090 13.8090 13.9704 13.9704 14.6376 14.6376 15.2856 15.2856 15.4222 15.4222 k = 0.2143 0.1237-0.0000 ( 4390 PWs) bands (ev): -2.6428 -2.6428 -2.6299 -2.6299 -2.6212 -2.6212 -2.6174 -2.6174 -2.2016 -2.2016 -2.1949 -2.1949 -2.1777 -2.1777 -2.1654 -2.1654 -2.1347 -2.1347 -2.1301 -2.1301 2.7956 2.7956 4.5591 4.5591 5.6742 5.6742 5.8067 5.8067 5.9619 5.9619 6.1151 6.1151 6.8184 6.8184 6.9727 6.9727 7.0092 7.0092 7.6704 7.6704 8.1010 8.1010 8.3402 8.3402 9.2879 9.2879 9.7978 9.7978 10.9927 10.9927 11.2615 11.2615 11.5567 11.5567 11.7873 11.7873 12.6184 12.6184 13.8172 13.8172 13.9402 13.9402 14.6494 14.6494 15.1950 15.1950 15.3958 15.3958 k = 0.2262 0.1306-0.0000 ( 4390 PWs) bands (ev): -2.6427 -2.6427 -2.6300 -2.6300 -2.6213 -2.6213 -2.6179 -2.6179 -2.2017 -2.2017 -2.1949 -2.1949 -2.1784 -2.1784 -2.1654 -2.1654 -2.1345 -2.1345 -2.1301 -2.1301 2.8533 2.8533 4.5749 4.5749 5.6638 5.6638 5.8177 5.8177 5.9697 5.9697 6.1193 6.1193 6.8200 6.8200 6.9848 6.9848 7.0335 7.0335 7.6668 7.6668 8.0985 8.0985 8.4002 8.4002 9.2799 9.2799 9.7264 9.7264 11.0094 11.0094 11.1489 11.1489 11.5392 11.5392 11.6891 11.6891 12.5519 12.5519 13.8253 13.8253 13.9108 13.9108 14.6603 14.6603 15.0891 15.0891 15.3909 15.3909 k = 0.2381 0.1375-0.0000 ( 4392 PWs) bands (ev): -2.6425 -2.6425 -2.6302 -2.6302 -2.6215 -2.6215 -2.6183 -2.6183 -2.2017 -2.2017 -2.1950 -2.1950 -2.1790 -2.1790 -2.1654 -2.1654 -2.1343 -2.1343 -2.1301 -2.1301 2.9131 2.9131 4.5916 4.5916 5.6529 5.6529 5.8273 5.8273 5.9781 5.9781 6.1261 6.1261 6.8225 6.8225 6.9939 6.9939 7.0618 7.0618 7.6631 7.6631 8.0945 8.0945 8.4560 8.4560 9.2702 9.2702 9.6606 9.6606 11.0166 11.0166 11.0485 11.0485 11.5128 11.5128 11.5975 11.5975 12.4907 12.4907 13.8327 13.8327 13.8827 13.8827 14.6697 14.6697 14.9821 14.9821 15.3920 15.3920 k = 0.2500 0.1443-0.0000 ( 4392 PWs) bands (ev): -2.6424 -2.6424 -2.6304 -2.6304 -2.6218 -2.6218 -2.6186 -2.6186 -2.2018 -2.2018 -2.1950 -2.1950 -2.1798 -2.1798 -2.1653 -2.1653 -2.1341 -2.1341 -2.1301 -2.1301 2.9748 2.9748 4.6089 4.6089 5.6420 5.6420 5.8353 5.8353 5.9870 5.9870 6.1354 6.1354 6.8256 6.8256 7.0019 7.0019 7.0919 7.0919 7.6593 7.6593 8.0896 8.0896 8.5043 8.5043 9.2584 9.2584 9.6032 9.6032 10.9241 10.9241 11.0509 11.0509 11.4595 11.4595 11.5308 11.5308 12.4352 12.4352 13.8351 13.8351 13.8603 13.8603 14.6759 14.6759 14.8797 14.8797 15.3603 15.3603 k = 0.2619 0.1512-0.0000 ( 4392 PWs) bands (ev): -2.6422 -2.6422 -2.6305 -2.6305 -2.6221 -2.6221 -2.6188 -2.6188 -2.2019 -2.2019 -2.1950 -2.1950 -2.1805 -2.1805 -2.1653 -2.1653 -2.1339 -2.1339 -2.1300 -2.1300 3.0382 3.0382 4.6270 4.6270 5.6311 5.6311 5.8416 5.8416 5.9963 5.9963 6.1472 6.1472 6.8294 6.8294 7.0095 7.0095 7.1230 7.1230 7.6555 7.6555 8.0839 8.0839 8.5419 8.5419 9.2440 9.2440 9.5576 9.5576 10.8192 10.8192 11.0694 11.0694 11.3757 11.3757 11.4930 11.4930 12.3858 12.3858 13.8185 13.8185 13.8576 13.8576 14.6718 14.6718 14.7907 14.7907 15.2615 15.2615 k = 0.2738 0.1581-0.0000 ( 4396 PWs) bands (ev): -2.6421 -2.6421 -2.6307 -2.6307 -2.6227 -2.6227 -2.6189 -2.6189 -2.2019 -2.2019 -2.1949 -2.1949 -2.1813 -2.1813 -2.1652 -2.1652 -2.1337 -2.1337 -2.1300 -2.1300 3.1031 3.1031 4.6456 4.6456 5.6207 5.6207 5.8463 5.8463 6.0059 6.0059 6.1614 6.1614 6.8335 6.8335 7.0167 7.0167 7.1546 7.1546 7.6516 7.6516 8.0777 8.0777 8.5651 8.5651 9.2269 9.2269 9.5272 9.5272 10.7179 10.7179 11.0882 11.0882 11.2862 11.2862 11.4608 11.4608 12.3428 12.3428 13.7936 13.7936 13.8637 13.8637 14.6308 14.6308 14.7422 14.7422 15.1522 15.1522 k = 0.2857 0.1650-0.0000 ( 4406 PWs) bands (ev): -2.6420 -2.6420 -2.6308 -2.6308 -2.6232 -2.6232 -2.6190 -2.6190 -2.2021 -2.2021 -2.1949 -2.1949 -2.1820 -2.1820 -2.1652 -2.1652 -2.1336 -2.1336 -2.1300 -2.1300 3.1692 3.1692 4.6647 4.6647 5.6109 5.6109 5.8495 5.8495 6.0156 6.0156 6.1779 6.1779 6.8378 6.8378 7.0235 7.0235 7.1863 7.1863 7.6479 7.6479 8.0709 8.0709 8.5711 8.5711 9.2077 9.2077 9.5140 9.5140 10.6214 10.6214 11.1027 11.1027 11.2016 11.2016 11.4281 11.4281 12.3060 12.3060 13.7683 13.7683 13.8706 13.8706 14.5534 14.5534 14.7340 14.7340 15.0447 15.0447 k = 0.2976 0.1718-0.0000 ( 4406 PWs) bands (ev): -2.6418 -2.6418 -2.6310 -2.6310 -2.6238 -2.6238 -2.6190 -2.6190 -2.2021 -2.2021 -2.1949 -2.1949 -2.1827 -2.1827 -2.1651 -2.1651 -2.1335 -2.1335 -2.1299 -2.1299 3.2361 3.2361 4.6841 4.6841 5.6019 5.6019 5.8516 5.8516 6.0254 6.0254 6.1961 6.1961 6.8419 6.8419 7.0301 7.0301 7.2180 7.2180 7.6442 7.6442 8.0635 8.0635 8.5588 8.5588 9.1871 9.1871 9.5182 9.5182 10.5307 10.5307 11.0797 11.0797 11.1563 11.1563 11.3944 11.3944 12.2752 12.2752 13.7438 13.7438 13.8770 13.8770 14.4698 14.4698 14.7350 14.7350 14.9420 14.9420 k = 0.3095 0.1787-0.0000 ( 4408 PWs) bands (ev): -2.6416 -2.6416 -2.6312 -2.6312 -2.6244 -2.6244 -2.6190 -2.6190 -2.2022 -2.2022 -2.1949 -2.1949 -2.1834 -2.1834 -2.1651 -2.1651 -2.1334 -2.1334 -2.1299 -2.1299 3.3035 3.3035 4.7038 4.7038 5.5941 5.5941 5.8528 5.8528 6.0352 6.0352 6.2159 6.2159 6.8454 6.8454 7.0364 7.0364 7.2492 7.2492 7.6408 7.6408 8.0554 8.0554 8.5293 8.5293 9.1658 9.1658 9.5377 9.5377 10.4466 10.4466 11.0042 11.0042 11.1651 11.1651 11.3606 11.3606 12.2500 12.2500 13.7202 13.7202 13.8823 13.8823 14.3885 14.3885 14.7323 14.7323 14.8496 14.8496 k = 0.3214 0.1856-0.0000 ( 4406 PWs) bands (ev): -2.6415 -2.6415 -2.6313 -2.6313 -2.6249 -2.6249 -2.6190 -2.6190 -2.2023 -2.2023 -2.1949 -2.1949 -2.1840 -2.1840 -2.1650 -2.1650 -2.1334 -2.1334 -2.1298 -2.1298 3.3710 3.3710 4.7236 4.7236 5.5875 5.5875 5.8532 5.8532 6.0451 6.0451 6.2368 6.2368 6.8479 6.8479 7.0424 7.0424 7.2797 7.2797 7.6378 7.6378 8.0463 8.0463 8.4862 8.4862 9.1434 9.1434 9.5693 9.5693 10.3699 10.3699 10.9224 10.9224 11.1805 11.1805 11.3293 11.3293 12.2299 12.2299 13.6977 13.6977 13.8860 13.8860 14.3116 14.3116 14.7010 14.7010 14.7913 14.7913 k = 0.3333 0.1925-0.0000 ( 4398 PWs) bands (ev): -2.6413 -2.6413 -2.6314 -2.6314 -2.6255 -2.6255 -2.6189 -2.6189 -2.2023 -2.2023 -2.1948 -2.1948 -2.1847 -2.1847 -2.1649 -2.1649 -2.1333 -2.1333 -2.1296 -2.1296 3.4381 3.4381 4.7434 4.7434 5.5824 5.5824 5.8530 5.8530 6.0553 6.0553 6.2583 6.2583 6.8489 6.8489 7.0484 7.0484 7.3089 7.3089 7.6355 7.6355 8.0362 8.0362 8.4335 8.4335 9.1197 9.1197 9.6092 9.6092 10.3018 10.3018 10.8420 10.8420 11.1903 11.1903 11.3055 11.3055 12.2143 12.2143 13.6763 13.6763 13.8874 13.8874 14.2397 14.2397 14.6284 14.6284 14.7801 14.7801 k = 0.3452 0.1993-0.0000 ( 4402 PWs) bands (ev): -2.6412 -2.6412 -2.6315 -2.6315 -2.6261 -2.6261 -2.6189 -2.6189 -2.2024 -2.2024 -2.1947 -2.1947 -2.1853 -2.1853 -2.1648 -2.1648 -2.1333 -2.1333 -2.1295 -2.1295 3.5044 3.5044 4.7630 4.7630 5.5790 5.5790 5.8525 5.8525 6.0657 6.0657 6.2801 6.2801 6.8475 6.8475 7.0543 7.0543 7.3363 7.3363 7.6341 7.6341 8.0246 8.0246 8.3754 8.3754 9.0942 9.0942 9.6534 9.6534 10.2430 10.2430 10.7646 10.7646 11.1859 11.1859 11.2975 11.2975 12.2026 12.2026 13.6560 13.6560 13.8859 13.8859 14.1732 14.1732 14.5489 14.5489 14.7822 14.7822 k = 0.3571 0.2062-0.0000 ( 4410 PWs) bands (ev): -2.6410 -2.6410 -2.6317 -2.6317 -2.6266 -2.6266 -2.6190 -2.6190 -2.2025 -2.2025 -2.1947 -2.1947 -2.1860 -2.1860 -2.1647 -2.1647 -2.1334 -2.1334 -2.1294 -2.1294 3.5693 3.5693 4.7822 4.7822 5.5775 5.5775 5.8516 5.8516 6.0765 6.0765 6.3019 6.3019 6.8433 6.8433 7.0605 7.0605 7.3612 7.3612 7.6340 7.6340 8.0112 8.0112 8.3157 8.3157 9.0669 9.0669 9.6980 9.6980 10.1950 10.1950 10.6907 10.6907 11.1664 11.1664 11.3064 11.3064 12.1943 12.1943 13.6368 13.6368 13.8804 13.8804 14.1122 14.1122 14.4742 14.4742 14.7870 14.7870 k = 0.3690 0.2131-0.0000 ( 4426 PWs) bands (ev): -2.6409 -2.6409 -2.6318 -2.6318 -2.6272 -2.6272 -2.6190 -2.6190 -2.2026 -2.2026 -2.1947 -2.1947 -2.1867 -2.1867 -2.1647 -2.1647 -2.1335 -2.1335 -2.1293 -2.1293 3.6322 3.6322 4.8008 4.8008 5.5779 5.5779 5.8505 5.8505 6.0880 6.0880 6.3232 6.3232 6.8354 6.8354 7.0672 7.0672 7.3830 7.3830 7.6359 7.6359 7.9956 7.9956 8.2575 8.2575 9.0382 9.0382 9.7391 9.7391 10.1593 10.1593 10.6208 10.6208 11.1398 11.1398 11.3244 11.3244 12.1889 12.1889 13.6186 13.6186 13.8703 13.8703 14.0566 14.0566 14.4076 14.4076 14.7924 14.7924 k = 0.3810 0.2199-0.0000 ( 4426 PWs) bands (ev): -2.6408 -2.6408 -2.6319 -2.6319 -2.6277 -2.6277 -2.6190 -2.6190 -2.2027 -2.2027 -2.1946 -2.1946 -2.1872 -2.1872 -2.1646 -2.1646 -2.1336 -2.1336 -2.1292 -2.1292 3.6926 3.6926 4.8187 4.8187 5.5802 5.5802 5.8492 5.8492 6.1002 6.1002 6.3436 6.3436 6.8234 6.8234 7.0744 7.0744 7.4007 7.4007 7.6400 7.6400 7.9773 7.9773 8.2035 8.2035 9.0086 9.0086 9.7726 9.7726 10.1376 10.1376 10.5553 10.5553 11.1120 11.1120 11.3460 11.3460 12.1858 12.1858 13.6015 13.6015 13.8549 13.8549 14.0062 14.0062 14.3506 14.3506 14.7978 14.7978 k = 0.3929 0.2268-0.0000 ( 4424 PWs) bands (ev): -2.6407 -2.6407 -2.6320 -2.6320 -2.6282 -2.6282 -2.6190 -2.6190 -2.2027 -2.2027 -2.1945 -2.1945 -2.1878 -2.1878 -2.1645 -2.1645 -2.1336 -2.1336 -2.1291 -2.1291 3.7497 3.7497 4.8357 4.8357 5.5846 5.5846 5.8478 5.8478 6.1135 6.1135 6.3627 6.3627 6.8070 6.8070 7.0824 7.0824 7.4140 7.4140 7.6468 7.6468 7.9563 7.9563 8.1558 8.1558 8.9788 8.9788 9.7957 9.7957 10.1310 10.1310 10.4945 10.4945 11.0855 11.0855 11.3688 11.3688 12.1847 12.1847 13.5854 13.5854 13.8345 13.8345 13.9607 13.9607 14.3043 14.3043 14.8029 14.8029 k = 0.4048 0.2337-0.0000 ( 4424 PWs) bands (ev): -2.6405 -2.6405 -2.6321 -2.6321 -2.6286 -2.6286 -2.6190 -2.6190 -2.2028 -2.2028 -2.1944 -2.1944 -2.1883 -2.1883 -2.1644 -2.1644 -2.1336 -2.1336 -2.1289 -2.1289 3.8030 3.8030 4.8516 4.8516 5.5907 5.5907 5.8463 5.8463 6.1281 6.1281 6.3800 6.3800 6.7862 6.7862 7.0910 7.0910 7.4224 7.4224 7.6560 7.6560 7.9332 7.9332 8.1152 8.1152 8.9495 8.9495 9.8076 9.8076 10.1382 10.1382 10.4390 10.4390 11.0616 11.0616 11.3915 11.3915 12.1852 12.1852 13.5703 13.5703 13.8099 13.8099 13.9194 13.9194 14.2684 14.2684 14.8077 14.8077 k = 0.4167 0.2406-0.0000 ( 4424 PWs) bands (ev): -2.6404 -2.6404 -2.6322 -2.6322 -2.6289 -2.6289 -2.6190 -2.6190 -2.2028 -2.2028 -2.1943 -2.1943 -2.1887 -2.1887 -2.1643 -2.1643 -2.1337 -2.1337 -2.1288 -2.1288 3.8518 3.8518 4.8661 4.8661 5.5984 5.5984 5.8448 5.8448 6.1442 6.1442 6.3949 6.3949 6.7614 6.7614 7.1001 7.1001 7.4265 7.4265 7.6668 7.6668 7.9098 7.9098 8.0813 8.0813 8.9217 8.9217 9.8107 9.8107 10.1552 10.1552 10.3890 10.3890 11.0409 11.0409 11.4133 11.4133 12.1868 12.1868 13.5562 13.5562 13.7830 13.7830 13.8824 13.8824 14.2419 14.2419 14.8120 14.8120 k = 0.4286 0.2474-0.0000 ( 4420 PWs) bands (ev): -2.6403 -2.6403 -2.6323 -2.6323 -2.6293 -2.6293 -2.6189 -2.6189 -2.2028 -2.2028 -2.1942 -2.1942 -2.1891 -2.1891 -2.1642 -2.1642 -2.1337 -2.1337 -2.1287 -2.1287 3.8955 3.8955 4.8792 4.8792 5.6072 5.6072 5.8433 5.8433 6.1621 6.1621 6.4068 6.4068 6.7336 6.7336 7.1094 7.1094 7.4269 7.4269 7.6779 7.6779 7.8888 7.8888 8.0530 8.0530 8.8960 8.8960 9.8084 9.8084 10.1769 10.1769 10.3451 10.3451 11.0236 11.0236 11.4337 11.4337 12.1892 12.1892 13.5432 13.5432 13.7555 13.7555 13.8499 13.8499 14.2232 14.2232 14.8158 14.8158 k = 0.4405 0.2543-0.0000 ( 4420 PWs) bands (ev): -2.6402 -2.6402 -2.6323 -2.6323 -2.6296 -2.6296 -2.6190 -2.6190 -2.2029 -2.2029 -2.1941 -2.1941 -2.1895 -2.1895 -2.1641 -2.1641 -2.1338 -2.1338 -2.1286 -2.1286 3.9334 3.9334 4.8905 4.8905 5.6165 5.6165 5.8418 5.8418 6.1818 6.1818 6.4147 6.4147 6.7046 6.7046 7.1186 7.1186 7.4247 7.4247 7.6877 7.6877 7.8727 7.8727 8.0288 8.0288 8.8732 8.8732 9.8037 9.8037 10.1987 10.1987 10.3080 10.3080 11.0098 11.0098 11.4520 11.4520 12.1920 12.1920 13.5313 13.5313 13.7291 13.7291 13.8222 13.8222 14.2103 14.2103 14.8190 14.8190 k = 0.4524 0.2612-0.0000 ( 4418 PWs) bands (ev): -2.6401 -2.6401 -2.6323 -2.6323 -2.6298 -2.6298 -2.6190 -2.6190 -2.2029 -2.2029 -2.1940 -2.1940 -2.1898 -2.1898 -2.1640 -2.1640 -2.1338 -2.1338 -2.1286 -2.1286 3.9652 3.9652 4.9001 4.9001 5.6257 5.6257 5.8404 5.8404 6.2031 6.2031 6.4179 6.4179 6.6765 6.6765 7.1272 7.1272 7.4210 7.4210 7.6947 7.6947 7.8633 7.8633 8.0075 8.0075 8.8539 8.8539 9.7984 9.7984 10.2165 10.2165 10.2796 10.2796 10.9994 10.9994 11.4678 11.4678 12.1948 12.1948 13.5209 13.5209 13.7053 13.7053 13.7998 13.7998 14.2017 14.2017 14.8216 14.8216 k = 0.4643 0.2681-0.0000 ( 4416 PWs) bands (ev): -2.6401 -2.6401 -2.6323 -2.6323 -2.6299 -2.6299 -2.6189 -2.6189 -2.2029 -2.2029 -2.1939 -2.1939 -2.1901 -2.1901 -2.1640 -2.1640 -2.1338 -2.1338 -2.1285 -2.1285 3.9904 3.9904 4.9077 4.9077 5.6339 5.6339 5.8392 5.8392 6.2255 6.2255 6.4155 6.4155 6.6520 6.6520 7.1347 7.1347 7.4168 7.4168 7.6984 7.6984 7.8608 7.8608 7.9888 7.9888 8.8384 8.8384 9.7937 9.7937 10.2238 10.2238 10.2647 10.2647 10.9919 10.9919 11.4807 11.4807 12.1975 12.1975 13.5122 13.5122 13.6856 13.6856 13.7826 13.7826 14.1961 14.1961 14.8236 14.8236 k = 0.4762 0.2749-0.0000 ( 4416 PWs) bands (ev): -2.6400 -2.6400 -2.6324 -2.6324 -2.6301 -2.6301 -2.6189 -2.6189 -2.2029 -2.2029 -2.1938 -2.1938 -2.1903 -2.1903 -2.1639 -2.1639 -2.1339 -2.1339 -2.1284 -2.1284 4.0086 4.0086 4.9132 4.9132 5.6405 5.6405 5.8382 5.8382 6.2471 6.2471 6.4081 6.4081 6.6334 6.6334 7.1405 7.1405 7.4130 7.4130 7.6996 7.6996 7.8633 7.8633 7.9731 7.9731 8.8271 8.8271 9.7901 9.7901 10.2176 10.2176 10.2657 10.2657 10.9870 10.9870 11.4902 11.4902 12.1996 12.1996 13.5056 13.5056 13.6709 13.6709 13.7705 13.7705 14.1926 14.1926 14.8250 14.8250 k = 0.4881 0.2818-0.0000 ( 4412 PWs) bands (ev): -2.6400 -2.6400 -2.6323 -2.6323 -2.6302 -2.6302 -2.6189 -2.6189 -2.2029 -2.2029 -2.1938 -2.1938 -2.1904 -2.1904 -2.1639 -2.1639 -2.1339 -2.1339 -2.1284 -2.1284 4.0196 4.0196 4.9165 4.9165 5.6448 5.6448 5.8376 5.8376 6.2643 6.2643 6.3991 6.3991 6.6221 6.6221 7.1443 7.1443 7.4103 7.4103 7.6996 7.6996 7.8675 7.8675 7.9619 7.9619 8.8202 8.8202 9.7878 9.7878 10.2099 10.2099 10.2704 10.2704 10.9842 10.9842 11.4960 11.4960 12.2009 12.2009 13.5014 13.5014 13.6618 13.6618 13.7633 13.7633 14.1907 14.1907 14.8258 14.8258 k = 0.5000 0.2887-0.0000 ( 4418 PWs) bands (ev): -2.6400 -2.6400 -2.6324 -2.6324 -2.6302 -2.6302 -2.6190 -2.6190 -2.2029 -2.2029 -2.1938 -2.1938 -2.1904 -2.1904 -2.1639 -2.1639 -2.1339 -2.1339 -2.1284 -2.1284 4.0233 4.0233 4.9176 4.9176 5.6462 5.6462 5.8374 5.8374 6.2713 6.2713 6.3948 6.3948 6.6183 6.6183 7.1455 7.1455 7.4094 7.4094 7.6995 7.6995 7.8696 7.8696 7.9577 7.9577 8.8180 8.8180 9.7870 9.7870 10.2070 10.2070 10.2723 10.2723 10.9833 10.9833 11.4979 11.4979 12.2014 12.2014 13.5000 13.5000 13.6587 13.6587 13.7609 13.7609 14.1901 14.1901 14.8261 14.8261 k = 0.5000 0.2887-0.0000 ( 4418 PWs) bands (ev): -2.6400 -2.6400 -2.6324 -2.6324 -2.6302 -2.6302 -2.6190 -2.6190 -2.2029 -2.2029 -2.1938 -2.1938 -2.1904 -2.1904 -2.1639 -2.1639 -2.1339 -2.1339 -2.1284 -2.1284 4.0233 4.0233 4.9176 4.9176 5.6462 5.6462 5.8374 5.8374 6.2713 6.2713 6.3948 6.3948 6.6183 6.6183 7.1455 7.1455 7.4094 7.4094 7.6995 7.6995 7.8696 7.8696 7.9577 7.9577 8.8180 8.8180 9.7870 9.7870 10.2070 10.2070 10.2723 10.2723 10.9833 10.9833 11.4979 11.4979 12.2014 12.2014 13.5000 13.5000 13.6587 13.6587 13.7609 13.7609 14.1901 14.1901 14.8261 14.8261 k = 0.4933 0.3002-0.0000 ( 4418 PWs) bands (ev): -2.6402 -2.6399 -2.6326 -2.6321 -2.6306 -2.6298 -2.6191 -2.6188 -2.2030 -2.2029 -2.1938 -2.1938 -2.1910 -2.1899 -2.1644 -2.1634 -2.1342 -2.1337 -2.1284 -2.1283 4.0191 4.0282 4.9141 4.9238 5.6448 5.6494 5.8354 5.8401 6.2686 6.2703 6.3851 6.4086 6.6137 6.6240 7.1408 7.1503 7.3929 7.4256 7.6898 7.7076 7.8664 7.8721 7.9495 7.9667 8.8077 8.8235 9.7659 9.7979 10.1781 10.2432 10.2719 10.2764 10.9791 10.9889 11.4767 11.5036 12.1967 12.2132 13.4886 13.5107 13.6437 13.6541 13.7660 13.7808 14.1916 14.1958 14.8217 14.8272 k = 0.4867 0.3118-0.0000 ( 4418 PWs) bands (ev): -2.6403 -2.6397 -2.6329 -2.6319 -2.6309 -2.6295 -2.6192 -2.6188 -2.2030 -2.2028 -2.1938 -2.1938 -2.1916 -2.1893 -2.1650 -2.1628 -2.1345 -2.1334 -2.1285 -2.1283 4.0157 4.0338 4.9131 4.9325 5.6451 5.6544 5.8343 5.8435 6.2637 6.2644 6.3812 6.4241 6.6108 6.6303 7.1359 7.1553 7.3759 7.4415 7.6784 7.7142 7.8628 7.8737 7.9419 7.9764 8.7931 8.8240 9.7397 9.7939 10.1696 10.2419 10.2670 10.3233 10.9759 10.9958 11.4423 11.4928 12.1999 12.2303 13.4757 13.5212 13.6152 13.6413 13.7890 13.8144 14.2002 14.2085 14.8141 14.8251 k = 0.4800 0.3233-0.0000 ( 4410 PWs) bands (ev): -2.6403 -2.6395 -2.6332 -2.6318 -2.6311 -2.6291 -2.6193 -2.6186 -2.2030 -2.2027 -2.1938 -2.1938 -2.1922 -2.1888 -2.1655 -2.1622 -2.1347 -2.1331 -2.1285 -2.1282 4.0131 4.0401 4.9146 4.9438 5.6472 5.6611 5.8340 5.8475 6.2538 6.2579 6.3831 6.4390 6.6109 6.6368 7.1307 7.1607 7.3585 7.4571 7.6652 7.7196 7.8592 7.8743 7.9350 7.9867 8.7748 8.8192 9.7120 9.7751 10.1799 10.2218 10.2589 10.3899 10.9737 11.0042 11.3979 11.4664 12.2103 12.2508 13.4610 13.5320 13.5835 13.6297 13.8191 13.8524 14.2161 14.2281 14.8034 14.8197 k = 0.4733 0.3349-0.0000 ( 4410 PWs) bands (ev): -2.6404 -2.6393 -2.6335 -2.6321 -2.6311 -2.6288 -2.6194 -2.6185 -2.2030 -2.2026 -2.1939 -2.1938 -2.1928 -2.1883 -2.1660 -2.1617 -2.1350 -2.1328 -2.1286 -2.1282 4.0111 4.0471 4.9185 4.9578 5.6511 5.6693 5.8347 5.8522 6.2400 6.2520 6.3893 6.4512 6.6150 6.6432 7.1248 7.1668 7.3404 7.4725 7.6502 7.7237 7.8560 7.8738 7.9286 7.9977 8.7536 8.8094 9.6851 9.7461 10.1926 10.1943 10.2572 10.4633 10.9720 11.0140 11.3470 11.4269 12.2265 12.2729 13.4446 13.5418 13.5541 13.6222 13.8515 13.8908 14.2390 14.2545 14.7896 14.8112 k = 0.4667 0.3464-0.0000 ( 4412 PWs) bands (ev): -2.6405 -2.6391 -2.6338 -2.6324 -2.6309 -2.6285 -2.6195 -2.6184 -2.2030 -2.2026 -2.1940 -2.1939 -2.1934 -2.1879 -2.1665 -2.1612 -2.1353 -2.1325 -2.1286 -2.1281 4.0099 4.0548 4.9248 4.9743 5.6567 5.6791 5.8362 5.8574 6.2247 6.2465 6.3985 6.4590 6.6243 6.6495 7.1181 7.1736 7.3215 7.4876 7.6332 7.7269 7.8536 7.8722 7.9227 8.0093 8.7302 8.7945 9.6600 9.7125 10.1548 10.1858 10.2826 10.5407 10.9704 11.0252 11.2932 11.3777 12.2465 12.2954 13.4270 13.5214 13.5578 13.6195 13.8837 13.9283 14.2689 14.2870 14.7730 14.7997 k = 0.4600 0.3580-0.0000 ( 4408 PWs) bands (ev): -2.6405 -2.6389 -2.6342 -2.6328 -2.6307 -2.6282 -2.6196 -2.6183 -2.2030 -2.2025 -2.1943 -2.1940 -2.1937 -2.1875 -2.1670 -2.1607 -2.1355 -2.1323 -2.1286 -2.1280 4.0094 4.0631 4.9333 4.9934 5.6639 5.6902 5.8388 5.8631 6.2089 6.2418 6.4094 6.4619 6.6387 6.6555 7.1104 7.1814 7.3017 7.5024 7.6143 7.7293 7.8524 7.8697 7.9172 8.0213 8.7056 8.7752 9.6371 9.6779 10.1082 10.1577 10.3271 10.6203 10.9678 11.0372 11.2400 11.3227 12.2685 12.3173 13.4090 13.4948 13.5715 13.6212 13.9148 13.9639 14.3052 14.3250 14.7538 14.7853 k = 0.4533 0.3695-0.0000 ( 4412 PWs) bands (ev): -2.6406 -2.6387 -2.6345 -2.6333 -2.6306 -2.6280 -2.6198 -2.6182 -2.2030 -2.2024 -2.1949 -2.1942 -2.1938 -2.1871 -2.1675 -2.1602 -2.1359 -2.1321 -2.1287 -2.1279 4.0095 4.0719 4.9440 5.0150 5.6728 5.7025 5.8423 5.8692 6.1933 6.2380 6.4213 6.4604 6.6575 6.6611 7.1014 7.1904 7.2808 7.5169 7.5935 7.7313 7.8527 7.8662 7.9123 8.0338 8.6804 8.7518 9.6165 9.6444 10.0529 10.1190 10.3785 10.7009 10.9625 11.0482 11.1915 11.2666 12.2912 12.3381 13.3912 13.4707 13.5865 13.6265 13.9440 13.9974 14.3473 14.3676 14.7322 14.7683 k = 0.4467 0.3811-0.0000 ( 4412 PWs) bands (ev): -2.6406 -2.6385 -2.6348 -2.6337 -2.6304 -2.6277 -2.6199 -2.6181 -2.2030 -2.2023 -2.1956 -2.1943 -2.1939 -2.1867 -2.1679 -2.1596 -2.1362 -2.1319 -2.1287 -2.1278 4.0102 4.0813 4.9568 5.0391 5.6831 5.7158 5.8468 5.8758 6.1784 6.2353 6.4336 6.4557 6.6662 6.6791 7.0908 7.2006 7.2589 7.5308 7.5710 7.7332 7.8547 7.8619 7.9081 8.0467 8.6555 8.7250 9.5979 9.6129 9.9889 10.0720 10.4322 10.7814 10.9519 11.0537 11.1523 11.2168 12.3137 12.3575 13.3740 13.4490 13.6028 13.6350 13.9711 14.0288 14.3944 14.4139 14.7084 14.7488 k = 0.4400 0.3926-0.0000 ( 4416 PWs) bands (ev): -2.6407 -2.6383 -2.6351 -2.6342 -2.6303 -2.6275 -2.6201 -2.6180 -2.2030 -2.2021 -2.1962 -2.1944 -2.1940 -2.1864 -2.1684 -2.1592 -2.1365 -2.1317 -2.1287 -2.1277 4.0115 4.0910 4.9714 5.0655 5.6949 5.7299 5.8524 5.8827 6.1643 6.2337 6.4461 6.4489 6.6708 6.7023 7.0785 7.2112 7.2366 7.5441 7.5470 7.7354 7.8568 7.8581 7.9052 8.0602 8.6314 8.6955 9.5810 9.5837 9.9170 10.0173 10.4861 10.8600 10.9332 11.0428 11.1271 11.1863 12.3352 12.3754 13.3576 13.4298 13.6203 13.6462 13.9961 14.0581 14.4458 14.4630 14.6827 14.7272 k = 0.4333 0.4041-0.0000 ( 4420 PWs) bands (ev): -2.6407 -2.6381 -2.6355 -2.6347 -2.6301 -2.6273 -2.6202 -2.6179 -2.2030 -2.2020 -2.1970 -2.1946 -2.1940 -2.1862 -2.1688 -2.1587 -2.1368 -2.1316 -2.1287 -2.1276 4.0133 4.1011 4.9877 5.0942 5.7079 5.7444 5.8590 5.8900 6.1513 6.2330 6.4409 6.4584 6.6749 6.7261 7.0642 7.2061 7.2300 7.5219 7.5567 7.7382 7.8510 7.8621 7.9047 8.0741 8.6085 8.6641 9.5564 9.5649 9.8382 9.9557 10.5385 10.9043 10.9367 11.0088 11.1182 11.1838 12.3555 12.3918 13.3422 13.4129 13.6389 13.6597 14.0190 14.0852 14.5006 14.5140 14.6555 14.7038 k = 0.4267 0.4157-0.0000 ( 4422 PWs) bands (ev): -2.6407 -2.6379 -2.6357 -2.6351 -2.6300 -2.6271 -2.6204 -2.6178 -2.2030 -2.2018 -2.1976 -2.1948 -2.1941 -2.1860 -2.1691 -2.1583 -2.1371 -2.1314 -2.1287 -2.1275 4.0155 4.1115 5.0056 5.1249 5.7220 5.7591 5.8666 5.8975 6.1393 6.2332 6.4327 6.4704 6.6783 6.7495 7.0481 7.1808 7.2436 7.4962 7.5685 7.7416 7.8446 7.8652 7.9085 8.0885 8.5873 8.6314 9.5303 9.5481 9.7552 9.8882 10.5885 10.8728 10.9625 11.0022 11.1269 11.1996 12.3743 12.4066 13.3278 13.3979 13.6583 13.6751 14.0399 14.1100 14.5582 14.5656 14.6275 14.6787 k = 0.4200 0.4272-0.0000 ( 4414 PWs) bands (ev): -2.6406 -2.6376 -2.6360 -2.6355 -2.6299 -2.6269 -2.6205 -2.6177 -2.2030 -2.2016 -2.1982 -2.1950 -2.1940 -2.1857 -2.1694 -2.1578 -2.1373 -2.1312 -2.1287 -2.1274 4.0182 4.1221 5.0247 5.1576 5.7371 5.7736 5.8751 5.9053 6.1285 6.2336 6.4254 6.4819 6.6812 6.7721 7.0299 7.1525 7.2600 7.4704 7.5796 7.7458 7.8376 7.8657 7.9186 8.1036 8.5678 8.5982 9.5041 9.5260 9.6733 9.8166 10.6353 10.8391 10.9141 11.0505 11.1581 11.2240 12.3914 12.4200 13.3144 13.3848 13.6786 13.6923 14.0588 14.1324 14.5935 14.6181 14.6221 14.6523 k = 0.4133 0.4388-0.0000 ( 4420 PWs) bands (ev): -2.6406 -2.6375 -2.6363 -2.6359 -2.6298 -2.6267 -2.6207 -2.6176 -2.2030 -2.2015 -2.1988 -2.1952 -2.1941 -2.1855 -2.1698 -2.1574 -2.1376 -2.1311 -2.1287 -2.1273 4.0213 4.1328 5.0449 5.1920 5.7528 5.7877 5.8844 5.9133 6.1187 6.2336 6.4200 6.4929 6.6834 6.7934 7.0098 7.1224 7.2774 7.4453 7.5902 7.7505 7.8300 7.8639 7.9350 8.1195 8.5501 8.5649 9.4753 9.4857 9.6070 9.7440 10.6781 10.8061 10.8684 11.0787 11.2106 11.2528 12.4069 12.4318 13.3020 13.3734 13.6993 13.7108 14.0756 14.1523 14.5651 14.6249 14.6707 14.6797 k = 0.4067 0.4503-0.0000 ( 4412 PWs) bands (ev): -2.6406 -2.6373 -2.6365 -2.6362 -2.6297 -2.6265 -2.6209 -2.6175 -2.2030 -2.2013 -2.1994 -2.1954 -2.1941 -2.1853 -2.1700 -2.1570 -2.1378 -2.1310 -2.1286 -2.1272 4.0247 4.1434 5.0658 5.2279 5.7690 5.8011 5.8943 5.9216 6.1100 6.2321 6.4180 6.5033 6.6850 6.8131 6.9880 7.0910 7.2943 7.4223 7.6003 7.7557 7.8220 7.8607 7.9566 8.1362 8.5322 8.5343 9.4140 9.4401 9.5707 9.6751 10.7154 10.7752 10.8280 11.0976 11.2713 11.2839 12.4207 12.4424 13.2906 13.3633 13.7204 13.7304 14.0905 14.1696 14.5344 14.5969 14.7169 14.7420 k = 0.4000 0.4619-0.0000 ( 4408 PWs) bands (ev): -2.6405 -2.6373 -2.6367 -2.6364 -2.6296 -2.6263 -2.6210 -2.6174 -2.2030 -2.2010 -2.1999 -2.1956 -2.1941 -2.1852 -2.1702 -2.1566 -2.1380 -2.1309 -2.1286 -2.1271 4.0283 4.1539 5.0871 5.2649 5.7853 5.8137 5.9044 5.9300 6.1024 6.2283 6.4206 6.5132 6.6860 6.8311 6.9647 7.0588 7.3069 7.4047 7.6100 7.7613 7.8134 7.8569 7.9828 8.1539 8.5004 8.5203 9.3236 9.3931 9.5532 9.6165 10.7413 10.7469 10.7997 11.1136 11.3158 11.3322 12.4330 12.4516 13.2801 13.3546 13.7416 13.7509 14.1036 14.1843 14.5034 14.5684 14.7554 14.8031 k = 0.3933 0.4734-0.0000 ( 4406 PWs) bands (ev): -2.6404 -2.6374 -2.6370 -2.6364 -2.6296 -2.6262 -2.6212 -2.6173 -2.2029 -2.2008 -2.2004 -2.1959 -2.1942 -2.1850 -2.1705 -2.1562 -2.1382 -2.1308 -2.1286 -2.1270 4.0321 4.1642 5.1085 5.3026 5.8013 5.8255 5.9144 5.9386 6.0959 6.2215 6.4287 6.5226 6.6865 6.8470 6.9403 7.0265 7.3086 7.3987 7.6195 7.7674 7.8044 7.8528 8.0128 8.1728 8.4701 8.5080 9.2277 9.3307 9.5427 9.5729 10.7215 10.7353 10.8039 11.1287 11.3474 11.3898 12.4437 12.4597 13.2706 13.3470 13.7624 13.7719 14.1150 14.1964 14.4725 14.5400 14.7837 14.8586 k = 0.3867 0.4850-0.0000 ( 4400 PWs) bands (ev): -2.6403 -2.6377 -2.6371 -2.6363 -2.6295 -2.6260 -2.6213 -2.6172 -2.2029 -2.2009 -2.2005 -2.1961 -2.1941 -2.1850 -2.1706 -2.1559 -2.1384 -2.1307 -2.1285 -2.1268 4.0359 4.1741 5.1295 5.3405 5.8168 5.8364 5.9238 5.9472 6.0904 6.2117 6.4426 6.5315 6.6865 6.8604 6.9152 6.9952 7.2958 7.4070 7.6286 7.7740 7.7949 7.8487 8.0459 8.1931 8.4418 8.4973 9.1316 9.2556 9.5354 9.5431 10.6990 10.7115 10.8266 11.1434 11.3778 11.4428 12.4530 12.4666 13.2619 13.3404 13.7826 13.7931 14.1248 14.2060 14.4423 14.5120 14.8025 14.8996 k = 0.3800 0.4965-0.0000 ( 4399 PWs) bands (ev): -2.6403 -2.6380 -2.6373 -2.6361 -2.6295 -2.6259 -2.6215 -2.6171 -2.2029 -2.2013 -2.2003 -2.1964 -2.1941 -2.1849 -2.1708 -2.1556 -2.1386 -2.1307 -2.1285 -2.1268 4.0398 4.1835 5.1498 5.3780 5.8311 5.8464 5.9321 5.9557 6.0861 6.1998 6.4617 6.5402 6.6860 6.8699 6.8898 6.9670 7.2740 7.4236 7.6374 7.7811 7.7850 7.8446 8.0809 8.2148 8.4159 8.4880 9.0382 9.1735 9.5227 9.5299 10.6794 10.6878 10.8498 11.1574 11.4061 11.4902 12.4610 12.4725 13.2542 13.3347 13.8017 13.8142 14.1333 14.2133 14.4130 14.4847 14.8149 14.9233 k = 0.3733 0.5081-0.0000 ( 4391 PWs) bands (ev): -2.6402 -2.6382 -2.6375 -2.6360 -2.6294 -2.6258 -2.6216 -2.6170 -2.2028 -2.2017 -2.2000 -2.1966 -2.1941 -2.1848 -2.1709 -2.1553 -2.1387 -2.1306 -2.1285 -2.1266 4.0436 4.1922 5.1688 5.4143 5.8441 5.8559 5.9386 5.9639 6.0830 6.1867 6.4854 6.5488 6.6850 6.8648 6.8721 6.9461 7.2480 7.4427 7.6456 7.7748 7.7889 7.8408 8.1166 8.2381 8.3936 8.4801 8.9496 9.0895 9.5083 9.5256 10.6627 10.6671 10.8705 11.1706 11.4316 11.5315 12.4677 12.4775 13.2473 13.3299 13.8194 13.8345 14.1408 14.2185 14.3854 14.4588 14.8235 14.9371 k = 0.3667 0.5196-0.0000 ( 4387 PWs) bands (ev): -2.6401 -2.6384 -2.6376 -2.6358 -2.6294 -2.6257 -2.6217 -2.6169 -2.2028 -2.2020 -2.1997 -2.1968 -2.1941 -2.1848 -2.1710 -2.1551 -2.1388 -2.1305 -2.1284 -2.1266 4.0471 4.2002 5.1861 5.4485 5.8554 5.8648 5.9426 5.9714 6.0812 6.1740 6.5126 6.5575 6.6834 6.8409 6.8622 6.9377 7.2202 7.4616 7.6531 7.7645 7.7971 7.8372 8.1506 8.2628 8.3764 8.4734 8.8677 9.0074 9.4978 9.5222 10.6489 10.6499 10.8881 11.1827 11.4537 11.5662 12.4732 12.4816 13.2414 13.3259 13.8350 13.8537 14.1475 14.2220 14.3599 14.4347 14.8300 14.9471 k = 0.3600 0.5312-0.0000 ( 4407 PWs) bands (ev): -2.6401 -2.6387 -2.6378 -2.6358 -2.6295 -2.6257 -2.6219 -2.6170 -2.2029 -2.2024 -2.1995 -2.1972 -2.1942 -2.1848 -2.1712 -2.1550 -2.1390 -2.1305 -2.1286 -2.1266 4.0504 4.2071 5.2011 5.4793 5.8648 5.8735 5.9434 5.9777 6.0808 6.1627 6.5420 6.5664 6.6810 6.8189 6.8429 6.9395 7.1919 7.4787 7.6596 7.7546 7.8055 7.8340 8.1796 8.2885 8.3667 8.4678 8.7943 8.9306 9.4900 9.5196 10.6361 10.6378 10.9024 11.1932 11.4720 11.5942 12.4776 12.4848 13.2365 13.3226 13.8483 13.8709 14.1534 14.2240 14.3374 14.4131 14.8354 14.9555 k = 0.3533 0.5427-0.0000 ( 4403 PWs) bands (ev): -2.6401 -2.6389 -2.6379 -2.6357 -2.6295 -2.6256 -2.6220 -2.6169 -2.2029 -2.2026 -2.1992 -2.1974 -2.1942 -2.1848 -2.1713 -2.1548 -2.1391 -2.1305 -2.1285 -2.1266 4.0532 4.2129 5.2134 5.5055 5.8721 5.8821 5.9409 5.9826 6.0817 6.1541 6.5723 6.5755 6.6774 6.8000 6.8208 6.9449 7.1649 7.4931 7.6651 7.7456 7.8136 7.8312 8.1993 8.3140 8.3672 8.4632 8.7317 8.8625 9.4845 9.5176 10.6258 10.6295 10.9133 11.2019 11.4863 11.6154 12.4810 12.4873 13.2326 13.3200 13.8587 13.8855 14.1586 14.2249 14.3186 14.3949 14.8401 14.9630 k = 0.3467 0.5543-0.0000 ( 4403 PWs) bands (ev): -2.6400 -2.6390 -2.6380 -2.6356 -2.6295 -2.6255 -2.6221 -2.6169 -2.2029 -2.2027 -2.1990 -2.1977 -2.1942 -2.1848 -2.1713 -2.1548 -2.1391 -2.1305 -2.1285 -2.1265 4.0555 4.2173 5.2226 5.5256 5.8774 5.8908 5.9353 5.9858 6.0832 6.1486 6.5844 6.6011 6.6724 6.7857 6.7996 6.9501 7.1419 7.5038 7.6693 7.7382 7.8206 7.8291 8.2084 8.3371 8.3766 8.4596 8.6825 8.8076 9.4807 9.5163 10.6187 10.6238 10.9210 11.2084 11.4965 11.6302 12.4835 12.4891 13.2297 13.3181 13.8662 13.8966 14.1628 14.2251 14.3045 14.3810 14.8440 14.9696 k = 0.3400 0.5658-0.0000 ( 4401 PWs) bands (ev): -2.6400 -2.6390 -2.6380 -2.6355 -2.6295 -2.6255 -2.6222 -2.6170 -2.2028 -2.2028 -2.1988 -2.1980 -2.1943 -2.1847 -2.1713 -2.1547 -2.1391 -2.1305 -2.1285 -2.1265 4.0569 4.2201 5.2283 5.5383 5.8806 5.8993 5.9279 5.9875 6.0848 6.1459 6.5918 6.6243 6.6669 6.7771 6.7825 6.9531 7.1261 7.5104 7.6720 7.7333 7.8254 7.8278 8.2104 8.3540 8.3881 8.4571 8.6506 8.7711 9.4785 9.5155 10.6147 10.6205 10.9255 11.2124 11.5024 11.6386 12.4849 12.4902 13.2279 13.3170 13.8706 13.9035 14.1654 14.2249 14.2958 14.3722 14.8469 14.9744 k = 0.3333 0.5774-0.0000 ( 4401 PWs) bands (ev): -2.6400 -2.6390 -2.6380 -2.6355 -2.6295 -2.6255 -2.6222 -2.6170 -2.2028 -2.2028 -2.1986 -2.1981 -2.1943 -2.1847 -2.1713 -2.1547 -2.1392 -2.1305 -2.1285 -2.1265 4.0575 4.2211 5.2303 5.5427 5.8817 5.9042 5.9232 5.9880 6.0855 6.1452 6.5951 6.6342 6.6641 6.7743 6.7752 6.9538 7.1205 7.5125 7.6730 7.7315 7.8266 7.8279 8.2101 8.3602 8.3931 8.4562 8.6396 8.7583 9.4778 9.5152 10.6134 10.6195 10.9269 11.2137 11.5044 11.6413 12.4854 12.4905 13.2273 13.3166 13.8720 13.9058 14.1663 14.2248 14.2928 14.3692 14.8481 14.9765 k = 0.3333 0.5774-0.0000 ( 4401 PWs) bands (ev): -2.6400 -2.6390 -2.6380 -2.6355 -2.6295 -2.6255 -2.6222 -2.6170 -2.2028 -2.2028 -2.1986 -2.1981 -2.1943 -2.1847 -2.1713 -2.1547 -2.1392 -2.1305 -2.1285 -2.1265 4.0575 4.2211 5.2303 5.5427 5.8817 5.9042 5.9232 5.9880 6.0855 6.1452 6.5951 6.6342 6.6641 6.7743 6.7752 6.9538 7.1205 7.5125 7.6730 7.7315 7.8266 7.8279 8.2101 8.3602 8.3931 8.4562 8.6396 8.7583 9.4778 9.5152 10.6134 10.6195 10.9269 11.2137 11.5044 11.6413 12.4854 12.4905 13.2273 13.3166 13.8720 13.9058 14.1663 14.2248 14.2928 14.3692 14.8481 14.9765 k = 0.3265 0.5656-0.0000 ( 4397 PWs) bands (ev): -2.6400 -2.6390 -2.6380 -2.6355 -2.6295 -2.6255 -2.6221 -2.6169 -2.2028 -2.2027 -2.1987 -2.1980 -2.1942 -2.1847 -2.1713 -2.1547 -2.1391 -2.1305 -2.1285 -2.1265 4.0568 4.2200 5.2282 5.5382 5.8805 5.8987 5.9287 5.9876 6.0846 6.1455 6.5912 6.6225 6.6680 6.7769 6.7836 6.9542 7.1261 7.5104 7.6718 7.7334 7.8251 7.8279 8.2112 8.3543 8.3881 8.4570 8.6504 8.7709 9.4785 9.5155 10.6146 10.6204 10.9255 11.2123 11.5025 11.6387 12.4849 12.4901 13.2280 13.3170 13.8707 13.9035 14.1655 14.2251 14.2958 14.3722 14.8464 14.9735 k = 0.3197 0.5538-0.0000 ( 4399 PWs) bands (ev): -2.6400 -2.6389 -2.6379 -2.6356 -2.6294 -2.6255 -2.6221 -2.6169 -2.2028 -2.2027 -2.1990 -2.1977 -2.1942 -2.1848 -2.1713 -2.1547 -2.1391 -2.1305 -2.1285 -2.1265 4.0548 4.2164 5.2221 5.5250 5.8770 5.8885 5.9389 5.9865 6.0814 6.1458 6.5811 6.5908 6.6785 6.7843 6.8048 6.9576 7.1418 7.5045 7.6676 7.7392 7.8191 7.8297 8.2152 8.3397 8.3771 8.4590 8.6793 8.8047 9.4807 9.5164 10.6177 10.6229 10.9218 11.2082 11.4969 11.6315 12.4832 12.4889 13.2300 13.3184 13.8668 13.8969 14.1635 14.2263 14.3041 14.3807 14.8404 14.9627 k = 0.3129 0.5420-0.0000 ( 4401 PWs) bands (ev): -2.6401 -2.6388 -2.6379 -2.6357 -2.6294 -2.6256 -2.6220 -2.6170 -2.2028 -2.2026 -2.1992 -2.1975 -2.1942 -2.1848 -2.1713 -2.1548 -2.1391 -2.1305 -2.1285 -2.1266 4.0509 4.2099 5.2120 5.5042 5.8708 5.8771 5.9497 5.9850 6.0760 6.1452 6.5463 6.5681 6.6931 6.7956 6.8317 6.9666 7.1654 7.4957 7.6596 7.7486 7.8098 7.8331 8.2213 8.3216 8.3675 8.4619 8.7208 8.8529 9.4844 9.5179 10.6220 10.6262 10.9165 11.2018 11.4883 11.6206 12.4802 12.4866 13.2336 13.3209 13.8610 13.8871 14.1613 14.2289 14.3169 14.3937 14.8284 14.9412 k = 0.3061 0.5302-0.0000 ( 4401 PWs) bands (ev): -2.6401 -2.6386 -2.6378 -2.6358 -2.6294 -2.6256 -2.6220 -2.6170 -2.2028 -2.2023 -2.1994 -2.1973 -2.1942 -2.1847 -2.1712 -2.1550 -2.1390 -2.1305 -2.1285 -2.1266 4.0451 4.2004 5.1981 5.4773 5.8618 5.8648 5.9599 5.9832 6.0685 6.1431 6.4946 6.5546 6.7094 6.8103 6.8597 6.9823 7.1951 7.4847 7.6469 7.7613 7.7989 7.8382 8.2270 8.3034 8.3660 8.4655 8.7705 8.9103 9.4897 9.5201 10.6262 10.6295 10.9107 11.1938 11.4772 11.6067 12.4758 12.4833 13.2388 13.3247 13.8535 13.8748 14.1599 14.2332 14.3331 14.4100 14.8092 14.9082 k = 0.2993 0.5184-0.0000 ( 4409 PWs) bands (ev): -2.6401 -2.6384 -2.6378 -2.6359 -2.6295 -2.6256 -2.6219 -2.6171 -2.2028 -2.2020 -2.1997 -2.1971 -2.1943 -2.1846 -2.1712 -2.1552 -2.1389 -2.1305 -2.1286 -2.1267 4.0369 4.1873 5.1809 5.4454 5.8499 5.8512 5.9690 5.9811 6.0596 6.1393 6.4396 6.5419 6.7261 6.8278 6.8860 7.0050 7.2295 7.4725 7.6290 7.7768 7.7883 7.8449 8.2299 8.2868 8.3772 8.4702 8.8259 8.9734 9.4967 9.5232 10.6289 10.6316 10.9057 11.1853 11.4644 11.5907 12.4697 12.4786 13.2457 13.3300 13.8449 13.8612 14.1601 14.2394 14.3518 14.4285 14.7825 14.8655 k = 0.2925 0.5067-0.0000 ( 4413 PWs) bands (ev): -2.6402 -2.6381 -2.6377 -2.6361 -2.6295 -2.6256 -2.6218 -2.6172 -2.2029 -2.2017 -2.2000 -2.1969 -2.1943 -2.1846 -2.1711 -2.1555 -2.1388 -2.1306 -2.1287 -2.1268 4.0260 4.1704 5.1606 5.4100 5.8352 5.8359 5.9767 5.9786 6.0500 6.1338 6.3842 6.5302 6.7423 6.8476 6.9087 7.0342 7.2675 7.4596 7.6060 7.7789 7.7949 7.8532 8.2304 8.2731 8.4012 8.4760 8.8852 9.0400 9.5057 9.5271 10.6282 10.6309 10.9033 11.1778 11.4508 11.5737 12.4617 12.4724 13.2546 13.3370 13.8356 13.8471 14.1626 14.2477 14.3721 14.4483 14.7496 14.8168 k = 0.2857 0.4949-0.0000 ( 4415 PWs) bands (ev): -2.6403 -2.6378 -2.6375 -2.6363 -2.6294 -2.6256 -2.6216 -2.6172 -2.2029 -2.2012 -2.2002 -2.1967 -2.1942 -2.1845 -2.1710 -2.1557 -2.1387 -2.1306 -2.1287 -2.1269 4.0120 4.1494 5.1378 5.3720 5.8178 5.8184 5.9759 5.9829 6.0403 6.1266 6.3309 6.5197 6.7575 6.8687 6.9276 7.0682 7.3078 7.4469 7.5788 7.7712 7.8147 7.8629 8.2310 8.2632 8.4357 8.4834 8.9474 9.1085 9.5171 9.5322 10.6221 10.6258 10.9051 11.1732 11.4374 11.5563 12.4517 12.4645 13.2655 13.3461 13.8259 13.8330 14.1677 14.2583 14.3933 14.4685 14.7128 14.7659 k = 0.2789 0.4831-0.0000 ( 4421 PWs) bands (ev): -2.6404 -2.6375 -2.6374 -2.6365 -2.6294 -2.6256 -2.6215 -2.6173 -2.2029 -2.2008 -2.2004 -2.1965 -2.1942 -2.1844 -2.1709 -2.1560 -2.1385 -2.1306 -2.1287 -2.1270 3.9945 4.1240 5.1129 5.3323 5.7982 5.7986 5.9728 5.9875 6.0312 6.1181 6.2814 6.5102 6.7714 6.8902 6.9430 7.1042 7.3485 7.4362 7.5487 7.7648 7.8355 7.8736 8.2339 8.2580 8.4780 8.4928 9.0115 9.1775 9.5315 9.5385 10.6091 10.6145 10.9122 11.1733 11.4256 11.5394 12.4395 12.4548 13.2788 13.3576 13.8163 13.8195 14.1757 14.2709 14.4147 14.4885 14.6746 14.7159 k = 0.2721 0.4713-0.0000 ( 4421 PWs) bands (ev): -2.6405 -2.6373 -2.6372 -2.6365 -2.6294 -2.6255 -2.6213 -2.6174 -2.2029 -2.2005 -2.2002 -2.1964 -2.1942 -2.1843 -2.1708 -2.1563 -2.1383 -2.1306 -2.1288 -2.1271 3.9733 4.0940 5.0863 5.2915 5.7755 5.7781 5.9694 5.9905 6.0227 6.1084 6.2371 6.5015 6.7838 6.9113 6.9556 7.1395 7.3815 7.4349 7.5166 7.7594 7.8564 7.8849 8.2409 8.2584 8.5045 8.5264 9.0768 9.2454 9.5465 9.5497 10.5887 10.5958 10.9248 11.1797 11.4165 11.5238 12.4249 12.4432 13.2944 13.3718 13.8069 13.8071 14.1865 14.2852 14.4360 14.5072 14.6377 14.6698 k = 0.2653 0.4595-0.0000 ( 4421 PWs) bands (ev): -2.6405 -2.6373 -2.6371 -2.6362 -2.6294 -2.6254 -2.6212 -2.6175 -2.2029 -2.2007 -2.1996 -2.1963 -2.1942 -2.1841 -2.1707 -2.1567 -2.1381 -2.1306 -2.1289 -2.1273 3.9481 4.0592 5.0583 5.2502 5.7506 5.7574 5.9658 5.9922 6.0151 6.0977 6.1986 6.4934 6.7945 6.9311 6.9660 7.1717 7.3891 7.4601 7.4836 7.7548 7.8766 7.8963 8.2528 8.2654 8.5195 8.5795 9.1425 9.3107 9.5565 9.5731 10.5615 10.5691 10.9419 11.1934 11.4116 11.5101 12.4080 12.4295 13.3127 13.3891 13.7960 13.7981 14.1996 14.3002 14.4568 14.5227 14.6046 14.6307 k = 0.2585 0.4477-0.0000 ( 4417 PWs) bands (ev): -2.6406 -2.6375 -2.6370 -2.6357 -2.6294 -2.6253 -2.6210 -2.6175 -2.2029 -2.2008 -2.1990 -2.1961 -2.1941 -2.1839 -2.1705 -2.1571 -2.1379 -2.1305 -2.1290 -2.1274 3.9185 4.0198 5.0294 5.2086 5.7243 5.7373 5.9619 5.9927 6.0082 6.0862 6.1662 6.4854 6.8034 6.9491 6.9745 7.1990 7.3829 7.4503 7.4990 7.7506 7.8957 7.9076 8.2701 8.2793 8.5386 8.6364 9.2078 9.3714 9.5692 9.6032 10.5286 10.5348 10.9624 11.2144 11.4119 11.4990 12.3888 12.4139 13.3338 13.4096 13.7866 13.7901 14.2145 14.3141 14.4766 14.5299 14.5785 14.6049 k = 0.2517 0.4360-0.0000 ( 4417 PWs) bands (ev): -2.6407 -2.6377 -2.6368 -2.6351 -2.6293 -2.6252 -2.6208 -2.6176 -2.2029 -2.2009 -2.1983 -2.1960 -2.1940 -2.1837 -2.1704 -2.1574 -2.1377 -2.1306 -2.1291 -2.1276 3.8845 3.9758 5.0000 5.1672 5.6976 5.7186 5.9578 5.9922 6.0020 6.0738 6.1394 6.4774 6.8102 6.9649 6.9813 7.2197 7.3761 7.4172 7.5372 7.7467 7.9144 7.9184 8.2927 8.3000 8.5627 8.6958 9.2714 9.4259 9.5856 9.6412 10.4914 10.4939 10.9851 11.2423 11.4184 11.4911 12.3675 12.3963 13.3577 13.4337 13.7791 13.7832 14.2300 14.3242 14.4953 14.5231 14.5629 14.5995 k = 0.2449 0.4242-0.0000 ( 4417 PWs) bands (ev): -2.6408 -2.6380 -2.6366 -2.6344 -2.6293 -2.6251 -2.6206 -2.6177 -2.2029 -2.2011 -2.1977 -2.1959 -2.1939 -2.1834 -2.1702 -2.1578 -2.1374 -2.1306 -2.1292 -2.1278 3.8460 3.9274 4.9702 5.1262 5.6717 5.7017 5.9536 5.9908 5.9964 6.0608 6.1176 6.4690 6.8149 6.9781 6.9865 7.2323 7.3723 7.3847 7.5694 7.7429 7.9286 7.9338 8.3205 8.3265 8.5928 8.7569 9.3319 9.4737 9.6068 9.6872 10.4482 10.4520 11.0091 11.2759 11.4316 11.4870 12.3445 12.3770 13.3844 13.4614 13.7736 13.7776 14.2441 14.3276 14.5108 14.5127 14.5613 14.6081 k = 0.2381 0.4124-0.0000 ( 4417 PWs) bands (ev): -2.6409 -2.6383 -2.6363 -2.6337 -2.6292 -2.6249 -2.6204 -2.6179 -2.2029 -2.2012 -2.1970 -2.1958 -2.1937 -2.1831 -2.1701 -2.1583 -2.1372 -2.1306 -2.1293 -2.1280 3.8031 3.8748 4.9403 5.0858 5.6477 5.6871 5.9493 5.9888 5.9911 6.0473 6.0997 6.4602 6.8173 6.9887 6.9902 7.2363 7.3529 7.3727 7.5928 7.7393 7.9383 7.9550 8.3526 8.3578 8.6296 8.8183 9.3873 9.5163 9.6346 9.7389 10.3994 10.4127 11.0339 11.3140 11.4515 11.4874 12.3200 12.3563 13.4140 13.4928 13.7704 13.7735 14.2549 14.3235 14.5044 14.5287 14.5749 14.6211 k = 0.2313 0.4006-0.0000 ( 4427 PWs) bands (ev): -2.6410 -2.6387 -2.6362 -2.6330 -2.6292 -2.6248 -2.6203 -2.6180 -2.2029 -2.2013 -2.1965 -2.1958 -2.1935 -2.1829 -2.1700 -2.1587 -2.1370 -2.1306 -2.1295 -2.1282 3.7560 3.8186 4.9106 5.0462 5.6263 5.6750 5.9451 5.9862 5.9862 6.0336 6.0850 6.4507 6.8175 6.9924 6.9966 7.2329 7.3223 7.3765 7.6065 7.7357 7.9475 7.9782 8.3884 8.3927 8.6729 8.8787 9.4358 9.5559 9.6705 9.7928 10.3500 10.3768 11.0596 11.3547 11.4773 11.4933 12.2948 12.3344 13.4461 13.5277 13.7696 13.7711 14.2609 14.3141 14.5089 14.5430 14.6019 14.6354 k = 0.2245 0.3888-0.0000 ( 4419 PWs) bands (ev): -2.6411 -2.6389 -2.6359 -2.6322 -2.6292 -2.6245 -2.6201 -2.6181 -2.2028 -2.2013 -2.1960 -2.1957 -2.1930 -2.1825 -2.1698 -2.1591 -2.1367 -2.1305 -2.1296 -2.1284 3.7050 3.7591 4.8812 5.0075 5.6083 5.6654 5.9410 5.9815 5.9832 6.0200 6.0724 6.4403 6.8156 6.9932 7.0020 7.2240 7.2928 7.3817 7.6113 7.7322 7.9564 8.0021 8.4267 8.4303 8.7222 8.9366 9.4765 9.5940 9.7150 9.8452 10.3024 10.3486 11.0864 11.3959 11.5062 11.5081 12.2694 12.3118 13.4804 13.5657 13.7706 13.7714 14.2627 14.3029 14.5244 14.5556 14.6397 14.6505 k = 0.2177 0.3770-0.0000 ( 4419 PWs) bands (ev): -2.6412 -2.6393 -2.6356 -2.6314 -2.6291 -2.6243 -2.6199 -2.6183 -2.2028 -2.2014 -2.1957 -2.1956 -2.1924 -2.1822 -2.1696 -2.1595 -2.1365 -2.1306 -2.1298 -2.1286 3.6504 3.6969 4.8524 4.9698 5.5938 5.6582 5.9369 5.9770 5.9796 6.0070 6.0615 6.4289 6.8116 6.9926 7.0052 7.2118 7.2646 7.3860 7.6094 7.7288 7.9652 8.0251 8.4663 8.4697 8.7761 8.9907 9.5100 9.6299 9.7666 9.8937 10.2598 10.3334 11.1150 11.4345 11.5282 11.5422 12.2449 12.2892 13.5163 13.6058 13.7723 13.7758 14.2629 14.2928 14.5480 14.5664 14.6673 14.6857 k = 0.2109 0.3653-0.0000 ( 4411 PWs) bands (ev): -2.6413 -2.6395 -2.6353 -2.6306 -2.6290 -2.6240 -2.6197 -2.6184 -2.2027 -2.2014 -2.1955 -2.1954 -2.1916 -2.1818 -2.1694 -2.1599 -2.1362 -2.1306 -2.1299 -2.1288 3.5929 3.6324 4.8242 4.9332 5.5831 5.6533 5.9330 5.9726 5.9748 5.9952 6.0518 6.4164 6.8059 6.9908 7.0063 7.1974 7.2376 7.3875 7.6036 7.7254 7.9741 8.0457 8.5058 8.5095 8.8327 9.0398 9.5376 9.6602 9.8231 9.9391 10.2258 10.3356 11.1458 11.4683 11.5606 11.5781 12.2224 12.2673 13.5530 13.6467 13.7766 13.7830 14.2647 14.2863 14.5749 14.5753 14.6883 14.7383 k = 0.2041 0.3535-0.0000 ( 4399 PWs) bands (ev): -2.6414 -2.6398 -2.6350 -2.6297 -2.6289 -2.6237 -2.6195 -2.6185 -2.2026 -2.2014 -2.1955 -2.1953 -2.1907 -2.1814 -2.1691 -2.1603 -2.1360 -2.1306 -2.1300 -2.1289 3.5328 3.5662 4.7967 4.8978 5.5760 5.6505 5.9291 5.9671 5.9685 5.9866 6.0430 6.4027 6.7988 6.9876 7.0056 7.1820 7.2118 7.3845 7.5967 7.7222 7.9829 8.0631 8.5435 8.5480 8.8901 9.0833 9.5601 9.6797 9.8825 9.9872 10.2044 10.3565 11.1794 11.4984 11.6011 11.6135 12.2033 12.2471 13.5895 13.6861 13.7840 13.7927 14.2719 14.2856 14.5825 14.5992 14.7176 14.7967 k = 0.1973 0.3417-0.0000 ( 4399 PWs) bands (ev): -2.6415 -2.6401 -2.6348 -2.6292 -2.6285 -2.6234 -2.6193 -2.6187 -2.2026 -2.2015 -2.1954 -2.1952 -2.1898 -2.1809 -2.1690 -2.1608 -2.1358 -2.1308 -2.1300 -2.1291 3.4706 3.4988 4.7701 4.8636 5.5723 5.6496 5.9252 5.9558 5.9644 5.9819 6.0350 6.3877 6.7908 6.9833 7.0035 7.1659 7.1870 7.3758 7.5909 7.7191 7.9920 8.0771 8.5776 8.5829 8.9461 9.1209 9.5778 9.6850 9.9437 10.0458 10.1994 10.3930 11.2162 11.5278 11.6450 11.6464 12.1895 12.2299 13.6246 13.7212 13.7953 13.8044 14.2878 14.2929 14.5878 14.6167 14.7577 14.8601 k = 0.1905 0.3299-0.0000 ( 4401 PWs) bands (ev): -2.6416 -2.6404 -2.6345 -2.6291 -2.6277 -2.6231 -2.6191 -2.6188 -2.2025 -2.2015 -2.1954 -2.1951 -2.1889 -2.1806 -2.1688 -2.1612 -2.1356 -2.1310 -2.1301 -2.1293 3.4070 3.4306 4.7444 4.8307 5.5718 5.6502 5.9211 5.9424 5.9606 5.9796 6.0275 6.3715 6.7823 6.9778 7.0001 7.1497 7.1630 7.3609 7.5877 7.7161 8.0011 8.0881 8.6061 8.6115 8.9991 9.1532 9.5913 9.6784 10.0075 10.1186 10.2122 10.4401 11.2565 11.5589 11.6743 11.6884 12.1833 12.2176 13.6575 13.7493 13.8104 13.8172 14.3103 14.3156 14.5914 14.6275 14.8079 14.9279 k = 0.1837 0.3181-0.0000 ( 4395 PWs) bands (ev): -2.6417 -2.6407 -2.6341 -2.6290 -2.6268 -2.6228 -2.6190 -2.6189 -2.2025 -2.2015 -2.1953 -2.1951 -2.1878 -2.1801 -2.1686 -2.1616 -2.1354 -2.1312 -2.1300 -2.1295 3.3424 3.3620 4.7196 4.7991 5.5742 5.6523 5.9167 5.9281 5.9570 5.9787 6.0206 6.3542 6.7740 6.9712 6.9959 7.1336 7.1398 7.3401 7.5876 7.7133 8.0104 8.0964 8.6267 8.6312 9.0478 9.1808 9.6021 9.6662 10.0767 10.2049 10.2412 10.4933 11.3004 11.5926 11.6952 11.7277 12.1866 12.2126 13.6876 13.7710 13.8271 13.8298 14.3396 14.3578 14.5935 14.6337 14.8655 15.0000 k = 0.1769 0.3063-0.0000 ( 4389 PWs) bands (ev): -2.6419 -2.6410 -2.6338 -2.6289 -2.6259 -2.6225 -2.6191 -2.6187 -2.2024 -2.2015 -2.1953 -2.1950 -2.1868 -2.1797 -2.1683 -2.1619 -2.1352 -2.1314 -2.1300 -2.1296 3.2773 3.2936 4.6959 4.7688 5.5791 5.6555 5.9119 5.9132 5.9536 5.9788 6.0142 