Program PWSCF v.5.1.1 starts on 11Nov2015 at 13:10: 8 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: ./CaxAsO3x2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 38 22 6 1413 616 98 Max 40 23 7 1417 643 103 Sum 1867 1069 313 67873 30029 4823 bravais-lattice index = 14 lattice parameter (alat) = 9.1160 a.u. unit-cell volume = 690.8845 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.116038 celldm(2)= 1.000000 celldm(3)= 1.053068 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 1.053068 ) 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 0.949606 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) As 5.00 74.92160 As( 1.00) Ca 10.00 40.07800 Ca( 1.00) 6 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 ) double point group D_3 (32) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 3C2' 2 -6 -5 2C3 3 4 3C2' 5 6 -2 -E -1 -2C3 -3 -4 Cartesian axes number of k points= 310 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0131579 0.0075967 -0.0000000), wk = 0.0032258 k( 3) = ( 0.0263158 0.0151934 -0.0000000), wk = 0.0032258 k( 4) = ( 0.0394737 0.0227901 -0.0000000), wk = 0.0032258 k( 5) = ( 0.0526316 0.0303869 -0.0000000), wk = 0.0032258 k( 6) = ( 0.0657895 0.0379836 -0.0000000), wk = 0.0032258 k( 7) = ( 0.0789474 0.0455803 -0.0000000), wk = 0.0032258 k( 8) = ( 0.0921053 0.0531770 -0.0000000), wk = 0.0032258 k( 9) = ( 0.1052632 0.0607737 -0.0000000), wk = 0.0032258 k( 10) = ( 0.1184210 0.0683704 -0.0000000), wk = 0.0032258 k( 11) = ( 0.1315790 0.0759671 -0.0000000), wk = 0.0032258 k( 12) = ( 0.1447368 0.0835639 -0.0000000), wk = 0.0032258 k( 13) = ( 0.1578947 0.0911606 -0.0000000), wk = 0.0032258 k( 14) = ( 0.1710526 0.0987573 -0.0000000), wk = 0.0032258 k( 15) = ( 0.1842105 0.1063540 -0.0000000), wk = 0.0032258 k( 16) = ( 0.1973684 0.1139507 -0.0000000), wk = 0.0032258 k( 17) = ( 0.2105263 0.1215474 -0.0000000), wk = 0.0032258 k( 18) = ( 0.2236842 0.1291441 -0.0000000), wk = 0.0032258 k( 19) = ( 0.2368421 0.1367409 -0.0000000), wk = 0.0032258 k( 20) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0032258 k( 21) = ( 0.2631579 0.1519343 -0.0000000), wk = 0.0032258 k( 22) = ( 0.2763158 0.1595310 -0.0000000), wk = 0.0032258 k( 23) = ( 0.2894737 0.1671277 -0.0000000), wk = 0.0032258 k( 24) = ( 0.3026316 0.1747244 -0.0000000), wk = 0.0032258 k( 25) = ( 0.3157895 0.1823211 -0.0000000), wk = 0.0032258 k( 26) = ( 0.3289474 0.1899179 -0.0000000), wk = 0.0032258 k( 27) = ( 0.3421053 0.1975146 -0.0000000), wk = 0.0032258 k( 28) = ( 0.3552632 0.2051113 -0.0000000), wk = 0.0032258 k( 29) = ( 0.3684211 0.2127080 -0.0000000), wk = 0.0032258 k( 30) = ( 0.3815789 0.2203047 -0.0000000), wk = 0.0032258 k( 31) = ( 0.3947368 0.2279014 -0.0000000), wk = 0.0032258 k( 32) = ( 0.4078947 0.2354981 -0.0000000), wk = 0.0032258 k( 33) = ( 0.4210526 0.2430948 -0.0000000), wk = 0.0032258 k( 34) = ( 0.4342105 0.2506916 -0.0000000), wk = 0.0032258 k( 35) = ( 0.4473684 0.2582883 -0.0000000), wk = 0.0032258 k( 36) = ( 0.4605263 0.2658850 -0.0000000), wk = 0.0032258 k( 37) = ( 0.4736842 0.2734817 -0.0000000), wk = 0.0032258 k( 38) = ( 0.4868421 0.2810784 -0.0000000), wk = 0.0032258 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032258 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032258 k( 41) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0032258 k( 42) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0032258 k( 43) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0032258 k( 44) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0032258 k( 45) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0032258 k( 46) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0032258 k( 47) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0032258 k( 48) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0032258 k( 49) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0032258 k( 50) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0032258 k( 51) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0032258 k( 52) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0032258 k( 53) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0032258 k( 54) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0032258 k( 55) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0032258 k( 56) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0032258 k( 57) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0032258 k( 58) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0032258 k( 59) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0032258 k( 60) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0032258 k( 61) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0032258 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032258 k( 63) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032258 k( 64) = ( 0.3257576 0.5642287 -0.0000000), wk = 0.0032258 k( 65) = ( 0.3181818 0.5511071 -0.0000000), wk = 0.0032258 k( 66) = ( 0.3106061 0.5379855 -0.0000000), wk = 0.0032258 k( 67) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0032258 k( 68) = ( 0.2954545 0.5117423 -0.0000000), wk = 0.0032258 k( 69) = ( 0.2878788 0.4986207 -0.0000000), wk = 0.0032258 k( 70) = ( 0.2803030 0.4854991 -0.0000000), wk = 0.0032258 k( 71) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0032258 k( 72) = ( 0.2651515 0.4592559 -0.0000000), wk = 0.0032258 k( 73) = ( 0.2575758 0.4461343 -0.0000000), wk = 0.0032258 k( 74) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0032258 k( 75) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0032258 k( 76) = ( 0.2348485 0.4067695 -0.0000000), wk = 0.0032258 k( 77) = ( 0.2272727 0.3936479 -0.0000000), wk = 0.0032258 k( 78) = ( 0.2196970 0.3805263 -0.0000000), wk = 0.0032258 k( 79) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0032258 k( 80) = ( 0.2045454 0.3542831 -0.0000000), wk = 0.0032258 k( 81) = ( 0.1969697 0.3411615 -0.0000000), wk = 0.0032258 k( 82) = ( 0.1893939 0.3280399 -0.0000000), wk = 0.0032258 k( 83) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0032258 k( 84) = ( 0.1742424 0.3017967 -0.0000000), wk = 0.0032258 k( 85) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0032258 k( 86) = ( 0.1590909 0.2755535 -0.0000000), wk = 0.0032258 k( 87) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0032258 k( 88) = ( 0.1439394 0.2493103 -0.0000000), wk = 0.0032258 k( 89) = ( 0.1363636 0.2361888 -0.0000000), wk = 0.0032258 k( 90) = ( 0.1287879 0.2230672 -0.0000000), wk = 0.0032258 k( 91) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0032258 k( 92) = ( 0.1136364 0.1968239 -0.0000000), wk = 0.0032258 k( 93) = ( 0.1060606 0.1837024 -0.0000000), wk = 0.0032258 k( 94) = ( 0.0984848 0.1705808 -0.0000000), wk = 0.0032258 k( 95) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0032258 k( 96) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0032258 k( 97) = ( 0.0757576 0.1312160 -0.0000000), wk = 0.0032258 k( 98) = ( 0.0681818 0.1180944 -0.0000000), wk = 0.0032258 k( 99) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0032258 k( 100) = ( 0.0530303 0.0918512 -0.0000000), wk = 0.0032258 k( 101) = ( 0.0454546 0.0787296 -0.0000000), wk = 0.0032258 k( 102) = ( 0.0378788 0.0656080 -0.0000000), wk = 0.0032258 k( 103) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0032258 k( 104) = ( 0.0227273 0.0393648 -0.0000000), wk = 0.0032258 k( 105) = ( 0.0151515 0.0262432 -0.0000000), wk = 0.0032258 k( 106) = ( 0.0075758 0.0131216 -0.0000000), wk = 0.0032258 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 109) = ( 0.0000000 0.0000000 0.0153162), wk = 0.0032258 k( 110) = ( 0.0000000 0.0000000 0.0306325), wk = 0.0032258 k( 111) = ( 0.0000000 0.0000000 0.0459487), wk = 0.0032258 k( 112) = ( 0.0000000 0.0000000 0.0612649), wk = 0.0032258 k( 113) = ( 0.0000000 0.0000000 0.0765812), wk = 0.0032258 k( 114) = ( 0.0000000 0.0000000 0.0918974), wk = 0.0032258 k( 115) = ( 0.0000000 0.0000000 0.1072136), wk = 0.0032258 k( 116) = ( 0.0000000 0.0000000 0.1225298), wk = 0.0032258 k( 117) = ( 0.0000000 0.0000000 0.1378461), wk = 0.0032258 k( 118) = ( 0.0000000 0.0000000 0.1531623), wk = 0.0032258 k( 119) = ( 0.0000000 0.0000000 0.1684785), wk = 0.0032258 k( 120) = ( 0.0000000 0.0000000 0.1837948), wk = 0.0032258 k( 121) = ( 0.0000000 0.0000000 0.1991110), wk = 0.0032258 k( 122) = ( 0.0000000 0.0000000 0.2144272), wk = 0.0032258 k( 123) = ( 0.0000000 0.0000000 0.2297435), wk = 0.0032258 k( 124) = ( 0.0000000 0.0000000 0.2450597), wk = 0.0032258 k( 125) = ( 0.0000000 0.0000000 0.2603759), wk = 0.0032258 k( 126) = ( 0.0000000 0.0000000 0.2756922), wk = 0.0032258 k( 127) = ( 0.0000000 0.0000000 0.2910084), wk = 0.0032258 k( 128) = ( 0.0000000 0.0000000 0.3063246), wk = 0.0032258 k( 129) = ( 0.0000000 0.0000000 0.3216408), wk = 0.0032258 k( 130) = ( 0.0000000 0.0000000 0.3369571), wk = 0.0032258 k( 131) = ( 0.0000000 0.0000000 0.3522733), wk = 0.0032258 k( 132) = ( 0.0000000 0.0000000 0.3675895), wk = 0.0032258 k( 133) = ( 0.0000000 0.0000000 0.3829058), wk = 0.0032258 k( 134) = ( 0.0000000 0.0000000 0.3982220), wk = 0.0032258 k( 135) = ( 0.0000000 0.0000000 0.4135382), wk = 0.0032258 k( 136) = ( 0.0000000 0.0000000 0.4288545), wk = 0.0032258 k( 137) = ( 0.0000000 0.0000000 0.4441707), wk = 0.0032258 k( 138) = ( 0.0000000 0.0000000 0.4594869), wk = 0.0032258 k( 139) = ( 0.0000000 0.0000000 0.4748031), wk = 0.0032258 k( 140) = ( 0.0000000 0.0000000 0.4748031), wk = 0.0032258 k( 141) = ( 0.0131579 0.0075967 0.4748031), wk = 0.0032258 k( 142) = ( 0.0263158 0.0151934 0.4748031), wk = 0.0032258 k( 143) = ( 0.0394737 0.0227901 0.4748031), wk = 0.0032258 k( 144) = ( 0.0526316 0.0303869 0.4748031), wk = 0.0032258 k( 145) = ( 0.0657895 0.0379836 0.4748031), wk = 0.0032258 k( 146) = ( 0.0789474 0.0455803 0.4748031), wk = 0.0032258 k( 147) = ( 0.0921053 0.0531770 0.4748031), wk = 0.0032258 k( 148) = ( 0.1052632 0.0607737 0.4748031), wk = 0.0032258 k( 149) = ( 0.1184210 0.0683704 0.4748031), wk = 0.0032258 k( 150) = ( 0.1315790 0.0759671 0.4748031), wk = 0.0032258 k( 151) = ( 0.1447368 0.0835639 0.4748031), wk = 0.0032258 k( 152) = ( 0.1578947 0.0911606 0.4748031), wk = 0.0032258 k( 153) = ( 0.1710526 0.0987573 0.4748031), wk = 0.0032258 k( 154) = ( 0.1842105 0.1063540 0.4748031), wk = 0.0032258 k( 155) = ( 0.1973684 0.1139507 0.4748031), wk = 0.0032258 k( 156) = ( 0.2105263 0.1215474 0.4748031), wk = 0.0032258 k( 157) = ( 0.2236842 0.1291441 0.4748031), wk = 0.0032258 k( 158) = ( 0.2368421 0.1367409 0.4748031), wk = 0.0032258 k( 159) = ( 0.2500000 0.1443376 0.4748031), wk = 0.0032258 k( 160) = ( 0.2631579 0.1519343 0.4748031), wk = 0.0032258 k( 161) = ( 0.2763158 0.1595310 0.4748031), wk = 0.0032258 k( 162) = ( 0.2894737 0.1671277 0.4748031), wk = 0.0032258 k( 163) = ( 0.3026316 0.1747244 0.4748031), wk = 0.0032258 k( 164) = ( 0.3157895 0.1823211 0.4748031), wk = 0.0032258 k( 165) = ( 0.3289474 0.1899179 0.4748031), wk = 0.0032258 k( 166) = ( 0.3421053 0.1975146 0.4748031), wk = 0.0032258 k( 167) = ( 0.3552632 0.2051113 0.4748031), wk = 0.0032258 k( 168) = ( 0.3684211 0.2127080 0.4748031), wk = 0.0032258 k( 169) = ( 0.3815789 0.2203047 0.4748031), wk = 0.0032258 k( 170) = ( 0.3947368 0.2279014 0.4748031), wk = 0.0032258 k( 171) = ( 0.4078947 0.2354981 0.4748031), wk = 0.0032258 k( 172) = ( 0.4210526 0.2430948 0.4748031), wk = 0.0032258 k( 173) = ( 0.4342105 0.2506916 0.4748031), wk = 0.0032258 k( 174) = ( 0.4473684 0.2582883 0.4748031), wk = 0.0032258 k( 175) = ( 0.4605263 0.2658850 0.4748031), wk = 0.0032258 k( 176) = ( 0.4736842 0.2734817 0.4748031), wk = 0.0032258 k( 177) = ( 0.4868421 0.2810784 0.4748031), wk = 0.0032258 k( 178) = ( 0.5000000 0.2886751 0.4748031), wk = 0.0032258 k( 179) = ( 0.5000000 0.2886751 0.4748031), wk = 0.0032258 k( 180) = ( 0.4924242 0.3017967 0.4748031), wk = 0.0032258 k( 181) = ( 0.4848485 0.3149183 0.4748031), wk = 0.0032258 k( 182) = ( 0.4772727 0.3280399 0.4748031), wk = 0.0032258 k( 183) = ( 0.4696970 0.3411615 0.4748031), wk = 0.0032258 k( 184) = ( 0.4621212 0.3542831 0.4748031), wk = 0.0032258 k( 185) = ( 0.4545455 0.3674047 0.4748031), wk = 0.0032258 k( 186) = ( 0.4469697 0.3805263 0.4748031), wk = 0.0032258 k( 187) = ( 0.4393939 0.3936479 0.4748031), wk = 0.0032258 k( 188) = ( 0.4318182 0.4067695 0.4748031), wk = 0.0032258 k( 189) = ( 0.4242424 0.4198911 0.4748031), wk = 0.0032258 k( 190) = ( 0.4166667 0.4330127 0.4748031), wk = 0.0032258 k( 191) = ( 0.4090909 0.4461343 0.4748031), wk = 0.0032258 k( 192) = ( 0.4015151 0.4592559 0.4748031), wk = 0.0032258 k( 193) = ( 0.3939394 0.4723775 0.4748031), wk = 0.0032258 k( 194) = ( 0.3863636 0.4854991 0.4748031), wk = 0.0032258 k( 195) = ( 0.3787879 0.4986207 0.4748031), wk = 0.0032258 k( 196) = ( 0.3712121 0.5117423 0.4748031), wk = 0.0032258 k( 197) = ( 0.3636364 0.5248639 0.4748031), wk = 0.0032258 k( 198) = ( 0.3560606 0.5379855 0.4748031), wk = 0.0032258 k( 199) = ( 0.3484849 0.5511071 0.4748031), wk = 0.0032258 k( 200) = ( 0.3409091 0.5642287 0.4748031), wk = 0.0032258 k( 201) = ( 0.3333333 0.5773503 0.4748031), wk = 0.0032258 k( 202) = ( 0.3333333 0.5773503 0.4748031), wk = 0.0032258 k( 203) = ( 0.3257576 0.5642287 0.4748031), wk = 0.0032258 k( 204) = ( 0.3181818 0.5511071 0.4748031), wk = 0.0032258 k( 205) = ( 0.3106061 0.5379855 0.4748031), wk = 0.0032258 k( 206) = ( 0.3030303 0.5248639 0.4748031), wk = 0.0032258 k( 207) = ( 0.2954545 0.5117423 0.4748031), wk = 0.0032258 k( 208) = ( 0.2878788 0.4986207 0.4748031), wk = 0.0032258 k( 209) = ( 0.2803030 0.4854991 0.4748031), wk = 0.0032258 k( 210) = ( 0.2727273 0.4723775 0.4748031), wk = 0.0032258 k( 211) = ( 0.2651515 0.4592559 0.4748031), wk = 0.0032258 k( 212) = ( 0.2575758 0.4461343 0.4748031), wk = 0.0032258 k( 213) = ( 0.2500000 0.4330127 0.4748031), wk = 0.0032258 k( 214) = ( 0.2424242 0.4198911 0.4748031), wk = 0.0032258 k( 215) = ( 0.2348485 0.4067695 0.4748031), wk = 0.0032258 k( 216) = ( 0.2272727 0.3936479 0.4748031), wk = 0.0032258 k( 217) = ( 0.2196970 0.3805263 0.4748031), wk = 0.0032258 k( 218) = ( 0.2121212 0.3674047 0.4748031), wk = 0.0032258 k( 219) = ( 0.2045454 0.3542831 0.4748031), wk = 0.0032258 k( 220) = ( 0.1969697 0.3411615 0.4748031), wk = 0.0032258 k( 221) = ( 0.1893939 0.3280399 0.4748031), wk = 0.0032258 k( 222) = ( 0.1818182 0.3149183 0.4748031), wk = 0.0032258 k( 223) = ( 0.1742424 0.3017967 0.4748031), wk = 0.0032258 k( 224) = ( 0.1666667 0.2886751 0.4748031), wk = 0.0032258 k( 225) = ( 0.1590909 0.2755535 0.4748031), wk = 0.0032258 k( 226) = ( 0.1515151 0.2624319 0.4748031), wk = 0.0032258 k( 227) = ( 0.1439394 0.2493103 0.4748031), wk = 0.0032258 k( 228) = ( 0.1363636 0.2361888 0.4748031), wk = 0.0032258 k( 229) = ( 0.1287879 0.2230672 0.4748031), wk = 0.0032258 k( 230) = ( 0.1212121 0.2099456 0.4748031), wk = 0.0032258 k( 231) = ( 0.1136364 0.1968239 0.4748031), wk = 0.0032258 k( 232) = ( 0.1060606 0.1837024 0.4748031), wk = 0.0032258 k( 233) = ( 0.0984848 0.1705808 0.4748031), wk = 0.0032258 k( 234) = ( 0.0909091 0.1574592 0.4748031), wk = 0.0032258 k( 235) = ( 0.0833333 0.1443376 0.4748031), wk = 0.0032258 k( 236) = ( 0.0757576 0.1312160 0.4748031), wk = 0.0032258 k( 237) = ( 0.0681818 0.1180944 0.4748031), wk = 0.0032258 k( 238) = ( 0.0606061 0.1049728 0.4748031), wk = 0.0032258 k( 239) = ( 0.0530303 0.0918512 0.4748031), wk = 0.0032258 k( 240) = ( 0.0454546 0.0787296 0.4748031), wk = 0.0032258 k( 241) = ( 0.0378788 0.0656080 0.4748031), wk = 0.0032258 k( 242) = ( 0.0303030 0.0524864 0.4748031), wk = 0.0032258 k( 243) = ( 0.0227273 0.0393648 0.4748031), wk = 0.0032258 k( 244) = ( 0.0151515 0.0262432 0.4748031), wk = 0.0032258 k( 245) = ( 0.0075758 0.0131216 0.4748031), wk = 0.0032258 k( 246) = ( 0.0000000 0.0000000 0.4748031), wk = 0.0032258 k( 247) = ( 0.5000000 0.2886751 0.4748031), wk = 0.0032258 k( 248) = ( 0.5000000 0.2886751 0.4594869), wk = 0.0032258 k( 249) = ( 0.5000000 0.2886751 0.4441707), wk = 0.0032258 k( 250) = ( 0.5000000 0.2886751 0.4288545), wk = 0.0032258 k( 251) = ( 0.5000000 0.2886751 0.4135382), wk = 0.0032258 k( 252) = ( 0.5000000 0.2886751 0.3982220), wk = 0.0032258 k( 253) = ( 0.5000000 0.2886751 0.3829058), wk = 0.0032258 k( 254) = ( 0.5000000 0.2886751 0.3675895), wk = 0.0032258 k( 255) = ( 0.5000000 0.2886751 0.3522733), wk = 0.0032258 k( 256) = ( 0.5000000 0.2886751 0.3369571), wk = 0.0032258 k( 257) = ( 0.5000000 0.2886751 0.3216408), wk = 0.0032258 k( 258) = ( 0.5000000 0.2886751 0.3063246), wk = 0.0032258 k( 259) = ( 0.5000000 0.2886751 0.2910084), wk = 0.0032258 k( 260) = ( 0.5000000 0.2886751 0.2756922), wk = 0.0032258 k( 261) = ( 0.5000000 0.2886751 0.2603759), wk = 0.0032258 k( 262) = ( 0.5000000 0.2886751 0.2450597), wk = 0.0032258 k( 263) = ( 0.5000000 0.2886751 0.2297435), wk = 0.0032258 k( 264) = ( 0.5000000 0.2886751 0.2144272), wk = 0.0032258 k( 265) = ( 0.5000000 0.2886751 0.1991110), wk = 0.0032258 k( 266) = ( 0.5000000 0.2886751 0.1837948), wk = 0.0032258 k( 267) = ( 0.5000000 0.2886751 0.1684785), wk = 0.0032258 k( 268) = ( 0.5000000 0.2886751 0.1531623), wk = 0.0032258 k( 269) = ( 0.5000000 0.2886751 0.1378461), wk = 0.0032258 k( 270) = ( 0.5000000 0.2886751 0.1225298), wk = 0.0032258 k( 271) = ( 0.5000000 0.2886751 0.1072136), wk = 0.0032258 k( 272) = ( 0.5000000 0.2886751 0.0918974), wk = 0.0032258 k( 273) = ( 0.5000000 0.2886751 0.0765812), wk = 0.0032258 k( 274) = ( 0.5000000 0.2886751 0.0612649), wk = 0.0032258 k( 275) = ( 0.5000000 0.2886751 0.0459487), wk = 0.0032258 k( 276) = ( 0.5000000 0.2886751 0.0306325), wk = 0.0032258 k( 277) = ( 0.5000000 0.2886751 0.0153162), wk = 0.0032258 k( 278) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032258 k( 279) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032258 k( 280) = ( 0.3333333 0.5773503 0.0153162), wk = 0.0032258 k( 281) = ( 0.3333333 0.5773503 0.0306325), wk = 0.0032258 k( 282) = ( 0.3333333 0.5773503 0.0459487), wk = 0.0032258 k( 283) = ( 0.3333333 0.5773503 0.0612649), wk = 0.0032258 k( 284) = ( 0.3333333 0.5773503 0.0765812), wk = 0.0032258 k( 285) = ( 0.3333333 0.5773503 0.0918974), wk = 0.0032258 k( 286) = ( 0.3333333 0.5773503 0.1072136), wk = 0.0032258 k( 287) = ( 0.3333333 0.5773503 0.1225298), wk = 0.0032258 k( 288) = ( 0.3333333 0.5773503 0.1378461), wk = 0.0032258 k( 289) = ( 0.3333333 0.5773503 0.1531623), wk = 0.0032258 k( 290) = ( 0.3333333 0.5773503 0.1684785), wk = 0.0032258 k( 291) = ( 0.3333333 0.5773503 0.1837948), wk = 0.0032258 k( 292) = ( 0.3333333 0.5773503 0.1991110), wk = 0.0032258 k( 293) = ( 0.3333333 0.5773503 0.2144272), wk = 0.0032258 k( 294) = ( 0.3333333 0.5773503 0.2297435), wk = 0.0032258 k( 295) = ( 0.3333333 0.5773503 0.2450597), wk = 0.0032258 k( 296) = ( 0.3333333 