6.3358 6.7662 6.9637 6.9908 7.1171 7.1178 7.3143 7.5901 7.7106 8.0199 8.1027 8.6372 8.6398 9.0915 9.2043 9.6130 9.6550 10.1542 10.2820 10.3020 10.5490 11.3480 11.6292 11.7077 11.7600 12.2010 12.2173 13.7151 13.7889 13.8410 13.8414 14.3821 14.4148 14.5943 14.6371 14.9282 15.0758 k = 0.1701 0.2946-0.0000 ( 4397 PWs) bands (ev): -2.6420 -2.6412 -2.6335 -2.6290 -2.6250 -2.6223 -2.6194 -2.6185 -2.2023 -2.2015 -2.1952 -2.1951 -2.1858 -2.1793 -2.1682 -2.1623 -2.1351 -2.1318 -2.1300 -2.1298 3.2121 3.2256 4.6733 4.7400 5.5861 5.6596 5.8980 5.9063 5.9505 5.9798 6.0083 6.3168 6.7594 6.9553 6.9851 7.0948 7.1025 7.2846 7.5947 7.7082 8.0294 8.1072 8.6358 8.6359 9.1299 9.2245 9.6276 9.6500 10.2419 10.3300 10.4078 10.6049 11.3992 11.6683 11.7120 11.7834 12.2267 12.2342 13.7400 13.8053 13.8503 13.8516 14.4373 14.4850 14.5946 14.6402 14.9940 15.1549 k = 0.1633 0.2828-0.0000 ( 4405 PWs) bands (ev): -2.6421 -2.6415 -2.6333 -2.6290 -2.6241 -2.6221 -2.6196 -2.6183 -2.2023 -2.2015 -2.1952 -2.1951 -2.1848 -2.1789 -2.1681 -2.1627 -2.1351 -2.1321 -2.1300 -2.1300 3.1473 3.1584 4.6517 4.7124 5.5949 5.6644 5.8823 5.8999 5.9477 5.9813 6.0032 6.2974 6.7539 6.9463 6.9790 7.0730 7.0878 7.2523 7.6008 7.7060 8.0389 8.1105 8.6188 8.6219 9.1631 9.2416 9.6486 9.6543 10.3401 10.3813 10.5199 10.6593 11.4536 11.7084 11.7098 11.7986 12.2628 12.2639 13.7620 13.8204 13.8584 13.8588 14.5022 14.5597 14.5969 14.6507 15.0598 15.2368 k = 0.1565 0.2710-0.0000 ( 4395 PWs) bands (ev): -2.6422 -2.6417 -2.6329 -2.6289 -2.6231 -2.6218 -2.6198 -2.6180 -2.2021 -2.2015 -2.1952 -2.1951 -2.1838 -2.1784 -2.1678 -2.1630 -2.1351 -2.1324 -2.1301 -2.1300 3.0832 3.0922 4.6313 4.6863 5.6051 5.6698 5.8665 5.8925 5.9451 5.9823 5.9999 6.2781 6.7498 6.9367 6.9725 7.0516 7.0737 7.2182 7.6077 7.7040 8.0484 8.1126 8.5898 8.5955 9.1913 9.2560 9.6696 9.6774 10.4330 10.4482 10.6362 10.7118 11.5102 11.7042 11.7439 11.8122 12.3057 12.3078 13.7803 13.8321 13.8666 13.8673 14.5573 14.6028 14.6197 14.7036 15.1196 15.2801 k = 0.1497 0.2592-0.0000 ( 4395 PWs) bands (ev): -2.6424 -2.6420 -2.6325 -2.6288 -2.6223 -2.6217 -2.6199 -2.6177 -2.2021 -2.2015 -2.1952 -2.1951 -2.1828 -2.1779 -2.1675 -2.1632 -2.1351 -2.1328 -2.1301 -2.1300 3.0201 3.0275 4.6120 4.6616 5.6164 5.6755 5.8505 5.8839 5.9426 5.9811 6.0001 6.2592 6.7474 6.9268 6.9654 7.0307 7.0603 7.1831 7.6151 7.7023 8.0578 8.1139 8.5504 8.5578 9.2150 9.2680 9.6957 9.7143 10.4841 10.5639 10.7430 10.7736 11.5657 11.7003 11.7606 11.8404 12.3573 12.3600 13.7931 13.8367 13.8797 13.8798 14.5691 14.6095 14.6952 14.8024 15.1629 15.3138 k = 0.1429 0.2474-0.0000 ( 4393 PWs) bands (ev): -2.6425 -2.6422 -2.6322 -2.6288 -2.6215 -2.6213 -2.6201 -2.6173 -2.2020 -2.2014 -2.1951 -2.1951 -2.1817 -2.1774 -2.1673 -2.1635 -2.1352 -2.1331 -2.1302 -2.1300 2.9584 2.9644 4.5937 4.6382 5.6284 5.6813 5.8344 5.8742 5.9402 5.9775 6.0039 6.2413 6.7467 6.9168 6.9576 7.0109 7.0475 7.1476 7.6228 7.7008 8.0669 8.1143 8.5028 8.5106 9.2347 9.2779 9.7316 9.7584 10.5329 10.6865 10.7952 10.8877 11.6084 11.7114 11.7578 11.8861 12.4166 12.4181 13.7996 13.8353 13.8973 13.8984 14.5671 14.6078 14.7927 14.9179 15.1865 15.3718 k = 0.1361 0.2357-0.0000 ( 4389 PWs) bands (ev): -2.6426 -2.6424 -2.6319 -2.6287 -2.6214 -2.6207 -2.6201 -2.6170 -2.2019 -2.2014 -2.1951 -2.1950 -2.1808 -2.1769 -2.1671 -2.1637 -2.1352 -2.1334 -2.1302 -2.1299 2.8982 2.9031 4.5766 4.6162 5.6409 5.6872 5.8184 5.8632 5.9379 5.9727 6.0101 6.2247 6.7477 6.9069 6.9484 6.9929 7.0352 7.1124 7.6304 7.6996 8.0757 8.1136 8.4492 8.4561 9.2510 9.2860 9.7757 9.8087 10.5786 10.8145 10.8330 11.0124 11.6222 11.7465 11.7552 11.9399 12.4811 12.4818 13.8009 13.8308 13.9197 13.9201 14.5623 14.6040 14.9001 15.0429 15.1998 15.4439 k = 0.1293 0.2239-0.0000 ( 4393 PWs) bands (ev): -2.6428 -2.6426 -2.6315 -2.6287 -2.6214 -2.6206 -2.6195 -2.6166 -2.2019 -2.2014 -2.1951 -2.1950 -2.1799 -2.1765 -2.1669 -2.1639 -2.1354 -2.1338 -2.1302 -2.1300 2.8399 2.8439 4.5606 4.5956 5.6536 5.6928 5.8025 5.8512 5.9355 5.9674 6.0179 6.2098 6.7504 6.8973 6.9366 6.9779 7.0231 7.0783 7.6379 7.6986 8.0841 8.1114 8.3920 8.3960 9.2646 9.2928 9.8264 9.8639 10.6207 10.8640 10.9465 11.1385 11.6182 11.7315 11.8209 11.9982 12.5483 12.5516 13.7988 13.8248 13.9436 13.9456 14.5563 14.5994 15.0145 15.1743 15.2113 15.4735 k = 0.1224 0.2121-0.0000 ( 4385 PWs) bands (ev): -2.6429 -2.6427 -2.6311 -2.6286 -2.6213 -2.6207 -2.6187 -2.6162 -2.2018 -2.2014 -2.1950 -2.1949 -2.1790 -2.1760 -2.1666 -2.1641 -2.1355 -2.1341 -2.1302 -2.1299 2.7837 2.7868 4.5456 4.5763 5.6660 5.6979 5.7870 5.8384 5.9331 5.9620 6.0270 6.1969 6.7546 6.8882 6.9218 6.9667 7.0097 7.0470 7.6452 7.6979 8.0916 8.1066 8.3323 8.3339 9.2758 9.2985 9.8821 9.9230 10.6587 10.8888 11.0813 11.2646 11.6098 11.7150 11.8960 12.0596 12.6191 12.6249 13.7948 13.8179 13.9683 13.9738 14.5497 14.5947 15.1333 15.2207 15.3150 15.4848 k = 0.1156 0.2003-0.0000 ( 4383 PWs) bands (ev): -2.6430 -2.6429 -2.6307 -2.6285 -2.6213 -2.6209 -2.6180 -2.6158 -2.2017 -2.2014 -2.1949 -2.1949 -2.1781 -2.1756 -2.1664 -2.1642 -2.1356 -2.1344 -2.1302 -2.1300 2.7297 2.7322 4.5317 4.5583 5.6777 5.7022 5.7721 5.8252 5.9306 5.9564 6.0373 6.1861 6.7603 6.8797 6.9044 6.9589 6.9912 7.0228 7.6521 7.6974 8.0968 8.0977 8.2669 8.2785 9.2853 9.3034 9.9418 9.9849 10.6925 10.9074 11.2178 11.3892 11.6013 11.6979 11.9763 12.1234 12.6929 12.7011 13.7898 13.8108 13.9938 14.0036 14.5428 14.5899 15.2350 15.2531 15.4585 15.5035 k = 0.1088 0.1885-0.0000 ( 4389 PWs) bands (ev): -2.6432 -2.6431 -2.6304 -2.6284 -2.6214 -2.6210 -2.6173 -2.6155 -2.2017 -2.2014 -2.1949 -2.1949 -2.1773 -2.1752 -2.1662 -2.1644 -2.1358 -2.1348 -2.1302 -2.1300 2.6780 2.6800 4.5187 4.5416 5.6879 5.7050 5.7585 5.8123 5.9280 5.9509 6.0485 6.1774 6.7673 6.8718 6.8858 6.9535 6.9654 7.0082 7.6587 7.6971 8.0772 8.0997 8.2036 8.2318 9.2932 9.3076 10.0043 10.0488 10.7219 10.9202 11.3547 11.5093 11.5962 11.6809 12.0602 12.1892 12.7693 12.7795 13.7842 13.8035 14.0198 14.0343 14.5357 14.5852 15.2528 15.3643 15.5373 15.6062 k = 0.1020 0.1767-0.0000 ( 4389 PWs) bands (ev): -2.6433 -2.6433 -2.6301 -2.6284 -2.6214 -2.6212 -2.6165 -2.6150 -2.2016 -2.2014 -2.1948 -2.1948 -2.1765 -2.1747 -2.1660 -2.1645 -2.1360 -2.1352 -2.1302 -2.1300 2.6290 2.6305 4.5068 4.5262 5.6952 5.7056 5.7477 5.8006 5.9254 5.9454 6.0604 6.1710 6.7755 6.8645 6.8668 6.9374 6.9497 6.9987 7.6648 7.6971 8.0425 8.0849 8.1558 8.1998 9.3000 9.3113 10.0688 10.1140 10.7471 10.9278 11.4907 11.5738 11.6449 11.6647 12.1467 12.2565 12.8477 12.8595 13.7785 13.7964 14.0460 14.0655 14.5286 14.5804 15.2751 15.4465 15.5967 15.6801 k = 0.0952 0.1650-0.0000 ( 4389 PWs) bands (ev): -2.6434 -2.6434 -2.6298 -2.6283 -2.6215 -2.6214 -2.6158 -2.6146 -2.2016 -2.2013 -2.1948 -2.1948 -2.1758 -2.1743 -2.1659 -2.1646 -2.1362 -2.1355 -2.1301 -2.1299 2.5825 2.5837 4.4958 4.5120 5.6965 5.7033 5.7425 5.7913 5.9227 5.9400 6.0731 6.1666 6.7846 6.8478 6.8572 6.9107 6.9472 6.9916 7.6704 7.6972 7.9934 8.0355 8.1421 8.1825 9.3057 9.3146 10.1346 10.1799 10.7682 10.9310 11.5716 11.6152 11.6588 11.7580 12.2348 12.3250 12.9275 12.9405 13.7729 13.7896 14.0722 14.0969 14.5215 14.5755 15.3027 15.4951 15.6079 15.6283 k = 0.0884 0.1532-0.0000 ( 4397 PWs) bands (ev): -2.6436 -2.6435 -2.6295 -2.6282 -2.6217 -2.6216 -2.6152 -2.6142 -2.2016 -2.2014 -2.1948 -2.1948 -2.1751 -2.1739 -2.1657 -2.1646 -2.1365 -2.1359 -2.1301 -2.1300 2.5389 2.5398 4.4857 4.4991 5.6906 5.6974 5.7443 5.7852 5.9200 5.9348 6.0862 6.1640 6.7944 6.8295 6.8481 6.8884 6.9459 6.9861 7.6755 7.6974 7.9361 7.9714 8.1432 8.1742 9.3107 9.3175 10.2011 10.2459 10.7855 10.9303 11.5654 11.6255 11.7649 11.8717 12.3234 12.3940 13.0083 13.0219 13.7676 13.7831 14.0982 14.1279 14.5144 14.5701 15.3354 15.5165 15.5518 15.5546 k = 0.0816 0.1414-0.0000 ( 4397 PWs) bands (ev): -2.6437 -2.6437 -2.6292 -2.6281 -2.6218 -2.6218 -2.6146 -2.6138 -2.2016 -2.2014 -2.1947 -2.1947 -2.1745 -2.1735 -2.1655 -2.1647 -2.1367 -2.1363 -2.1301 -2.1299 2.4982 2.4989 4.4765 4.4873 5.6804 5.6882 5.7501 5.7821 5.9173 5.9297 6.0996 6.1633 6.8026 6.8141 6.8339 6.8740 6.9459 6.9819 7.6800 7.6978 7.8757 7.9049 8.1472 8.1705 9.3149 9.3201 10.2677 10.3116 10.7994 10.9268 11.5585 11.6102 11.8932 11.9821 12.4112 12.4631 13.0892 13.1031 13.7625 13.7770 14.1239 14.1583 14.5074 14.5641 15.3681 15.4451 15.4716 15.5772 k = 0.0748 0.1296-0.0000 ( 4401 PWs) bands (ev): -2.6437 -2.6437 -2.6289 -2.6280 -2.6220 -2.6220 -2.6141 -2.6135 -2.2015 -2.2014 -2.1947 -2.1947 -2.1739 -2.1731 -2.1654 -2.1647 -2.1370 -2.1366 -2.1300 -2.1299 2.4604 2.4609 4.4682 4.4767 5.6687 5.6768 5.7570 5.7815 5.9147 5.9249 6.1130 6.1640 6.7922 6.8149 6.8186 6.8677 6.9470 6.9791 7.6837 7.6981 7.8149 7.8389 8.1518 8.1692 9.3186 9.3225 10.3338 10.3764 10.8104 10.9212 11.5507 11.5938 12.0180 12.0886 12.4967 12.5314 13.1695 13.1832 13.7580 13.7714 14.1493 14.1875 14.5007 14.5573 15.3467 15.3563 15.4509 15.6170 k = 0.0680 0.1178-0.0000 ( 4399 PWs) bands (ev): -2.6438 -2.6438 -2.6285 -2.6279 -2.6222 -2.6221 -2.6135 -2.6131 -2.2015 -2.2014 -2.1946 -2.1946 -2.1733 -2.1727 -2.1652 -2.1647 -2.1372 -2.1369 -2.1300 -2.1299 2.4257 2.4260 4.4606 4.4671 5.6568 5.6643 5.7640 5.7822 5.9122 5.9203 6.1262 6.1660 6.7764 6.7947 6.8296 6.8661 6.9495 6.9777 7.6858 7.6981 7.7559 7.7747 8.1564 8.1691 9.3218 9.3246 10.3988 10.4397 10.8190 10.9143 11.5418 11.5769 12.1376 12.1907 12.5783 12.5983 13.2483 13.2616 13.7540 13.7664 14.1742 14.2149 14.4944 14.5498 15.2661 15.2678 15.4990 15.6625 k = 0.0612 0.1060-0.0000 ( 4405 PWs) bands (ev): -2.6440 -2.6440 -2.6283 -2.6278 -2.6224 -2.6223 -2.6131 -2.6128 -2.2015 -2.2014 -2.1946 -2.1945 -2.1729 -2.1724 -2.1651 -2.1647 -2.1374 -2.1372 -2.1300 -2.1300 2.3941 2.3943 4.4539 4.4587 5.6453 5.6516 5.7704 5.7837 5.9099 5.9161 6.1390 6.1691 6.7612 6.7752 6.8410 6.8670 6.9535 6.9778 7.6776 7.6935 7.7084 7.7172 8.1607 8.1698 9.3245 9.3266 10.4622 10.5007 10.8259 10.9067 11.5317 11.5594 12.2508 12.2883 12.6545 12.6626 13.3246 13.3371 13.7506 13.7620 14.1984 14.2399 14.4892 14.5416 15.1825 15.1829 15.5625 15.7135 k = 0.0544 0.0943-0.0000 ( 4407 PWs) bands (ev): -2.6440 -2.6440 -2.6280 -2.6276 -2.6225 -2.6225 -2.6127 -2.6125 -2.2015 -2.2015 -2.1945 -2.1945 -2.1725 -2.1722 -2.1649 -2.1647 -2.1376 -2.1374 -2.1300 -2.1300 2.3656 2.3658 4.4478 4.4513 5.6344 5.6394 5.7762 5.7856 5.9077 5.9123 6.1511 6.1730 6.7470 6.7573 6.8521 6.8697 6.9592 6.9796 7.6326 7.6478 7.6995 7.7034 8.1646 8.1709 9.3269 9.3283 10.5231 10.5588 10.8318 10.8991 11.5202 11.5414 12.3567 12.3810 12.7232 12.7235 13.3974 13.4089 13.7480 13.7584 14.2216 14.2615 14.4858 14.5333 15.1033 15.1035 15.6347 15.7696 k = 0.0476 0.0825-0.0000 ( 4399 PWs) bands (ev): -2.6441 -2.6440 -2.6277 -2.6275 -2.6227 -2.6227 -2.6123 -2.6121 -2.2014 -2.2014 -2.1945 -2.1945 -2.1720 -2.1718 -2.1648 -2.1646 -2.1378 -2.1377 -2.1299 -2.1299 2.3404 2.3405 4.4426 4.4450 5.6243 5.6280 5.7811 5.7875 5.9057 5.9090 6.1623 6.1774 6.7341 6.7412 6.8624 6.8735 6.9667 6.9831 7.5803 7.5917 7.7002 7.7032 8.1681 8.1723 9.3289 9.3298 10.5806 10.6126 10.8374 10.8922 11.5074 11.5230 12.4544 12.4685 12.7786 12.7841 13.4655 13.4756 13.7463 13.7555 14.2430 14.2786 14.4850 14.5255 15.0308 15.0308 15.7135 15.8298 k = 0.0408 0.0707-0.0000 ( 4403 PWs) bands (ev): -2.6441 -2.6441 -2.6275 -2.6273 -2.6229 -2.6229 -2.6120 -2.6119 -2.2014 -2.2014 -2.1945 -2.1945 -2.1717 -2.1715 -2.1647 -2.1646 -2.1380 -2.1379 -2.1299 -2.1299 2.3185 2.3186 4.4380 4.4395 5.6153 5.6177 5.7852 5.7893 5.9040 5.9061 6.1723 6.1821 6.7226 6.7272 6.8715 6.8779 6.9762 6.9886 7.5303 7.5386 7.7017 7.7036 8.1711 8.1737 9.3305 9.3311 10.6336 10.6609 10.8439 10.8866 11.4935 11.5043 12.5435 12.5502 12.8275 12.8351 13.5274 13.5360 13.7458 13.7537 14.2617 14.2905 14.4877 14.5193 14.9660 14.9660 15.7962 15.8916 k = 0.0340 0.0589-0.0000 ( 4409 PWs) bands (ev): -2.6441 -2.6441 -2.6274 -2.6273 -2.6231 -2.6231 -2.6117 -2.6116 -2.2014 -2.2014 -2.1945 -2.1945 -2.1714 -2.1713 -2.1647 -2.1646 -2.1382 -2.1381 -2.1299 -2.1299 2.2999 2.2999 4.4342 4.4351 5.6073 5.6088 5.7885 5.7909 5.9024 5.9037 6.1809 6.1868 6.7126 6.7153 6.8791 6.8824 6.9875 6.9960 7.4841 7.4897 7.7031 7.7043 8.1736 8.1751 9.3319 9.3322 10.6804 10.7018 10.8523 10.8833 11.4790 11.4859 12.6231 12.6252 12.8682 12.8756 13.5816 13.5884 13.7469 13.7534 14.2767 14.2970 14.4938 14.5155 14.9099 14.9099 15.8788 15.9508 k = 0.0272 0.0471-0.0000 ( 4397 PWs) bands (ev): -2.6441 -2.6441 -2.6272 -2.6271 -2.6232 -2.6232 -2.6114 -2.6114 -2.2014 -2.2013 -2.1944 -2.1944 -2.1711 -2.1710 -2.1646 -2.1645 -2.1383 -2.1382 -2.1298 -2.1298 2.2846 2.2846 4.4310 4.4315 5.6007 5.6015 5.7910 5.7923 5.9011 5.9018 6.1881 6.1912 6.7042 6.7055 6.8851 6.8866 6.9999 7.0050 7.4427 7.4461 7.7043 7.7049 8.1756 8.1764 9.3330 9.3332 10.7192 10.7334 10.8637 10.8832 11.4645 11.4684 12.6927 12.6929 12.8995 12.9052 13.6262 13.6311 13.7504 13.7550 14.2872 14.2992 14.5022 14.5148 14.8630 14.8630 15.9543 16.0011 k = 0.0204 0.0353-0.0000 ( 4399 PWs) bands (ev): -2.6441 -2.6441 -2.6271 -2.6271 -2.6234 -2.6234 -2.6112 -2.6112 -2.2013 -2.2013 -2.1945 -2.1945 -2.1708 -2.1708 -2.1646 -2.1646 -2.1384 -2.1384 -2.1297 -2.1297 2.2727 2.2727 4.4285 4.4287 5.5953 5.5957 5.7929 5.7934 5.9001 5.9004 6.1937 6.1950 6.6974 6.6980 6.8895 6.8901 7.0124 7.0149 7.4075 7.4092 7.7052 7.7054 8.1772 8.1775 9.3338 9.3339 10.7480 10.7552 10.8775 10.8871 11.4510 11.4528 12.7510 12.7519 12.9206 12.9240 13.6594 13.6621 13.7568 13.7594 14.2931 14.2987 14.5111 14.5169 14.8259 14.8259 16.0137 16.0371 k = 0.0136 0.0236-0.0000 ( 4395 PWs) bands (ev): -2.6441 -2.6441 -2.6270 -2.6270 -2.6235 -2.6235 -2.6110 -2.6110 -2.2013 -2.2013 -2.1944 -2.1944 -2.1707 -2.1707 -2.1646 -2.1646 -2.1385 -2.1385 -2.1297 -2.1297 2.2642 2.2642 4.4267 4.4268 5.5914 5.5915 5.7941 5.7943 5.8993 5.8994 6.1976 6.1980 6.6925 6.6927 6.8926 6.8927 7.0234 7.0242 7.3801 7.3806 7.7058 7.7059 8.1782 8.1783 9.3344 9.3344 10.7661 10.7685 10.8910 10.8940 11.4398 11.4404 12.7983 12.7989 12.9315 12.9329 13.6803 13.6813 13.7653 13.7662 14.2956 14.2973 14.5187 14.5205 14.7991 14.7991 16.0506 16.0581 k = 0.0068 0.0118-0.0000 ( 4391 PWs) bands (ev): -2.6441 -2.6441 -2.6269 -2.6269 -2.6236 -2.6236 -2.6109 -2.6109 -2.2013 -2.2013 -2.1944 -2.1944 -2.1706 -2.1706 -2.1645 -2.1645 -2.1385 -2.1385 -2.1296 -2.1296 2.2591 2.2591 4.4257 4.4257 5.5891 5.5891 5.7948 5.7948 5.8988 5.8988 6.1999 6.2000 6.6895 6.6895 6.8943 6.8944 7.0310 7.0311 7.3623 7.3624 7.7061 7.7061 8.1788 8.1789 9.3347 9.3347 10.7752 10.7755 10.9005 10.9009 11.4323 11.4324 12.8309 12.8310 12.9344 12.9346 13.6908 13.6909 13.7727 13.7728 14.2960 14.2962 14.5236 14.5239 14.7829 14.7829 16.0675 16.0685 k = 0.0000 0.0000 0.0000 ( 4397 PWs) bands (ev): -2.6441 -2.6441 -2.6269 -2.6269 -2.6236 -2.6236 -2.6109 -2.6109 -2.2013 -2.2013 -2.1944 -2.1944 -2.1706 -2.1706 -2.1645 -2.1645 -2.1385 -2.1385 -2.1297 -2.1297 2.2574 2.2574 4.4253 4.4253 5.5883 5.5883 5.7950 5.7950 5.8987 5.8987 6.2006 6.2006 6.6885 6.6885 6.8949 6.8949 7.0337 7.0337 7.3561 7.3561 7.7062 7.7062 8.1790 8.1790 9.3349 9.3349 10.7778 10.7778 10.9039 10.9039 11.4296 11.4296 12.8431 12.8431 12.9340 12.9340 13.6938 13.6938 13.7756 13.7756 14.2958 14.2958 14.5253 14.5253 14.7775 14.7775 16.0718 16.0718 k = 0.0000 0.0000 0.0000 ( 4397 PWs) bands (ev): -2.6441 -2.6441 -2.6269 -2.6269 -2.6236 -2.6236 -2.6109 -2.6109 -2.2013 -2.2013 -2.1944 -2.1944 -2.1706 -2.1706 -2.1645 -2.1645 -2.1385 -2.1385 -2.1297 -2.1297 2.2574 2.2574 4.4253 4.4253 5.5883 5.5883 5.7950 5.7950 5.8987 5.8987 6.2006 6.2006 6.6885 6.6885 6.8949 6.8949 7.0337 7.0337 7.3561 7.3561 7.7062 7.7062 8.1790 8.1790 9.3349 9.3349 10.7778 10.7778 10.9039 10.9039 11.4296 11.4296 12.8431 12.8431 12.9340 12.9340 13.6938 13.6938 13.7756 13.7756 14.2958 14.2958 14.5253 14.5253 14.7775 14.7775 16.0718 16.0718 k = 0.0000 0.0000 0.0135 ( 4397 PWs) bands (ev): -2.6441 -2.6441 -2.6270 -2.6268 -2.6236 -2.6236 -2.6110 -2.6108 -2.2013 -2.2013 -2.1945 -2.1943 -2.1706 -2.1706 -2.1645 -2.1645 -2.1386 -2.1386 -2.1298 -2.1296 2.2589 2.2589 4.4213 4.4213 5.5833 5.5935 5.7906 5.7991 5.8994 5.8994 6.2000 6.2000 6.6889 6.6889 6.8945 6.8945 7.0257 7.0427 7.3579 7.3579 7.7059 7.7059 8.1652 8.1906 9.3387 9.3387 10.7797 10.7797 10.8971 10.9154 11.4312 11.4312 12.8404 12.8467 12.9323 12.9323 13.6897 13.6897 13.7549 13.7860 14.2957 14.2957 14.5180 14.5281 14.7782 14.7782 16.0713 16.0713 k = 0.0000 0.0000 0.0270 ( 4397 PWs) bands (ev): -2.6441 -2.6441 -2.6271 -2.6266 -2.6236 -2.6236 -2.6112 -2.6107 -2.2013 -2.2013 -2.1946 -2.1941 -2.1706 -2.1706 -2.1645 -2.1645 -2.1387 -2.1387 -2.1300 -2.1295 2.2635 2.2635 4.4095 4.4095 5.5788 5.5990 5.7860 5.8030 5.9016 5.9016 6.1981 6.1981 6.6900 6.6900 6.8932 6.8932 7.0189 7.0527 7.3633 7.3633 7.7048 7.7048 8.1494 8.1998 9.3504 9.3504 10.7855 10.7855 10.8950 10.9315 11.4360 11.4360 12.8385 12.8513 12.9271 12.9271 13.6780 13.6780 13.7243 13.7860 14.2950 14.2950 14.5065 14.5264 14.7802 14.7802 16.0674 16.0674 k = 0.0000 0.0000 0.0406 ( 4409 PWs) bands (ev): -2.6441 -2.6441 -2.6272 -2.6265 -2.6236 -2.6236 -2.6114 -2.6107 -2.2014 -2.2014 -2.1946 -2.1939 -2.1707 -2.1707 -2.1645 -2.1645 -2.1388 -2.1388 -2.1303 -2.1296 2.2712 2.2712 4.3900 4.3900 5.5746 5.6046 5.7813 5.8065 5.9053 5.9053 6.1950 6.1950 6.6919 6.6919 6.8912 6.8912 7.0132 7.0635 7.3719 7.3719 7.7030 7.7030 8.1318 8.2065 9.3699 9.3699 10.7951 10.7951 10.8979 10.9520 11.4439 11.4439 12.8373 12.8569 12.9182 12.9182 13.6597 13.6597 13.6848 13.7761 14.2931 14.2931 14.4907 14.5198 14.7836 14.7836 16.0516 16.0516 k = 0.0000 0.0000 0.0541 ( 4409 PWs) bands (ev): -2.6440 -2.6440 -2.6273 -2.6263 -2.6236 -2.6236 -2.6115 -2.6106 -2.2013 -2.2013 -2.1946 -2.1936 -2.1707 -2.1707 -2.1644 -2.1644 -2.1390 -2.1390 -2.1306 -2.1297 2.2819 2.2819 4.3631 4.3631 5.5708 5.6104 5.7765 5.8098 5.9104 5.9104 6.1912 6.1912 6.6943 6.6943 6.8884 6.8884 7.0088 7.0751 7.3829 7.3829 7.7006 7.7006 8.1126 8.2107 9.3974 9.3974 10.8085 10.8085 10.9057 10.9767 11.4549 11.4549 12.8366 12.8635 12.9052 12.9052 13.6365 13.6365 13.6373 13.7570 14.2893 14.2893 14.4707 14.5082 14.7883 14.7883 16.0070 16.0070 k = 0.0000 0.0000 0.0676 ( 4415 PWs) bands (ev): -2.6440 -2.6440 -2.6272 -2.6260 -2.6235 -2.6235 -2.6117 -2.6106 -2.2014 -2.2014 -2.1945 -2.1932 -2.1708 -2.1708 -2.1642 -2.1642 -2.1392 -2.1392 -2.1311 -2.1299 2.2956 2.2956 4.3295 4.3295 5.5676 5.6162 5.7716 5.8126 5.9168 5.9168 6.1867 6.1867 6.6972 6.6972 6.8851 6.8851 7.0056 7.0873 7.3956 7.3956 7.6976 7.6976 8.0922 8.2122 9.4329 9.4329 10.8256 10.8256 10.9184 11.0055 11.4685 11.4685 12.8362 12.8709 12.8877 12.8877 13.5831 13.6103 13.6103 13.7300 14.2827 14.2827 14.4463 14.4915 14.7942 14.7942 15.9204 15.9204 k = 0.0000 0.0000 0.0811 ( 4415 PWs) bands (ev): -2.6437 -2.6437 -2.6272 -2.6258 -2.6235 -2.6235 -2.6120 -2.6107 -2.2013 -2.2013 -2.1943 -2.1929 -2.1710 -2.1710 -2.1641 -2.1641 -2.1395 -2.1395 -2.1315 -2.1302 2.3123 2.3123 4.2895 4.2895 5.5648 5.6220 5.7668 5.8151 5.9244 5.9244 6.1820 6.1820 6.7004 6.7004 6.8814 6.8814 7.0037 7.1000 7.4091 7.4091 7.6940 7.6940 8.0709 8.2111 9.4765 9.4765 10.8464 10.8464 10.9360 11.0380 11.4847 11.4847 12.8356 12.8649 12.8649 12.8789 13.5234 13.5830 13.5830 13.6964 14.2729 14.2729 14.4176 14.4697 14.8013 14.8013 15.8008 15.8008 k = 0.0000 0.0000 0.0946 ( 4415 PWs) bands (ev): -2.6435 -2.6435 -2.6272 -2.6256 -2.6234 -2.6234 -2.6121 -2.6107 -2.2012 -2.2012 -2.1941 -2.1925 -2.1710 -2.1710 -2.1640 -2.1640 -2.1398 -2.1398 -2.1319 -2.1304 2.3320 2.3320 4.2438 4.2438 5.5625 5.6275 5.7622 5.8173 5.9331 5.9331 6.1772 6.1772 6.7039 6.7039 6.8773 6.8773 7.0032 7.1130 7.4227 7.4227 7.6899 7.6899 8.0490 8.2074 9.5283 9.5283 10.8708 10.8708 10.9584 11.0742 11.5030 11.5030 12.8343 12.8366 12.8366 12.8871 13.4597 13.5565 13.5565 13.6579 14.2594 14.2594 14.3849 14.4432 14.8092 14.8092 15.6641 15.6641 k = 0.0000 0.0000 0.1082 ( 4403 PWs) bands (ev): -2.6432 -2.6432 -2.6271 -2.6253 -2.6233 -2.6233 -2.6123 -2.6107 -2.2011 -2.2011 -2.1938 -2.1919 -2.1711 -2.1711 -2.1638 -2.1638 -2.1401 -2.1401 -2.1323 -2.1306 2.3547 2.3547 4.1931 4.1931 5.5607 5.6327 5.7579 5.8190 5.9429 5.9429 6.1727 6.1727 6.7074 6.7074 6.8732 6.8732 7.0040 7.1262 7.4355 7.4355 7.6855 7.6855 8.0268 8.2012 9.5883 9.5883 10.8987 10.8987 10.9855 11.1138 11.5231 11.5231 12.8023 12.8023 12.8318 12.8949 13.3936 13.5321 13.5321 13.6161 14.2421 14.2421 14.3484 14.4122 14.8177 14.8177 15.5200 15.5200 k = 0.0000 0.0000 0.1217 ( 4403 PWs) bands (ev): -2.6430 -2.6430 -2.6270 -2.6251 -2.6233 -2.6233 -2.6125 -2.6108 -2.2010 -2.2010 -2.1935 -2.1915 -2.1712 -2.1712 -2.1636 -2.1636 -2.1406 -2.1406 -2.1327 -2.1309 2.3802 2.3802 4.1380 4.1380 5.5594 5.6373 5.7540 5.8203 5.9535 5.9535 6.1684 6.1684 6.7108 6.7108 6.8690 6.8690 7.0062 7.1392 7.4470 7.4470 7.6807 7.6807 8.0047 8.1927 9.6561 9.6561 10.9301 10.9301 11.0171 11.1565 11.5442 11.5442 12.7619 12.7619 12.8273 12.9011 13.3271 13.5110 13.5110 13.5728 14.2213 14.2213 14.3085 14.3773 14.8260 14.8260 15.3743 15.3743 k = 0.0000 0.0000 0.1352 ( 4409 PWs) bands (ev): -2.6427 -2.6427 -2.6269 -2.6250 -2.6232 -2.6232 -2.6127 -2.6109 -2.2009 -2.2009 -2.1932 -2.1911 -2.1714 -2.1714 -2.1635 -2.1635 -2.1410 -2.1410 -2.1332 -2.1313 2.4087 2.4087 4.0791 4.0791 5.5587 5.6412 5.7508 5.8212 5.9648 5.9648 6.1647 6.1647 6.7139 6.7139 6.8651 6.8651 7.0097 7.1520 7.4567 7.4567 7.6758 7.6758 7.9831 8.1819 9.7317 9.7317 10.9647 10.9647 11.0531 11.2021 11.5658 11.5658 12.7157 12.7157 12.8198 12.9032 13.2633 13.4937 13.4937 13.5297 14.1973 14.1973 14.2660 14.3390 14.8325 14.8325 15.2312 15.2312 k = 0.0000 0.0000 0.1487 ( 4397 PWs) bands (ev): -2.6425 -2.6425 -2.6268 -2.6247 -2.6231 -2.6231 -2.6128 -2.6109 -2.2008 -2.2008 -2.1927 -2.1906 -2.1714 -2.1714 -2.1633 -2.1633 -2.1414 -2.1414 -2.1336 -2.1316 2.4399 2.4399 4.0172 4.0172 5.5585 5.6442 5.7485 5.8217 5.9767 5.9767 6.1614 6.1614 6.7167 6.7167 6.8615 6.8615 7.0145 7.1641 7.4643 7.4643 7.6707 7.6707 7.9624 8.1691 9.8145 9.8145 11.0026 11.0026 11.0932 11.2505 11.5870 11.5870 12.6640 12.6640 12.8082 12.8975 13.2069 13.4806 13.4806 13.4889 14.1703 14.1703 14.2213 14.2980 14.8331 14.8331 15.0969 15.0969 k = 0.0000 0.0000 0.1622 ( 4384 PWs) bands (ev): -2.6421 -2.6421 -2.6266 -2.6246 -2.6230 -2.6230 -2.6129 -2.6109 -2.2006 -2.2006 -2.1923 -2.1902 -2.1714 -2.1714 -2.1631 -2.1631 -2.1419 -2.1419 -2.1339 -2.1319 2.4738 2.4738 3.9527 3.9527 5.5588 5.6460 5.7472 5.8217 5.9889 5.9889 6.1587 6.1587 6.7189 6.7189 6.8584 6.8584 7.0206 7.1754 7.4697 7.4697 7.6657 7.6657 7.9431 8.1545 9.9041 9.9041 11.0436 11.0436 11.1373 11.3012 11.6069 11.6069 12.6076 12.6076 12.7913 12.8778 13.1643 13.4520 13.4715 13.4715 14.1409 14.1409 14.1752 14.2549 14.8123 14.8123 14.9881 14.9881 k = 0.0000 0.0000 0.1758 ( 4384 PWs) bands (ev): -2.6418 -2.6418 -2.6265 -2.6244 -2.6230 -2.6230 -2.6130 -2.6110 -2.2005 -2.2005 -2.1919 -2.1898 -2.1715 -2.1715 -2.1630 -2.1630 -2.1424 -2.1424 -2.1343 -2.1323 2.5103 2.5103 3.8863 3.8863 5.5597 5.6465 5.7470 5.8214 6.0014 6.0014 6.1564 6.1564 6.7206 6.7206 6.8559 6.8559 7.0280 7.1855 7.4729 7.4729 7.6607 7.6607 7.9255 8.1382 9.9999 9.9999 11.0875 11.0875 11.1851 11.3542 11.6241 11.6241 12.5472 12.5472 12.7680 12.8398 13.1406 13.4206 13.4661 13.4661 14.1095 14.1095 14.1284 14.2104 14.7400 14.7400 14.9360 14.9360 k = 0.0000 0.0000 0.1893 ( 4408 PWs) bands (ev): -2.6415 -2.6415 -2.6264 -2.6243 -2.6231 -2.6231 -2.6132 -2.6113 -2.2004 -2.2004 -2.1916 -2.1895 -2.1718 -2.1718 -2.1628 -2.1628 -2.1430 -2.1430 -2.1348 -2.1328 2.5494 2.5494 3.8186 3.8186 5.5611 5.6458 5.7481 5.8205 6.0139 6.0139 6.1546 6.1546 6.7216 6.7216 6.8541 6.8541 7.0366 7.1941 7.4742 7.4742 7.6559 7.6559 7.9100 8.1206 10.1011 10.1011 11.1342 11.1342 11.2363 11.4090 11.6374 11.6374 12.4837 12.4837 12.7376 12.7850 13.1345 13.3958 13.4640 13.4640 14.0764 14.0764 14.0814 14.1650 14.6335 14.6335 14.9238 14.9238 k = 0.0000 0.0000 0.2028 ( 4408 PWs) bands (ev): -2.6413 -2.6413 -2.6263 -2.6242 -2.6231 -2.6231 -2.6133 -2.6114 -2.2003 -2.2003 -2.1912 -2.1891 -2.1718 -2.1718 -2.1627 -2.1627 -2.1435 -2.1435 -2.1352 -2.1332 2.5909 2.5909 3.7501 3.7501 5.5630 5.6438 5.7502 5.8193 6.0262 6.0262 6.1532 6.1532 6.7219 6.7219 6.8530 6.8530 7.0463 7.2008 7.4737 7.4737 7.6513 7.6513 7.8972 8.1017 10.2069 10.2069 11.1835 11.1835 11.2906 11.4653 11.6452 11.6452 12.4180 12.4180 12.7001 12.7191 13.1409 13.3779 13.4647 13.4647 14.0351 14.0422 14.0422 14.1194 14.5238 14.5238 14.9198 14.9198 k = 0.0000 0.0000 0.2163 ( 4426 PWs) bands (ev): -2.6411 -2.6411 -2.6261 -2.6242 -2.6232 -2.6232 -2.6134 -2.6116 -2.2003 -2.2003 -2.1909 -2.1889 -2.1719 -2.1719 -2.1626 -2.1626 -2.1440 -2.1440 -2.1356 -2.1338 2.6346 2.6346 3.6813 3.6813 5.5654 5.6407 5.7534 5.8177 6.0381 6.0381 6.1520 6.1520 6.7217 6.7217 6.8526 6.8526 7.0570 7.2055 7.4718 7.4718 7.6470 7.6470 7.8872 8.0820 10.3164 10.3164 11.2350 11.2350 11.3478 11.5227 11.6459 11.6459 12.3508 12.3508 12.6472 12.6559 13.1551 13.3666 13.4676 13.4676 13.9902 14.0074 14.0074 14.0741 14.4215 14.4215 14.9109 14.9109 k = 0.0000 0.0000 0.2298 ( 4426 PWs) bands (ev): -2.6409 -2.6409 -2.6260 -2.6241 -2.6231 -2.6231 -2.6134 -2.6118 -2.2002 -2.2002 -2.1905 -2.1886 -2.1720 -2.1720 -2.1624 -2.1624 -2.1444 -2.1444 -2.1360 -2.1342 2.6803 2.6803 3.6128 3.6128 5.5683 5.6367 5.7572 5.8156 6.0494 6.0494 6.1511 6.1511 6.7210 6.7210 6.8526 6.8526 7.0686 7.2079 7.4690 7.4690 7.6430 7.6430 7.8805 8.0615 10.4285 10.4285 11.2886 11.2886 11.4073 11.5807 11.6378 11.6378 12.2828 12.2828 12.5728 12.6061 13.1742 13.3608 13.4723 13.4723 13.9476 13.9725 13.9725 14.0298 14.3308 14.3308 14.8879 14.8879 k = 0.0000 0.0000 0.2434 ( 4426 PWs) bands (ev): -2.6406 -2.6406 -2.6258 -2.6241 -2.6231 -2.6231 -2.6134 -2.6119 -2.2001 -2.2001 -2.1900 -2.1884 -2.1721 -2.1721 -2.1623 -2.1623 -2.1448 -2.1448 -2.1362 -2.1347 2.7276 2.7276 3.5451 3.5451 5.5716 5.6321 5.7616 5.8131 6.0600 6.0600 6.1503 6.1503 6.7200 6.7200 6.8531 6.8531 7.0811 7.2078 7.4656 7.4656 7.6393 7.6393 7.8772 8.0407 10.5421 10.5421 11.3436 11.3436 11.4689 11.6198 11.6198 11.6383 12.2149 12.2149 12.4983 12.5519 13.1963 13.3590 13.4781 13.4781 13.9082 13.9386 13.9386 13.9871 14.2535 14.2535 14.8459 14.8459 k = 0.0000 0.0000 0.2569 ( 4426 PWs) bands (ev): -2.6404 -2.6404 -2.6256 -2.6241 -2.6231 -2.6231 -2.6134 -2.6121 -2.2000 -2.2000 -2.1897 -2.1882 -2.1721 -2.1721 -2.1622 -2.1622 -2.1451 -2.1451 -2.1364 -2.1351 2.7761 2.7761 3.4791 3.4791 5.5754 5.6271 5.7663 5.8103 6.0695 6.0695 6.1496 6.1496 6.7188 6.7188 6.8538 6.8538 7.0941 7.2052 7.4620 7.4620 7.6361 7.6361 7.8773 8.0198 10.6557 10.6557 11.3992 11.3992 11.5318 11.5911 11.5911 11.6943 12.1476 12.1476 12.4259 12.4950 13.2202 13.3595 13.4846 13.4846 13.8733 13.9071 13.9071 13.9467 14.1903 14.1903 14.7898 14.7898 k = 0.0000 0.0000 0.2704 ( 4426 PWs) bands (ev): -2.6403 -2.6403 -2.6254 -2.6242 -2.6231 -2.6231 -2.6134 -2.6123 -2.1999 -2.1999 -2.1893 -2.1881 -2.1722 -2.1722 -2.1621 -2.1621 -2.1454 -2.1454 -2.1365 -2.1354 2.8248 2.8248 3.4159 3.4159 5.5795 5.6217 5.7712 5.8070 6.0778 6.0778 6.1489 6.1489 6.7176 6.7176 6.8546 6.8546 7.1077 7.2003 7.4585 7.4585 7.6334 7.6334 7.8809 7.9991 10.7675 10.7675 11.4522 11.4522 11.5539 11.5539 11.5952 11.7465 12.0821 12.0821 12.3584 12.4368 13.2450 13.3603 13.4910 13.4910 13.8442 13.8795 13.8795 13.9093 14.1407 14.1407 14.7306 14.7306 k = 0.0000 0.0000 0.2839 ( 4408 PWs) bands (ev): -2.6400 -2.6400 -2.6252 -2.6243 -2.6230 -2.6230 -2.6132 -2.6124 -2.1997 -2.1997 -2.1889 -2.1880 -2.1722 -2.1722 -2.1620 -2.1620 -2.1455 -2.1455 -2.1365 -2.1357 2.8721 2.8721 3.3570 3.3570 5.5841 5.6161 5.7762 5.8034 6.0847 6.0847 6.1482 6.1482 6.7166 6.7166 6.8554 6.8554 7.1214 7.1932 7.4554 7.4554 7.6312 7.6312 7.8877 7.9789 10.8751 10.8751 11.4751 11.4751 11.5351 11.5351 11.6579 11.7910 12.0198 12.0198 12.2999 12.3794 13.2698 13.3595 13.4969 13.4969 13.8223 13.8574 13.8574 13.8759 14.1037 14.1037 14.6771 14.6771 k = 0.0000 0.0000 0.2974 ( 4408 PWs) bands (ev): -2.6399 -2.6399 -2.6250 -2.6244 -2.6230 -2.6230 -2.6131 -2.6126 -2.1997 -2.1997 -2.1887 -2.1880 -2.1722 -2.1722 -2.1619 -2.1619 -2.1457 -2.1457 -2.1365 -2.1359 2.9151 2.9151 3.3057 3.3057 5.5889 5.6105 5.7812 5.7995 6.0899 6.0899 6.1476 6.1476 6.7158 6.7158 6.8560 6.8560 7.1352 7.1841 7.4531 7.4531 7.6296 7.6296 7.8975 7.9596 10.9741 10.9741 11.4295 11.4295 11.5734 11.5734 11.7177 11.8214 11.9639 11.9639 12.2570 12.3255 13.2935 13.3553 13.5016 13.5016 13.8091 13.8414 13.8414 13.8475 14.0783 14.0783 14.6353 14.6353 k = 0.0000 0.0000 0.3110 ( 4408 PWs) bands (ev): -2.6398 -2.6398 -2.6248 -2.6245 -2.6230 -2.6230 -2.6130 -2.6127 -2.1997 -2.1997 -2.1884 -2.1881 -2.1722 -2.1722 -2.1619 -2.1619 -2.1458 -2.1458 -2.1365 -2.1362 2.9476 2.9476 3.2682 3.2682 5.5940 5.6049 5.7861 5.7953 6.0931 6.0931 6.1472 6.1472 6.7152 6.7152 6.8564 6.8564 7.1486 7.1734 7.4516 7.4516 7.6286 7.6286 7.9100 7.9414 11.0544 11.0544 11.3758 11.3758 11.6111 11.6111 11.7708 11.8294 11.9213 11.9213 12.2380 12.2792 13.3149 13.3466 13.5046 13.5046 13.8052 13.8254 13.8320 13.8320 14.0634 14.0634 14.6087 14.6087 k = 0.0000 0.0000 0.3245 ( 4408 PWs) bands (ev): -2.6398 -2.6398 -2.6247 -2.6247 -2.6230 -2.6230 -2.6129 -2.6129 -2.1996 -2.1996 -2.1882 -2.1882 -2.1722 -2.1722 -2.1618 -2.1618 -2.1459 -2.1459 -2.1364 -2.1364 2.9603 2.9603 3.2538 3.2538 5.5993 5.5993 5.7908 5.7908 6.0942 6.0942 6.1470 6.1470 6.7150 6.7150 6.8566 6.8566 7.1615 7.1615 7.4511 7.4511 7.6283 7.6283 7.9247 7.9247 11.0896 11.0896 11.3492 11.3492 11.6267 11.6267 11.8109 11.8109 11.9044 11.9044 12.2471 12.2471 13.3329 13.3329 13.5057 13.5057 13.8109 13.8109 13.8289 13.8289 14.0585 14.0585 14.5995 14.5995 k = 0.0000 0.0000 0.3245 ( 4408 PWs) bands (ev): -2.6398 -2.6398 -2.6247 -2.6247 -2.6230 -2.6230 -2.6129 -2.6129 -2.1996 -2.1996 -2.1882 -2.1882 -2.1722 -2.1722 -2.1618 -2.1618 -2.1459 -2.1459 -2.1364 -2.1364 2.9603 2.9603 3.2538 3.2538 5.5993 5.5993 5.7908 5.7908 6.0942 6.0942 6.1470 6.1470 6.7150 6.7150 6.8566 6.8566 7.1615 7.1615 7.4511 7.4511 7.6283 7.6283 7.9247 7.9247 11.0896 11.0896 11.3492 11.3492 11.6267 11.6267 11.8109 11.8109 11.9044 11.9044 12.2471 12.2471 13.3329 13.3329 13.5057 13.5057 13.8109 13.8109 13.8289 13.8289 14.0585 14.0585 14.5995 14.5995 k = 0.0119 0.0069 0.3245 ( 4414 PWs) bands (ev): -2.6398 -2.6398 -2.6247 -2.6247 -2.6230 -2.6230 -2.6129 -2.6129 -2.1997 -2.1997 -2.1882 -2.1882 -2.1723 -2.1723 -2.1619 -2.1619 -2.1459 -2.1459 -2.1364 -2.1364 2.9616 2.9616 3.2554 3.2554 5.5999 5.5999 5.7908 5.7908 6.0944 6.0944 6.1472 6.1472 6.7156 6.7156 6.8564 6.8564 7.1619 7.1619 7.4514 7.4514 7.6285 7.6285 7.9247 7.9247 11.0902 11.0902 11.3392 11.3392 11.6291 11.6291 11.8112 11.8112 11.8987 11.8987 12.2406 12.2406 13.3330 13.3330 13.5053 13.5053 13.8078 13.8078 13.8316 13.8316 14.0637 14.0637 14.6036 14.6036 k = 0.0238 0.0137 0.3245 ( 4410 PWs) bands (ev): -2.6398 -2.6398 -2.6248 -2.6248 -2.6229 -2.6229 -2.6130 -2.6130 -2.1997 -2.1997 -2.1882 -2.1882 -2.1724 -2.1724 -2.1619 -2.1619 -2.1458 -2.1458 -2.1363 -2.1363 2.9654 2.9654 3.2600 3.2600 5.6014 5.6014 5.7908 5.7908 6.0952 6.0952 6.1479 6.1479 6.7171 6.7171 6.8557 6.8557 7.1632 7.1632 7.4523 7.4523 7.6294 7.6294 7.9246 7.9246 11.0920 11.0920 11.3107 11.3107 11.6348 11.6348 11.8119 11.8119 11.8819 11.8819 12.2217 12.2217 13.3332 13.3332 13.5048 13.5048 13.7986 13.7986 13.8378 13.8378 14.0804 14.0804 14.6153 14.6153 k = 0.0357 0.0206 0.3245 ( 4406 PWs) bands (ev): -2.6398 -2.6398 -2.6248 -2.6248 -2.6227 -2.6227 -2.6131 -2.6131 -2.1997 -2.1997 -2.1882 -2.1882 -2.1725 -2.1725 -2.1619 -2.1619 -2.1457 -2.1457 -2.1363 -2.1363 2.9716 2.9716 3.2678 3.2678 5.6039 5.6039 5.7909 5.7909 6.0966 6.0966 6.1489 6.1489 6.7197 6.7197 6.8547 6.8547 7.1653 7.1653 7.4537 7.4537 7.6307 7.6307 7.9246 7.9246 11.0947 11.0947 11.2675 11.2675 11.6406 11.6406 11.8102 11.8102 11.8564 11.8564 12.1927 12.1927 13.3330 13.3330 13.5059 13.5059 13.7835 13.7835 13.8425 13.8425 14.1111 14.1111 14.6341 14.6341 k = 0.0476 0.0275 0.3245 ( 4406 PWs) bands (ev): -2.6398 -2.6398 -2.6250 -2.6250 -2.6226 -2.6226 -2.6132 -2.6132 -2.1997 -2.1997 -2.1883 -2.1883 -2.1726 -2.1726 -2.1620 -2.1620 -2.1456 -2.1456 -2.1363 -2.1363 2.9804 2.9804 3.2787 3.2787 5.6075 5.6075 5.7909 5.7909 6.0984 6.0984 6.1502 6.1502 6.7234 6.7234 6.8534 6.8534 7.1682 7.1682 7.4556 7.4556 7.6327 7.6327 7.9245 7.9245 11.0978 11.0978 11.2130 11.2130 11.6434 11.6434 11.7927 11.7927 11.8356 11.8356 12.1565 12.1565 13.3322 13.3322 13.5099 13.5099 13.7629 13.7629 13.8421 13.8421 14.1563 14.1563 14.6586 14.6586 k = 0.0595 0.0344 0.3245 ( 4406 PWs) bands (ev): -2.6398 -2.6398 -2.6252 -2.6252 -2.6224 -2.6224 -2.6134 -2.6134 -2.1997 -2.1997 -2.1883 -2.1883 -2.1728 -2.1728 -2.1621 -2.1621 -2.1455 -2.1455 -2.1363 -2.1363 2.9916 2.9916 3.2927 3.2927 5.6120 5.6120 5.7911 5.7911 6.1007 6.1007 6.1520 6.1520 6.7280 6.7280 6.8520 6.8520 7.1717 7.1717 7.4580 7.4580 7.6352 7.6352 7.9244 7.9244 11.0991 11.0991 11.1516 11.1516 11.6395 11.6395 11.7499 11.7499 11.8313 11.8313 12.1159 12.1159 13.3305 13.3305 13.5175 13.5175 13.7375 13.7375 13.8358 13.8358 14.2142 14.2142 14.6877 14.6877 k = 0.0714 0.0412 0.3245 ( 4410 PWs) bands (ev): -2.6397 -2.6397 -2.6254 -2.6254 -2.6223 -2.6223 -2.6137 -2.6137 -2.1997 -2.1997 -2.1884 -2.1884 -2.1730 -2.1730 -2.1623 -2.1623 -2.1454 -2.1454 -2.1362 -2.1362 3.0053 3.0053 3.3097 3.3097 5.6176 5.6176 5.7912 5.7912 6.1035 6.1035 6.1540 6.1540 6.7336 6.7336 6.8505 6.8505 7.1757 7.1757 7.4608 7.4608 7.6385 7.6385 7.9244 7.9244 11.0686 11.0686 11.1142 11.1142 11.6197 11.6197 11.7039 11.7039 11.8307 11.8307 12.0733 12.0733 13.3277 13.3277 13.5286 13.5286 13.7085 13.7085 13.8245 13.8245 14.2815 14.2815 14.7201 14.7201 k = 0.0833 0.0481 0.3245 ( 4406 PWs) bands (ev): -2.6397 -2.6397 -2.6256 -2.6256 -2.6221 -2.6221 -2.6139 -2.6139 -2.1997 -2.1997 -2.1884 -2.1884 -2.1732 -2.1732 -2.1624 -2.1624 -2.1453 -2.1453 -2.1362 -2.1362 3.0215 3.0215 3.3297 3.3297 5.6240 5.6240 5.7915 5.7915 6.1066 6.1066 6.1563 6.1563 6.7402 6.7402 6.8492 6.8492 7.1803 7.1803 7.4639 7.4639 7.6424 7.6424 7.9244 7.9244 10.9948 10.9948 11.1119 11.1119 11.5702 11.5702 11.6756 11.6756 11.8290 11.8290 12.0302 12.0302 13.3238 13.3238 13.5420 13.5420 13.6775 13.6775 13.8094 13.8094 14.3551 14.3551 14.7545 14.7545 k = 0.0952 0.0550 0.3245 ( 4410 PWs) bands (ev): -2.6397 -2.6397 -2.6258 -2.6258 -2.6219 -2.6219 -2.6142 -2.6142 -2.1997 -2.1997 -2.1884 -2.1884 -2.1735 -2.1735 -2.1626 -2.1626 -2.1451 -2.1451 -2.1362 -2.1362 3.0400 3.0400 3.3526 3.3526 5.6314 5.6314 5.7919 5.7919 6.1102 6.1102 6.1588 6.1588 6.7477 6.7477 6.8482 6.8482 7.1851 7.1851 7.4671 7.4671 7.6471 7.6471 7.9245 7.9245 10.9127 10.9127 11.1077 11.1077 11.5015 11.5015 11.6601 11.6601 11.8243 11.8243 11.9878 11.9878 13.3189 13.3189 13.5543 13.5543 13.6479 13.6479 13.7915 13.7915 14.4325 14.4325 14.7901 14.7901 k = 0.1071 0.0619 0.3245 ( 4406 PWs) bands (ev): -2.6397 -2.6397 -2.6259 -2.6259 -2.6217 -2.6217 -2.6146 -2.6146 -2.1997 -2.1997 -2.1885 -2.1885 -2.1738 -2.1738 -2.1627 -2.1627 -2.1449 -2.1449 -2.1361 -2.1361 3.0609 3.0609 3.3784 3.3784 5.6398 5.6398 5.7924 5.7924 6.1141 6.1141 6.1616 6.1616 6.7560 6.7560 6.8478 6.8478 7.1903 7.1903 7.4706 7.4706 7.6526 7.6526 7.9246 7.9246 10.8260 10.8260 11.0928 11.0928 11.4322 11.4322 11.6469 11.6469 11.8150 11.8150 11.9473 11.9473 13.3130 13.3130 13.5556 13.5556 13.6299 13.6299 13.7719 13.7719 14.5116 14.5116 14.8260 14.8260 k = 0.1190 0.0687 0.3245 ( 4404 PWs) bands (ev): -2.6397 -2.6397 -2.6261 -2.6261 -2.6215 -2.6215 -2.6149 -2.6149 -2.1998 -2.1998 -2.1885 -2.1885 -2.1742 -2.1742 -2.1629 -2.1629 -2.1447 -2.1447 -2.1361 -2.1361 3.0840 3.0840 3.4071 3.4071 5.6490 5.6490 5.7932 5.7932 6.1182 6.1182 6.1644 6.1644 6.7650 6.7650 6.8481 6.8481 7.1956 7.1956 7.4740 7.4740 7.6590 7.6590 7.9249 7.9249 10.7355 10.7355 11.0577 11.0577 11.3768 11.3768 11.6329 11.6329 11.7991 11.7991 11.9104 11.9104 13.3061 13.3061 13.5344 13.5344 13.6346 13.6346 13.7512 13.7512 14.5908 14.5908 14.8613 14.8613 k = 0.1310 0.0756 0.3245 ( 4402 PWs) bands (ev): -2.6396 -2.6396 -2.6263 -2.6263 -2.6214 -2.6214 -2.6154 -2.6154 -2.1998 -2.1998 -2.1885 -2.1885 -2.1746 -2.1746 -2.1630 -2.1630 -2.1445 -2.1445 -2.1360 -2.1360 3.1095 3.1095 3.4385 3.4385 5.6590 5.6590 5.7942 5.7942 6.1225 6.1225 6.1673 6.1673 6.7745 6.7745 6.8495 6.8495 7.2009 7.2009 7.4774 7.4774 7.6662 7.6662 7.9253 7.9253 10.6422 10.6422 10.9953 10.9953 11.3447 11.3447 11.6170 11.6170 11.7747 11.7747 11.8790 11.8790 13.2982 13.2982 13.5005 13.5005 13.6523 13.6523 13.7304 13.7304 14.6687 14.6687 14.8957 14.8957 k = 0.1429 0.0825 0.3245 ( 4414 PWs) bands (ev): -2.6396 -2.6396 -2.6265 -2.6265 -2.6213 -2.6213 -2.6159 -2.6159 -2.1998 -2.1998 -2.1886 -2.1886 -2.1751 -2.1751 -2.1632 -2.1632 -2.1443 -2.1443 -2.1360 -2.1360 3.1371 3.1371 3.4725 3.4725 5.6698 5.6698 5.7955 5.7955 6.1269 6.1269 6.1703 6.1703 6.7842 6.7842 6.8523 6.8523 7.2063 7.2063 7.4806 7.4806 7.6743 7.6743 7.9260 7.9260 10.5465 10.5465 10.9087 10.9087 11.3340 11.3340 11.5989 11.5989 11.7417 11.7417 11.8532 11.8532 13.2894 13.2894 13.4626 13.4626 13.6723 13.6723 13.7119 13.7119 14.7437 14.7437 14.9288 14.9288 k = 0.1548 0.0894 0.3245 ( 4414 PWs) bands (ev): -2.6396 -2.6396 -2.6266 -2.6266 -2.6211 -2.6211 -2.6164 -2.6164 -2.1999 -2.1999 -2.1886 -2.1886 -2.1756 -2.1756 -2.1634 -2.1634 -2.1440 -2.1440 -2.1361 -2.1361 3.1669 3.1669 3.5092 3.5092 5.6814 5.6814 5.7971 5.7971 6.1314 6.1314 6.1734 6.1734 6.7938 6.7938 6.8568 6.8568 7.2115 7.2115 7.4837 7.4837 7.6832 7.6832 7.9269 7.9269 10.4489 10.4489 10.8065 10.8065 11.3369 11.3369 11.5788 11.5788 11.7025 11.7025 11.8307 11.8307 13.2797 13.2797 13.4238 13.4238 13.6768 13.6768 13.7110 13.7110 14.8137 14.8137 14.9604 14.9604 k = 0.1667 0.0962 0.3245 ( 4410 PWs) bands (ev): -2.6395 -2.6395 -2.6268 -2.6268 -2.6209 -2.6209 -2.6168 -2.6168 -2.1999 -2.1999 -2.1887 -2.1887 -2.1761 -2.1761 -2.1635 -2.1635 -2.1438 -2.1438 -2.1360 -2.1360 3.1987 3.1987 3.5482 3.5482 5.6937 5.6937 5.7993 5.7993 6.1358 6.1358 6.1765 6.1765 6.8029 6.8029 6.8634 6.8634 7.2166 7.2166 7.4865 7.4865 7.6929 7.6929 7.9282 7.9282 10.3499 10.3499 10.6952 10.6952 11.3471 11.3471 11.5566 11.5566 11.6603 11.6603 11.8090 11.8090 13.2689 13.2689 13.3853 13.3853 13.6609 13.6609 13.7321 13.7321 14.8761 14.8761 14.9911 14.9911 k = 0.1786 0.1031 0.3245 ( 4412 PWs) bands (ev): -2.6395 -2.6395 -2.6270 -2.6270 -2.6209 -2.6209 -2.6173 -2.6173 -2.1999 -2.1999 -2.1888 -2.1888 -2.1766 -2.1766 -2.1636 -2.1636 -2.1435 -2.1435 -2.1360 -2.1360 3.2325 3.2325 3.5896 3.5896 5.7066 5.7066 5.8019 5.8019 6.1400 6.1400 6.1797 6.1797 6.8114 6.8114 6.8724 6.8724 7.2215 7.2215 7.4891 7.4891 7.7033 7.7033 7.9298 7.9298 10.2499 10.2499 10.5789 10.5789 11.3602 11.3602 11.5327 11.5327 11.6176 11.6176 11.7865 11.7865 13.2571 13.2571 13.3478 13.3478 13.6429 13.6429 13.7568 13.7568 14.9271 14.9271 15.0217 15.0217 k = 0.1905 0.1100 0.3245 ( 4408 PWs) bands (ev): -2.6394 -2.6394 -2.6271 -2.6271 -2.6208 -2.6208 -2.6178 -2.6178 -2.1999 -2.1999 -2.1888 -2.1888 -2.1771 -2.1771 -2.1638 -2.1638 -2.1432 -2.1432 -2.1360 -2.1360 3.2681 3.2681 3.6332 3.6332 5.7202 5.7202 5.8052 5.8052 6.1437 6.1437 6.1831 6.1831 6.8191 6.8191 6.8835 6.8835 7.2262 7.2262 7.4916 7.4916 7.7143 7.7143 7.9319 7.9319 10.1491 10.1491 10.4598 10.4598 11.3721 11.3721 11.5071 11.5071 11.5780 11.5780 11.7625 11.7625 13.2441 13.2441 13.3120 13.3120 13.6259 13.6259 13.7818 13.7818 14.9636 14.9636 15.0524 15.0524 k = 0.2024 0.1168 0.3245 ( 4414 PWs) bands (ev): -2.6393 -2.6393 -2.6273 -2.6273 -2.6209 -2.6209 -2.6182 -2.6182 -2.1999 -2.1999 -2.1889 -2.1889 -2.1777 -2.1777 -2.1639 -2.1639 -2.1430 -2.1430 -2.1360 -2.1360 3.3056 3.3056 3.6788 3.6788 5.7343 5.7343 5.8092 5.8092 6.1470 6.1470 6.1868 6.1868 6.8262 6.8262 6.8967 6.8967 7.2306 7.2306 7.4939 7.4939 7.7257 7.7257 7.9346 7.9346 10.0476 10.0476 10.3393 10.3393 11.3771 11.3771 11.4779 11.4779 11.5485 11.5485 11.7366 11.7366 13.2297 13.2297 13.2787 13.2787 13.6108 13.6108 13.8065 13.8065 14.9857 14.9857 15.0795 15.0795 k = 0.2143 0.1237 0.3245 ( 4406 PWs) bands (ev): -2.6392 -2.6392 -2.6275 -2.6275 -2.6209 -2.6209 -2.6186 -2.6186 -2.1999 -2.1999 -2.1889 -2.1889 -2.1783 -2.1783 -2.1640 -2.1640 -2.1427 -2.1427 -2.1360 -2.1360 3.3447 3.3447 3.7263 3.7263 5.7489 5.7489 5.8140 5.8140 6.1494 6.1494 6.1909 6.1909 6.8329 6.8329 6.9113 6.9113 7.2347 7.2347 7.4961 7.4961 7.7373 7.7373 7.9379 7.9379 9.9456 9.9456 10.2186 10.2186 11.3692 11.3692 11.4417 11.4417 11.5382 11.5382 11.7089 11.7089 13.2133 13.2133 13.2487 13.2487 13.5977 13.5977 13.8304 13.8304 14.9958 14.9958 15.0974 15.0974 k = 0.2262 0.1306 0.3245 ( 4402 PWs) bands (ev): -2.6391 -2.6391 -2.6276 -2.6276 -2.6212 -2.6212 -2.6188 -2.6188 -2.1999 -2.1999 -2.1890 -2.1890 -2.1788 -2.1788 -2.1641 -2.1641 -2.1425 -2.1425 -2.1360 -2.1360 3.3854 3.3854 3.7754 3.7754 5.7638 5.7638 5.8198 5.8198 6.1510 6.1510 6.1956 6.1956 6.8395 6.8395 6.9270 6.9270 7.2387 7.2387 7.4984 7.4984 7.7489 7.7489 7.9419 7.9419 9.8431 9.8431 10.0986 10.0986 11.3478 11.3478 11.3999 11.3999 11.5458 11.5458 11.6801 11.6801 13.1939 13.1939 13.2236 13.2236 13.5871 13.5871 13.8535 13.8535 14.9953 14.9953 15.1028 15.1028 k = 0.2381 0.1375 0.3245 ( 4394 PWs) bands (ev): -2.6389 -2.6389 -2.6278 -2.6278 -2.6215 -2.6215 -2.6189 -2.6189 -2.1999 -2.1999 -2.1889 -2.1889 -2.1794 -2.1794 -2.1642 -2.1642 -2.1422 -2.1422 -2.1360 -2.1360 3.4274 3.4274 3.8260 3.8260 5.7791 5.7791 5.8267 5.8267 6.1517 6.1517 6.2009 6.2009 6.8460 6.8460 6.9432 6.9432 7.2424 7.2424 7.5008 7.5008 7.7603 7.7603 7.9469 7.9469 9.7399 9.7399 9.9804 9.9804 11.3171 11.3171 11.3558 11.3558 11.5613 11.5613 11.6532 11.6532 13.1717 13.1717 13.2032 13.2032 13.5791 13.5791 13.8754 13.8754 14.9845 14.9845 15.0953 15.0953 k = 0.2500 0.1443 0.3245 ( 4396 PWs) bands (ev): -2.6388 -2.6388 -2.6280 -2.6280 -2.6220 -2.6220 -2.6189 -2.6189 -2.1999 -2.1999 -2.1890 -2.1890 -2.1800 -2.1800 -2.1643 -2.1643 -2.1419 -2.1419 -2.1360 -2.1360 3.4707 3.4707 3.8778 3.8778 5.7945 5.7945 5.8348 5.8348 6.1515 6.1515 6.2069 6.2069 6.8524 6.8524 6.9597 6.9597 7.2460 7.2460 7.5036 7.5036 7.7714 7.7714 7.9527 7.9527 9.6357 9.6357 9.8648 9.8648 11.2807 11.2807 11.3111 11.3111 11.5681 11.5681 11.6394 11.6394 13.1487 13.1487 13.1860 13.1860 13.5736 13.5736 13.8960 13.8960 14.9630 14.9630 15.0767 15.0767 k = 0.2619 0.1512 0.3245 ( 4404 PWs) bands (ev): -2.6387 -2.6387 -2.6282 -2.6282 -2.6225 -2.6225 -2.6190 -2.6190 -2.1999 -2.1999 -2.1891 -2.1891 -2.1807 -2.1807 -2.1644 -2.1644 -2.1417 -2.1417 -2.1361 -2.1361 3.5151 3.5151 3.9306 3.9306 5.8100 5.8100 5.8444 5.8444 6.1503 6.1503 6.2135 6.2135 6.8585 6.8585 6.9760 6.9760 7.2495 7.2495 7.5069 7.5069 7.7818 7.7818 7.9596 7.9596 9.5302 9.5302 