0.5773503 0.2603759), wk = 0.0032258 k( 297) = ( 0.3333333 0.5773503 0.2756922), wk = 0.0032258 k( 298) = ( 0.3333333 0.5773503 0.2910084), wk = 0.0032258 k( 299) = ( 0.3333333 0.5773503 0.3063246), wk = 0.0032258 k( 300) = ( 0.3333333 0.5773503 0.3216408), wk = 0.0032258 k( 301) = ( 0.3333333 0.5773503 0.3369571), wk = 0.0032258 k( 302) = ( 0.3333333 0.5773503 0.3522733), wk = 0.0032258 k( 303) = ( 0.3333333 0.5773503 0.3675895), wk = 0.0032258 k( 304) = ( 0.3333333 0.5773503 0.3829058), wk = 0.0032258 k( 305) = ( 0.3333333 0.5773503 0.3982220), wk = 0.0032258 k( 306) = ( 0.3333333 0.5773503 0.4135382), wk = 0.0032258 k( 307) = ( 0.3333333 0.5773503 0.4288545), wk = 0.0032258 k( 308) = ( 0.3333333 0.5773503 0.4441707), wk = 0.0032258 k( 309) = ( 0.3333333 0.5773503 0.4594869), wk = 0.0032258 k( 310) = ( 0.3333333 0.5773503 0.4748031), wk = 0.0032258 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0131579 0.0000000 -0.0000000), wk = 0.0032258 k( 3) = ( 0.0263158 0.0000000 0.0000000), wk = 0.0032258 k( 4) = ( 0.0394737 0.0000000 0.0000000), wk = 0.0032258 k( 5) = ( 0.0526316 0.0000000 0.0000000), wk = 0.0032258 k( 6) = ( 0.0657895 0.0000000 0.0000000), wk = 0.0032258 k( 7) = ( 0.0789474 0.0000000 0.0000000), wk = 0.0032258 k( 8) = ( 0.0921053 0.0000000 0.0000000), wk = 0.0032258 k( 9) = ( 0.1052632 0.0000000 0.0000000), wk = 0.0032258 k( 10) = ( 0.1184210 -0.0000000 0.0000000), wk = 0.0032258 k( 11) = ( 0.1315790 0.0000000 0.0000000), wk = 0.0032258 k( 12) = ( 0.1447368 0.0000000 0.0000000), wk = 0.0032258 k( 13) = ( 0.1578947 0.0000000 0.0000000), wk = 0.0032258 k( 14) = ( 0.1710526 0.0000000 0.0000000), wk = 0.0032258 k( 15) = ( 0.1842105 0.0000000 -0.0000000), wk = 0.0032258 k( 16) = ( 0.1973684 0.0000000 0.0000000), wk = 0.0032258 k( 17) = ( 0.2105263 0.0000000 0.0000000), wk = 0.0032258 k( 18) = ( 0.2236842 0.0000000 -0.0000000), wk = 0.0032258 k( 19) = ( 0.2368421 0.0000000 0.0000000), wk = 0.0032258 k( 20) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0032258 k( 21) = ( 0.2631579 0.0000000 0.0000000), wk = 0.0032258 k( 22) = ( 0.2763158 0.0000000 0.0000000), wk = 0.0032258 k( 23) = ( 0.2894737 0.0000000 0.0000000), wk = 0.0032258 k( 24) = ( 0.3026316 0.0000000 0.0000000), wk = 0.0032258 k( 25) = ( 0.3157895 0.0000000 0.0000000), wk = 0.0032258 k( 26) = ( 0.3289474 0.0000000 -0.0000000), wk = 0.0032258 k( 27) = ( 0.3421053 0.0000000 0.0000000), wk = 0.0032258 k( 28) = ( 0.3552632 0.0000000 0.0000000), wk = 0.0032258 k( 29) = ( 0.3684211 0.0000000 0.0000000), wk = 0.0032258 k( 30) = ( 0.3815789 0.0000000 -0.0000000), wk = 0.0032258 k( 31) = ( 0.3947368 0.0000000 0.0000000), wk = 0.0032258 k( 32) = ( 0.4078947 0.0000000 0.0000000), wk = 0.0032258 k( 33) = ( 0.4210526 -0.0000000 0.0000000), wk = 0.0032258 k( 34) = ( 0.4342105 0.0000000 0.0000000), wk = 0.0032258 k( 35) = ( 0.4473684 0.0000000 -0.0000000), wk = 0.0032258 k( 36) = ( 0.4605263 0.0000000 0.0000000), wk = 0.0032258 k( 37) = ( 0.4736842 0.0000000 0.0000000), wk = 0.0032258 k( 38) = ( 0.4868421 -0.0000000 0.0000000), wk = 0.0032258 k( 39) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032258 k( 40) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032258 k( 41) = ( 0.4924242 0.0151515 0.0000000), wk = 0.0032258 k( 42) = ( 0.4848485 0.0303030 0.0000000), wk = 0.0032258 k( 43) = ( 0.4772727 0.0454546 0.0000000), wk = 0.0032258 k( 44) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0032258 k( 45) = ( 0.4621212 0.0757576 0.0000000), wk = 0.0032258 k( 46) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0032258 k( 47) = ( 0.4469697 0.1060606 0.0000000), wk = 0.0032258 k( 48) = ( 0.4393939 0.1212121 0.0000000), wk = 0.0032258 k( 49) = ( 0.4318182 0.1363636 0.0000000), wk = 0.0032258 k( 50) = ( 0.4242424 0.1515151 -0.0000000), wk = 0.0032258 k( 51) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0032258 k( 52) = ( 0.4090909 0.1818182 0.0000000), wk = 0.0032258 k( 53) = ( 0.4015151 0.1969697 0.0000000), wk = 0.0032258 k( 54) = ( 0.3939394 0.2121212 0.0000000), wk = 0.0032258 k( 55) = ( 0.3863636 0.2272727 0.0000000), wk = 0.0032258 k( 56) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0032258 k( 57) = ( 0.3712121 0.2575758 0.0000000), wk = 0.0032258 k( 58) = ( 0.3636364 0.2727273 0.0000000), wk = 0.0032258 k( 59) = ( 0.3560606 0.2878788 0.0000000), wk = 0.0032258 k( 60) = ( 0.3484849 0.3030303 0.0000000), wk = 0.0032258 k( 61) = ( 0.3409091 0.3181818 -0.0000000), wk = 0.0032258 k( 62) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032258 k( 63) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032258 k( 64) = ( 0.3257576 0.3257576 0.0000000), wk = 0.0032258 k( 65) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0032258 k( 66) = ( 0.3106061 0.3106061 0.0000000), wk = 0.0032258 k( 67) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0032258 k( 68) = ( 0.2954545 0.2954545 0.0000000), wk = 0.0032258 k( 69) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0032258 k( 70) = ( 0.2803030 0.2803030 0.0000000), wk = 0.0032258 k( 71) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0032258 k( 72) = ( 0.2651515 0.2651515 -0.0000000), wk = 0.0032258 k( 73) = ( 0.2575758 0.2575758 0.0000000), wk = 0.0032258 k( 74) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032258 k( 75) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0032258 k( 76) = ( 0.2348485 0.2348485 0.0000000), wk = 0.0032258 k( 77) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0032258 k( 78) = ( 0.2196970 0.2196970 -0.0000000), wk = 0.0032258 k( 79) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0032258 k( 80) = ( 0.2045454 0.2045454 0.0000000), wk = 0.0032258 k( 81) = ( 0.1969697 0.1969697 0.0000000), wk = 0.0032258 k( 82) = ( 0.1893939 0.1893939 0.0000000), wk = 0.0032258 k( 83) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0032258 k( 84) = ( 0.1742424 0.1742424 0.0000000), wk = 0.0032258 k( 85) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0032258 k( 86) = ( 0.1590909 0.1590909 0.0000000), wk = 0.0032258 k( 87) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0032258 k( 88) = ( 0.1439394 0.1439394 0.0000000), wk = 0.0032258 k( 89) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0032258 k( 90) = ( 0.1287879 0.1287879 0.0000000), wk = 0.0032258 k( 91) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0032258 k( 92) = ( 0.1136364 0.1136364 -0.0000000), wk = 0.0032258 k( 93) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0032258 k( 94) = ( 0.0984848 0.0984849 0.0000000), wk = 0.0032258 k( 95) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0032258 k( 96) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0032258 k( 97) = ( 0.0757576 0.0757576 0.0000000), wk = 0.0032258 k( 98) = ( 0.0681818 0.0681818 0.0000000), wk = 0.0032258 k( 99) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0032258 k( 100) = ( 0.0530303 0.0530303 0.0000000), wk = 0.0032258 k( 101) = ( 0.0454546 0.0454545 0.0000000), wk = 0.0032258 k( 102) = ( 0.0378788 0.0378788 0.0000000), wk = 0.0032258 k( 103) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0032258 k( 104) = ( 0.0227273 0.0227273 0.0000000), wk = 0.0032258 k( 105) = ( 0.0151515 0.0151515 0.0000000), wk = 0.0032258 k( 106) = ( 0.0075758 0.0075758 0.0000000), wk = 0.0032258 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 109) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0032258 k( 110) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0032258 k( 111) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0032258 k( 112) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0032258 k( 113) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0032258 k( 114) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0032258 k( 115) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0032258 k( 116) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0032258 k( 117) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0032258 k( 118) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0032258 k( 119) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0032258 k( 120) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0032258 k( 121) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0032258 k( 122) = ( 0.0000000 0.0000000 0.2258065), wk = 0.0032258 k( 123) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0032258 k( 124) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0032258 k( 125) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0032258 k( 126) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0032258 k( 127) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0032258 k( 128) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0032258 k( 129) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0032258 k( 130) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0032258 k( 131) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0032258 k( 132) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0032258 k( 133) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0032258 k( 134) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0032258 k( 135) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0032258 k( 136) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0032258 k( 137) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0032258 k( 138) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0032258 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 141) = ( 0.0131579 0.0000000 0.5000000), wk = 0.0032258 k( 142) = ( 0.0263158 0.0000000 0.5000000), wk = 0.0032258 k( 143) = ( 0.0394737 0.0000000 0.5000000), wk = 0.0032258 k( 144) = ( 0.0526316 0.0000000 0.5000000), wk = 0.0032258 k( 145) = ( 0.0657895 0.0000000 0.5000000), wk = 0.0032258 k( 146) = ( 0.0789474 0.0000000 0.5000000), wk = 0.0032258 k( 147) = ( 0.0921053 0.0000000 0.5000000), wk = 0.0032258 k( 148) = ( 0.1052632 0.0000000 0.5000000), wk = 0.0032258 k( 149) = ( 0.1184210 -0.0000000 0.5000000), wk = 0.0032258 k( 150) = ( 0.1315790 0.0000000 0.5000000), wk = 0.0032258 k( 151) = ( 0.1447368 0.0000000 0.5000000), wk = 0.0032258 k( 152) = ( 0.1578947 0.0000000 0.5000000), wk = 0.0032258 k( 153) = ( 0.1710526 0.0000000 0.5000000), wk = 0.0032258 k( 154) = ( 0.1842105 0.0000000 0.5000000), wk = 0.0032258 k( 155) = ( 0.1973684 0.0000000 0.5000000), wk = 0.0032258 k( 156) = ( 0.2105263 0.0000000 0.5000000), wk = 0.0032258 k( 157) = ( 0.2236842 0.0000000 0.5000000), wk = 0.0032258 k( 158) = ( 0.2368421 0.0000000 0.5000000), wk = 0.0032258 k( 159) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0032258 k( 160) = ( 0.2631579 0.0000000 0.5000000), wk = 0.0032258 k( 161) = ( 0.2763158 0.0000000 0.5000000), wk = 0.0032258 k( 162) = ( 0.2894737 0.0000000 0.5000000), wk = 0.0032258 k( 163) = ( 0.3026316 0.0000000 0.5000000), wk = 0.0032258 k( 164) = ( 0.3157895 0.0000000 0.5000000), wk = 0.0032258 k( 165) = ( 0.3289474 0.0000000 0.5000000), wk = 0.0032258 k( 166) = ( 0.3421053 0.0000000 0.5000000), wk = 0.0032258 k( 167) = ( 0.3552632 0.0000000 0.5000000), wk = 0.0032258 k( 168) = ( 0.3684211 0.0000000 0.5000000), wk = 0.0032258 k( 169) = ( 0.3815789 0.0000000 0.5000000), wk = 0.0032258 k( 170) = ( 0.3947368 0.0000000 0.5000000), wk = 0.0032258 k( 171) = ( 0.4078947 0.0000000 0.5000000), wk = 0.0032258 k( 172) = ( 0.4210526 -0.0000000 0.5000000), wk = 0.0032258 k( 173) = ( 0.4342105 0.0000000 0.5000000), wk = 0.0032258 k( 174) = ( 0.4473684 0.0000000 0.5000000), wk = 0.0032258 k( 175) = ( 0.4605263 0.0000000 0.5000000), wk = 0.0032258 k( 176) = ( 0.4736842 0.0000000 0.5000000), wk = 0.0032258 k( 177) = ( 0.4868421 -0.0000000 0.5000000), wk = 0.0032258 k( 178) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 k( 179) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 k( 180) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0032258 k( 181) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0032258 k( 182) = ( 0.4772727 0.0454546 0.5000000), wk = 0.0032258 k( 183) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0032258 k( 184) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0032258 k( 185) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0032258 k( 186) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0032258 k( 187) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0032258 k( 188) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0032258 k( 189) = ( 0.4242424 0.1515151 0.5000000), wk = 0.0032258 k( 190) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0032258 k( 191) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0032258 k( 192) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0032258 k( 193) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0032258 k( 194) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0032258 k( 195) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0032258 k( 196) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0032258 k( 197) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0032258 k( 198) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0032258 k( 199) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0032258 k( 200) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0032258 k( 201) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032258 k( 202) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032258 k( 203) = ( 0.3257576 0.3257576 0.5000000), wk = 0.0032258 k( 204) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0032258 k( 205) = ( 0.3106061 0.3106061 0.5000000), wk = 0.0032258 k( 206) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0032258 k( 207) = ( 0.2954545 0.2954545 0.5000000), wk = 0.0032258 k( 208) = ( 0.2878788 0.2878788 0.5000000), wk = 0.0032258 k( 209) = ( 0.2803030 0.2803030 0.5000000), wk = 0.0032258 k( 210) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0032258 k( 211) = ( 0.2651515 0.2651515 0.5000000), wk = 0.0032258 k( 212) = ( 0.2575758 0.2575758 0.5000000), wk = 0.0032258 k( 213) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0032258 k( 214) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0032258 k( 215) = ( 0.2348485 0.2348485 0.5000000), wk = 0.0032258 k( 216) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0032258 k( 217) = ( 0.2196970 0.2196970 0.5000000), wk = 0.0032258 k( 218) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0032258 k( 219) = ( 0.2045454 0.2045454 0.5000000), wk = 0.0032258 k( 220) = ( 0.1969697 0.1969697 0.5000000), wk = 0.0032258 k( 221) = ( 0.1893939 0.1893939 0.5000000), wk = 0.0032258 k( 222) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0032258 k( 223) = ( 0.1742424 0.1742424 0.5000000), wk = 0.0032258 k( 224) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0032258 k( 225) = ( 0.1590909 0.1590909 0.5000000), wk = 0.0032258 k( 226) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0032258 k( 227) = ( 0.1439394 0.1439394 0.5000000), wk = 0.0032258 k( 228) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0032258 k( 229) = ( 0.1287879 0.1287879 0.5000000), wk = 0.0032258 k( 230) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0032258 k( 231) = ( 0.1136364 0.1136364 0.5000000), wk = 0.0032258 k( 232) = ( 0.1060606 0.1060606 0.5000000), wk = 0.0032258 k( 233) = ( 0.0984848 0.0984849 0.5000000), wk = 0.0032258 k( 234) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0032258 k( 235) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0032258 k( 236) = ( 0.0757576 0.0757576 0.5000000), wk = 0.0032258 k( 237) = ( 0.0681818 0.0681818 0.5000000), wk = 0.0032258 k( 238) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0032258 k( 239) = ( 0.0530303 0.0530303 0.5000000), wk = 0.0032258 k( 240) = ( 0.0454546 0.0454545 0.5000000), wk = 0.0032258 k( 241) = ( 0.0378788 0.0378788 0.5000000), wk = 0.0032258 k( 242) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0032258 k( 243) = ( 0.0227273 0.0227273 0.5000000), wk = 0.0032258 k( 244) = ( 0.0151515 0.0151515 0.5000000), wk = 0.0032258 k( 245) = ( 0.0075758 0.0075758 0.5000000), wk = 0.0032258 k( 246) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 247) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 k( 248) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0032258 k( 249) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0032258 k( 250) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0032258 k( 251) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0032258 k( 252) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0032258 k( 253) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0032258 k( 254) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0032258 k( 255) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0032258 k( 256) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0032258 k( 257) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0032258 k( 258) = ( 0.5000000 0.0000000 0.3225807), wk = 0.0032258 k( 259) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0032258 k( 260) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0032258 k( 261) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0032258 k( 262) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0032258 k( 263) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0032258 k( 264) = ( 0.5000000 0.0000000 0.2258064), wk = 0.0032258 k( 265) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0032258 k( 266) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0032258 k( 267) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0032258 k( 268) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0032258 k( 269) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0032258 k( 270) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0032258 k( 271) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0032258 k( 272) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0032258 k( 273) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0032258 k( 274) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0032258 k( 275) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0032258 k( 276) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0032258 k( 277) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0032258 k( 278) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032258 k( 279) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032258 k( 280) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0032258 k( 281) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0032258 k( 282) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0032258 k( 283) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0032258 k( 284) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0032258 k( 285) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0032258 k( 286) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0032258 k( 287) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0032258 k( 288) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0032258 k( 289) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0032258 k( 290) = ( 0.3333333 0.3333333 0.1774194), wk = 0.0032258 k( 291) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0032258 k( 292) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0032258 k( 293) = ( 0.3333333 0.3333333 0.2258064), wk = 0.0032258 k( 294) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0032258 k( 295) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0032258 k( 296) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0032258 k( 297) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0032258 k( 298) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0032258 k( 299) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0032258 k( 300) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0032258 k( 301) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0032258 k( 302) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0032258 k( 303) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0032258 k( 304) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0032258 k( 305) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0032258 k( 306) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0032258 k( 307) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0032258 k( 308) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0032258 k( 309) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0032258 k( 310) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032258 Dense grid: 67873 G-vectors FFT dimensions: ( 54, 54, 60) Smooth grid: 30029 G-vectors FFT dimensions: ( 40, 40, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 172, 68) NL pseudopotentials 0.19 Mb ( 86, 146) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1414) G-vector shells 0.01 Mb ( 708) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.71 Mb ( 172, 272) Each subspace H/S matrix 1.13 Mb ( 272, 272) Each matrix 0.30 Mb ( 146, 2, 68) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaxAsO3x2.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.9 secs Computing kpt #: 2 total cpu time spent up to now is 50.4 secs Computing kpt #: 3 total cpu time spent up to now is 54.7 secs Computing kpt #: 4 total cpu time spent up to now is 58.7 secs Computing kpt #: 5 total cpu time spent up to now is 63.1 secs Computing kpt #: 6 total cpu time spent up to now is 67.8 secs Computing kpt #: 7 total cpu time spent up to now is 71.5 secs Computing kpt #: 8 total cpu time spent up to now is 75.7 secs Computing kpt #: 9 total cpu time spent up to now is 79.8 secs Computing kpt #: 10 total cpu time spent up to now is 83.7 secs Computing kpt #: 11 total cpu time spent up to now is 87.8 secs Computing kpt #: 12 total cpu time spent up to now is 92.2 secs Computing kpt #: 13 total cpu time spent up to now is 96.1 secs Computing kpt #: 14 total cpu time spent up to now is 100.2 secs Computing kpt #: 15 total cpu time spent up to now is 104.1 secs Computing kpt #: 16 total cpu time spent up to now is 108.1 secs Computing kpt #: 17 total cpu time spent up to now is 112.1 secs Computing kpt #: 18 total cpu time spent up to now is 116.3 secs Computing kpt #: 19 total cpu time spent up to now is 120.1 secs Computing kpt #: 20 total cpu time spent up to now is 124.0 secs Computing kpt #: 21 total cpu time spent up to now is 127.9 secs Computing kpt #: 22 total cpu time spent up to now is 132.0 secs Computing kpt #: 23 total cpu time spent up to now is 136.3 secs Computing kpt #: 24 total cpu time spent up to now is 140.2 secs Computing kpt #: 25 total cpu time spent up to now is 144.3 secs Computing kpt #: 26 total cpu time spent up to now is 148.6 secs Computing kpt #: 27 total cpu time spent up to now is 152.4 secs Computing kpt #: 28 total cpu time spent up to now is 156.2 secs Computing kpt #: 29 total cpu time spent up to now is 160.0 secs Computing kpt #: 30 total cpu time spent up to now is 163.8 secs Computing kpt #: 31 total cpu time spent up to now is 167.6 secs Computing kpt #: 32 total cpu time spent up to now is 171.3 secs Computing kpt #: 33 total cpu time spent up to now is 175.2 secs Computing kpt #: 34 total cpu time spent up to now is 179.2 secs Computing kpt #: 35 total cpu time spent up to now is 183.0 secs Computing kpt #: 36 total cpu time spent up to now is 186.7 secs Computing kpt #: 37 total cpu time spent up to now is 190.9 secs Computing kpt #: 38 total cpu time spent up to now is 194.8 secs Computing kpt #: 39 total cpu time spent up to now is 198.7 secs Computing kpt #: 40 total cpu time spent up to now is 202.4 secs Computing kpt #: 41 total cpu time spent up to now is 206.7 secs Computing kpt #: 42 total cpu time spent up to now is 211.2 secs Computing kpt #: 43 total cpu time spent up to now is 215.2 secs Computing kpt #: 44 total cpu time spent up to now is 219.4 secs Computing kpt #: 45 total cpu time spent up to now is 223.6 secs Computing kpt #: 46 total cpu time spent up to now is 227.8 secs Computing kpt #: 47 total cpu time spent up to now is 232.0 secs Computing kpt #: 48 total cpu time spent up to now is 236.3 secs Computing kpt #: 49 total cpu time spent up to now is 240.5 secs Computing kpt #: 50 total cpu time spent up to now is 245.0 secs Computing kpt #: 51 total cpu time spent up to now is 249.4 secs Computing kpt #: 52 total cpu time spent up to now is 253.6 secs Computing kpt #: 53 total cpu time spent up to now is 257.8 secs Computing kpt #: 54 total cpu time spent up to now is 262.3 secs Computing kpt #: 55 total cpu time spent up to now is 266.4 secs Computing kpt #: 56 total cpu time spent up to now is 270.5 secs Computing kpt #: 57 total cpu time spent up to now is 274.7 secs Computing kpt #: 58 total cpu time spent up to now is 278.7 secs Computing kpt #: 59 total cpu time spent up to now is 283.4 secs Computing kpt #: 60 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 289.9 secs Computing kpt #: 61 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 296.4 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 303.1 secs Computing kpt #: 63 total cpu time spent up to now is 308.0 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 314.5 secs Computing kpt #: 65 total cpu time spent up to now is 319.1 secs Computing kpt #: 66 total cpu time spent up to now is 323.2 secs Computing kpt #: 67 total cpu time spent up to now is 327.6 secs Computing kpt #: 68 total cpu time spent up to now is 331.9 secs Computing kpt #: 69 total cpu time spent up to now is 336.1 secs Computing kpt #: 70 total cpu time spent up to now is 340.1 secs Computing kpt #: 71 total cpu time spent up to now is 344.0 secs Computing kpt #: 72 total cpu time spent up to now is 348.1 secs Computing kpt #: 73 total cpu time spent up to now is 351.9 secs Computing kpt #: 74 total cpu time spent up to now is 355.6 secs Computing kpt #: 75 total cpu time spent up to now is 359.2 secs Computing kpt #: 76 total cpu time spent up to now is 363.0 secs Computing kpt #: 77 total cpu time spent up to now is 366.7 secs Computing kpt #: 78 total cpu time spent up to now is 370.3 secs Computing kpt #: 79 total cpu time spent up to now is 373.9 secs Computing kpt #: 80 total cpu time spent up to now is 377.5 secs Computing kpt #: 81 total cpu time spent up to now is 381.0 secs Computing kpt #: 82 total cpu time spent up to now is 384.6 secs Computing kpt #: 83 total cpu time spent up to now is 388.5 secs Computing kpt #: 84 total cpu time spent up to now is 392.1 secs Computing kpt #: 85 total cpu time spent up to now is 395.7 secs Computing kpt #: 86 total cpu time spent up to now is 399.4 secs Computing kpt #: 87 total cpu time spent up to now is 403.1 secs Computing kpt #: 88 total cpu time spent up to now is 406.8 secs Computing kpt #: 89 total cpu time spent up to now is 410.6 secs Computing kpt #: 90 total cpu time spent up to now is 414.3 secs Computing kpt #: 91 total cpu time spent up to now is 418.1 secs Computing kpt #: 92 total cpu time spent up to now is 422.0 secs Computing kpt #: 93 total cpu time spent up to now is 425.8 secs Computing kpt #: 94 total cpu time spent up to now is 429.6 secs Computing kpt #: 95 total cpu time spent up to now is 433.5 secs Computing kpt #: 96 total cpu time spent up to now is 437.8 secs Computing kpt #: 97 total cpu time spent up to now is 441.9 secs Computing kpt #: 98 total cpu time spent up to now is 445.8 secs Computing kpt #: 99 total cpu time spent up to now is 449.6 secs Computing kpt #: 100 total cpu time spent up to now is 453.4 secs Computing kpt #: 101 total cpu time spent up to now is 457.3 secs Computing kpt #: 102 total cpu time spent up to now is 461.1 secs Computing kpt #: 103 total cpu time spent up to now is 464.8 secs Computing kpt #: 104 total cpu time spent up to now is 468.7 secs Computing kpt #: 105 total cpu time spent up to now is 472.5 secs Computing kpt #: 106 total cpu time spent up to now is 476.3 secs Computing kpt #: 107 total cpu time spent up to now is 480.2 secs Computing kpt #: 108 total cpu time spent up to now is 484.0 secs