9.7528 9.7528 11.2407 11.2407 11.2667 11.2667 11.5488 11.5488 11.6539 11.6539 13.1266 13.1266 13.1705 13.1705 13.5707 13.5707 13.9154 13.9154 14.9308 14.9308 15.0498 15.0498 k = 0.2738 0.1581 0.3245 ( 4412 PWs) bands (ev): -2.6386 -2.6386 -2.6284 -2.6284 -2.6232 -2.6232 -2.6190 -2.6190 -2.2000 -2.2000 -2.1892 -2.1892 -2.1813 -2.1813 -2.1644 -2.1644 -2.1416 -2.1416 -2.1362 -2.1362 3.5605 3.5605 3.9839 3.9839 5.8253 5.8253 5.8558 5.8558 6.1483 6.1483 6.2208 6.2208 6.8642 6.8642 6.9916 6.9916 7.2531 7.2531 7.5110 7.5110 7.7914 7.7914 7.9676 7.9676 9.4230 9.4230 9.6452 9.6452 11.1988 11.1988 11.2227 11.2227 11.5152 11.5152 11.6836 11.6836 13.1057 13.1057 13.1567 13.1567 13.5703 13.5703 13.9333 13.9333 14.8891 14.8891 15.0168 15.0168 k = 0.2857 0.1650 0.3245 ( 4410 PWs) bands (ev): -2.6384 -2.6384 -2.6286 -2.6286 -2.6237 -2.6237 -2.6189 -2.6189 -2.2000 -2.2000 -2.1892 -2.1892 -2.1819 -2.1819 -2.1645 -2.1645 -2.1414 -2.1414 -2.1362 -2.1362 3.6065 3.6065 4.0377 4.0377 5.8400 5.8400 5.8692 5.8692 6.1456 6.1456 6.2288 6.2288 6.8693 6.8693 7.0062 7.0062 7.2569 7.2569 7.5160 7.5160 7.8002 7.8002 7.9766 7.9766 9.3142 9.3142 9.5427 9.5427 11.1558 11.1558 11.1793 11.1793 11.4769 11.4769 11.7186 11.7186 13.0859 13.0859 13.1448 13.1448 13.5723 13.5723 13.9498 13.9498 14.8400 14.8400 14.9786 14.9786 k = 0.2976 0.1718 0.3245 ( 4418 PWs) bands (ev): -2.6383 -2.6383 -2.6289 -2.6289 -2.6243 -2.6243 -2.6189 -2.6189 -2.2000 -2.2000 -2.1893 -2.1893 -2.1825 -2.1825 -2.1645 -2.1645 -2.1412 -2.1412 -2.1362 -2.1362 3.6530 3.6530 4.0914 4.0914 5.8538 5.8538 5.8851 5.8851 6.1424 6.1424 6.2375 6.2375 6.8733 6.8733 7.0194 7.0194 7.2611 7.2611 7.5222 7.5222 7.8079 7.8080 7.9866 7.9866 9.2039 9.2039 9.4456 9.4456 11.1125 11.1125 11.1365 11.1365 11.4366 11.4366 11.7561 11.7561 13.0667 13.0667 13.1353 13.1353 13.5765 13.5765 13.9649 13.9649 14.7860 14.7860 14.9353 14.9353 k = 0.3095 0.1787 0.3245 ( 4422 PWs) bands (ev): -2.6381 -2.6381 -2.6291 -2.6291 -2.6249 -2.6249 -2.6188 -2.6188 -2.2000 -2.2000 -2.1894 -2.1894 -2.1831 -2.1831 -2.1645 -2.1645 -2.1411 -2.1411 -2.1363 -2.1363 3.6997 3.6997 4.1448 4.1448 5.8668 5.8668 5.9034 5.9034 6.1387 6.1387 6.2471 6.2471 6.8761 6.8761 7.0307 7.0307 7.2659 7.2659 7.5299 7.5299 7.8147 7.8147 7.9974 7.9974 9.0926 9.0926 9.3539 9.3539 11.0691 11.0691 11.0948 11.0948 11.3953 11.3953 11.7949 11.7949 13.0479 13.0479 13.1288 13.1288 13.5827 13.5827 13.9784 13.9784 14.7293 14.7293 14.8872 14.8872 k = 0.3214 0.1856 0.3245 ( 4422 PWs) bands (ev): -2.6379 -2.6379 -2.6294 -2.6294 -2.6255 -2.6255 -2.6187 -2.6187 -2.2000 -2.2000 -2.1894 -2.1894 -2.1836 -2.1836 -2.1645 -2.1645 -2.1409 -2.1409 -2.1363 -2.1363 3.7464 3.7464 4.1974 4.1974 5.8789 5.8789 5.9240 5.9240 6.1349 6.1349 6.2577 6.2577 6.8772 6.8772 7.0398 7.0398 7.2714 7.2714 7.5391 7.5391 7.8206 7.8206 8.0089 8.0089 8.9810 8.9810 9.2676 9.2676 11.0260 11.0260 11.0544 11.0544 11.3537 11.3537 11.8344 11.8344 13.0293 13.0293 13.1257 13.1257 13.5907 13.5907 13.9905 13.9905 14.6716 14.6716 14.8347 14.8347 k = 0.3333 0.1925 0.3245 ( 4418 PWs) bands (ev): -2.6377 -2.6377 -2.6296 -2.6296 -2.6260 -2.6260 -2.6187 -2.6187 -2.2000 -2.2000 -2.1894 -2.1894 -2.1841 -2.1841 -2.1645 -2.1645 -2.1408 -2.1408 -2.1363 -2.1363 3.7928 3.7928 4.2488 4.2488 5.8902 5.8902 5.9468 5.9468 6.1312 6.1312 6.2692 6.2692 6.8763 6.8763 7.0463 7.0463 7.2779 7.2779 7.5501 7.5501 7.8255 7.8255 8.0208 8.0208 8.8699 8.8699 9.1863 9.1863 10.9834 10.9834 11.0157 11.0157 11.3124 11.3124 11.8741 11.8741 13.0109 13.0109 13.1261 13.1261 13.6002 13.6002 14.0012 14.0012 14.6143 14.6143 14.7785 14.7785 k = 0.3452 0.1993 0.3245 ( 4414 PWs) bands (ev): -2.6375 -2.6375 -2.6298 -2.6298 -2.6266 -2.6266 -2.6186 -2.6186 -2.2000 -2.2000 -2.1895 -2.1895 -2.1846 -2.1846 -2.1644 -2.1644 -2.1407 -2.1407 -2.1363 -2.1363 3.8386 3.8386 4.2986 4.2986 5.9004 5.9004 5.9713 5.9713 6.1283 6.1283 6.2818 6.2818 6.8732 6.8732 7.0500 7.0500 7.2854 7.2854 7.5628 7.5628 7.8296 7.8296 8.0328 8.0328 8.7601 8.7601 9.1099 9.1099 10.9416 10.9416 10.9790 10.9790 11.2719 11.2719 11.9136 11.9136 12.9928 12.9928 13.1299 13.1299 13.6110 13.6110 14.0105 14.0105 14.5581 14.5581 14.7193 14.7193 k = 0.3571 0.2062 0.3245 ( 4418 PWs) bands (ev): -2.6372 -2.6372 -2.6301 -2.6301 -2.6271 -2.6271 -2.6185 -2.6185 -2.2000 -2.2000 -2.1895 -2.1895 -2.1851 -2.1851 -2.1644 -2.1644 -2.1407 -2.1407 -2.1363 -2.1363 3.8834 3.8834 4.3465 4.3465 5.9097 5.9097 5.9966 5.9966 6.1272 6.1272 6.2957 6.2957 6.8677 6.8677 7.0506 7.0506 7.2939 7.2939 7.5772 7.5772 7.8329 7.8329 8.0447 8.0447 8.6524 8.6524 9.0384 9.0384 10.9008 10.9008 10.9445 10.9445 11.2328 11.2328 11.9525 11.9525 12.9752 12.9752 13.1370 13.1370 13.6227 13.6227 14.0184 14.0184 14.5038 14.5038 14.6580 14.6580 k = 0.3690 0.2131 0.3245 ( 4434 PWs) bands (ev): -2.6371 -2.6371 -2.6304 -2.6304 -2.6276 -2.6276 -2.6186 -2.6186 -2.2001 -2.2001 -2.1896 -2.1896 -2.1856 -2.1856 -2.1644 -2.1644 -2.1407 -2.1407 -2.1364 -2.1364 3.9269 3.9269 4.3919 4.3919 5.9177 5.9177 6.0209 6.0209 6.1300 6.1300 6.3108 6.3108 6.8596 6.8596 7.0480 7.0480 7.3036 7.3036 7.5931 7.5931 7.8355 7.8355 8.0563 8.0563 8.5477 8.5477 8.9716 8.9716 10.8616 10.8616 10.9122 10.9122 11.1954 11.1954 11.9902 11.9902 12.9585 12.9585 13.1471 13.1471 13.6350 13.6350 14.0250 14.0250 14.4519 14.4519 14.5957 14.5957 k = 0.3810 0.2199 0.3245 ( 4424 PWs) bands (ev): -2.6368 -2.6368 -2.6306 -2.6306 -2.6281 -2.6281 -2.6185 -2.6185 -2.2001 -2.2001 -2.1896 -2.1896 -2.1860 -2.1860 -2.1643 -2.1643 -2.1407 -2.1407 -2.1363 -2.1363 3.9687 3.9687 4.4345 4.4345 5.9246 5.9246 6.0406 6.0406 6.1405 6.1405 6.3272 6.3272 6.8492 6.8492 7.0419 7.0419 7.3145 7.3145 7.6103 7.6103 7.8373 7.8373 8.0671 8.0671 8.4470 8.4470 8.9096 8.9096 10.8241 10.8241 10.8822 10.8822 11.1601 11.1601 12.0264 12.0264 12.9430 12.9430 13.1601 13.1601 13.6476 13.6476 14.0304 14.0304 14.4028 14.4028 14.5334 14.5334 k = 0.3929 0.2268 0.3245 ( 4416 PWs) bands (ev): -2.6365 -2.6365 -2.6308 -2.6308 -2.6284 -2.6284 -2.6184 -2.6184 -2.2000 -2.2000 -2.1897 -2.1897 -2.1863 -2.1863 -2.1642 -2.1642 -2.1406 -2.1406 -2.1362 -2.1362 4.0083 4.0083 4.4740 4.4740 5.9301 5.9301 6.0523 6.0523 6.1617 6.1617 6.3451 6.3451 6.8367 6.8367 7.0321 7.0321 7.3264 7.3264 7.6284 7.6284 7.8383 7.8383 8.0765 8.0765 8.3516 8.3516 8.8524 8.8524 10.7888 10.7888 10.8548 10.8548 11.1273 11.1273 12.0606 12.0606 12.9289 12.9289 13.1755 13.1755 13.6603 13.6603 14.0345 14.0345 14.3565 14.3565 14.4722 14.4722 k = 0.4048 0.2337 0.3245 ( 4406 PWs) bands (ev): -2.6363 -2.6363 -2.6309 -2.6309 -2.6288 -2.6288 -2.6184 -2.6184 -2.2000 -2.2000 -2.1897 -2.1897 -2.1866 -2.1866 -2.1641 -2.1641 -2.1406 -2.1406 -2.1362 -2.1362 4.0455 4.0455 4.5100 4.5100 5.9344 5.9344 6.0569 6.0569 6.1925 6.1925 6.3647 6.3647 6.8223 6.8223 7.0182 7.0182 7.3393 7.3393 7.6469 7.6469 7.8384 7.8384 8.0832 8.0832 8.2638 8.2638 8.8002 8.8002 10.7561 10.7561 10.8299 10.8299 11.0972 11.0972 12.0923 12.0923 12.9164 12.9164 13.1929 13.1929 13.6726 13.6726 14.0376 14.0376 14.3132 14.3132 14.4134 14.4134 k = 0.4167 0.2406 0.3245 ( 4400 PWs) bands (ev): -2.6360 -2.6360 -2.6311 -2.6311 -2.6291 -2.6291 -2.6183 -2.6183 -2.2000 -2.2000 -2.1897 -2.1897 -2.1868 -2.1868 -2.1640 -2.1640 -2.1406 -2.1406 -2.1361 -2.1361 4.0796 4.0796 4.5422 4.5422 5.9374 5.9374 6.0575 6.0575 6.2293 6.2293 6.3860 6.3860 6.8065 6.8065 7.0002 7.0002 7.3531 7.3531 7.6654 7.6654 7.8375 7.8375 8.0823 8.0823 8.1895 8.1895 8.7531 8.7531 10.7263 10.7263 10.8078 10.8078 11.0702 11.0702 12.1212 12.1212 12.9056 12.9056 13.2118 13.2118 13.6842 13.6842 14.0395 14.0395 14.2728 14.2728 14.3586 14.3586 k = 0.4286 0.2474 0.3245 ( 4406 PWs) bands (ev): -2.6359 -2.6359 -2.6313 -2.6313 -2.6295 -2.6295 -2.6183 -2.6183 -2.2000 -2.2000 -2.1898 -2.1898 -2.1871 -2.1871 -2.1640 -2.1640 -2.1407 -2.1407 -2.1361 -2.1361 4.1103 4.1103 4.5704 4.5704 5.9394 5.9394 6.0562 6.0562 6.2683 6.2683 6.4097 6.4097 6.7901 6.7901 6.9778 6.9778 7.3675 7.3675 7.6833 7.6833 7.8351 7.8351 8.0572 8.0572 8.1465 8.1465 8.7113 8.7113 10.6996 10.6996 10.7883 10.7883 11.0464 11.0464 12.1469 12.1469 12.8968 12.8968 13.2314 13.2314 13.6950 13.6950 14.0405 14.0405 14.2347 14.2347 14.3096 14.3096 k = 0.4405 0.2543 0.3245 ( 4410 PWs) bands (ev): -2.6357 -2.6357 -2.6315 -2.6315 -2.6298 -2.6298 -2.6183 -2.6183 -2.2000 -2.2000 -2.1899 -2.1899 -2.1873 -2.1873 -2.1640 -2.1640 -2.1407 -2.1407 -2.1361 -2.1361 4.1372 4.1372 4.5945 4.5945 5.9405 5.9405 6.0544 6.0544 6.3065 6.3065 6.4363 6.4363 6.7739 6.7739 6.9512 6.9512 7.3822 7.3822 7.7001 7.7001 7.8307 7.8307 8.0070 8.0070 8.1373 8.1373 8.6751 8.6751 10.6765 10.6765 10.7718 10.7718 11.0261 11.0261 12.1690 12.1690 12.8897 12.8897 13.2511 13.2511 13.7046 13.7046 14.0405 14.0405 14.1985 14.1985 14.2683 14.2683 k = 0.4524 0.2612 0.3245 ( 4406 PWs) bands (ev): -2.6355 -2.6355 -2.6315 -2.6315 -2.6301 -2.6301 -2.6182 -2.6182 -2.2000 -2.2000 -2.1899 -2.1899 -2.1874 -2.1874 -2.1639 -2.1639 -2.1408 -2.1408 -2.1360 -2.1360 4.1598 4.1598 4.6144 4.6144 5.9409 5.9409 6.0525 6.0525 6.3408 6.3408 6.4663 6.4663 6.7589 6.7589 6.9209 6.9209 7.3968 7.3968 7.7151 7.7151 7.8232 7.8232 7.9577 7.9577 8.1385 8.1385 8.6449 8.6449 10.6572 10.6572 10.7581 10.7581 11.0093 11.0093 12.1874 12.1874 12.8843 12.8843 13.2697 13.2697 13.7127 13.7127 14.0398 14.0398 14.1645 14.1645 14.2361 14.2361 k = 0.4643 0.2681 0.3245 ( 4412 PWs) bands (ev): -2.6354 -2.6354 -2.6316 -2.6316 -2.6304 -2.6304 -2.6183 -2.6183 -2.2000 -2.2000 -2.1900 -2.1900 -2.1876 -2.1876 -2.1639 -2.1639 -2.1408 -2.1408 -2.1360 -2.1360 4.1779 4.1779 4.6299 4.6299 5.9408 5.9408 6.0509 6.0509 6.3687 6.3687 6.4988 6.4988 6.7466 6.7466 6.8882 6.8882 7.4103 7.4103 7.7276 7.7276 7.8116 7.8116 7.9203 7.9203 8.1415 8.1415 8.6209 8.6209 10.6419 10.6419 10.7474 10.7474 10.9961 10.9961 12.2017 12.2017 12.8805 12.8805 13.2861 13.2861 13.7192 13.7192 14.0386 14.0386 14.1344 14.1344 14.2127 14.2127 k = 0.4762 0.2749 0.3245 ( 4416 PWs) bands (ev): -2.6353 -2.6353 -2.6316 -2.6316 -2.6306 -2.6306 -2.6182 -2.6182 -2.2001 -2.2001 -2.1900 -2.1900 -2.1877 -2.1877 -2.1639 -2.1639 -2.1409 -2.1409 -2.1360 -2.1360 4.1910 4.1910 4.6410 4.6410 5.9406 5.9406 6.0497 6.0497 6.3889 6.3889 6.5303 6.5303 6.7388 6.7388 6.8556 6.8556 7.4216 7.4216 7.7366 7.7366 7.7974 7.7974 7.8972 7.8972 8.1442 8.1442 8.6034 8.6034 10.6308 10.6308 10.7397 10.7397 10.9866 10.9866 12.2121 12.2121 12.8780 12.8780 13.2991 13.2991 13.7240 13.7240 14.0374 14.0374 14.1107 14.1107 14.1970 14.1970 k = 0.4881 0.2818 0.3245 ( 4412 PWs) bands (ev): -2.6353 -2.6353 -2.6316 -2.6316 -2.6308 -2.6308 -2.6182 -2.6182 -2.2001 -2.2001 -2.1900 -2.1900 -2.1877 -2.1877 -2.1639 -2.1639 -2.1409 -2.1409 -2.1359 -2.1359 4.1989 4.1989 4.6476 4.6476 5.9404 5.9404 6.0489 6.0489 6.4012 6.4012 6.5542 6.5542 6.7365 6.7365 6.8286 6.8286 7.4293 7.4293 7.7415 7.7415 7.7860 7.7860 7.8857 7.8857 8.1460 8.1460 8.5928 8.5928 10.6241 10.6241 10.7351 10.7351 10.9809 10.9809 12.2183 12.2183 12.8766 12.8766 13.3074 13.3074 13.7268 13.7268 14.0365 14.0365 14.0955 14.0955 14.1880 14.1880 k = 0.5000 0.2887 0.3245 ( 4412 PWs) bands (ev): -2.6352 -2.6352 -2.6316 -2.6316 -2.6308 -2.6308 -2.6182 -2.6182 -2.2001 -2.2001 -2.1900 -2.1900 -2.1877 -2.1877 -2.1638 -2.1638 -2.1409 -2.1409 -2.1359 -2.1359 4.2016 4.2016 4.6499 4.6499 5.9403 5.9403 6.0487 6.0487 6.4053 6.4053 6.5633 6.5633 6.7370 6.7370 6.8172 6.8172 7.4321 7.4321 7.7429 7.7429 7.7819 7.7819 7.8823 7.8823 8.1467 8.1467 8.5892 8.5892 10.6219 10.6219 10.7336 10.7336 10.9790 10.9790 12.2203 12.2203 12.8761 12.8761 13.3103 13.3103 13.7278 13.7278 14.0362 14.0362 14.0902 14.0902 14.1851 14.1851 k = 0.5000 0.2887 0.3245 ( 4412 PWs) bands (ev): -2.6352 -2.6352 -2.6316 -2.6316 -2.6308 -2.6308 -2.6182 -2.6182 -2.2001 -2.2001 -2.1900 -2.1900 -2.1877 -2.1877 -2.1638 -2.1638 -2.1409 -2.1409 -2.1359 -2.1359 4.2016 4.2016 4.6499 4.6499 5.9403 5.9403 6.0487 6.0487 6.4053 6.4053 6.5633 6.5633 6.7370 6.7370 6.8172 6.8172 7.4321 7.4321 7.7429 7.7429 7.7819 7.7819 7.8823 7.8823 8.1467 8.1467 8.5892 8.5892 10.6219 10.6219 10.7336 10.7336 10.9790 10.9790 12.2203 12.2203 12.8761 12.8761 13.3103 13.3103 13.7278 13.7278 14.0362 14.0362 14.0902 14.0902 14.1851 14.1851 k = 0.4933 0.3002 0.3245 ( 4420 PWs) bands (ev): -2.6353 -2.6352 -2.6319 -2.6314 -2.6311 -2.6305 -2.6183 -2.6183 -2.2001 -2.2000 -2.1905 -2.1897 -2.1880 -2.1875 -2.1646 -2.1632 -2.1410 -2.1408 -2.1360 -2.1360 4.1992 4.2055 4.6434 4.6579 5.9389 5.9430 6.0480 6.0500 6.4031 6.4054 6.5610 6.5661 6.7171 6.7484 6.8121 6.8337 7.4277 7.4363 7.7376 7.7441 7.7690 7.7991 7.8811 7.8823 8.1469 8.1472 8.5837 8.5934 10.5961 10.6416 10.7204 10.7395 10.9610 11.0015 12.2176 12.2213 12.8739 12.8770 13.3057 13.3107 13.7240 13.7327 14.0290 14.0459 14.0871 14.0932 14.1787 14.1924 k = 0.4867 0.3118 0.3245 ( 4412 PWs) bands (ev): -2.6354 -2.6350 -2.6322 -2.6315 -2.6309 -2.6301 -2.6182 -2.6182 -2.2001 -2.1999 -2.1909 -2.1893 -2.1882 -2.1872 -2.1652 -2.1625 -2.1410 -2.1408 -2.1360 -2.1360 4.1982 4.2108 4.6385 4.6674 5.9387 5.9467 6.0480 6.0520 6.3982 6.4038 6.5593 6.5697 6.6942 6.7510 6.8132 6.8616 7.4231 7.4403 7.7270 7.7432 7.7618 7.8183 7.8794 7.8810 8.1479 8.1484 8.5769 8.5963 10.5660 10.6530 10.7005 10.7379 10.9491 11.0267 12.2133 12.2205 12.8705 12.8765 13.2970 13.3069 13.7211 13.7385 14.0235 14.0586 14.0841 14.0958 14.1729 14.2010 k = 0.4800 0.3233 0.3245 ( 4404 PWs) bands (ev): -2.6355 -2.6349 -2.6325 -2.6318 -2.6306 -2.6297 -2.6183 -2.6182 -2.2001 -2.1998 -2.1913 -2.1890 -2.1883 -2.1868 -2.1659 -2.1619 -2.1410 -2.1406 -2.1360 -2.1359 4.1987 4.2176 4.6350 4.6785 5.9396 5.9516 6.0488 6.0546 6.3905 6.4009 6.5579 6.5741 6.6725 6.7490 6.8169 6.8964 7.4185 7.4439 7.7131 7.7411 7.7582 7.8362 7.8784 7.8796 8.1497 8.1504 8.5688 8.5980 10.5330 10.6521 10.6768 10.7291 10.9447 11.0535 12.2074 12.2180 12.8659 12.8747 13.2847 13.2988 13.7191 13.7452 14.0188 14.0746 14.0815 14.0979 14.1678 14.2115 k = 0.4733 0.3349 0.3245 ( 4394 PWs) bands (ev): -2.6355 -2.6348 -2.6327 -2.6321 -2.6304 -2.6293 -2.6182 -2.6182 -2.2001 -2.1997 -2.1918 -2.1888 -2.1885 -2.1865 -2.1666 -2.1612 -2.1410 -2.1405 -2.1359 -2.1359 4.2005 4.2258 4.6330 4.6911 5.9418 5.9575 6.0503 6.0576 6.3796 6.3970 6.5568 6.5793 6.6537 6.7455 6.8214 6.9348 7.4138 7.4470 7.6983 7.7381 7.7558 7.8456 7.8746 7.8888 8.1522 8.1529 8.5593 8.5984 10.4980 10.6288 10.6599 10.7131 10.9477 11.0807 12.1999 12.2138 12.8601 12.8716 13.2693 13.2871 13.7177 13.7524 14.0137 14.0797 14.0936 14.0993 14.1638 14.2244 k = 0.4667 0.3464 0.3245 ( 4398 PWs) bands (ev): -2.6357 -2.6347 -2.6330 -2.6324 -2.6301 -2.6290 -2.6183 -2.6183 -2.2001 -2.1996 -2.1923 -2.1887 -2.1886 -2.1862 -2.1673 -2.1607 -2.1411 -2.1404 -2.1359 -2.1359 4.2037 4.2354 4.6323 4.7052 5.9451 5.9644 6.0527 6.0612 6.3656 6.3923 6.5557 6.5851 6.6388 6.7420 6.8259 6.9751 7.4090 7.4495 7.6835 7.7345 7.7537 7.8435 7.8698 7.9099 8.1555 8.1560 8.5485 8.5977 10.4618 10.5896 10.6450 10.6903 10.9568 11.1077 12.1911 12.2080 12.8533 12.8671 13.2515 13.2720 13.7165 13.7598 14.0076 14.0789 14.0994 14.1149 14.1626 14.2404 k = 0.4600 0.3580 0.3245 ( 4400 PWs) bands (ev): -2.6358 -2.6346 -2.6333 -2.6328 -2.6299 -2.6287 -2.6183 -2.6183 -2.2002 -2.1995 -2.1929 -2.1889 -2.1885 -2.1858 -2.1679 -2.1601 -2.1412 -2.1404 -2.1359 -2.1359 4.2083 4.2462 4.6328 4.7207 5.9495 5.9720 6.0559 6.0653 6.3491 6.3871 6.5545 6.5915 6.6278 6.7392 6.8300 7.0162 7.4040 7.4513 7.6688 7.7303 7.7516 7.8357 7.8642 7.9371 8.1595 8.1596 8.5364 8.5959 10.4250 10.5428 10.6266 10.6611 10.9698 11.1340 12.1811 12.2006 12.8457 12.8614 13.2318 13.2543 13.7152 13.7667 13.9999 14.0795 14.0979 14.1334 14.1693 14.2599 k = 0.4533 0.3695 0.3245 ( 4400 PWs) bands (ev): -2.6360 -2.6345 -2.6335 -2.6331 -2.6297 -2.6284 -2.6184 -2.6183 -2.2001 -2.1993 -2.1934 -2.1891 -2.1884 -2.1855 -2.1686 -2.1595 -2.1412 -2.1403 -2.1359 -2.1359 4.2140 4.2583 4.6345 4.7376 5.9549 5.9804 6.0598 6.0698 6.3306 6.3814 6.5531 6.5983 6.6204 6.7376 6.8336 7.0575 7.3988 7.4523 7.6544 7.7256 7.7496 7.8252 7.8582 7.9674 8.1636 8.1645 8.5230 8.5931 10.3881 10.4903 10.6053 10.6259 10.9848 11.1592 12.1699 12.1918 12.8371 12.8544 13.2110 13.2347 13.7133 13.7723 13.9908 14.0816 14.0940 14.1432 14.1910 14.2833 k = 0.4467 0.3811 0.3245 ( 4394 PWs) bands (ev): -2.6362 -2.6343 -2.6336 -2.6334 -2.6295 -2.6280 -2.6185 -2.6183 -2.2001 -2.1992 -2.1939 -2.1893 -2.1884 -2.1852 -2.1692 -2.1590 -2.1412 -2.1402 -2.1359 -2.1359 4.2209 4.2715 4.6373 4.7557 5.9613 5.9892 6.0646 6.0747 6.3109 6.3754 6.5516 6.6047 6.6169 6.7376 6.8366 7.0981 7.3931 7.4525 7.6401 7.7204 7.7477 7.8129 7.8522 7.9998 8.1680 8.1704 8.5086 8.5894 10.3514 10.4328 10.5825 10.5854 11.0004 11.1831 12.1579 12.1817 12.8279 12.8464 13.1898 13.2139 13.7101 13.7754 13.9804 14.0858 14.0875 14.1496 14.2227 14.3106 k = 0.4400 0.3926 0.3245 ( 4408 PWs) bands (ev): -2.6365 -2.6343 -2.6338 -2.6337 -2.6294 -2.6278 -2.6186 -2.6184 -2.2001 -2.1991 -2.1944 -2.1896 -2.1884 -2.1849 -2.1699 -2.1586 -2.1414 -2.1402 -2.1359 -2.1359 4.2288 4.2858 4.6410 4.7749 5.9687 5.9983 6.0701 6.0800 6.2907 6.3692 6.5499 6.6085 6.6186 6.7393 6.8390 7.1373 7.3867 7.4517 7.6259 7.7148 7.7461 7.7995 7.8469 8.0332 8.1726 8.1779 8.4930 8.5849 10.3154 10.3712 10.5399 10.5589 11.0156 11.2053 12.1452 12.1704 12.8181 12.8374 13.1686 13.1925 13.7052 13.7750 13.9692 14.0786 14.0928 14.1574 14.2595 14.3415 k = 0.4333 0.4041 0.3245 ( 4408 PWs) bands (ev): -2.6367 -2.6343 -2.6339 -2.6338 -2.6293 -2.6275 -2.6187 -2.6184 -2.2001 -2.1990 -2.1950 -2.1898 -2.1884 -2.1846 -2.1704 -2.1581 -2.1414 -2.1401 -2.1359 -2.1358 4.2377 4.3009 4.6456 4.7951 5.9768 6.0076 6.0764 6.0857 6.2707 6.3627 6.5483 6.6097 6.6250 6.7428 6.8408 7.1745 7.3795 7.4499 7.6117 7.7087 7.7448 7.7853 7.8430 8.0665 8.1774 8.1878 8.4765 8.5798 10.2803 10.3063 10.4903 10.5354 11.0299 11.2257 12.1319 12.1582 12.8079 12.8275 13.1482 13.1713 13.6981 13.7701 13.9575 14.0678 14.1034 14.1680 14.2999 14.3759 k = 0.4267 0.4157 0.3245 ( 4404 PWs) bands (ev): -2.6370 -2.6345 -2.6340 -2.6338 -2.6292 -2.6272 -2.6188 -2.6184 -2.2000 -2.1988 -2.1954 -2.1900 -2.1884 -2.1843 -2.1709 -2.1576 -2.1415 -2.1400 -2.1358 -2.1358 4.2474 4.3168 4.6509 4.8162 5.9857 6.0167 6.0832 6.0918 6.2515 6.3561 6.5468 6.6111 6.6328 6.7481 6.8422 7.2087 7.3710 7.4470 7.5975 7.7018 7.7433 7.7710 7.8419 8.0975 8.1823 8.2018 8.4592 8.5741 10.2388 10.2463 10.4372 10.5123 11.0429 11.2444 12.1183 12.1453 12.7973 12.8169 13.1289 13.1507 13.6885 13.7602 13.9456 14.0556 14.1182 14.1818 14.3432 14.4132 k = 0.4200 0.4272 0.3245 ( 4404 PWs) bands (ev): -2.6373 -2.6347 -2.6340 -2.6336 -2.6291 -2.6269 -2.6189 -2.6185 -2.1999 -2.1986 -2.1959 -2.1902 -2.1885 -2.1841 -2.1715 -2.1573 -2.1415 -2.1400 -2.1358 -2.1357 4.2578 4.3333 4.6567 4.8378 5.9952 6.0255 6.0906 6.0984 6.2335 6.3493 6.5459 6.6130 6.6409 6.7551 6.8432 7.2392 7.3613 7.4430 7.5834 7.6938 7.7411 7.7574 7.8448 8.1236 8.1873 8.2224 8.4412 8.5679 10.1694 10.2136 10.3813 10.4899 11.0544 11.2611 12.1045 12.1319 12.7865 12.8058 13.1112 13.1313 13.6762 13.7454 13.9335 14.0424 14.1372 14.1986 14.3888 14.4530 k = 0.4133 0.4388 0.3245 ( 4400 PWs) bands (ev): -2.6375 -2.6350 -2.6340 -2.6335 -2.6290 -2.6267 -2.6190 -2.6185 -2.1999 -2.1984 -2.1963 -2.1904 -2.1886 -2.1838 -2.1719 -2.1568 -2.1416 -2.1399 -2.1358 -2.1357 4.2687 4.3502 4.6630 4.8597 6.0051 6.0338 6.0985 6.1052 6.2170 6.3425 6.5457 6.6152 6.6491 6.7636 6.8442 7.2650 7.3504 7.4378 7.5693 7.6841 7.7376 7.7455 7.8530 8.1428 8.1922 8.2510 8.4228 8.5613 10.0992 10.1823 10.3234 10.4684 11.0642 11.2760 12.0909 12.1182 12.7757 12.7944 13.0954 13.1134 13.6613 13.7262 13.9214 14.0285 14.1603 14.2184 14.4364 14.4948 k = 0.4067 0.4503 0.3245 ( 4404 PWs) bands (ev): -2.6378 -2.6352 -2.6340 -2.6333 -2.6290 -2.6264 -2.6191 -2.6186 -2.1998 -2.1983 -2.1968 -2.1906 -2.1887 -2.1836 -2.1724 -2.1565 -2.1417 -2.1399 -2.1357 -2.1356 4.2799 4.3673 4.6696 4.8817 6.0152 6.0414 6.1066 6.1122 6.2025 6.3355 6.5466 6.6172 6.6573 6.7734 6.8452 7.2842 7.3399 7.4313 7.5556 7.6723 7.7325 7.7359 7.8671 8.1561 8.1970 8.2862 8.4041 8.5543 10.0290 10.1524 10.2644 10.4479 11.0725 11.2890 12.0775 12.1044 12.7649 12.7829 13.0819 13.0973 13.6442 13.7034 13.9094 14.0143 14.1869 14.2409 14.4855 14.5383 k = 0.4000 0.4619 0.3245 ( 4394 PWs) bands (ev): -2.6380 -2.6355 -2.6340 -2.6331 -2.6289 -2.6262 -2.6192 -2.6185 -2.1997 -2.1981 -2.1972 -2.1907 -2.1888 -2.1834 -2.1727 -2.1562 -2.1417 -2.1399 -2.1357 -2.1355 4.2914 4.3845 4.6763 4.9035 6.0254 6.0484 6.1150 6.1193 6.1902 6.3286 6.5489 6.6186 6.6655 6.7844 6.8466 7.2908 7.3355 7.4235 7.5424 7.6586 7.7260 7.7291 7.8866 8.1656 8.2015 8.3254 8.3855 8.5470 9.9598 10.1238 10.2055 10.4285 11.0793 11.3003 12.0647 12.0908 12.7544 12.7714 13.0708 13.0833 13.6250 13.6778 13.8975 14.0001 14.2162 14.2656 14.5358 14.5828 k = 0.3933 0.4734 0.3245 ( 4394 PWs) bands (ev): -2.6383 -2.6357 -2.6340 -2.6330 -2.6289 -2.6260 -2.6193 -2.6185 -2.1997 -2.1979 -2.1976 -2.1908 -2.1888 -2.1833 -2.1731 -2.1558 -2.1418 -2.1399 -2.1356 -2.1355 4.3028 4.4014 4.6830 4.9248 6.0355 6.0547 6.1234 6.1260 6.1803 6.3217 6.5527 6.6190 6.6736 6.7963 6.8484 7.2810 7.3416 7.4145 7.5299 7.6438 7.7186 7.7248 7.9108 8.1730 8.2056 8.3655 8.3678 8.5394 9.8926 10.0953 10.1488 10.4103 11.0848 11.3100 12.0524 12.0776 12.7443 12.7602 13.0622 13.0714 13.6045 13.6504 13.8861 13.9861 14.2475 14.2919 14.5869 14.6279 k = 0.3867 0.4850 0.3245 ( 4402 PWs) bands (ev): -2.6385 -2.6360 -2.6341 -2.6329 -2.6289 -2.6259 -2.6194 -2.6186 -2.1997 -2.1981 -2.1978 -2.1910 -2.1890 -2.1832 -2.1734 -2.1556 -2.1420 -2.1399 -2.1356 -2.1354 4.3140 4.4177 4.6896 4.9452 6.0451 6.0603 6.1318 6.1321 6.1733 6.3149 6.5581 6.6180 6.6817 6.8087 6.8508 7.2623 7.3512 7.4044 7.5182 7.6287 7.7106 7.7225 7.9384 8.1789 8.2091 8.3489 8.4076 8.5316 9.8286 10.0624 10.1001 10.3933 11.0890 11.3180 12.0411 12.0651 12.7347 12.7496 13.0561 13.0616 13.5831 13.6219 13.8751 13.9727 14.2800 14.3191 14.6383 14.6728 k = 0.3800 0.4965 0.3245 ( 4402 PWs) bands (ev): -2.6387 -2.6362 -2.6340 -2.6327 -2.6289 -2.6258 -2.6195 -2.6186 -2.1996 -2.1984 -2.1977 -2.1911 -2.1891 -2.1831 -2.1736 -2.1554 -2.1420 -2.1399 -2.1356 -2.1354 4.3248 4.4333 4.6960 4.9644 6.0540 6.0653 6.1370 6.1401 6.1693 6.3083 6.5652 6.6154 6.6897 6.8214 6.8538 7.2399 7.3602 7.3935 7.5074 7.6141 7.7026 7.7219 7.9683 8.1839 8.2117 8.3316 8.4478 8.5235 9.7687 10.0181 10.0674 10.3776 11.0921 11.3247 12.0307 12.0535 12.7257 12.7396 13.0525 13.0540 13.5615 13.5933 13.8649 13.9600 14.3127 14.3465 14.6894 14.7170 k = 0.3733 0.5081 0.3245 ( 4398 PWs) bands (ev): -2.6389 -2.6364 -2.6340 -2.6325 -2.6289 -2.6256 -2.6196 -2.6186 -2.1996 -2.1987 -2.1975 -2.1912 -2.1892 -2.1830 -2.1738 -2.1551 -2.1421 -2.1399 -2.1355 -2.1354 4.3350 4.4479 4.7019 4.9820 6.0620 6.0696 6.1406 6.1481 6.1683 6.3021 6.5737 6.6113 6.6974 6.8341 6.8571 7.2159 7.3676 7.3822 7.4976 7.6005 7.6949 7.7225 7.9990 8.1883 8.2132 8.3153 8.4858 8.5153 9.7142 9.9694 10.0450 10.3633 11.0944 11.3300 12.0214 12.0430 12.7176 12.7304 13.0485 13.0511 13.5403 13.5654 13.8556 13.9484 14.3448 14.3733 14.7396 14.7597 k = 0.3667 0.5196 0.3245 ( 4398 PWs) bands (ev): -2.6390 -2.6365 -2.6339 -2.6324 -2.6290 -2.6255 -2.6197 -2.6187 -2.1995 -2.1989 -2.1974 -2.1913 -2.1893 -2.1830 -2.1740 -2.1549 -2.1421 -2.1399 -2.1355 -2.1353 4.3442 4.4610 4.7073 4.9977 6.0687 6.0734 6.1434 6.1558 6.1697 6.2964 6.5833 6.6059 6.7048 6.8464 6.8604 7.1917 7.3710 7.3736 7.4887 7.5885 7.6878 7.7240 8.0295 8.1920 8.2131 8.3003 8.5073 8.5206 9.6662 9.9234 10.0273 10.3506 11.0959 11.3342 12.0134 12.0337 12.7104 12.7223 13.0448 13.0515 13.5203 13.5390 13.8473 13.9380 14.3750 14.3985 14.7879 14.7997 k = 0.3600 0.5312 0.3245 ( 4390 PWs) bands (ev): -2.6391 -2.6366 -2.6339 -2.6322 -2.6290 -2.6254 -2.6197 -2.6187 -2.1995 -2.1991 -2.1973 -2.1914 -2.1894 -2.1829 -2.1741 -2.1547 -2.1421 -2.1399 -2.1355 -2.1353 4.3523 4.4725 4.7119 5.0110 6.0740 6.0764 6.1460 6.1628 6.1721 6.2915 6.5934 6.5997 6.7115 6.8576 6.8633 7.1686 7.3606 7.3782 7.4809 7.5783 7.6816 7.7261 8.0587 8.1953 8.2109 8.2870 8.4996 8.5509 9.6258 9.8829 10.0129 10.3397 11.0968 11.3374 12.0067 12.0259 12.7043 12.7154 13.0427 13.0534 13.5022 13.5152 13.8402 13.9291 14.4024 14.4211 14.8332 14.8359 k = 0.3533 0.5427 0.3245 ( 4390 PWs) bands (ev): -2.6392 -2.6367 -2.6339 -2.6321 -2.6290 -2.6253 -2.6198 -2.6187 -2.1994 -2.1992 -2.1972 -2.1914 -2.1894 -2.1828 -2.1742 -2.1546 -2.1422 -2.1399 -2.1354 -2.1352 4.3591 4.4819 4.7158 5.0219 6.0780 6.0788 6.1490 6.1689 6.1747 6.2875 6.5934 6.6032 6.7174 6.8655 6.8672 7.1482 7.3517 7.3816 7.4743 7.5702 7.6766 7.7285 8.0854 8.1981 8.2063 8.2756 8.4930 8.5757 9.5937 9.8497 10.0016 10.3307 11.0973 11.3396 12.0014 12.0197 12.6994 12.7098 13.0417 13.0562 13.4868 13.4949 13.8343 13.9219 14.4255 14.4402 14.8667 14.8736 k = 0.3467 0.5543 0.3245 ( 4398 PWs) bands (ev): -2.6393 -2.6368 -2.6339 -2.6321 -2.6291 -2.6253 -2.6199 -2.6187 -2.1994 -2.1993 -2.1972 -2.1915 -2.1895 -2.1828 -2.1744 -2.1546 -2.1422 -2.1399 -2.1354 -2.1352 4.3642 4.4890 4.7187 5.0298 6.0805 6.0807 6.1520 6.1736 6.1768 6.2846 6.5879 6.6118 6.7221 6.8668 6.8744 7.1321 7.3450 7.3839 7.4692 7.5643 7.6729 7.7306 8.1087 8.1992 8.2004 8.2667 8.4878 8.5939 9.5706 9.8251 9.9934 10.3239 11.0975 11.3410 11.9977 12.0152 12.6959 12.7057 13.0416 13.0590 13.4750 13.4792 13.8300 13.9164 14.4432 14.4546 14.8905 14.9066 k = 0.3400 0.5658 0.3245 ( 4398 PWs) bands (ev): -2.6394 -2.6369 -2.6339 -2.6320 -2.6291 -2.6253 -2.6199 -2.6187 -2.1995 -2.1994 -2.1972 -2.1915 -2.1896 -2.1828 -2.1744 -2.1545 -2.1423 -2.1399 -2.1354 -2.1352 4.3674 4.4935 4.7206 5.0347 6.0816 6.0821 6.1544 6.1766 6.1781 6.2830 6.5840 6.6179 6.7251 6.8672 6.8786 7.1218 7.3409 7.3852 7.4657 7.5607 7.6707 7.7322 8.1264 8.1910 8.2020 8.2609 8.4846 8.6049 9.5568 9.8100 9.9883 10.3196 11.0975 11.3418 11.9954 12.0125 12.6937 12.7031 13.0418 13.0612 13.4674 13.4691 13.8272 13.9130 14.4544 14.4637 14.9056 14.9286 k = 0.3333 0.5774 0.3245 ( 4386 PWs) bands (ev): -2.6394 -2.6368 -2.6338 -2.6319 -2.6291 -2.6253 -2.6198 -2.6187 -2.1994 -2.1993 -2.1971 -2.1915 -2.1895 -2.1828 -2.1743 -2.1545 -2.1422 -2.1398 -2.1354 -2.1352 4.3685 4.4950 4.7212 5.0364 6.0819 6.0826 6.1554 6.1776 6.1786 6.2825 6.5826 6.6202 6.7262 6.8672 6.8799 7.1184 7.3396 7.3857 7.4645 7.5595 7.6700 7.7328 8.1337 8.1867 8.2026 8.2587 8.4836 8.6085 9.5522 9.8050 9.9866 10.3181 11.0975 11.3421 11.9947 12.0116 12.6929 12.7023 13.0420 13.0621 13.4647 13.4656 13.8263 13.9119 14.4582 14.4668 14.9108 14.9364 k = 0.3333 0.5774 0.3245 ( 4386 PWs) bands (ev): -2.6394 -2.6368 -2.6338 -2.6319 -2.6291 -2.6253 -2.6198 -2.6187 -2.1994 -2.1993 -2.1971 -2.1915 -2.1895 -2.1828 -2.1743 -2.1545 -2.1422 -2.1398 -2.1354 -2.1352 4.3685 4.4950 4.7212 5.0364 6.0819 6.0826 6.1554 6.1776 6.1786 6.2825 6.5826 6.6202 6.7262 6.8672 6.8799 7.1184 7.3396 7.3857 7.4645 7.5595 7.6700 7.7328 8.1337 8.1867 8.2026 8.2587 8.4836 8.6085 9.5522 9.8050 9.9866 10.3181 11.0975 11.3421 11.9947 12.0116 12.6929 12.7023 13.0420 13.0621 13.4647 13.4656 13.8263 13.9119 14.4582 14.4668 14.9108 14.9364 k = 0.3265 0.5656 0.3245 ( 4386 PWs) bands (ev): -2.6393 -2.6368 -2.6338 -2.6320 -2.6290 -2.6253 -2.6198 -2.6187 -2.1994 -2.1993 -2.1971 -2.1915 -2.1895 -2.1828 -2.1743 -2.1545 -2.1422 -2.1399 -2.1354 -2.1352 4.3673 4.4933 4.7205 5.0346 6.0815 6.0822 6.1541 6.1766 6.1781 6.2828 6.5841 6.6174 6.7251 6.8675 6.8790 7.1217 7.3409 7.3852 7.4660 7.5608 7.6706 7.7321 8.1262 8.1915 8.2019 8.2611 8.4846 8.6050 9.5568 9.8101 9.9885 10.3198 11.0975 11.3419 11.9954 12.0126 12.6937 12.7032 13.0417 13.0611 13.4676 13.4694 13.8274 13.9132 14.4542 14.4636 14.9055 14.9284 k = 0.3197 0.5538 0.3245 ( 4398 PWs) bands (ev): -2.6393 -2.6368 -2.6339 -2.6321 -2.6291 -2.6253 -2.6198 -2.6187 -2.1994 -2.1994 -2.1972 -2.1915 -2.1895 -2.1828 -2.1743 -2.1546 -2.1422 -2.1399 -2.1354 -2.1353 4.3634 4.4881 4.7182 5.0292 6.0802 6.0811 6.1498 6.1736 6.1768 6.2835 6.5884 6.6086 6.7223 6.8688 6.8773 7.1307 7.3445 7.3841 7.4709 7.5645 7.6724 7.7297 8.1093 8.1997 8.2015 8.2685 8.4873 8.5951 9.5700 9.8250 9.9941 10.3249 11.0978 11.3413 11.9976 12.0153 12.6961 12.7060 13.0409 13.0581 13.4765 13.4808 13.8307 13.9172 14.4426 14.4540 14.8903 14.9064 k = 0.3129 0.5420 0.3245 ( 4398 PWs) bands (ev): -2.6393 -2.6367 -2.6339 -2.6322 -2.6290 -2.6253 -2.6198 -2.6187 -2.1995 -2.1992 -2.1972 -2.1915 -2.1895 -2.1828 -2.1743 -2.1547 -2.1422 -2.1399 -2.1355 -2.1353 4.3567 4.4792 4.7143 5.0201 6.0776 6.0796 6.1426 6.1691 6.1746 6.2838 6.5935 6.5938 6.7195 6.8718 6.8764 7.1435 7.3498 7.3822 7.4798 7.5707 7.6745 7.7255 8.0896 8.1964 8.2124 8.2808 8.4913 8.5803 9.5911 9.8485 10.0037 10.3338 11.0984 11.3406 12.0012 12.0196 12.7001 12.7107 13.0396 13.0535 13.4913 13.4994 13.8366 13.9241 14.4242 14.4386 14.8666 14.8741 k = 0.3061 0.5302 0.3245 ( 4394 PWs) bands (ev): -2.6391 -2.6366 -2.6339 -2.6323 -2.6289 -2.6253 -2.6198 -2.6187 -2.1995 -2.1990 -2.1973 -2.1914 -2.1894 -2.1828 -2.1742 -2.1548 -2.1422 -2.1399 -2.1354 -2.1352 4.3470 4.4664 4.7086 5.0072 6.0731 6.0777 6.1332 6.1631 6.1718 6.2833 6.5725 6.5972 6.7198 6.8768 6.8771 7.1579 7.3561 7.3798 7.4932 7.5790 7.6760 7.7196 8.0709 8.1922 8.2230 8.2978 8.4961 8.5625 9.6191 9.8792 10.0175 10.3467 11.0994 11.3398 12.0060 12.0254 12.7057 12.7174 13.0379 13.0478 13.5118 13.5246 13.8452 13.9343 14.4003 14.4184 14.8351 14.8364 k = 0.2993 0.5184 0.3245 ( 4390 PWs) bands (ev): -2.6390 -2.6364 -2.6340 -2.6325 -2.6288 -2.6253 -2.6197 -2.6186 -2.1995 -2.1987 -2.1974 -2.1914 -2.1893 -2.1828 -2.1740 -2.1550 -2.1421 -2.1398 -2.1355 -2.1353 4.3343 4.4498 4.7009 4.9904 6.0661 6.0754 6.1226 6.1562 6.1685 6.2816 6.5464 6.5948 6.7265 6.8798 6.8837 7.1723 7.3628 7.3770 7.5115 7.5893 7.6756 7.7121 8.0560 8.1872 8.2335 8.3190 8.5016 8.5438 9.6530 9.9158 10.0356 10.3636 11.1010 11.3391 12.0117 12.0323 12.7130 12.7260 13.0362 13.0416 13.5373 13.5553 13.8569 13.9479 14.3725 14.3944 14.7917 14.8012 k = 0.2925 0.5067 0.3245 ( 4392 PWs) bands (ev): -2.6388 -2.6363 -2.6341 -2.6327 -2.6287 -2.6253 -2.6197 -2.6186 -2.1996 -2.1985 -2.1975 -2.1913 -2.1892 -2.1828 -2.1739 -2.1551 -2.1420 -2.1398 -2.1355 -2.1353 4.3184 4.4293 4.6911 4.9698 6.0556 6.0727 6.1124 6.1484 6.1650 6.2785 6.5163 6.5854 6.7406 6.8844 6.8926 7.1853 7.3691 7.3737 7.5344 7.6011 7.6719 7.7033 8.0470 8.1816 8.2447 8.3437 8.5077 8.5266 9.6919 9.9566 10.0583 10.3848 11.1033 11.3387 12.0182 12.0400 12.7219 12.7365 13.0350 13.0355 13.5670 13.5902 13.8719 13.9650 14.3426 14.3680 14.7457 14.7624 k = 0.2857 0.4949 0.3245 ( 4396 PWs) bands (ev): -2.6386 -2.6361 -2.6342 -2.6329 -2.6285 -2.6253 -2.6196 -2.6186 -2.1996 -2.1981 -2.1976 -2.1912 -2.1892 -2.1828 -2.1737 -2.1554 -2.1420 -2.1397 -2.1356 -2.1354 4.2994 4.4050 4.6789 4.9454 6.0416 6.0693 6.1030 6.1400 6.1616 6.2738 6.4833 6.5702 6.7599 6.8906 6.9035 7.1962 7.3700 7.3744 7.5613 7.6139 7.6640 7.6938 8.0450 8.1754 8.2576 8.3704 8.5141 8.5145 9.7350 10.0002 10.0859 10.4102 11.1065 11.3387 12.0251 12.0480 12.7325 12.7489 13.0303 13.0346 13.5999 13.6279 13.8904 13.9860 14.3127 14.3407 14.6982 14.7212 k = 0.2789 0.4831 0.3245 ( 4404 PWs) bands (ev): -2.6384 -2.6360 -2.6343 -2.6331 -2.6284 -2.6253 -2.6196 -2.6186 -2.1997 -2.1978 -2.1977 -2.1911 -2.1891 -2.1828 -2.1736 -2.1557 -2.1419 -2.1397 -2.1357 -2.1355 4.2772 4.3772 4.6643 4.9171 6.0250 6.0651 6.0943 6.1314 6.1584 6.2678 6.4487 6.5513 6.7815 6.8980 6.9167 7.2049 7.3660 7.3782 7.5907 7.6273 7.6521 7.6839 8.0497 8.1686 8.2738 8.3957 8.5111 8.5226 9.7814 10.0453 10.1188 10.4398 11.1108 11.3393 12.0321 12.0560 12.7449 12.7631 13.0261 13.0353 13.6344 13.6663 13.9126 14.0108 14.2852 14.3145 14.6503 14.6784 k = 0.2721 0.4713 0.3245 ( 4398 PWs) bands (ev): -2.6381 -2.6357 -2.6344 -2.6332 -2.6283 -2.6252 -2.6196 -2.6186 -2.1997 -2.1979 -2.1972 -2.1911 -2.1890 -2.1826 -2.1733 -2.1560 -2.1418 -2.1395 -2.1357 -2.1356 4.2519 4.3459 4.6471 4.8850 6.0068 6.0595 6.0855 6.1228 6.1559 6.2604 6.4135 6.5303 6.8027 6.9061 6.9322 7.2114 7.3616 7.3798 7.6161 7.6407 7.6417 7.6742 8.0590 8.1612 8.2957 8.4152 8.5237 8.5323 9.8305 10.0907 10.1573 10.4734 11.1164 11.3407 12.0388 12.0634 12.7590 12.7790 13.0234 13.0376 13.6687 13.7029 13.9385 14.0392 14.2633 14.2916 14.6027 14.6348 k = 0.2653 0.4595 0.3245 ( 4402 PWs) bands (ev): -2.6378 -2.6356 -2.6345 -2.6332 -2.6281 -2.6251 -2.6196 -2.6186 -2.1997 -2.1980 -2.1967 -2.1910 -2.1890 -2.1826 -2.1731 -2.1563 -2.1417 -2.1395 -2.1358 -2.1358 4.2237 4.3114 4.6271 4.8492 5.9881 6.0521 6.0761 6.1145 6.1540 6.2516 6.3791 6.5083 6.8218 6.9145 6.9501 7.2157 7.3569 7.3787 7.6087 7.6536 7.6617 7.6653 8.0699 8.1531 8.3255 8.4283 8.5445 8.5536 9.8816 10.1359 10.2009 10.5109 11.1234 11.3432 12.0447 12.0696 12.7750 12.7966 13.0222 13.0416 13.7001 13.7340 13.9682 14.0709 14.2508 14.2748 14.5565 14.5912 k = 0.2585 0.4477 0.3245 ( 4400 PWs) bands (ev): -2.6375 -2.6356 -2.6347 -2.6331 -2.6279 -2.6250 -2.6195 -2.6186 -2.1998 -2.1981 -2.1962 -2.1909 -2.1889 -2.1825 -2.1728 -2.1566 -2.1417 -2.1394 -2.1359 -2.1359 4.1927 4.2739 4.6041 4.8099 5.9695 6.0427 6.0658 6.1064 6.1529 6.2416 6.3466 6.4860 6.8379 6.9226 6.9698 7.2182 7.3520 7.3746 7.5881 7.6568 7.6662 7.6924 8.0795 8.1445 8.3653 8.4408 8.5599 8.5961 9.9343 10.1813 10.2487 10.5518 11.1321 11.3468 12.0496 12.0742 12.7930 12.8158 13.0227 13.0474 13.7257 13.7554 14.0019 14.1046 14.2518 14.2675 14.5134 14.5483 k = 0.2517 0.4360 0.3245 ( 4400 PWs) bands (ev): -2.6371 -2.6358 -2.6348 -2.6329 -2.6278 -2.6249 -2.6195 -2.6186 -2.1998 -2.1982 -2.1955 -2.1908 -2.1889 -2.1823 -2.1725 -2.1569 -2.1416 -2.1392 -2.1360 -2.1360 4.1590 4.2339 4.5782 4.7673 5.9517 6.0312 6.0544 6.0980 6.1524 6.2301 6.3176 6.4639 6.8508 6.9302 6.9903 7.2187 7.3468 7.3674 7.5659 7.6497 7.6772 7.7227 8.0860 8.1350 8.4156 8.4582 8.5795 8.6467 9.9882 10.2275 10.2995 10.5961 11.1427 11.3518 12.0530 12.0766 12.8131 12.8366 13.0248 13.0554 13.7422 13.7636 14.0399 14.1379 14.2691 14.2731 14.4761 14.5075 k = 0.2449 0.4242 0.3245 ( 4396 PWs) bands (ev): -2.6368 -2.6360 -2.6350 -2.6325 -2.6276 -2.6247 -2.6194 -2.6186 -2.1999 -2.1984 -2.1949 -2.1907 -2.1888 -2.1822 -2.1723 -2.1573 -2.1414 -2.1391 -2.1361 -2.1360 4.1230 4.1915 4.5493 4.7216 5.9349 6.0179 6.0420 6.0886 6.1525 6.2175 6.2932 6.4423 6.8609 6.9367 7.0106 7.2173 7.3413 7.3572 7.5441 7.6431 7.6871 7.7506 8.0888 8.1249 8.4760 8.4833 8.6041 8.7033 10.0428 10.2750 10.3521 10.6431 11.1555 11.3584 12.0545 12.0765 12.8352 12.8589 13.0287 13.0654 13.7476 13.7581 14.0817 14.1656 14.2936 14.3021 14.4499 14.4707 k = 0.2381 0.4124 0.3245 ( 4388 PWs) bands (ev): -2.6364 -2.6362 -2.6350 -2.6320 -2.6274 -2.6245 -2.6194 -2.6186 -2.1999 -2.1985 -2.1941 -2.1906 -2.1887 -2.1819 -2.1719 -2.1576 -2.1414 -2.1390 -2.1362 -2.1360 4.0847 4.1471 4.5173 4.6730 5.9192 6.0031 6.0287 6.0770 6.1531 6.2046 6.2738 6.4214 6.8685 6.9420 7.0297 7.2138 7.3352 7.3447 7.5238 7.6368 7.6959 7.7755 8.0882 8.1140 8.5175 8.5451 8.6350 8.7645 10.0979 10.3240 10.4059 10.6924 11.1706 11.3667 12.0538 12.0735 12.8593 12.8825 13.0342 13.0775 13.7411 13.7418 14.1245 14.1800 14.3286 14.3456 14.4434 14.4436 k = 0.2313 0.4006 0.3245 ( 4392 PWs) bands (ev): -2.6365 -2.6362 -2.6351 -2.6315 -2.6273 -2.6244 -2.6194 -2.6186 -2.1999 -2.1986 -2.1934 -2.1905 -2.1886 -2.1818 -2.1716 -2.1580 -2.1413 -2.1389 -2.1364 -2.1361 4.0445 4.1009 4.4824 4.6220 5.9048 5.9872 6.0146 6.0626 6.1540 6.1930 6.2588 6.4013 6.8739 6.9459 7.0467 7.2081 7.3286 7.3304 7.5060 7.6304 7.7035 7.7967 8.0847 8.1023 8.5609 8.6204 8.6737 8.8299 10.1533 10.3745 10.4605 10.7435 11.1883 11.3768 12.0508 12.0675 12.8853 12.9076 13.0414 13.0918 13.7161 13.7265 14.1622 14.1746 14.3759 14.3812 14.4478 14.4631 k = 0.2245 0.3888 0.3245 ( 4400 PWs) bands (ev): -2.6368 -2.6361 -2.6350 -2.6310 -2.6272 -2.6242 -2.6194 -2.6187 -2.2000 -2.1987 -2.1927 -2.1905 -2.1887 -2.1816 -2.1713 -2.1584 -2.1413 -2.1388 -2.1366 -2.1362 4.0026 4.0534 4.4445 4.5688 5.8916 5.9706 5.9997 6.0451 6.1550 6.1840 6.2469 6.3821 6.8774 6.9481 7.0610 7.1999 7.3152 7.3212 7.4913 7.6237 7.7103 7.8139 8.0790 8.0900 8.6135 8.6939 8.7275 8.8990 10.2088 10.4263 10.5156 10.7958 11.2088 11.3887 12.0451 12.0583 12.9129 12.9338 13.0501 13.1082 13.6863 13.7043 14.1521 14.1834 14.3991 14.4329 14.5008 14.5062 k = 0.2177 0.3770 0.3245 ( 4404 PWs) bands (ev): -2.6371 -2.6362 -2.6347 -2.6304 -2.6271 -2.6240 -2.6194 -2.6188 -2.2000 -2.1989 -2.1919 -2.1904 -2.1887 -2.1814 -2.1710 -2.1588 -2.1413 -2.1388 -2.1367 -2.1362 3.9592 4.0048 4.4040 4.5137 5.8797 5.9538 5.9843 6.0253 6.1562 6.1779 6.2371 6.3639 6.8792 6.9486 7.0720 7.1892 7.3000 7.3132 7.4800 7.6164 7.7163 7.8271 8.0715 8.0771 8.6746 8.7537 8.8073 8.9716 10.2643 10.4792 10.5712 10.8487 11.2324 11.4027 12.0368 12.0460 12.9418 12.9612 13.0605 13.1265 13.6540 13.6776 14.1196 14.1806 14.4340 14.4972 14.5647 14.5726 k = 0.2109 0.3653 0.3245 ( 4410 PWs) bands (ev): -2.6374 -2.6363 -2.6343 -2.6298 -2.6270 -2.6238 -2.6194 -2.6188 -2.2000 -2.1990 -2.1912 -2.1903 -2.1887 -2.1811 -2.1707 -2.1592 -2.1414 -2.1388 -2.1368 -2.1362 3.9147 3.9554 4.3609 4.4571 5.8689 5.9370 5.9684 6.0041 6.1575 6.1742 6.2286 6.3467 6.8794 6.9475 7.0793 7.1758 7.2857 7.3051 7.4721 7.6086 7.7216 7.8363 8.0627 8.0638 8.7435 8.8122 8.9000 9.0473 10.3198 10.5326 10.6272 10.9015 11.2592 11.4186 12.0260 12.0309 12.9715 12.9896 13.0726 13.1467 13.6209 13.6482 14.0823 14.1601 14.4891 14.5668 14.6325 14.6514 k = 0.2041 0.3535 0.3245 ( 4418 PWs) bands (ev): -2.6377 -2.6365 -2.6339 -2.6292 -2.6268 -2.6236 -2.6193 -2.6189 -2.2001 -2.1991 -2.1906 -2.1900 -2.1886 -2.1809 -2.1704 -2.1596 -2.1414 -2.1389 -2.1370 -2.1363 3.8693 3.9054 4.3156 4.3994 5.8592 5.9206 5.9521 5.9825 6.1587 6.1722 6.2212 6.3304 6.8783 6.9448 7.0823 7.1599 7.2730 7.2971 7.4670 7.6005 7.7263 7.8418 8.0502 8.0531 8.8193 8.8753 8.9985 9.1261 10.3751 10.5863 10.6836 10.9536 11.2894 11.4364 12.0126 12.0130 13.0015 13.0189 13.0865 13.1686 13.5883 13.6176 14.0429 14.1310 14.5561 14.6395 14.7060 14.7336 k = 0.1973 0.3417 0.3245 ( 4414 PWs) bands (ev): -2.6380 -2.6367 -2.6335 -2.6285 -2.6267 -2.6233 -2.6193 -2.6189 -2.2001 -2.1992 -2.1903 -2.1893 -2.1886 -2.1806 -2.1700 -2.1599 -2.1415 -2.1389 -2.1370 -2.1363 3.8233 3.8552 4.2683 4.3409 5.8504 5.9048 5.9355 5.9608 6.1599 6.1716 6.2144 6.3151 6.8760 6.9406 7.0808 7.1417 7.2627 7.2896 7.4643 7.5921 7.7304 7.8440 8.0364 8.0429 8.9011 8.9438 9.1012 9.2078 10.4302 10.6400 10.7404 11.0043 11.3230 11.4561 11.9927 11.9969 13.0312 13.0491 13.1024 13.1919 13.5570 13.5870 14.0031 14.0985 14.6297 14.7135 14.7823 14.8170 k = 0.1905 0.3299 0.3245 ( 4410 PWs) bands (ev): -2.6382 -2.6368 -2.6330 -2.6278 -2.6264 -2.6230 -2.6193 -2.6190 -2.2001 -2.1993 -2.1902 -2.1886 -2.1884 -2.1803 -2.1696 -2.1603 -2.1415 -2.1390 -2.1370 -2.1362 3.7768 3.8049 4.2194 4.2819 5.8425 5.8898 5.9188 5.9395 6.1609 6.1717 6.2081 6.3007 6.8726 6.9352 7.0749 7.1217 7.2550 7.2829 7.4634 7.5838 7.7339 7.8432 8.0227 8.0325 8.9881 9.0173 9.2072 9.2923 10.4851 10.6932 10.7975 11.0534 11.3597 11.4775 11.9703 11.9792 13.0596 13.0799 13.1206 13.2164 13.5280 13.5573 13.9635 14.0649 14.7062 14.7866 14.8592 14.8996 k = 0.1837 0.3181 0.3245 ( 4414 PWs) bands (ev): -2.6384 -2.6370 -2.6326 -2.6274 -2.6261 -2.6227 -2.6193 -2.6191 -2.2001 -2.1994 -2.1901 -2.1886 -2.1875 -2.1800 -2.1692 -2.1607 -2.1416 -2.1392 -2.1370 -2.1362 3.7302 3.7547 4.1692 4.2227 5.8352 5.8758 5.9022 5.9188 6.1617 6.1724 6.2021 6.2872 6.8684 6.9286 7.0651 7.1003 7.2496 7.2768 7.4637 7.5755 7.7367 7.8398 8.0092 8.0220 9.0795 9.0956 9.3162 9.3796 10.5396 10.7456 10.8549 11.1006 11.3991 11.5005 11.9463 11.9598 13.0861 13.1114 13.1414 13.2418 13.5018 13.5289 13.9246 14.0314 14.7833 14.8566 14.9343 14.9789 k = 0.1769 0.3063 0.3245 ( 4414 PWs) bands (ev): -2.6386 -2.6372 -2.6322 -2.6270 -2.6256 -2.6224 -2.6193 -2.6193 -2.2001 -2.1995 -2.1900 -2.1886 -2.1866 -2.1796 -2.1688 -2.1609 -2.1418 -2.1395 -2.1369 -2.1362 3.6836 3.7050 4.1180 4.1636 5.8283 5.8628 5.8858 5.8988 6.1623 6.1734 6.1965 6.2744 6.8636 6.9210 7.0520 7.0781 7.2461 7.2713 7.4649 7.5674 7.7387 7.8341 7.9960 8.0117 9.1745 9.1780 9.4277 9.4696 10.5939 10.7972 10.9122 11.1457 11.4407 11.5247 11.9210 11.9392 13.1103 13.1433 13.1646 13.2677 13.4791 13.5027 13.8868 13.9987 14.8583 14.9210 15.0053 15.0523 k = 0.1701 0.2946 0.3245 ( 4422 PWs) bands (ev): -2.6388 -2.6375 -2.6317 -2.6269 -2.6250 -2.6221 -2.6194 -2.6193 -2.2001 -2.1996 -2.1900 -2.1887 -2.1858 -2.1794 -2.1684 -2.1613 -2.1420 -2.1398 -2.1368 -2.1361 3.6372 3.6558 4.0663 4.1049 5.8216 5.8506 5.8699 5.8797 6.1626 6.1745 6.1911 6.2625 6.8583 6.9127 7.0366 7.0555 7.2438 7.2664 7.4666 7.5597 7.7398 7.8265 7.9835 8.0019 9.2641 9.2724 9.5414 9.5623 10.6476 10.8475 10.9693 11.1890 11.4834 11.5500 11.8949 11.9178 13.1324 13.1756 13.1894 13.2939 13.4604 13.4790 13.8503 13.9671 14.9286 14.9772 15.0695 15.1169 k = 0.1633 0.2828 0.3245 ( 4418 PWs) bands (ev): -2.6390 -2.6377 -2.6313 -2.6267 -2.6243 -2.6218 -2.6195 -2.6193 -2.2000 -2.1996 -2.1899 -2.1886 -2.1849 -2.1790 -2.1680 -2.1615 -2.1421 -2.1401 -2.1367 -2.1360 3.5913 3.6074 4.0143 4.0468 5.8146 5.8388 5.8550 5.8619 6.1626 6.1755 6.1859 6.2514 6.8527 6.9038 7.0197 7.0329 7.2422 7.2618 7.4686 7.5523 7.7398 7.8173 7.9719 7.9925 9.3535 9.3726 9.6571 9.6577 10.7008 10.8965 11.0258 11.2306 11.5266 11.5760 11.8686 11.8961 13.1530 13.2079 13.2148 13.3200 13.4463 13.4582 13.8152 13.9369 14.9912 15.0227 15.1241 15.1697 k = 0.1565 0.2710 0.3245 ( 4414 PWs) bands (ev): -2.6391 -2.6378 -2.6308 -2.6266 -2.6235 -2.6215 -2.6196 -2.6192 -2.2000 -2.1997 -2.1898 -2.1886 -2.1840 -2.1787 -2.1676 -2.1617 -2.1423 -2.1403 -2.1367 -2.1360 3.5461 3.5598 3.9623 3.9896 5.8067 5.8265 5.8417 5.8463 6.1622 6.1761 6.1812 6.2409 6.8470 6.8945 7.0017 7.0106 7.2409 7.2575 7.4706 7.5453 7.7387 7.8068 7.9613 7.9838 9.4457 9.4744 9.7558 9.7743 10.7532 10.9438 11.0815 11.2706 11.5691 11.6023 11.8424 11.8749 13.1725 13.2397 13.2400 13.3458 13.4373 13.4410 13.7818 13.9083 15.0430 15.0558 15.1665 15.2084 k = 0.1497 0.2592 0.3245 ( 4414 PWs) bands (ev): -2.6393 -2.6380 -2.6304 -2.6265 -2.6228 -2.6212 -2.6197 -2.6191 -2.2000 -2.1997 -2.1897 -2.1886 -2.1831 -2.1783 -2.1672 -2.1619 -2.1425 -2.1407 -2.1366 -2.1359 3.5016 3.5134 3.9107 3.9334 5.7970 5.8126 5.8308 5.8340 6.1613 6.1740 6.1790 6.2312 6.8414 6.8849 6.9833 6.9889 7.2395 7.2533 7.4726 7.5387 7.7364 7.7954 7.9520 7.9757 9.5403 9.5772 9.8566 9.8929 10.8047 10.9891 11.1360 11.3093 11.6102 11.6286 11.8170 11.8548 13.1913 13.2634 13.2715 13.3707 13.4280 13.4338 13.7502 13.8813 15.0761 15.0813 15.1946 15.2320 k = 0.1429 0.2474 0.3245 ( 4418 PWs) bands (ev): -2.6394 -2.6382 -2.6300 -2.6265 -2.6220 -2.6210 -2.6199 -2.6189 -2.2000 -2.1998 -2.1896 -2.1886 -2.1822 -2.1779 -2.1669 -2.1622 -2.1427 -2.1410 -2.1365 -2.1359 3.4582 3.4682 3.8597 3.8786 5.7852 5.7972 5.8228 5.8248 6.1601 6.1695 6.1791 6.2222 6.8360 6.8752 6.9647 6.9681 7.2379 7.2491 7.4744 7.5325 7.7328 7.7832 7.9439 7.9683 9.6369 9.6806 9.9599 10.0126 10.8548 11.0320 11.1890 11.3467 11.6491 11.6544 11.7931 11.8367 13.2093 13.2854 13.3015 13.3926 13.4219 13.4364 13.7206 13.8560 15.0841 15.1043 15.2073 15.2405 k = 0.1361 0.2357 0.3245 ( 4418 PWs) bands (ev): -2.6395 -2.6384 -2.6296 -2.6264 -2.6213 -2.6208 -2.6200 -2.6187 -2.2000 -2.1998 -2.1896 -2.1886 -2.1813 -2.1775 -2.1664 -2.1623 -2.1429 -2.1413 -2.1365 -2.1359 3.4158 3.4243 3.8097 3.8252 5.7720 5.7813 5.8169 5.8177 6.1583 6.1646 6.1794 6.2139 6.8308 6.8655 6.9464 6.9485 7.2358 7.2449 7.4760 7.5266 7.7280 7.7705 7.9373 7.9617 9.7351 9.7841 10.0657 10.1330 10.9031 11.0719 11.2401 11.3827 11.6790 11.6851 11.7714 11.8216 13.2266 13.3055 13.3294 13.4017 13.4327 13.4452 13.6933 13.8323 15.0812 15.1116 15.2044 15.2353 k = 0.1293 0.2239 0.3245 ( 4422 PWs) bands (ev): -2.6396 -2.6385 -2.6293 -2.6264 -2.6208 -2.6206 -2.6202 -2.6184 -2.1999 -2.1999 -2.1895 -2.1886 -2.1805 -2.1772 -2.1661 -2.1625 -2.1432 -2.1417 -2.1364 -2.1358 3.3748 3.3818 3.7607 3.7735 5.7580 5.7654 5.8120 5.8124 6.1560 6.1597 6.1793 6.2063 6.8259 6.8557 6.9286 6.9301 7.2334 7.2406 7.4772 7.5210 7.7221 7.7575 7.9321 7.9558 9.8347 9.8873 10.1738 10.2540 10.9492 11.1084 11.2892 11.4174 11.7017 11.7169 11.7535 11.8110 13.2430 13.3238 13.3542 13.4028 13.4558 13.4599 13.6690 13.8102 15.0690 15.1040 15.1872 15.2183 k = 0.1224 0.2121 0.3245 ( 4410 PWs) bands (ev): -2.6396 -2.6386 -2.6289 -2.6263 -2.6207 -2.6204 -2.6197 -2.6180 -2.1999 -2.1999 -2.1894 -2.1885 -2.1796 -2.1767 -2.1657 -2.1626 -2.1434 -2.1421 -2.1363 -2.1358 3.3351 3.3410 3.7132 3.7236 5.7440 5.7498 5.8073 5.8088 6.1531 6.1547 6.1790 6.1994 6.8212 6.8459 6.9117 6.9134 7.2305 7.2362 7.4782 7.5157 7.7153 7.7446 7.9281 7.9505 9.9351 9.9899 10.2837 10.3751 10.9923 11.1408 11.3359 11.4505 11.7215 11.7315 11.7532 11.8064 13.2581 13.3413 13.3752 13.4060 13.4799 13.4806 13.6485 13.7896 15.0489 15.0825 15.1579 15.1918 k = 0.1156 0.2003 0.3245 ( 4408 PWs) bands (ev): -2.6397 -2.6388 -2.6286 -2.6262 -2.6207 -2.6205 -2.6190 -2.6176 -2.1998 -2.1998 -2.1893 -2.1885 -2.1788 -2.1763 -2.1653 -2.1627 -2.1436 -2.1424 -2.1362 -2.1357 3.2970 3.3019 3.6672 3.6756 5.7300 5.7348 5.8035 5.8058 6.1497 6.1498 6.1783 6.1933 6.8165 6.8359 6.8959 6.8985 7.2272 7.2316 7.4787 7.5105 7.7078 7.7319 7.9252 7.9459 10.0362 10.0917 10.3950 10.4958 11.0319 11.1685 11.3801 11.4820 11.7235 11.7374 11.7765 11.8095 13.2712 13.3597 13.3914 13.4133 13.5036 13.5042 13.6339 13.7703 15.0212 15.0484 15.1197 15.1589 k = 0.1088 0.1885 0.3245 ( 4402 PWs) bands (ev): -2.6397 -2.6389 -2.6282 -2.6261 -2.6208 -2.6206 -2.6184 -2.6171 -2.1998 -2.1998 -2.1892 -2.1885 -2.1780 -2.1759 -2.1650 -2.1627 -2.1438 -2.1427 -2.1362 -2.1357 3.2605 3.2645 3.6230 3.6297 5.7165 5.7203 5.8004 5.8033 6.1449 6.1459 6.1771 6.1878 6.8116 6.8257 6.8816 6.8857 7.2235 7.2268 7.4787 7.5055 7.6999 7.7195 7.9233 7.9418 10.1376 10.1925 10.5070 10.6157 11.0671 11.1914 11.4214 11.5116 11.7187 11.7498 11.7988 11.8202 13.2817 13.3802 13.4027 13.4253 13.5204 13.5315 13.6291 13.7519 14.9850 15.0028 15.0769 15.1222 k = 0.1020 0.1767 0.3245 ( 4398 PWs) bands (ev): -2.6397 -2.6390 -2.6278 -2.6261 -2.6208 -2.6207 -2.6177 -2.6168 -2.1998 -2.1998 -2.1890 -2.1884 -2.1773 -2.1756 -2.1646 -2.1627 -2.1440 -2.1430 -2.1361 -2.1358 3.2258 3.2290 3.5808 3.5861 5.7034 5.7065 5.7979 5.8011 6.1400 6.1416 6.1757 6.1829 6.8061 6.8152 6.8695 6.8751 7.2193 7.2218 7.4784 7.5006 7.6919 7.7077 7.9221 7.9384 10.2388 10.2920 10.6187 10.7339 11.0976 11.2098 11.4598 11.5393 11.7200 11.7608 11.8182 11.8366 13.2893 13.4039 13.4099 13.4407 13.5274 13.5609 13.6375 13.7345 14.9388 14.9472 15.0338 15.0836 k = 0.0952 0.1650 0.3245 ( 4406 PWs) bands (ev): -2.6398 -2.6392 -2.6276 -2.6260 -2.6210 -2.6209 -2.6172 -2.6164 -2.1998 -2.1998 -2.1890 -2.1884 -2.1767 -2.1752 -2.1643 -2.1627 -2.1442 -2.1433 -2.1362 -2.1358 3.1929 3.1954 3.5406 3.5448 5.6909 5.6934 5.7960 5.7992 6.1352 6.1370 6.1738 6.1785 6.7996 6.8044 6.8598 6.8667 7.2148 7.2167 7.4776 7.4957 7.6839 7.6965 7.9214 7.9354 10.3396 10.3902 10.7286 10.8489 11.1238 11.2247 11.4951 11.5649 11.7278 11.7722 11.8348 11.8567 13.2944 13.4135 13.4308 13.4582 13.5271 13.5914 13.6568 13.7178 14.8819 14.8834 14.9933 15.0441 k = 0.0884 0.1532 0.3245 ( 4406 PWs) bands (ev): -2.6398 -2.6393 -2.6273 -2.6260 -2.6211 -2.6211 -2.6166 -2.6159 -2.1998 -2.1998 -2.1889 -2.1884 -2.1761 -2.1749 -2.1640 -2.1627 -2.1444 -2.1437 -2.1362 -2.1359 3.1619 3.1639 3.5026 3.5059 5.6790 5.6810 5.7944 5.7976 6.1305 6.1323 6.1717 6.1745 6.7919 6.7937 6.8529 6.8603 7.2101 7.2114 7.4763 7.4910 7.6762 7.6861 7.9212 7.9329 10.4394 10.4867 10.8342 10.9570 11.1486 11.2385 11.5272 11.5881 11.7423 11.7841 11.8494 11.8796 13.2975 13.4136 13.4604 13.4757 13.5265 13.6218 13.6816 13.7021 14.8134 14.8163 14.9553 15.0039 k = 0.0816 0.1414 0.3245 ( 4410 PWs) bands (ev): -2.6398 -2.6394 -2.6270 -2.6259 -2.6213 -2.6212 -2.6161 -2.6156 -2.1998 -2.1998 -2.1888 -2.1884 -2.1755 -2.1745 -2.1637 -2.1627 -2.1446 -2.1440 -2.1362 -2.1360 3.1329 3.1344 3.4671 3.4695 5.6677 5.6693 5.7933 5.7962 6.1259 6.1276 6.1693 6.1708 6.7832 6.7832 6.8486 6.8557 7.2051 7.2060 7.4747 7.4862 7.6689 7.6766 7.9213 7.9308 10.5380 10.5813 10.9310 11.0475 11.1826 11.2560 11.5561 11.6089 11.7622 11.7958 11.8629 11.9051 13.2993 13.4105 13.4874 13.4919 13.5345 13.6490 13.6898 13.7081 14.7389 14.7446 14.9188 14.9632 k = 0.0748 0.1296 0.3245 ( 4414 PWs) bands (ev): -2.6398 -2.6395 -2.6267 -2.6258 -2.6215 -2.6214 -2.6156 -2.6152 -2.1998 -2.1998 -2.1887 -2.1884 -2.1750 -2.1742 -2.1634 -2.1627 -2.1447 -2.1443 -2.1362 -2.1360 3.1059 3.1071 3.4339 3.4358 5.6573 5.6585 5.7924 5.7950 6.1215 6.1229 6.1667 6.1674 6.7730 6.7740 6.8463 6.8526 7.2000 7.2006 7.4727 7.4816 7.6621 7.6679 7.9216 7.9292 10.6347 10.6737 11.0111 11.0987 11.2469 11.2850 11.5818 11.6270 11.7854 11.8063 11.8773 11.9333 13.3005 13.4048 13.4900 13.5241 13.5550 13.6579 13.6960 13.7344 14.6613 14.6689 14.8831 14.9222 k = 0.0680 0.1178 0.3245 ( 4408 PWs) bands (ev): -2.6398 -2.6395 -2.6264 -2.6257 -2.6216 -2.6215 -2.6151 -2.6148 -2.1998 -2.1997 -2.1886 -2.1884 -2.1745 -2.1739 -2.1631 -2.1625 -2.1449 -2.1445 -2.1362 -2.1360 3.0811 3.0820 3.4034 3.4047 5.6475 5.6485 5.7918 5.7940 6.1173 6.1184 6.1641 6.1642 6.7635 6.7648 6.8455 6.8507 7.1948 7.1952 7.4704 7.4771 7.6560 7.6603 7.9220 7.9278 10.7290 10.7636 11.0654 11.1166 11.3345 11.3355 11.6045 11.6425 11.8078 11.8148 11.8963 11.9638 13.3016 13.3971 13.4886 13.5544 13.5826 13.6494 13.7210 13.7593 14.5818 14.5908 14.8477 14.8811 k = 0.0612 0.1060 0.3245 ( 4408 PWs) bands (ev): -2.6398 -2.6396 -2.6262 -2.6256 -2.6218 -2.6217 -2.6147 -2.6145 -2.1997 -2.1997 -2.1886 -2.1884 -2.1741 -2.1736 -2.1629 -2.1625 -2.1451 -2.1448 -2.1362 -2.1361 3.0585 3.0592 3.3755 3.3764 5.6386 5.6393 5.7914 5.7931 6.1133 6.1142 6.1612 6.1614 6.7546 6.7559 6.8458 6.8499 7.1897 7.1899 7.4678 7.4727 7.6505 7.6536 7.9224 7.9268 10.8204 10.8504 11.0935 11.1214 11.4041 11.4277 11.6246 11.6554 11.8210 11.8244 11.9241 11.9962 13.3030 13.3883 13.4867 13.5761 13.6133 13.6458 13.7477 13.7821 14.5019 14.5115 14.8128 14.8404 k = 0.0544 0.0943 0.3245 ( 4400 PWs) bands (ev): -2.6398 -2.6396 -2.6259 -2.6254 -2.6220 -2.6218 -2.6143 -2.6141 -2.1997 -2.1997 -2.1885 -2.1883 -2.1736 -2.1733 -2.1626 -2.1623 -2.1452 -2.1450 -2.1362 -2.1361 3.0382 3.0386 3.3503 3.3509 5.6306 5.6311 5.7911 5.7925 6.1096 6.1102 6.1585 6.1588 6.7465 6.7476 6.8468 6.8498 7.1847 7.1848 7.4652 7.4686 7.6456 7.6477 7.9229 7.9260 10.9080 10.9338 11.1046 11.1210 11.4828 11.5143 11.6431 11.6668 11.8247 11.8339 11.9613 12.0299 13.3052 13.3789 13.4853 13.5788 13.6455 13.6597 13.7729 13.8024 14.4227 14.4325 14.7783 14.8002 k = 0.0476 0.0825 0.3245 ( 4400 PWs) bands (ev): -2.6397 -2.6397 -2.6257 -2.6253 -2.6221 -2.6220 -2.6139 -2.6138 -2.1997 -2.1996 -2.1884 -2.1883 -2.1733 -2.1731 -2.1624 -2.1622 -2.1453 -2.1452 -2.1362 -2.1362 3.0201 3.0204 3.3279 3.3283 5.6234 5.6237 5.7910 5.7919 6.1062 6.1066 6.1560 6.1563 6.7393 6.7401 6.8482 6.8503 7.1799 7.1800 7.4625 7.4648 7.6414 7.6428 7.9233 7.9255 10.9905 11.0130 11.1071 11.1187 11.5573 11.5879 11.6639 11.6801 11.8262 11.8382 12.0055 12.0644 13.3085 13.3693 13.4850 13.5677 13.6776 13.6857 13.7956 13.8195 14.3459 14.3553 14.7448 14.7613 k = 0.0408 0.0707 0.3245 ( 4400 PWs) bands (ev): -2.6398 -2.6397 -2.6254 -2.6252 -2.6223 -2.6222 -2.6136 -2.6136 -2.1997 -2.1996 -2.1884 -2.1883 -2.1730 -2.1728 -2.1622 -2.1621 -2.1454 -2.1454 -2.1363 -2.1362 3.0043 3.0045 3.3084 3.3087 5.6171 5.6173 5.7909 5.7915 6.1032 6.1034 6.1538 6.1540 6.7330 6.7336 6.8499 6.8513 7.1754 7.1755 7.4599 7.4613 7.6378 7.6387 7.9237 7.9251 11.0639 11.0870 11.1057 11.1192 11.6102 11.6338 11.6981 11.7076 11.8258 11.8397 12.0536 12.0991 13.3127 13.3601 13.4862 13.5524 13.7087 13.7143 13.8147 13.8329 14.2735 14.2818 14.7126 14.7243 k = 0.0340 0.0589 0.3245 ( 4404 PWs) bands (ev): -2.6398 -2.6397 -2.6253 -2.6251 -2.6225 -2.6224 -2.6134 -2.6134 -2.1997 -2.1997 -2.1883 -2.1883 -2.1727 -2.1727 -2.1621 -2.1621 -2.1456 -2.1455 -2.1363 -2.1363 2.9910 2.9911 3.2918 3.2920 5.6117 5.6118 5.7909 5.7913 6.1005 6.1007 6.1518 6.1519 6.7276 6.7279 6.8517 6.8525 7.1715 7.1715 7.4575 7.4583 7.6348 7.6354 7.9241 7.9248 11.0973 11.1019 11.1533 11.1559 11.6326 11.6475 11.7501 11.7516 11.8241 11.8408 12.1025 12.1337 13.3179 13.3515 13.4890 13.5369 13.7375 13.7413 13.8294 13.8420 14.2079 14.2145 14.6825 14.6900 k = 0.0272 0.0471 0.3245 ( 4400 PWs) bands (ev): -2.6398 -2.6397 -2.6250 -2.6249 -2.6226 -2.6226 -2.6132 -2.6132 -2.1996 -2.1996 -2.1883 -2.1882 -2.1726 -2.1725 -2.1620 -2.1619 -2.1456 -2.1456 -2.1363 -2.1363 2.9800 2.9800 3.2782 3.2783 5.6073 5.6074 5.7908 5.7911 6.0983 6.0984 6.1501 6.1502 6.7231 6.7233 6.8533 6.8537 7.1680 7.1680 7.4553 7.4557 7.6325 7.6327 7.9243 7.9247 11.0974 11.0982 11.2134 11.2174 11.6391 11.6477 11.7894 11.8001 11.8242 11.8462 12.1489 12.1672 13.3234 13.3442 13.4930 13.5232 13.7629 13.7651 13.8383 13.8459 14.1520 14.1565 14.6554 14.6597 k = 0.0204 0.0353 0.3245 ( 4404 PWs) bands (ev): -2.6398 -2.6398 -2.6248 -2.6248 -2.6227 -2.6227 -2.6131 -2.6131 -2.1996 -2.1996 -2.1882 -2.1882 -2.1725 -2.1724 -2.1619 -2.1619 -2.1457 -2.1457 -2.1363 -2.1363 2.9714 2.9714 3.2675 3.2676 5.6038 5.6039 5.7908 5.7909 6.0965 6.0965 6.1488 6.1488 6.7196 6.7197 6.8547 6.8548 7.1652 7.1652 7.4535 7.4537 7.6306 7.6307 7.9245 7.9247 11.0945 11.0947 11.2678 11.2701 11.6384 11.6425 11.8073 11.8141 11.8508 11.8629 12.1895 12.1980 13.3282 13.3386 13.4978 13.5131 13.7836 13.7846 13.8406 13.8442 14.1087 14.1111 14.6324 14.6344 k = 0.0136 0.0236 0.3245 ( 4408 PWs) bands (ev): -2.6398 -2.6398 -2.6247 -2.6247 -2.6229 -2.6229 -2.6130 -2.6130 -2.1997 -2.1996 -2.1882 -2.1882 -2.1724 -2.1724 -2.1619 -2.1619 -2.1458 -2.1458 -2.1363 -2.1363 2.9652 2.9653 3.2599 3.2599 5.6013 5.6014 5.7908 5.7909 6.0952 6.0952 6.1478 6.1478 6.7171 6.7171 6.8557 6.8558 7.1632 7.1632 7.4522 7.4523 7.6293 7.6294 7.9246 7.9247 11.0919 11.0919 11.3110 11.3119 11.6340 11.6354 11.8111 11.8127 11.8807 11.8840 12.2209 12.2236 13.3314 13.3349 13.5022 13.5074 13.7988 13.7990 13.8371 13.8382 14.0795 14.0804 14.6147 14.6153 k = 0.0068 0.0118 0.3245 ( 4412 PWs) bands (ev): -2.6398 -2.6398 -2.6247 -2.6247 -2.6230 -2.6230 -2.6129 -2.6129 -2.1997 -2.1997 -2.1882 -2.1882 -2.1723 -2.1723 -2.1619 -2.1619 -2.1459 -2.1459 -2.1364 -2.1364 2.9616 2.9616 3.2553 3.2553 5.5998 5.5998 5.7908 5.7908 6.0944 6.0944 6.1472 6.1472 6.7156 6.7156 6.8564 6.8564 7.1619 7.1619 7.4514 7.4514 7.6285 7.6285 7.9247 7.9247 11.0902 11.0902 11.3393 11.3394 11.6289 11.6291 11.8111 11.8113 11.8986 11.8990 12.2405 12.2409 13.3328 13.3333 13.5049 13.5056 13.8079 13.8079 13.8315 13.8316 14.0635 14.0636 14.6034 14.6035 k = 0.0000 0.0000 0.3245 ( 4408 PWs) bands (ev): -2.6398 -2.6398 -2.6247 -2.6247 -2.6230 -2.6230 -2.6129 -2.6129 -2.1996 -2.1996 -2.1882 -2.1882 -2.1722 -2.1722 -2.1618 -2.1618 -2.1459 -2.1459 -2.1364 -2.1364 2.9603 2.9603 3.2538 3.2538 5.5993 5.5993 5.7908 5.7908 6.0942 6.0942 6.1470 6.1470 6.7150 6.7150 6.8566 6.8566 7.1615 7.1615 7.4511 7.4511 7.6283 7.6283 7.9247 7.9247 11.0896 11.0896 11.3492 11.3492 11.6267 11.6267 11.8109 11.8109 11.9044 11.9044 12.2471 12.2471 13.3329 13.3329 13.5057 13.5057 13.8109 13.8109 13.8289 13.8289 14.0585 14.0585 14.5995 14.5995 k = 0.5000 0.2887 0.3245 ( 4412 PWs) bands (ev): -2.6352 -2.6352 -2.6316 -2.6316 -2.6308 -2.6308 -2.6182 -2.6182 -2.2001 -2.2001 -2.1900 -2.1900 -2.1877 -2.1877 -2.1638 -2.1638 -2.1409 -2.1409 -2.1359 -2.1359 4.2016 4.2016 4.6499 4.6499 5.9403 5.9403 6.0487 6.0487 6.4053 6.4053 6.5633 6.5633 6.7370 6.7370 6.8172 6.8172 7.4321 7.4321 7.7429 7.7429 7.7819 7.7819 7.8823 7.8823 8.1467 8.1467 8.5892 8.5892 10.6219 10.6219 10.7336 10.7336 10.9790 10.9790 12.2203 12.2203 12.8761 12.8761 13.3103 13.3103 13.7278 13.7278 14.0362 14.0362 14.0902 14.0902 14.1851 14.1851 k = 0.5000 0.2887 0.3110 ( 4416 PWs) bands (ev): -2.6353 -2.6352 -2.6316 -2.6316 -2.6308 -2.6308 -2.6182 -2.6182 -2.2001 -2.2000 -2.1901 -2.1900 -2.1878 -2.1877 -2.1639 -2.1638 -2.1410 -2.1407 -2.1360 -2.1359 4.1993 4.2015 4.6501 4.6527 5.9280 5.9510 6.0481 6.0487 6.4001 6.4046 6.5592 6.5680 6.6997 6.7601 6.8095 6.8409 7.4301 7.4345 7.7341 7.7505 7.7782 7.7869 7.8800 7.8845 8.1448 8.1584 8.5855 8.5957 10.6087 10.6128 10.7413 10.7489 10.9696 10.9829 12.2093 12.2298 12.8646 12.8797 13.2902 13.3269 13.7266 13.7278 14.0356 14.0377 14.0731 14.1052 14.1811 14.2007 k = 0.5000 0.2887 0.2974 ( 4416 PWs) bands (ev): -2.6354 -2.6353 -2.6316 -2.6316 -2.6308 -2.6308 -2.6183 -2.6182 -2.2002 -2.2000 -2.1902 -2.1900 -2.1878 -2.1878 -2.1640 -2.1638 -2.1410 -2.1405 -2.1359 -2.1358 4.1949 4.1992 4.6533 4.6583 5.9144 5.9593 6.0474 6.0479 6.3871 6.4000 6.5564 6.5728 6.6642 6.7455 6.8396 6.8663 7.4286 7.4373 7.7243 7.7567 7.7765 7.7927 7.8777 7.8865 8.1526 8.1797 8.5845 8.6051 10.5826 10.5883 10.7641 10.7778 10.9561 10.9810 12.1967 12.2373 12.8457 12.8752 13.2678 13.3394 13.7243 13.7266 14.0333 14.0406 14.0604 14.1101 14.1955 14.2240 k = 0.5000 0.2887 0.2839 ( 4408 PWs) bands (ev): -2.6355 -2.6354 -2.6316 -2.6316 -2.6308 -2.6307 -2.6182 -2.6182 -2.2003 -2.2000 -2.1902 -2.1900 -2.1879 -2.1879 -2.1640 -2.1637 -2.1410 -2.1402 -2.1357 -2.1355 4.1884 4.1946 4.6594 4.6666 5.8999 5.9644 6.0444 6.0490 6.3651 6.3930 6.5549 6.5773 6.6339 6.7203 6.8793 6.8912 7.4274 7.4406 7.7137 7.7601 7.7784 7.7992 7.8759 7.8882 8.1698 8.2101 8.5860 8.6176 10.5524 10.5585 10.7888 10.8110 10.9420 10.9740 12.1820 12.2420 12.8202 12.8627 13.2446 13.3479 13.7209 13.7242 14.0246 14.0444 14.0571 14.1056 14.2267 14.2540 k = 0.5000 0.2887 0.2704 ( 4416 PWs) bands (ev): -2.6357 -2.6356 -2.6317 -2.6316 -2.6308 -2.6307 -2.6182 -2.6182 -2.2004 -2.2001 -2.1903 -2.1900 -2.1881 -2.1880 -2.1640 -2.1637 -2.1409 -2.1400 -2.1355 -2.1353 4.1803 4.1880 4.6681 4.6771 5.8847 5.9656 6.0394 6.0522 6.3346 6.3849 6.5545 6.5813 6.6100 6.6937 6.9151 6.9184 7.4265 7.4440 7.7025 7.7608 7.7842 7.8062 7.8746 7.8896 8.1962 8.2485 8.5899 8.6335 10.5212 10.5276 10.8041 10.8424 10.9353 10.9651 12.1642 12.2430 12.7890 12.8425 13.2225 13.3533 13.7166 13.7207 14.0111 14.0486 14.0606 14.0975 14.2680 14.2902 k = 0.5000 0.2887 0.2569 ( 4416 PWs) bands (ev): -2.6359 -2.6357 -2.6317 -2.6316 -2.6307 -2.6307 -2.6183 -2.6182 -2.2006 -2.2002 -2.1904 -2.1901 -2.1883 -2.1882 -2.1641 -2.1637 -2.1407 -2.1396 -2.1352 -2.1350 4.1709 4.1798 4.6791 4.6896 5.8689 5.9629 6.0320 6.0575 6.2976 6.3766 6.5533 6.5842 6.5929 6.6677 6.9376 6.9547 7.4257 7.4477 7.6911 7.7603 7.7923 7.8136 7.8740 7.8907 8.2315 8.2934 8.5963 8.6536 10.4902 10.4969 10.7992 10.8623 10.9462 10.9631 12.1423 12.2388 12.7530 12.8153 13.2032 13.3568 13.7115 13.7163 13.9961 14.0518 14.0665 14.0893 14.3152 14.3320 k = 0.5000 0.2887 0.2434 ( 4412 PWs) bands (ev): -2.6361 -2.6359 -2.6318 -2.6317 -2.6307 -2.6306 -2.6183 -2.6182 -2.2007 -2.2003 -2.1905 -2.1902 -2.1885 -2.1884 -2.1641 -2.1636 -2.1404 -2.1392 -2.1349 -2.1346 4.1604 4.1703 4.6920 4.7037 5.8526 5.9568 6.0224 6.0643 6.2566 6.3688 6.5490 6.5835 6.5853 6.6435 6.9587 6.9875 7.4249 7.4513 7.6797 7.7594 7.8013 7.8214 7.8746 7.8917 8.2756 8.3430 8.6048 8.6787 10.4602 10.4673 10.7753 10.8585 10.9732 10.9804 12.1150 12.2282 12.7133 12.7818 13.1883 13.3597 13.7058 13.7111 13.9804 14.0515 14.0734 14.0842 14.3661 14.3783 k = 0.5000 0.2887 0.2298 ( 4408 PWs) bands (ev): -2.6363 -2.6361 -2.6318 -2.6317 -2.6307 -2.6305 -2.6183 -2.6183 -2.2009 -2.2004 -2.1906 -2.1902 -2.1887 -2.1886 -2.1641 -2.1636 -2.1401 -2.1387 -2.1345 -2.1342 4.1492 4.1598 4.7065 4.7189 5.8359 5.9481 6.0106 6.0714 6.2143 6.3619 6.5406 6.5811 6.5821 6.6240 6.9781 7.0163 7.4240 7.4547 7.6690 7.7585 7.8104 7.8296 7.8765 7.8925 8.3284 8.3948 8.6154 8.7103 10.4313 10.4390 10.7408 10.8351 11.0085 11.0130 12.0811 12.2101 12.6708 12.7430 13.1788 13.3634 13.6994 13.7053 13.9638 14.0452 14.0807 14.0847 14.4190 14.4277 k = 0.5000 0.2887 0.2163 ( 4414 PWs) bands (ev): -2.6366 -2.6364 -2.6319 -2.6317 -2.6306 -2.6305 -2.6184 -2.6184 -2.2011 -2.2005 -2.1908 -2.1904 -2.1889 -2.1889 -2.1641 -2.1636 -2.1398 -2.1383 -2.1341 -2.1339 4.1376 4.1485 4.7221 4.7350 5.8188 5.9373 5.9969 6.0767 6.1742 6.3562 6.5302 6.5702 6.5825 6.6135 6.9961 7.0413 7.4229 7.4577 7.6592 7.7576 7.8186 7.8381 7.8801 7.8932 8.3897 8.4462 8.6279 8.7501 10.4037 10.4122 10.7009 10.8019 11.0474 11.0518 12.0397 12.1832 12.6267 12.7002 13.1752 13.3690 13.6927 13.6991 13.9466 14.0343 14.0882 14.0893 14.4723 14.4787 k = 0.5000 0.2887 0.2028 ( 4406 PWs) bands (ev): -2.6369 -2.6366 -2.6319 -2.6317 -2.6306 -2.6303 -2.6184 -2.6184 -2.2013 -2.2006 -2.1910 -2.1906 -2.1891 -2.1890 -2.1641 -2.1636 -2.1393 -2.1378 -2.1337 -2.1334 4.1259 4.1369 4.7387 4.7516 5.8015 5.9246 5.9819 6.0742 6.1430 6.3518 6.5194 6.5511 6.5854 6.6106 7.0125 7.0627 7.4216 7.4600 7.6507 7.7565 7.8255 7.8467 7.8854 7.8938 8.4590 8.4944 8.6421 8.8000 10.3774 10.3869 10.6581 10.7632 11.0877 11.0927 11.9902 12.1470 12.5817 12.6546 13.1777 13.3772 13.6856 13.6926 13.9288 14.0211 14.0959 14.0959 14.5248 14.5299 k = 0.5000 0.2887 0.1893 ( 4404 PWs) bands (ev): -2.6371 -2.6369 -2.6320 -2.6318 -2.6306 -2.6303 -2.6185 -2.6185 -2.2014 -2.2008 -2.1912 -2.1908 -2.1893 -2.1892 -2.1641 -2.1636 -2.1389 -2.1373 -2.1332 -2.1329 4.1142 4.1251 4.7557 4.7685 5.7841 5.9102 5.9660 6.0547 6.1311 6.3486 6.5087 6.5297 6.5887 6.6106 7.0276 7.0809 7.4200 7.4614 7.6440 7.7553 7.8308 7.8555 7.8923 7.8944 8.5356 8.5377 8.6576 8.8608 10.3527 10.3634 10.6139 10.7213 11.1285 11.1343 11.9326 12.1010 12.5369 12.6076 13.1859 13.3884 13.6784 13.6860 13.9104 14.0065 14.1032 14.1036 14.5753 14.5801 k = 0.5000 0.2887 0.1758 ( 4406 PWs) bands (ev): -2.6375 -2.6372 -2.6320 -2.6318 -2.6305 -2.6302 -2.6185 -2.6185 -2.2016 -2.2010 -2.1914 -2.1911 -2.1895 -2.1894 -2.1641 -2.1636 -2.1385 -2.1369 -2.1327 -2.1324 4.1027 4.1134 4.7730 4.7854 5.7666 5.8938 5.9498 6.0237 6.1337 6.3465 6.4983 6.5081 6.5922 6.6116 7.0414 7.0963 7.4182 7.4616 7.6392 7.7538 7.8348 7.8641 7.8950 7.9003 8.5755 8.6185 8.6743 8.9322 10.3294 10.3415 10.5695 10.6773 11.1691 11.1756 11.8671 12.0454 12.4931 12.5603 13.1990 13.4025 13.6711 13.6796 13.8917 13.9910 14.1111 14.1113 14.6231 14.6280 k = 0.5000 0.2887 0.1622 ( 4406 PWs) bands (ev): -2.6378 -2.6375 -2.6321 -2.6319 -2.6305 -2.6302 -2.6185 -2.6185 -2.2018 -2.2011 -2.1917 -2.1914 -2.1896 -2.1896 -2.1641 -2.1637 -2.1380 -2.1365 -2.1321 -2.1319 4.0917 4.1019 4.7903 4.8021 5.7493 5.8752 5.9337 5.9917 6.1412 6.3453 6.4869 6.4882 6.5956 6.6128 7.0541 7.1093 7.4162 7.4605 7.6366 7.7521 7.8379 7.8722 7.8959 7.9087 8.6085 8.6892 8.7099 9.0126 10.3076 10.3212 10.5258 10.6323 11.2088 11.2162 11.7941 11.9804 12.4512 12.5138 13.2164 13.4193 13.6639 13.6734 13.8728 13.9749 14.1191 14.1192 14.6674 14.6730 k = 0.5000 0.2887 0.1487 ( 4410 PWs) bands (ev): -2.6381 -2.6379 -2.6321 -2.6319 -2.6305 -2.6302 -2.6186 -2.6186 -2.2020 -2.2014 -2.1920 -2.1917 -2.1898 -2.1897 -2.1641 -2.1637 -2.1375 -2.1361 -2.1317 -2.1315 4.0811 4.0909 4.8073 4.8183 5.7324 5.8541 5.9181 5.9628 6.1503 6.3449 6.4665 6.4784 6.5988 6.6140 7.0658 7.1201 7.4142 7.4582 7.6360 7.7500 7.8406 7.8789 7.8979 7.9171 8.6376 8.7081 8.8025 9.0999 10.2872 10.3027 10.4835 10.5872 11.2472 11.2554 11.7146 11.9069 12.4115 12.4690 13.2371 13.4382 13.6569 13.6676 13.8538 13.9583 14.1270 14.1273 14.7079 14.7144 k = 0.5000 0.2887 0.1352 ( 4412 PWs) bands (ev): -2.6384 -2.6382 -2.6322 -2.6320 -2.6305 -2.6302 -2.6186 -2.6186 -2.2022 -2.2016 -2.1922 -2.1920 -2.1899 -2.1898 -2.1641 -2.1637 -2.1370 -2.1357 -2.1312 -2.1310 4.0713 4.0804 4.8237 4.8339 5.7160 5.8306 5.9035 5.9382 6.1602 6.3449 6.4471 6.4689 6.6017 6.6151 7.0765 7.1290 7.4120 7.4548 7.6374 7.7476 7.8430 7.8832 7.9020 7.9251 8.6639 8.7258 8.9002 9.1922 10.2682 10.2857 10.4435 10.5426 11.2839 11.2928 11.6297 11.8260 12.3747 12.4266 13.2602 13.4585 13.6504 13.6623 13.8350 13.9413 14.1348 14.1354 14.7445 14.7518 k = 0.5000 0.2887 0.1217 ( 4410 PWs) bands (ev): -2.6387 -2.6385 -2.6322 -2.6320 -2.6304 -2.6301 -2.6186 -2.6186 -2.2024 -2.2018 -2.1925 -2.1923 -2.1900 -2.1899 -2.1641 -2.1638 -2.1366 -2.1353 -2.1306 -2.1305 4.0621 4.0705 