Computing kpt #: 109 total cpu time spent up to now is 487.8 secs Computing kpt #: 110 total cpu time spent up to now is 491.8 secs Computing kpt #: 111 total cpu time spent up to now is 495.7 secs Computing kpt #: 112 total cpu time spent up to now is 499.5 secs Computing kpt #: 113 total cpu time spent up to now is 503.8 secs Computing kpt #: 114 total cpu time spent up to now is 507.7 secs Computing kpt #: 115 total cpu time spent up to now is 511.5 secs Computing kpt #: 116 total cpu time spent up to now is 515.4 secs Computing kpt #: 117 total cpu time spent up to now is 519.3 secs Computing kpt #: 118 total cpu time spent up to now is 523.2 secs Computing kpt #: 119 total cpu time spent up to now is 527.1 secs Computing kpt #: 120 total cpu time spent up to now is 530.9 secs Computing kpt #: 121 total cpu time spent up to now is 535.5 secs Computing kpt #: 122 total cpu time spent up to now is 539.3 secs Computing kpt #: 123 total cpu time spent up to now is 543.4 secs Computing kpt #: 124 total cpu time spent up to now is 547.2 secs Computing kpt #: 125 total cpu time spent up to now is 551.1 secs Computing kpt #: 126 total cpu time spent up to now is 554.8 secs Computing kpt #: 127 total cpu time spent up to now is 558.9 secs Computing kpt #: 128 total cpu time spent up to now is 562.7 secs Computing kpt #: 129 total cpu time spent up to now is 566.6 secs Computing kpt #: 130 total cpu time spent up to now is 570.8 secs Computing kpt #: 131 total cpu time spent up to now is 574.4 secs Computing kpt #: 132 total cpu time spent up to now is 578.3 secs Computing kpt #: 133 total cpu time spent up to now is 582.1 secs Computing kpt #: 134 total cpu time spent up to now is 586.1 secs Computing kpt #: 135 total cpu time spent up to now is 590.0 secs Computing kpt #: 136 total cpu time spent up to now is 593.6 secs Computing kpt #: 137 total cpu time spent up to now is 597.2 secs Computing kpt #: 138 total cpu time spent up to now is 601.5 secs Computing kpt #: 139 total cpu time spent up to now is 605.3 secs Computing kpt #: 140 total cpu time spent up to now is 609.3 secs Computing kpt #: 141 total cpu time spent up to now is 613.2 secs Computing kpt #: 142 total cpu time spent up to now is 617.3 secs Computing kpt #: 143 total cpu time spent up to now is 621.1 secs Computing kpt #: 144 total cpu time spent up to now is 624.7 secs Computing kpt #: 145 total cpu time spent up to now is 628.6 secs Computing kpt #: 146 total cpu time spent up to now is 632.6 secs Computing kpt #: 147 total cpu time spent up to now is 636.5 secs Computing kpt #: 148 total cpu time spent up to now is 640.4 secs Computing kpt #: 149 total cpu time spent up to now is 643.9 secs Computing kpt #: 150 total cpu time spent up to now is 647.5 secs Computing kpt #: 151 total cpu time spent up to now is 651.1 secs Computing kpt #: 152 total cpu time spent up to now is 654.9 secs Computing kpt #: 153 total cpu time spent up to now is 658.4 secs Computing kpt #: 154 total cpu time spent up to now is 662.1 secs Computing kpt #: 155 total cpu time spent up to now is 665.8 secs Computing kpt #: 156 total cpu time spent up to now is 669.2 secs Computing kpt #: 157 total cpu time spent up to now is 672.9 secs Computing kpt #: 158 total cpu time spent up to now is 676.5 secs Computing kpt #: 159 total cpu time spent up to now is 680.2 secs Computing kpt #: 160 total cpu time spent up to now is 683.9 secs Computing kpt #: 161 total cpu time spent up to now is 687.7 secs Computing kpt #: 162 total cpu time spent up to now is 691.6 secs Computing kpt #: 163 total cpu time spent up to now is 695.3 secs Computing kpt #: 164 total cpu time spent up to now is 699.4 secs Computing kpt #: 165 total cpu time spent up to now is 703.4 secs Computing kpt #: 166 total cpu time spent up to now is 707.4 secs Computing kpt #: 167 total cpu time spent up to now is 711.2 secs Computing kpt #: 168 total cpu time spent up to now is 715.0 secs Computing kpt #: 169 total cpu time spent up to now is 718.9 secs Computing kpt #: 170 total cpu time spent up to now is 723.0 secs Computing kpt #: 171 total cpu time spent up to now is 727.4 secs Computing kpt #: 172 total cpu time spent up to now is 731.5 secs Computing kpt #: 173 total cpu time spent up to now is 736.8 secs Computing kpt #: 174 total cpu time spent up to now is 742.2 secs Computing kpt #: 175 total cpu time spent up to now is 746.3 secs Computing kpt #: 176 total cpu time spent up to now is 750.9 secs Computing kpt #: 177 total cpu time spent up to now is 755.1 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 762.1 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 768.7 secs Computing kpt #: 180 total cpu time spent up to now is 773.0 secs Computing kpt #: 181 total cpu time spent up to now is 777.2 secs Computing kpt #: 182 total cpu time spent up to now is 783.0 secs Computing kpt #: 183 total cpu time spent up to now is 787.6 secs Computing kpt #: 184 total cpu time spent up to now is 791.9 secs Computing kpt #: 185 total cpu time spent up to now is 796.2 secs Computing kpt #: 186 total cpu time spent up to now is 800.4 secs Computing kpt #: 187 total cpu time spent up to now is 804.5 secs Computing kpt #: 188 total cpu time spent up to now is 808.7 secs Computing kpt #: 189 total cpu time spent up to now is 812.9 secs Computing kpt #: 190 total cpu time spent up to now is 817.1 secs Computing kpt #: 191 total cpu time spent up to now is 821.4 secs Computing kpt #: 192 total cpu time spent up to now is 825.6 secs Computing kpt #: 193 total cpu time spent up to now is 830.1 secs Computing kpt #: 194 total cpu time spent up to now is 834.3 secs Computing kpt #: 195 total cpu time spent up to now is 838.8 secs Computing kpt #: 196 total cpu time spent up to now is 843.1 secs Computing kpt #: 197 total cpu time spent up to now is 847.3 secs Computing kpt #: 198 total cpu time spent up to now is 851.9 secs Computing kpt #: 199 total cpu time spent up to now is 856.4 secs Computing kpt #: 200 total cpu time spent up to now is 860.4 secs Computing kpt #: 201 total cpu time spent up to now is 866.4 secs Computing kpt #: 202 total cpu time spent up to now is 871.0 secs Computing kpt #: 203 total cpu time spent up to now is 875.1 secs Computing kpt #: 204 total cpu time spent up to now is 879.4 secs Computing kpt #: 205 total cpu time spent up to now is 883.5 secs Computing kpt #: 206 total cpu time spent up to now is 887.4 secs Computing kpt #: 207 total cpu time spent up to now is 891.5 secs Computing kpt #: 208 total cpu time spent up to now is 895.6 secs Computing kpt #: 209 total cpu time spent up to now is 899.7 secs Computing kpt #: 210 total cpu time spent up to now is 905.4 secs Computing kpt #: 211 total cpu time spent up to now is 909.5 secs Computing kpt #: 212 total cpu time spent up to now is 913.7 secs Computing kpt #: 213 total cpu time spent up to now is 918.3 secs Computing kpt #: 214 total cpu time spent up to now is 922.3 secs Computing kpt #: 215 total cpu time spent up to now is 926.5 secs Computing kpt #: 216 total cpu time spent up to now is 931.2 secs Computing kpt #: 217 total cpu time spent up to now is 935.6 secs Computing kpt #: 218 total cpu time spent up to now is 940.5 secs Computing kpt #: 219 total cpu time spent up to now is 944.6 secs Computing kpt #: 220 total cpu time spent up to now is 950.2 secs Computing kpt #: 221 total cpu time spent up to now is 954.1 secs Computing kpt #: 222 total cpu time spent up to now is 958.1 secs Computing kpt #: 223 total cpu time spent up to now is 962.2 secs Computing kpt #: 224 total cpu time spent up to now is 965.8 secs Computing kpt #: 225 total cpu time spent up to now is 969.8 secs Computing kpt #: 226 total cpu time spent up to now is 973.3 secs Computing kpt #: 227 total cpu time spent up to now is 977.2 secs Computing kpt #: 228 total cpu time spent up to now is 980.7 secs Computing kpt #: 229 total cpu time spent up to now is 984.6 secs Computing kpt #: 230 total cpu time spent up to now is 988.5 secs Computing kpt #: 231 total cpu time spent up to now is 992.0 secs Computing kpt #: 232 total cpu time spent up to now is 995.5 secs Computing kpt #: 233 total cpu time spent up to now is 998.9 secs Computing kpt #: 234 total cpu time spent up to now is 1002.6 secs Computing kpt #: 235 total cpu time spent up to now is 1006.3 secs Computing kpt #: 236 total cpu time spent up to now is 1010.1 secs Computing kpt #: 237 total cpu time spent up to now is 1014.0 secs Computing kpt #: 238 total cpu time spent up to now is 1017.6 secs Computing kpt #: 239 total cpu time spent up to now is 1021.3 secs Computing kpt #: 240 total cpu time spent up to now is 1025.0 secs Computing kpt #: 241 total cpu time spent up to now is 1028.7 secs Computing kpt #: 242 total cpu time spent up to now is 1032.5 secs Computing kpt #: 243 total cpu time spent up to now is 1037.3 secs Computing kpt #: 244 total cpu time spent up to now is 1041.8 secs Computing kpt #: 245 total cpu time spent up to now is 1045.6 secs Computing kpt #: 246 total cpu time spent up to now is 1049.3 secs Computing kpt #: 247 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1055.9 secs Computing kpt #: 248 total cpu time spent up to now is 1060.2 secs Computing kpt #: 249 total cpu time spent up to now is 1066.1 secs Computing kpt #: 250 total cpu time spent up to now is 1072.2 secs Computing kpt #: 251 total cpu time spent up to now is 1076.8 secs Computing kpt #: 252 total cpu time spent up to now is 1081.1 secs Computing kpt #: 253 total cpu time spent up to now is 1085.9 secs Computing kpt #: 254 total cpu time spent up to now is 1090.1 secs Computing kpt #: 255 total cpu time spent up to now is 1094.2 secs Computing kpt #: 256 total cpu time spent up to now is 1098.2 secs Computing kpt #: 257 total cpu time spent up to now is 1102.2 secs Computing kpt #: 258 total cpu time spent up to now is 1106.3 secs Computing kpt #: 259 total cpu time spent up to now is 1110.5 secs Computing kpt #: 260 total cpu time spent up to now is 1114.8 secs Computing kpt #: 261 total cpu time spent up to now is 1119.1 secs Computing kpt #: 262 total cpu time spent up to now is 1123.4 secs Computing kpt #: 263 total cpu time spent up to now is 1127.5 secs Computing kpt #: 264 total cpu time spent up to now is 1131.5 secs Computing kpt #: 265 total cpu time spent up to now is 1135.7 secs Computing kpt #: 266 total cpu time spent up to now is 1139.7 secs Computing kpt #: 267 total cpu time spent up to now is 1143.5 secs Computing kpt #: 268 total cpu time spent up to now is 1147.5 secs Computing kpt #: 269 total cpu time spent up to now is 1151.8 secs Computing kpt #: 270 total cpu time spent up to now is 1155.8 secs Computing kpt #: 271 total cpu time spent up to now is 1159.8 secs Computing kpt #: 272 total cpu time spent up to now is 1163.8 secs Computing kpt #: 273 total cpu time spent up to now is 1167.6 secs Computing kpt #: 274 total cpu time spent up to now is 1171.2 secs Computing kpt #: 275 total cpu time spent up to now is 1174.9 secs Computing kpt #: 276 total cpu time spent up to now is 1178.5 secs Computing kpt #: 277 total cpu time spent up to now is 1182.3 secs Computing kpt #: 278 total cpu time spent up to now is 1186.1 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1192.7 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1199.4 secs Computing kpt #: 281 total cpu time spent up to now is 1203.8 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1210.4 secs Computing kpt #: 283 total cpu time spent up to now is 1214.7 secs Computing kpt #: 284 total cpu time spent up to now is 1220.1 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1226.9 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1233.8 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1240.6 secs Computing kpt #: 288 total cpu time spent up to now is 1246.6 secs Computing kpt #: 289 total cpu time spent up to now is 1251.8 secs Computing kpt #: 290 total cpu time spent up to now is 1256.3 secs Computing kpt #: 291 total cpu time spent up to now is 1260.6 secs Computing kpt #: 292 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1267.5 secs Computing kpt #: 293 total cpu time spent up to now is 1271.5 secs Computing kpt #: 294 total cpu time spent up to now is 1275.6 secs Computing kpt #: 295 total cpu time spent up to now is 1279.8 secs Computing kpt #: 296 total cpu time spent up to now is 1283.9 secs Computing kpt #: 297 total cpu time spent up to now is 1288.1 secs Computing kpt #: 298 total cpu time spent up to now is 1292.1 secs Computing kpt #: 299 total cpu time spent up to now is 1296.0 secs Computing kpt #: 300 total cpu time spent up to now is 1299.8 secs Computing kpt #: 301 total cpu time spent up to now is 1304.0 secs Computing kpt #: 302 total cpu time spent up to now is 1308.0 secs Computing kpt #: 303 total cpu time spent up to now is 1312.2 secs Computing kpt #: 304 total cpu time spent up to now is 1316.2 secs Computing kpt #: 305 total cpu time spent up to now is 1320.4 secs Computing kpt #: 306 total cpu time spent up to now is 1324.2 secs Computing kpt #: 307 total cpu time spent up to now is 1328.3 secs Computing kpt #: 308 total cpu time spent up to now is 1332.4 secs Computing kpt #: 309 total cpu time spent up to now is 1337.7 secs Computing kpt #: 310 total cpu time spent up to now is 1342.9 secs ethr = 1.79E-11, avg # of iterations = 53.3 total cpu time spent up to now is 1343.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3777 PWs) bands (ev): -30.8412 -30.8412 -14.3622 -14.3622 -12.5839 -12.5839 -12.2388 -12.2388 -12.0721 -12.0721 -11.2282 -11.2282 -11.2053 -11.2053 -10.7607 -10.7607 -9.9145 -9.9145 -9.8794 -9.8794 -4.8834 -4.8834 -1.4403 -1.4403 0.1437 0.1437 0.6589 0.6589 0.7098 0.7098 1.6744 1.6744 1.7240 1.7240 3.9181 3.9181 4.2271 4.2271 4.2320 4.2320 4.3815 4.3815 4.9824 4.9824 4.9993 4.9993 5.7088 5.7088 5.7324 5.7324 5.7389 5.7389 5.8254 5.8254 5.8498 5.8498 9.3120 9.3120 10.5262 10.5262 14.0342 14.0342 14.4849 14.4849 14.4899 14.4899 14.5637 14.5637 k = 0.0132 0.0076-0.0000 ( 3785 PWs) bands (ev): -30.8412 -30.8412 -14.3615 -14.3615 -12.5838 -12.5834 -12.2392 -12.2386 -12.0724 -12.0724 -11.2293 -11.2288 -11.2063 -11.2062 -10.7607 -10.7595 -9.9153 -9.9148 -9.8800 -9.8800 -4.8810 -4.8810 -1.4404 -1.4404 0.1431 0.1432 0.6596 0.6597 0.7106 0.7106 1.6753 1.6754 1.7250 1.7250 3.9204 3.9205 4.2145 4.2152 4.2294 4.2294 4.3938 4.3946 4.9818 4.9819 4.9988 4.9988 5.6964 5.7000 5.7199 5.7218 5.7522 5.7553 5.8260 5.8273 5.8500 5.8501 9.3149 9.3151 10.5270 10.5271 14.0318 14.0366 14.4840 14.4840 14.4885 14.4906 14.5634 14.5635 k = 0.0263 0.0152-0.0000 ( 3781 PWs) bands (ev): -30.8412 -30.8412 -14.3594 -14.3594 -12.5832 -12.5823 -12.2397 -12.2383 -12.0731 -12.0731 -11.2321 -11.2312 -11.2089 -11.2088 -10.7595 -10.7571 -9.9172 -9.9162 -9.8817 -9.8817 -4.8740 -4.8740 -1.4407 -1.4407 0.1413 0.1414 0.6620 0.6623 0.7132 0.7132 1.6771 1.6773 1.7289 1.7290 3.9274 3.9275 4.1805 4.1816 4.2276 4.2277 4.4228 4.4240 4.9801 4.9805 4.9974 4.9974 5.6725 5.6759 5.7071 5.7086 5.7668 5.7709 5.8282 5.8298 5.8523 5.8530 9.3240 9.3242 10.5298 10.5300 14.0294 14.0389 14.4809 14.4811 14.4866 14.4906 14.5627 14.5631 k = 0.0395 0.0228-0.0000 ( 3771 PWs) bands (ev): -30.8412 -30.8412 -14.3559 -14.3559 -12.5820 -12.5806 -12.2402 -12.2382 -12.0743 -12.0742 -11.2371 -11.2361 -11.2126 -11.2122 -10.7570 -10.7535 -9.9202 -9.9186 -9.8846 -9.8846 -4.8622 -4.8622 -1.4412 -1.4412 0.1384 0.1386 0.6660 0.6664 0.7175 0.7175 1.6777 1.6779 1.7378 1.7380 3.9388 3.9390 4.1372 4.1386 4.2251 4.2253 4.4577 4.4590 4.9771 4.9775 4.9955 4.9956 5.6442 5.6471 5.6886 5.6896 5.7776 5.7818 5.8283 5.8293 5.8604 5.8620 9.3388 9.3392 10.5345 10.5347 14.0271 14.0412 14.4755 14.4761 14.4843 14.4897 14.5618 14.5622 k = 0.0526 0.0304-0.0000 ( 3759 PWs) bands (ev): -30.8412 -30.8412 -14.3510 -14.3510 -12.5803 -12.5784 -12.2408 -12.2381 -12.0759 -12.0759 -11.2452 -11.2442 -11.2165 -11.2156 -10.7535 -10.7488 -9.9243 -9.9222 -9.8887 -9.8886 -4.8459 -4.8459 -1.4419 -1.4419 0.1346 0.1349 0.6716 0.6720 0.7236 0.7236 1.6754 1.6755 1.7534 1.7537 3.9544 3.9547 4.0895 4.0910 4.2218 4.2222 4.4937 4.4950 4.9722 4.9728 4.9937 4.9939 5.6136 5.6161 5.6626 5.6633 5.7852 5.7891 5.8257 5.8260 5.8739 5.8759 9.3591 9.3596 10.5409 10.5413 14.0252 14.0436 14.4677 14.4687 14.4812 14.4877 14.5604 14.5609 k = 0.0658 0.0380-0.0000 ( 3751 PWs) bands (ev): -30.8412 -30.8412 -14.3447 -14.3447 -12.5781 -12.5757 -12.2415 -12.2381 -12.0781 -12.0780 -11.2565 -11.2557 -11.2201 -11.2186 -10.7490 -10.7432 -9.9294 -9.9268 -9.8938 -9.8937 -4.8251 -4.8251 -1.4429 -1.4428 0.1299 0.1303 0.6786 0.6791 0.7316 0.7316 1.6700 1.6700 1.7755 1.7760 3.9735 3.9740 4.0394 4.0410 4.2180 4.2186 4.5287 4.5300 4.9653 4.9658 4.9924 4.9928 5.5813 5.5836 5.6291 5.6296 5.7908 5.7941 5.8217 5.8217 5.8900 5.8919 9.3843 9.3850 10.5492 10.5496 14.0239 14.0462 14.4573 14.4588 14.4772 14.4844 14.5585 14.5591 k = 0.0789 0.0456-0.0000 ( 3741 PWs) bands (ev): -30.8411 -30.8411 -14.3371 -14.3371 -12.5753 -12.5725 -12.2423 -12.2383 -12.0808 -12.0807 -11.2711 -11.2705 -11.2233 -11.2213 -10.7436 -10.7367 -9.9356 -9.9324 -9.9000 -9.8999 -4.7999 -4.7999 -1.4441 -1.4441 0.1247 0.1252 0.6870 0.6876 0.7415 0.7416 1.6622 1.6622 1.8033 1.8040 3.9822 3.9841 4.0012 4.0016 4.2141 4.2148 4.5617 4.5631 4.9561 4.9567 4.9921 4.9927 5.5476 5.5500 5.5884 5.5888 5.7951 5.7977 5.8173 5.8176 5.9067 5.9083 9.4141 9.4148 10.5591 10.5596 14.0233 14.0494 14.4442 14.4462 14.4720 14.4796 14.5563 14.5568 k = 0.0921 0.0532-0.0000 ( 3749 PWs) bands (ev): -30.8411 -30.8411 -14.3281 -14.3281 -12.5722 -12.5689 -12.2434 -12.2386 -12.0840 -12.0838 -11.2884 -11.2880 -11.2261 -11.2237 -10.7376 -10.7297 -9.9427 -9.9389 -9.9071 -9.9070 -4.7705 -4.7705 -1.4457 -1.4457 0.1192 0.1197 0.6966 0.6974 0.7534 0.7534 1.6525 1.6525 1.8361 1.8370 3.9318 3.9338 4.0230 4.0236 4.2108 4.2117 4.5920 4.5933 4.9449 4.9454 4.9929 4.9937 5.5128 5.5154 5.5412 5.5419 5.7981 5.8000 5.8135 5.8141 5.9230 5.9244 9.4477 9.4485 10.5706 10.5712 14.0236 14.0531 14.4280 14.4306 14.4655 14.4734 14.5535 14.5540 k = 0.1053 0.0608-0.0000 ( 3749 PWs) bands (ev): -30.8411 -30.8411 -14.3178 -14.3178 -12.5686 -12.5648 -12.2445 -12.2389 -12.0877 -12.0875 -11.3083 -11.3079 -11.2287 -11.2258 -10.7310 -10.7222 -9.9508 -9.9463 -9.9152 -9.9150 -4.7371 -4.7371 -1.4477 -1.4476 0.1134 0.1140 0.7075 0.7084 0.7672 0.7673 1.6416 1.6416 1.8731 1.8742 3.8774 3.8795 4.0485 4.0494 4.2093 4.2105 4.6190 4.6203 4.9316 4.9321 4.9951 4.9960 5.4758 5.4798 5.4889 5.4909 5.7988 5.7999 