4.8394 4.8486 5.7006 5.8056 5.8900 5.9177 6.1704 6.3450 6.4290 6.4597 6.6045 6.6161 7.0864 7.1363 7.4100 7.4504 7.6405 7.7447 7.8454 7.8849 7.9082 7.9325 8.6880 8.7430 9.0009 9.2877 10.2506 10.2703 10.4066 10.4994 11.3182 11.3278 11.5408 11.7392 12.3409 12.3871 13.2851 13.4792 13.6446 13.6577 13.8165 13.9239 14.1425 14.1435 14.7770 14.7851 k = 0.5000 0.2887 0.1082 ( 4414 PWs) bands (ev): -2.6390 -2.6388 -2.6323 -2.6321 -2.6304 -2.6301 -2.6187 -2.6187 -2.2025 -2.2019 -2.1928 -2.1926 -2.1901 -2.1900 -2.1641 -2.1638 -2.1361 -2.1350 -2.1302 -2.1301 4.0538 4.0615 4.8542 4.8623 5.6863 5.7802 5.8779 5.9008 6.1808 6.3448 6.4126 6.4508 6.6070 6.6170 7.0955 7.1421 7.4081 7.4455 7.6450 7.7415 7.8478 7.8850 7.9155 7.9392 8.7102 8.7594 9.1036 9.3843 10.2343 10.2564 10.3733 10.4582 11.3493 11.3589 11.4508 11.6483 12.3105 12.3509 13.3111 13.4994 13.6399 13.6538 13.7986 13.9063 14.1501 14.1514 14.8056 14.8143 k = 0.5000 0.2887 0.0946 ( 4412 PWs) bands (ev): -2.6392 -2.6390 -2.6323 -2.6322 -2.6304 -2.6301 -2.6188 -2.6188 -2.2027 -2.2021 -2.1930 -2.1928 -2.1902 -2.1901 -2.1640 -2.1638 -2.1357 -2.1346 -2.1298 -2.1297 4.0464 4.0532 4.8678 4.8748 5.6735 5.7555 5.8672 5.8865 6.1914 6.3434 6.3987 6.4424 6.6092 6.6177 7.1040 7.1465 7.4065 7.4402 7.6506 7.7377 7.8503 7.8842 7.9229 7.9450 8.7306 8.7745 9.2070 9.4799 10.2196 10.2440 10.3443 10.4198 11.3481 11.3750 11.3992 11.5566 12.2836 12.3183 13.3376 13.5175 13.6371 13.6509 13.7815 13.8884 14.1575 14.1591 14.8303 14.8393 k = 0.5000 0.2887 0.0811 ( 4396 PWs) bands (ev): -2.6393 -2.6391 -2.6323 -2.6321 -2.6303 -2.6301 -2.6187 -2.6187 -2.2027 -2.2022 -2.1931 -2.1930 -2.1902 -2.1901 -2.1640 -2.1638 -2.1352 -2.1343 -2.1294 -2.1293 4.0400 4.0459 4.8800 4.8860 5.6624 5.7323 5.8581 5.8745 6.2021 6.3394 6.3885 6.4343 6.6112 6.6183 7.1119 7.1496 7.4053 7.4348 7.6569 7.7335 7.8530 7.8830 7.9300 7.9499 8.7494 8.7881 9.3097 9.5720 10.2067 10.2332 10.3202 10.3848 11.2618 11.3839 11.4213 11.4768 12.2602 12.2895 13.3640 13.5317 13.6374 13.6489 13.7657 13.8702 14.1646 14.1664 14.8511 14.8605 k = 0.5000 0.2887 0.0676 ( 4408 PWs) bands (ev): -2.6395 -2.6394 -2.6323 -2.6322 -2.6303 -2.6301 -2.6189 -2.6188 -2.2028 -2.2024 -2.1934 -2.1932 -2.1903 -2.1903 -2.1639 -2.1638 -2.1349 -2.1342 -2.1292 -2.1291 4.0345 4.0395 4.8908 4.8957 5.6534 5.7112 5.8505 5.8643 6.2130 6.3319 6.3831 6.4266 6.6130 6.6187 7.1191 7.1515 7.4045 7.4296 7.6637 7.7289 7.8556 7.8813 7.9366 7.9538 8.7664 8.7997 9.4102 9.6567 10.1963 10.2242 10.3012 10.3539 11.1762 11.3322 11.4439 11.4546 12.2406 12.2646 13.3900 13.5400 13.6416 13.6480 13.7519 13.8518 14.1713 14.1730 14.8675 14.8779 k = 0.5000 0.2887 0.0541 ( 4408 PWs) bands (ev): -2.6397 -2.6396 -2.6323 -2.6322 -2.6303 -2.6301 -2.6189 -2.6189 -2.2029 -2.2025 -2.1935 -2.1934 -2.1904 -2.1903 -2.1639 -2.1638 -2.1346 -2.1340 -2.1289 -2.1289 4.0301 4.0341 4.8999 4.9038 5.6466 5.6925 5.8446 5.8557 6.2241 6.3214 6.3818 6.4193 6.6145 6.6190 7.1257 7.1523 7.4043 7.4246 7.6709 7.7238 7.8584 7.8794 7.9425 7.9567 8.7815 8.8089 9.5063 9.7291 10.1898 10.2174 10.2872 10.3276 11.0986 11.2463 11.4631 11.4656 12.2248 12.2437 13.4151 13.5416 13.6481 13.6492 13.7411 13.8333 14.1773 14.1789 14.8740 14.8918 k = 0.5000 0.2887 0.0406 ( 4412 PWs) bands (ev): -2.6398 -2.6397 -2.6324 -2.6323 -2.6303 -2.6301 -2.6189 -2.6189 -2.2029 -2.2027 -2.1936 -2.1935 -2.1904 -2.1904 -2.1639 -2.1638 -2.1343 -2.1339 -2.1287 -2.1287 4.0268 4.0298 4.9072 4.9101 5.6424 5.6766 5.8403 5.8488 6.2355 6.3093 6.3831 6.4125 6.6158 6.6191 7.1317 7.1521 7.4046 7.4200 7.6781 7.7183 7.8612 7.8772 7.9477 7.9585 8.7944 8.8155 9.5955 9.7827 10.1887 10.2130 10.2777 10.3061 11.0347 11.1604 11.4783 11.4787 12.2129 12.2269 13.4390 13.5372 13.6494 13.6571 13.7355 13.8146 14.1824 14.1838 14.8576 14.8701 k = 0.5000 0.2887 0.0270 ( 4412 PWs) bands (ev): -2.6399 -2.6399 -2.6323 -2.6323 -2.6302 -2.6302 -2.6189 -2.6189 -2.2029 -2.2028 -2.1937 -2.1936 -2.1904 -2.1904 -2.1639 -2.1638 -2.1341 -2.1338 -2.1286 -2.1285 4.0245 4.0265 4.9127 4.9146 5.6408 5.6635 5.8377 5.8434 6.2471 6.2966 6.3861 6.4061 6.6168 6.6190 7.1370 7.1508 7.4055 7.4159 7.6854 7.7124 7.8641 7.8748 7.9520 7.9593 8.8049 8.8193 9.6745 9.8113 10.1934 10.2108 10.2723 10.2898 10.9905 11.0835 11.4890 11.4893 12.2050 12.2143 13.4614 13.5283 13.6518 13.6617 13.7372 13.7961 14.1864 14.1874 14.8395 14.8469 k = 0.5000 0.2887 0.0135 ( 4416 PWs) bands (ev): -2.6400 -2.6400 -2.6324 -2.6323 -2.6302 -2.6302 -2.6189 -2.6189 -2.2030 -2.2029 -2.1938 -2.1937 -2.1904 -2.1904 -2.1639 -2.1639 -2.1340 -2.1339 -2.1285 -2.1285 4.0233 4.0243 4.9162 4.9171 5.6421 5.6534 5.8367 5.8396 6.2591 6.2839 6.3900 6.4002 6.6177 6.6188 7.1417 7.1486 7.4071 7.4123 7.6925 7.7061 7.8669 7.8723 7.9554 7.9590 8.8128 8.8201 9.7397 9.8122 10.2010 10.2096 10.2705 10.2785 10.9723 11.0222 11.4956 11.4958 12.2012 12.2058 13.4818 13.5157 13.6550 13.6616 13.7465 13.7779 14.1891 14.1896 14.8286 14.8322 k = 0.5000 0.2887-0.0000 ( 4418 PWs) bands (ev): -2.6400 -2.6400 -2.6324 -2.6324 -2.6302 -2.6302 -2.6190 -2.6190 -2.2029 -2.2029 -2.1938 -2.1938 -2.1904 -2.1904 -2.1639 -2.1639 -2.1339 -2.1339 -2.1284 -2.1284 4.0233 4.0233 4.9176 4.9176 5.6462 5.6462 5.8374 5.8374 6.2713 6.2713 6.3948 6.3948 6.6183 6.6183 7.1455 7.1455 7.4094 7.4094 7.6995 7.6995 7.8696 7.8696 7.9577 7.9577 8.8180 8.8180 9.7870 9.7870 10.2070 10.2070 10.2723 10.2723 10.9833 10.9833 11.4979 11.4979 12.2014 12.2014 13.5000 13.5000 13.6587 13.6587 13.7609 13.7609 14.1901 14.1901 14.8261 14.8261 k = 0.3333 0.5774-0.0000 ( 4401 PWs) bands (ev): -2.6400 -2.6390 -2.6380 -2.6355 -2.6295 -2.6255 -2.6222 -2.6170 -2.2028 -2.2028 -2.1986 -2.1981 -2.1943 -2.1847 -2.1713 -2.1547 -2.1392 -2.1305 -2.1285 -2.1265 4.0575 4.2211 5.2303 5.5427 5.8817 5.9042 5.9232 5.9880 6.0855 6.1452 6.5951 6.6342 6.6641 6.7743 6.7752 6.9538 7.1205 7.5125 7.6730 7.7315 7.8266 7.8279 8.2101 8.3602 8.3931 8.4562 8.6396 8.7583 9.4778 9.5152 10.6134 10.6195 10.9269 11.2137 11.5044 11.6413 12.4854 12.4905 13.2273 13.3166 13.8720 13.9058 14.1663 14.2248 14.2928 14.3692 14.8481 14.9765 k = 0.3333 0.5774 0.0135 ( 4395 PWs) bands (ev): -2.6399 -2.6390 -2.6380 -2.6355 -2.6295 -2.6255 -2.6221 -2.6169 -2.2028 -2.2028 -2.1986 -2.1980 -2.1942 -2.1847 -2.1714 -2.1547 -2.1391 -2.1305 -2.1285 -2.1265 4.0583 4.2219 5.2285 5.5408 5.8829 5.9049 5.9242 5.9886 6.0858 6.1455 6.5945 6.6337 6.6641 6.7751 6.7756 6.9547 7.1213 7.5118 7.6731 7.7312 7.8262 7.8264 8.2094 8.3587 8.3937 8.4566 8.6422 8.7623 9.4712 9.5071 10.6136 10.6216 10.9300 11.2202 11.5037 11.6370 12.4878 12.4928 13.2259 13.3148 13.8702 13.9083 14.1452 14.1941 14.3165 14.3981 14.8463 14.9743 k = 0.3333 0.5774 0.0270 ( 4395 PWs) bands (ev): -2.6400 -2.6390 -2.6380 -2.6356 -2.6294 -2.6255 -2.6220 -2.6169 -2.2028 -2.2027 -2.1986 -2.1979 -2.1941 -2.1847 -2.1714 -2.1547 -2.1392 -2.1306 -2.1285 -2.1265 4.0607 4.2243 5.2233 5.5352 5.8862 5.9071 5.9271 5.9905 6.0865 6.1462 6.5928 6.6322 6.6642 6.7769 6.7774 6.9573 7.1237 7.5098 7.6733 7.7303 7.8215 7.8254 8.2074 8.3545 8.3955 8.4580 8.6501 8.7739 9.4517 9.4832 10.6143 10.6281 10.9385 11.2391 11.5019 11.6243 12.4951 12.4997 13.2219 13.3098 13.8630 13.9157 14.1058 14.1325 14.3649 14.4545 14.8408 14.9678 k = 0.3333 0.5774 0.0406 ( 4395 PWs) bands (ev): -2.6399 -2.6390 -2.6379 -2.6355 -2.6294 -2.6255 -2.6220 -2.6169 -2.2028 -2.2027 -2.1986 -2.1978 -2.1941 -2.1846 -2.1715 -2.1547 -2.1392 -2.1308 -2.1286 -2.1267 4.0647 4.2281 5.2146 5.5260 5.8915 5.9111 5.9321 5.9934 6.0878 6.1473 6.5900 6.6298 6.6642 6.7790 6.7810 6.9615 7.1277 7.5064 7.6736 7.7288 7.8137 7.8238 8.2040 8.3480 8.3983 8.4605 8.6630 8.7925 9.4200 9.4451 10.6164 10.6388 10.9500 11.2688 11.5003 11.6033 12.5071 12.5111 13.2152 13.3016 13.8462 13.9278 14.0618 14.0706 14.4197 14.5165 14.8316 14.9568 k = 0.3333 0.5774 0.0541 ( 4398 PWs) bands (ev): -2.6397 -2.6391 -2.6379 -2.6354 -2.6294 -2.6255 -2.6219 -2.6169 -2.2027 -2.2027 -2.1986 -2.1975 -2.1940 -2.1847 -2.1715 -2.1547 -2.1394 -2.1311 -2.1288 -2.1269 4.0703 4.2335 5.2026 5.5132 5.8982 5.9174 5.9392 5.9974 6.0895 6.1489 6.5863 6.6266 6.6644 6.7819 6.7858 6.9673 7.1332 7.5019 7.6737 7.7267 7.8031 7.8217 8.1994 8.3403 8.4019 8.4640 8.6807 8.8172 9.3773 9.3946 10.6207 10.6537 10.9608 11.3073 11.5009 11.5744 12.5238 12.5270 13.2064 13.2908 13.8148 13.9439 13.9871 14.0494 14.4760 14.5790 14.8184 14.9412 k = 0.3333 0.5774 0.0676 ( 4395 PWs) bands (ev): -2.6395 -2.6391 -2.6378 -2.6352 -2.6294 -2.6255 -2.6218 -2.6170 -2.2026 -2.2025 -2.1985 -2.1973 -2.1939 -2.1846 -2.1716 -2.1547 -2.1395 -2.1314 -2.1291 -2.1272 4.0774 4.2405 5.1875 5.4970 5.9055 5.9265 5.9484 6.0023 6.0917 6.1508 6.5816 6.6229 6.6649 6.7855 6.7916 6.9743 7.1400 7.4964 7.6734 7.7241 7.7902 7.8189 8.1937 8.3320 8.4061 8.4688 8.7030 8.8474 9.3252 9.3340 10.6279 10.6727 10.9667 11.3524 11.5060 11.5379 12.5451 12.5473 13.1955 13.2779 13.7685 13.9101 13.9637 14.0438 14.5322 14.6406 14.8009 14.9207 k = 0.3333 0.5774 0.0811 ( 4407 PWs) bands (ev): -2.6392 -2.6392 -2.6378 -2.6350 -2.6295 -2.6255 -2.6218 -2.6171 -2.2025 -2.2024 -2.1985 -2.1971 -2.1939 -2.1845 -2.1718 -2.1548 -2.1396 -2.1317 -2.1294 -2.1276 4.0861 4.2488 5.1695 5.4777 5.9130 5.9387 5.9598 6.0081 6.0943 6.1529 6.5762 6.6189 6.6656 6.7899 6.7981 6.9825 7.1482 7.4901 7.6724 7.7211 7.7751 7.8156 8.1872 8.3237 8.4104 8.4748 8.7295 8.8821 9.2651 9.2653 10.6387 10.6958 10.9640 11.4021 11.4943 11.5180 12.5710 12.5720 13.1831 13.2633 13.7115 13.8315 13.9867 14.0503 14.5876 14.7007 14.7788 14.8952 k = 0.3333 0.5774 0.0946 ( 4410 PWs) bands (ev): -2.6392 -2.6389 -2.6378 -2.6349 -2.6295 -2.6255 -2.6218 -2.6172 -2.2023 -2.2023 -2.1984 -2.1967 -2.1938 -2.1844 -2.1719 -2.1548 -2.1398 -2.1322 -2.1297 -2.1281 4.0964 4.2586 5.1488 5.4555 5.9207 5.9539 5.9729 6.0149 6.0973 6.1553 6.5701 6.6146 6.6668 6.7949 6.8051 6.9916 7.1576 7.4831 7.6706 7.7176 7.7584 7.8117 8.1802 8.3159 8.4147 8.4821 8.7600 8.9209 9.1908 9.1988 10.6531 10.7227 10.9502 11.4443 11.4545 11.5378 12.6010 12.6013 13.1693 13.2477 13.6480 13.7516 14.0122 14.0647 14.6418 14.7520 14.7590 14.8645 k = 0.3333 0.5774 0.1082 ( 4398 PWs) bands (ev): -2.6392 -2.6386 -2.6377 -2.6346 -2.6294 -2.6255 -2.6216 -2.6172 -2.2021 -2.2020 -2.1983 -2.1963 -2.1936 -2.1843 -2.1720 -2.1548 -2.1399 -2.1326 -2.1300 -2.1284 4.1081 4.2698 5.1256 5.4307 5.9289 5.9715 5.9872 6.0231 6.1007 6.1578 6.5636 6.6103 6.6685 6.8005 6.8124 7.0015 7.1679 7.4756 7.6678 7.7137 7.7403 7.8073 8.1731 8.3086 8.4186 8.4905 8.7941 8.9633 9.1119 9.1277 10.6713 10.7533 10.9244 11.3882 11.5082 11.5653 12.6341 12.6358 13.1545 13.2313 13.5809 13.6709 14.0398 14.0844 14.6947 14.7202 14.8147 14.8294 k = 0.3333 0.5774 0.1217 ( 4404 PWs) bands (ev): -2.6393 -2.6382 -2.6376 -2.6344 -2.6294 -2.6255 -2.6214 -2.6173 -2.2020 -2.2018 -2.1982 -2.1958 -2.1935 -2.1842 -2.1722 -2.1548 -2.1401 -2.1332 -2.1304 -2.1289 4.1212 4.2824 5.1003 5.4038 5.9376 5.9911 6.0015 6.0337 6.1043 6.1604 6.5569 6.6062 6.6707 6.8066 6.8198 7.0118 7.1792 7.4677 7.6638 7.7096 7.7211 7.8024 8.1661 8.3020 8.4222 8.5000 8.8316 9.0089 9.0304 9.0533 10.6931 10.7874 10.8876 11.3269 11.5619 11.5989 12.6713 12.6745 13.1389 13.2146 13.5119 13.5896 14.0691 14.1076 14.6832 14.7461 14.7869 14.8704 k = 0.3333 0.5774 0.1352 ( 4401 PWs) bands (ev): -2.6393 -2.6378 -2.6375 -2.6341 -2.6294 -2.6255 -2.6214 -2.6175 -2.2018 -2.2016 -2.1981 -2.1954 -2.1934 -2.1841 -2.1724 -2.1548 -2.1402 -2.1337 -2.1309 -2.1295 4.1357 4.2961 5.0732 5.3750 5.9469 6.0121 6.0139 6.0480 6.1083 6.1630 6.5503 6.6022 6.6735 6.8131 6.8272 7.0224 7.1911 7.4596 7.6586 7.7012 7.7052 7.7971 8.1596 8.2961 8.4252 8.5102 8.8722 8.9476 8.9771 9.0575 10.7183 10.8247 10.8413 11.2609 11.6146 11.6368 12.7124 12.7171 13.1225 13.1979 13.4425 13.5080 14.0998 14.1334 14.6412 14.7406 14.7960 14.9229 k = 0.3333 0.5774 0.1487 ( 4395 PWs) bands (ev): -2.6393 -2.6374 -2.6373 -2.6338 -2.6294 -2.6254 -2.6212 -2.6176 -2.2016 -2.2013 -2.1979 -2.1948 -2.1932 -2.1840 -2.1725 -2.1547 -2.1404 -2.1342 -2.1313 -2.1301 4.1515 4.3110 5.0444 5.3448 5.9569 6.0240 6.0342 6.0664 6.1124 6.1655 6.5439 6.5987 6.6768 6.8200 6.8343 7.0332 7.2037 7.4513 7.6523 7.6808 7.7007 7.7915 8.1537 8.2907 8.4276 8.5208 8.8638 8.9002 8.9164 9.1088 10.7465 10.7870 10.8649 11.1909 11.6655 11.6768 12.7573 12.7635 13.1052 13.1815 13.3738 13.4267 14.1314 14.1610 14.5943 14.6892 14.8443 14.9735 k = 0.3333 0.5774 0.1622 ( 4395 PWs) bands (ev): -2.6394 -2.6373 -2.6370 -2.6336 -2.6293 -2.6254 -2.6211 -2.6177 -2.2013 -2.2011 -2.1978 -2.1943 -2.1930 -2.1838 -2.1727 -2.1547 -2.1406 -2.1348 -2.1318 -2.1307 4.1686 4.3269 5.0144 5.3136 5.9675 6.0323 6.0568 6.0877 6.1167 6.1679 6.5383 6.5957 6.6806 6.8270 6.8411 7.0439 7.2166 7.4431 7.6449 7.6600 7.6962 7.7855 8.1487 8.2859 8.4292 8.5315 8.7817 8.8241 8.9627 9.1626 10.7265 10.7773 10.9077 11.1174 11.7140 11.7175 12.8057 12.8134 13.0864 13.1656 13.3072 13.3459 14.1636 14.1899 14.5425 14.6332 14.8911 15.0220 k = 0.3333 0.5774 0.1758 ( 4401 PWs) bands (ev): -2.6394 -2.6372 -2.6367 -2.6335 -2.6293 -2.6254 -2.6209 -2.6178 -2.2011 -2.2010 -2.1978 -2.1938 -2.1928 -2.1837 -2.1730 -2.1548 -2.1408 -2.1355 -2.1322 -2.1313 4.1867 4.3437 4.9835 5.2817 5.9785 6.0396 6.0793 6.1107 6.1211 6.1701 6.5338 6.5935 6.6850 6.8341 6.8474 7.0544 7.2297 7.4350 7.6365 7.6390 7.6918 7.7794 8.1445 8.2815 8.4295 8.5421 8.7012 8.7501 9.0117 9.2189 10.6611 10.8102 10.9525 11.0413 11.7575 11.7597 12.8575 12.8665 13.0649 13.1504 13.2448 13.2661 14.1961 14.2197 14.4865 14.5730 14.9363 15.0687 k = 0.3333 0.5774 0.1893 ( 4383 PWs) bands (ev): -2.6394 -2.6372 -2.6362 -2.6332 -2.6292 -2.6253 -2.6207 -2.6178 -2.2008 -2.2007 -2.1976 -2.1931 -2.1925 -2.1835 -2.1731 -2.1547 -2.1410 -2.1360 -2.1325 -2.1317 4.2059 4.3613 4.9520 5.2497 5.9900 6.0463 6.1009 6.1256 6.1346 6.1721 6.5309 6.5921 6.6897 6.8411 6.8530 7.0645 7.2429 7.4271 7.6182 7.6274 7.6876 7.7731 8.1412 8.2776 8.4279 8.5522 8.6235 8.6801 9.0632 9.2772 10.5920 10.8448 10.9630 10.9990 11.7959 11.8020 12.9125 12.9226 13.0384 13.1361 13.1881 13.1897 14.2284 14.2499 14.4267 14.5090 14.9800 15.1134 k = 0.3333 0.5774 0.2028 ( 4389 PWs) bands (ev): -2.6394 -2.6371 -2.6358 -2.6330 -2.6292 -2.6253 -2.6206 -2.6180 -2.2006 -2.2005 -2.1976 -2.1927 -2.1923 -2.1834 -2.1733 -2.1547 -2.1412 -2.1367 -2.1330 -2.1323 4.2259 4.3793 4.9203 5.2179 6.0019 6.0524 6.1208 6.1300 6.1585 6.1738 6.5299 6.5918 6.6947 6.8479 6.8578 7.0741 7.2561 7.4197 7.5974 7.6179 7.6837 7.7668 8.1387 8.2740 8.4226 8.5494 8.5613 8.6169 9.1169 9.3375 10.5202 10.8803 10.8833 11.0464 11.8318 11.8409 12.9702 12.9807 13.0040 13.1129 13.1230 13.1456 14.2593 14.2803 14.3644 14.4419 15.0221 15.0905 k = 0.3333 0.5774 0.2163 ( 4377 PWs) bands (ev): -2.6393 -2.6371 -2.6354 -2.6328 -2.6292 -2.6253 -2.6203 -2.6180 -2.2004 -2.2003 -2.1974 -2.1923 -2.1918 -2.1833 -2.1735 -2.1546 -2.1414 -2.1372 -2.1333 -2.1328 4.2464 4.3975 4.8887 5.1868 6.0139 6.0581 6.1342 6.1384 6.1753 6.1817 6.5313 6.5926 6.6998 6.8544 6.8618 7.0830 7.2690 7.4128 7.5770 7.6083 7.6802 7.7607 8.1368 8.2708 8.4105 8.4799 8.5575 8.5764 9.1725 9.3995 10.4468 10.8029 10.9160 11.0940 11.8649 11.8760 12.9613 13.0244 13.0303 13.0574 13.1112 13.1139 14.2757 14.3103 14.3131 14.3723 15.0588 15.0659 k = 0.3333 0.5774 0.2298 ( 4380 PWs) bands (ev): -2.6393 -2.6370 -2.6351 -2.6326 -2.6292 -2.6253 -2.6202 -2.6181 -2.2002 -2.2001 -2.1974 -2.1921 -2.1913 -2.1832 -2.1737 -2.1546 -2.1416 -2.1378 -2.1337 -2.1333 4.2673 4.4156 4.8578 5.1569 6.0259 6.0633 6.1384 6.1530 6.1764 6.2037 6.5353 6.5947 6.7049 6.8603 6.8648 7.0910 7.2815 7.4065 7.5570 7.5987 7.6772 7.7549 8.1355 8.2680 8.3872 8.4159 8.5235 8.5810 9.2297 9.4626 10.3726 10.7226 10.9512 11.1410 11.8946 11.9073 12.9136 12.9661 13.0876 13.0919 13.1056 13.1094 14.2216 14.3010 14.3292 14.3397 15.0335 15.0592 k = 0.3333 0.5774 0.2434 ( 4377 PWs) bands (ev): -2.6394 -2.6369 -2.6348 -2.6324 -2.6291 -2.6252 -2.6201 -2.6182 -2.2000 -2.1999 -2.1973 -2.1919 -2.1909 -2.1830 -2.1739 -2.1546 -2.1417 -2.1383 -2.1341 -2.1338 4.2881 4.4331 4.8280 5.1289 6.0377 6.0680 6.1422 6.1642 6.1771 6.2237 6.5416 6.5979 6.7098 6.8656 6.8669 7.0982 7.2935 7.4009 7.5377 7.5896 7.6748 7.7495 8.1347 8.2656 8.3528 8.3582 8.5028 8.5879 9.2880 9.5263 10.2986 10.6433 10.9848 11.1861 11.9208 11.9346 12.8656 12.9022 13.0763 13.0886 13.1591 13.1731 14.1526 14.2289 14.3571 14.3678 15.0066 15.0321 k = 0.3333 0.5774 0.2569 ( 4380 PWs) bands (ev): -2.6394 -2.6369 -2.6345 -2.6323 -2.6291 -2.6252 -2.6200 -2.6184 -2.1998 -2.1998 -2.1972 -2.1918 -2.1905 -2.1829 -2.1740 -2.1546 -2.1419 -2.1387 -2.1344 -2.1343 4.3082 4.4497 4.8000 5.1032 6.0491 6.0721 6.1458 6.1719 6.1776 6.2413 6.5498 6.6022 6.7143 6.8680 6.8701 7.1043 7.3048 7.3962 7.5194 7.5812 7.6729 7.7446 8.1342 8.2635 8.3077 8.3139 8.4927 8.5941 9.3465 9.5897 10.2262 10.5662 11.0158 11.2283 11.9432 11.9579 12.8204 12.8438 13.0648 13.0809 13.2237 13.2377 14.0822 14.1572 14.3840 14.3941 14.9813 15.0067 k = 0.3333 0.5774 0.2704 ( 4380 PWs) bands (ev): -2.6393 -2.6369 -2.6343 -2.6322 -2.6291 -2.6253 -2.6199 -2.6184 -2.1997 -2.1996 -2.1972 -2.1917 -2.1901 -2.1829 -2.1741 -2.1545 -2.1420 -2.1392 -2.1346 -2.1346 4.3271 4.4646 4.7746 5.0807 6.0596 6.0755 6.1490 6.1764 6.1779 6.2560 6.5591 6.6071 6.7183 6.8684 6.8738 7.1094 7.3154 7.3923 7.5024 7.5738 7.6716 7.7405 8.1339 8.2618 8.2652 8.2770 8.4878 8.5992 9.4040 9.6513 10.1569 10.4931 11.0433 11.2660 11.9616 11.9771 12.7804 12.7928 13.0561 13.0742 13.2883 13.3013 14.0126 14.0876 14.4083 14.4178 14.9584 14.9838 k = 0.3333 0.5774 0.2839 ( 4386 PWs) bands (ev): -2.6393 -2.6369 -2.6341 -2.6321 -2.6291 -2.6253 -2.6199 -2.6185 -2.1997 -2.1995 -2.1971 -2.1916 -2.1899 -2.1829 -2.1742 -2.1545 -2.1421 -2.1395 -2.1349 -2.1348 4.3437 4.4772 4.7528 5.0621 6.0688 6.0783 6.1516 6.1779 6.1785 6.2676 6.5681 6.6120 6.7217 6.8682 6.8765 7.1133 7.3248 7.3894 7.4874 7.5678 7.6707 7.7372 8.1338 8.2313 8.2457 8.2605 8.4854 8.6033 9.4583 9.7087 10.0931 10.4265 11.0661 11.2977 11.9760 11.9921 12.7474 12.7507 13.0498 13.0690 13.3505 13.3614 13.9462 14.0226 14.4289 14.4380 14.9388 14.9643 k = 0.3333 0.5774 0.2974 ( 4392 PWs) bands (ev): -2.6394 -2.6369 -2.6339 -2.6320 -2.6291 -2.6253 -2.6199 -2.6186 -2.1996 -2.1994 -2.1971 -2.1916 -2.1897 -2.1829 -2.1743 -2.1545 -2.1422 -2.1398 -2.1352 -2.1351 4.3569 4.4868 4.7358 5.0481 6.0761 6.0803 6.1537 6.1778 6.1790 6.2759 6.5757 6.6162 6.7241 6.8678 6.8784 7.1161 7.3325 7.3873 7.4753 7.5633 7.6702 7.7348 8.1337 8.2067 8.2222 8.2595 8.4843 8.6062 9.5056 9.7577 10.0389 10.3708 11.0832 11.3218 11.9864 12.0029 12.7191 12.7227 13.0454 13.0652 13.4064 13.4137 13.8872 13.9667 14.4447 14.4535 14.9237 14.9492 k = 0.3333 0.5774 0.3110 ( 4392 PWs) bands (ev): -2.6394 -2.6369 -2.6339 -2.6320 -2.6291 -2.6253 -2.6198 -2.6187 -2.1995 -2.1994 -2.1971 -2.1915 -2.1896 -2.1829 -2.1743 -2.1545 -2.1423 -2.1399 -2.1353 -2.1351 4.3655 4.4929 4.7250 5.0394 6.0809 6.0815 6.1550 6.1777 6.1788 6.2808 6.5808 6.6191 6.7257 6.8674 6.8796 7.1178 7.3377 7.3861 7.4673 7.5605 7.6700 7.7333 8.1337 8.1917 8.2075 8.2589 8.4837 8.6080 9.5395 9.7923 10.0007 10.3322 11.0939 11.3369 11.9926 12.0095 12.6996 12.7074 13.0428 13.0629 13.4484 13.4515 13.8433 13.9268 14.4548 14.4634 14.9141 14.9397 k = 0.3333 0.5774 0.3245 ( 4386 PWs) bands (ev): -2.6394 -2.6368 -2.6338 -2.6319 -2.6291 -2.6253 -2.6198 -2.6187 -2.1994 -2.1993 -2.1971 -2.1915 -2.1895 -2.1828 -2.1743 -2.1545 -2.1422 -2.1398 -2.1354 -2.1352 4.3685 4.4950 4.7212 5.0364 6.0819 6.0826 6.1554 6.1776 6.1786 6.2825 6.5826 6.6202 6.7262 6.8672 6.8799 7.1184 7.3396 7.3857 7.4645 7.5595 7.6700 7.7328 8.1337 8.1867 8.2026 8.2587 8.4836 8.6085 9.5522 9.8050 9.9866 10.3181 11.0975 11.3421 11.9947 12.0116 12.6929 12.7023 13.0420 13.0621 13.4647 13.4656 13.8263 13.9119 14.4582 14.4668 14.9108 14.9364 Writing output data file ZrGaAu.save init_run : 2.57s CPU 13.64s WALL ( 1 calls) electrons : 1224.43s CPU 1235.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.25s CPU 1.43s WALL ( 1 calls) Called by electrons: c_bands : 1224.40s CPU 1234.62s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.95s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.56s WALL ( 1 calls) newd : 0.62s CPU 0.73s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 313 calls) cegterg : 1166.13s CPU 1173.25s WALL ( 714 calls) Called by sum_band: Called by *egterg: h_psi : 468.09s CPU 477.44s WALL ( 13134 calls) s_psi : 52.28s CPU 52.95s WALL ( 13134 calls) g_psi : 1.03s CPU 1.04s WALL ( 12107 calls) cdiaghg : 476.42s CPU 474.13s WALL ( 12420 calls) cegterg:over : 112.98s CPU 110.10s WALL ( 12107 calls) cegterg:upda : 22.90s CPU 26.18s WALL ( 12107 calls) cegterg:last : 20.25s CPU 20.99s WALL ( 2279 calls) Called by h_psi: h_psi:vloc : 359.67s CPU 367.01s WALL ( 13134 calls) h_psi:vnl : 108.05s CPU 109.47s WALL ( 13134 calls) add_vuspsi : 39.41s CPU 43.52s WALL ( 13134 calls) General routines calbec : 68.61s CPU 65.80s WALL ( 13134 calls) fft : 0.28s CPU 1.22s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 339.80s CPU 345.93s WALL ( 1880948 calls) interpolate : 0.02s CPU 0.03s WALL ( 4 calls) davcio : 0.02s CPU 1.75s WALL ( 626 calls) Parallel routines fft_scatter : 211.17s CPU 211.06s WALL ( 1880971 calls) PWSCF : 21m38.89s CPU 24m18.69s WALL This run was terminated on: 7:51: 9 12Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=