5.8113 5.8125 5.9385 5.9396 9.4845 9.4854 10.5836 10.5843 14.0250 14.0578 14.4086 14.4118 14.4577 14.4658 14.5502 14.5506 k = 0.1184 0.0684-0.0000 ( 3755 PWs) bands (ev): -30.8411 -30.8411 -14.3062 -14.3062 -12.5647 -12.5603 -12.2458 -12.2395 -12.0920 -12.0917 -11.3302 -11.3300 -11.2310 -11.2278 -10.7241 -10.7144 -9.9597 -9.9546 -9.9242 -9.9239 -4.6998 -4.6998 -1.4500 -1.4500 0.1078 0.1084 0.7196 0.7205 0.7829 0.7830 1.6297 1.6297 1.9137 1.9149 3.8221 3.8244 4.0722 4.0733 4.2123 4.2138 4.6423 4.6435 4.9161 4.9166 4.9988 4.9999 5.4274 5.4301 5.4457 5.4462 5.7963 5.7968 5.8120 5.8134 5.9529 5.9538 9.5238 9.5249 10.5980 10.5988 14.0276 14.0633 14.3860 14.3900 14.4487 14.4569 14.5465 14.5467 k = 0.1316 0.0760-0.0000 ( 3747 PWs) bands (ev): -30.8410 -30.8410 -14.2932 -14.2932 -12.5604 -12.5555 -12.2472 -12.2401 -12.0968 -12.0965 -11.3540 -11.3538 -11.2330 -11.2295 -10.7171 -10.7065 -9.9693 -9.9637 -9.9339 -9.9335 -4.6588 -4.6588 -1.4529 -1.4529 0.1025 0.1032 0.7328 0.7338 0.8004 0.8006 1.6171 1.6172 1.9573 1.9587 3.7664 3.7688 4.0899 4.0912 4.2235 4.2252 4.6614 4.6625 4.8984 4.8989 5.0040 5.0053 5.3676 5.3691 5.4094 5.4101 5.7916 5.7919 5.8143 5.8156 5.9662 5.9669 9.5651 9.5662 10.6137 10.6146 14.0312 14.0699 14.3604 14.3651 14.4388 14.4470 14.5422 14.5423 k = 0.1447 0.0836-0.0000 ( 3747 PWs) bands (ev): -30.8410 -30.8410 -14.2790 -14.2790 -12.5558 -12.5505 -12.2487 -12.2409 -12.1024 -12.1019 -11.3792 -11.3791 -11.2345 -11.2308 -10.7102 -10.6987 -9.9796 -9.9734 -9.9443 -9.9439 -4.6144 -4.6144 -1.4563 -1.4563 0.0977 0.0984 0.7471 0.7482 0.8197 0.8199 1.6042 1.6043 2.0032 2.0048 3.7105 3.7132 4.0986 4.0999 4.2458 4.2474 4.6762 4.6772 4.8781 4.8787 5.0107 5.0120 5.3043 5.3055 5.3742 5.3753 5.7858 5.7861 5.8170 5.8182 5.9784 5.9789 9.6075 9.6088 10.6306 10.6316 14.0359 14.0774 14.3318 14.3375 14.4280 14.4363 14.5374 14.5375 k = 0.1579 0.0912-0.0000 ( 3759 PWs) bands (ev): -30.8410 -30.8410 -14.2636 -14.2636 -12.5511 -12.5452 -12.2505 -12.2419 -12.1087 -12.1082 -11.4056 -11.4056 -11.2357 -11.2318 -10.7035 -10.6912 -9.9905 -9.9836 -9.9553 -9.9548 -4.5668 -4.5668 -1.4603 -1.4603 0.0937 0.0944 0.7625 0.7636 0.8405 0.8407 1.5912 1.5914 2.0507 2.0526 3.6550 3.6578 4.0991 4.1002 4.2780 4.2795 4.6869 4.6877 4.8548 4.8554 5.0182 5.0196 5.2396 5.2407 5.3402 5.3417 5.7794 5.7797 5.8196 5.8206 5.9896 5.9899 9.6506 9.6521 10.6486 10.6497 14.0413 14.0857 14.3008 14.3076 14.4167 14.4249 14.5320 14.5322 k = 0.1711 0.0988-0.0000 ( 3749 PWs) bands (ev): -30.8410 -30.8410 -14.2469 -14.2469 -12.5462 -12.5398 -12.2522 -12.2430 -12.1158 -12.1153 -11.4328 -11.4327 -11.2363 -11.2322 -10.6973 -10.6842 -10.0018 -9.9944 -9.9668 -9.9663 -4.5163 -4.5163 -1.4649 -1.4649 0.0905 0.0912 0.7788 0.7800 0.8628 0.8629 1.5784 1.5786 2.0993 2.1015 3.6001 3.6033 4.0941 4.0950 4.3170 4.3183 4.6937 4.6944 4.8278 4.8285 5.0253 5.0269 5.1753 5.1764 5.3084 5.3102 5.7725 5.7727 5.8220 5.8229 5.9998 5.9999 9.6938 9.6953 10.6675 10.6687 14.0473 14.0944 14.2681 14.2761 14.4053 14.4134 14.5262 14.5265 k = 0.1842 0.1064-0.0000 ( 3753 PWs) bands (ev): -30.8409 -30.8409 -14.2291 -14.2291 -12.5413 -12.5344 -12.2541 -12.2442 -12.1240 -12.1234 -11.4604 -11.4602 -11.2364 -11.2321 -10.6917 -10.6780 -10.0133 -10.0054 -9.9788 -9.9782 -4.4632 -4.4632 -1.4703 -1.4703 0.0883 0.0891 0.7962 0.7974 0.8862 0.8864 1.5660 1.5662 2.1481 2.1506 3.5465 3.5499 4.0858 4.0865 4.3601 4.3611 4.6970 4.6975 4.7963 4.7970 5.0305 5.0322 5.1134 5.1145 5.2799 5.2821 5.7649 5.7652 5.8240 5.8247 6.0091 6.0091 9.7365 9.7381 10.6871 10.6884 14.0528 14.1026 14.2348 14.2442 14.3941 14.4021 14.5198 14.5203 k = 0.1974 0.1140-0.0000 ( 3753 PWs) bands (ev): -30.8409 -30.8409 -14.2102 -14.2102 -12.5364 -12.5290 -12.2561 -12.2455 -12.1332 -12.1326 -11.4879 -11.4876 -11.2358 -11.2315 -10.6870 -10.6727 -10.0250 -10.0167 -9.9910 -9.9905 -4.4076 -4.4076 -1.4764 -1.4764 0.0873 0.0881 0.8145 0.8157 0.9106 0.9108 1.5542 1.5544 2.1962 2.1990 3.4949 3.4986 4.0754 4.0760 4.4053 4.4062 4.6973 4.6976 4.7593 4.7600 5.0310 5.0326 5.0569 5.0574 5.2565 5.2591 5.7569 5.7571 5.8253 5.8259 6.0176 6.0177 9.7782 9.7800 10.7075 10.7089 14.0567 14.1081 14.2035 14.2133 14.3838 14.3913 14.5131 14.5136 k = 0.2105 0.1215-0.0000 ( 3753 PWs) bands (ev): -30.8409 -30.8409 -14.1901 -14.1901 -12.5316 -12.5238 -12.2581 -12.2470 -12.1437 -12.1432 -11.5150 -11.5147 -11.2346 -11.2301 -10.6834 -10.6685 -10.0367 -10.0281 -10.0034 -10.0030 -4.3500 -4.3499 -1.4833 -1.4833 0.0874 0.0882 0.8336 0.8348 0.9357 0.9359 1.5433 1.5435 2.2425 2.2457 3.4460 3.4501 4.0638 4.0642 4.4511 4.4518 4.6937 4.6940 4.7176 4.7183 5.0025 5.0039 5.0279 5.0306 5.2401 5.2431 5.7483 5.7486 5.8260 5.8265 6.0255 6.0258 9.8185 9.8203 10.7284 10.7299 14.0566 14.1052 14.1798 14.1862 14.3748 14.3815 14.5059 14.5066 k = 0.2237 0.1291-0.0000 ( 3753 PWs) bands (ev): -30.8408 -30.8408 -14.1691 -14.1691 -12.5271 -12.5189 -12.2601 -12.2487 -12.1554 -12.1551 -11.5413 -11.5408 -11.2326 -11.2281 -10.6810 -10.6656 -10.0482 -10.0395 -10.0158 -10.0156 -4.2905 -4.2905 -1.4911 -1.4911 0.0889 0.0897 0.8535 0.8548 0.9613 0.9615 1.5334 1.5336 2.2859 2.2895 3.4009 3.4053 4.0512 4.0515 4.4947 4.4953 4.6646 4.6649 4.6953 4.6956 4.9592 4.9605 5.0145 5.0172 5.2318 5.2351 5.7393 5.7395 5.8258 5.8262 6.0330 6.0334 9.8570 9.8589 10.7497 10.7513 14.0488 14.0870 14.1664 14.1706 14.3681 14.3733 14.4984 14.4992 k = 0.2368 0.1367-0.0000 ( 3757 PWs) bands (ev): -30.8408 -30.8408 -14.1471 -14.1471 -12.5228 -12.5143 -12.2623 -12.2508 -12.1685 -12.1684 -11.5663 -11.5658 -11.2299 -11.2253 -10.6801 -10.6642 -10.0595 -10.0508 -10.0282 -10.0280 -4.2295 -4.2295 -1.4998 -1.4998 0.0916 0.0925 0.8742 0.8755 0.9870 0.9872 1.5247 1.5249 2.3250 2.3289 3.3609 3.3657 4.0379 4.0381 4.5266 4.5268 4.6227 4.6227 4.6894 4.6896 4.9232 4.9245 4.9945 4.9970 5.2307 5.2341 5.7298 5.7300 5.8247 5.8251 6.0402 6.0407 9.8933 9.8953 10.7713 10.7730 14.0312 14.0573 14.1561 14.1715 14.3645 14.3673 14.4907 14.4915 k = 0.2500 0.1443-0.0000 ( 3761 PWs) bands (ev): -30.8407 -30.8407 -14.1242 -14.1242 -12.5189 -12.5101 -12.2647 -12.2536 -12.1833 -12.1825 -11.5898 -11.5891 -11.2264 -11.2217 -10.6807 -10.6646 -10.0704 -10.0621 -10.0406 -10.0398 -4.1674 -4.1674 -1.5094 -1.5094 0.0957 0.0965 0.8956 0.8969 1.0126 1.0128 1.5176 1.5178 2.3580 2.3622 3.3274 3.3326 4.0238 4.0240 4.5110 4.5114 4.6199 4.6204 4.6835 4.6839 4.8951 4.8963 4.9692 4.9715 5.2348 5.2381 5.7199 5.7201 5.8227 5.8230 6.0472 6.0478 9.9272 9.9293 10.7932 10.7949 14.0058 14.0236 14.1530 14.1749 14.3641 14.3649 14.4828 14.4836 k = 0.2632 0.1519-0.0000 ( 3763 PWs) bands (ev): -30.8407 -30.8407 -14.1006 -14.1006 -12.5155 -12.5066 -12.2677 -12.2577 -12.1990 -12.1969 -11.6113 -11.6106 -11.2221 -11.2173 -10.6830 -10.6667 -10.0810 -10.0734 -10.0525 -10.0509 -4.1044 -4.1044 -1.5199 -1.5199 0.1010 0.1019 0.9175 0.9188 1.0377 1.0378 1.5122 1.5124 2.3834 2.3879 3.3020 3.3075 4.0089 4.0090 4.4571 4.4575 4.6485 4.6489 4.6774 4.6779 4.8759 4.8771 4.9405 4.9425 5.2418 5.2452 5.7095 5.7098 5.8196 5.8200 6.0542 6.0548 9.9585 9.9605 10.8151 10.8169 13.9762 13.9890 14.1533 14.1771 14.3643 14.3699 14.4749 14.4758 k = 0.2763 0.1595-0.0000 ( 3767 PWs) bands (ev): -30.8407 -30.8407 -14.0762 -14.0762 -12.5127 -12.5038 -12.2724 -12.2646 -12.2146 -12.2102 -11.6308 -11.6300 -11.2169 -11.2120 -10.6871 -10.6707 -10.0914 -10.0849 -10.0637 -10.0609 -4.0409 -4.0409 -1.5314 -1.5313 0.1076 0.1085 0.9400 0.9413 1.0618 1.0619 1.5088 1.5091 2.3996 2.4043 3.2862 3.2918 3.9926 3.9926 4.3957 4.3961 4.6709 4.6711 4.6755 4.6756 4.8686 4.8699 4.9098 4.9117 5.2502 5.2535 5.6989 5.6992 5.8157 5.8160 6.0611 6.0618 9.9869 9.9890 10.8370 10.8388 13.9452 13.9548 14.1539 14.1769 14.3685 14.3798 14.4672 14.4681 k = 0.2895 0.1671-0.0000 ( 3769 PWs) bands (ev): -30.8406 -30.8406 -14.0513 -14.0513 -12.5105 -12.5017 -12.2805 -12.2762 -12.2281 -12.2203 -11.6480 -11.6471 -11.2108 -11.2058 -10.6930 -10.6766 -10.1017 -10.0965 -10.0738 -10.0698 -3.9773 -3.9773 -1.5437 -1.5437 0.1154 0.1162 0.9628 0.9641 1.0846 1.0847 1.5076 1.5079 2.4057 2.4104 3.2806 3.2863 3.9741 3.9742 4.3347 4.3350 4.6649 4.6655 4.6889 4.6889 4.8750 4.8752 4.8817 4.8824 5.2586 5.2619 5.6880 5.6883 5.8109 5.8113 6.0681 6.0688 10.0124 10.0145 10.8587 10.8605 13.9142 13.9216 14.1537 14.1744 14.3766 14.3941 14.4597 14.4606 k = 0.3026 0.1747-0.0000 ( 3777 PWs) bands (ev): -30.8406 -30.8406 -14.0259 -14.0259 -12.5092 -12.5007 -12.2941 -12.2930 -12.2372 -12.2265 -11.6631 -11.6621 -11.2039 -11.1987 -10.7008 -10.6845 -10.1121 -10.1082 -10.0825 -10.0774 -3.9139 -3.9139 -1.5570 -1.5569 0.1241 0.1250 0.9860 0.9873 1.1057 1.1058 1.5088 1.5091 2.4014 2.4061 3.2856 3.2912 3.9525 3.9526 4.2775 4.2779 4.6591 4.6598 4.6884 4.6884 4.8458 4.8474 4.9021 4.9033 5.2665 5.2698 5.6770 5.6772 5.8054 5.8058 6.0751 6.0757 10.0350 10.0371 10.8802 10.8820 13.8838 13.8897 14.1520 14.1699 14.3884 14.4118 14.4530 14.4536 k = 0.3158 0.1823-0.0000 ( 3777 PWs) bands (ev): -30.8406 -30.8406 -14.0001 -14.0001 -12.5088 -12.5008 -12.3139 -12.3130 -12.2418 -12.2295 -11.6758 -11.6748 -11.1960 -11.1908 -10.7104 -10.6943 -10.1227 -10.1199 -10.0896 -10.0837 -3.8511 -3.8511 -1.5710 -1.5710 0.1339 0.1347 1.0093 1.0106 1.1248 1.1249 1.5127 1.5130 2.3874 2.3919 3.3003 3.3056 3.9263 3.9265 4.2269 4.2272 4.6537 4.6544 4.6781 4.6781 4.8143 4.8158 4.9361 4.9372 5.2731 5.2764 5.6657 5.6660 5.7993 5.7998 6.0820 6.0827 10.0547 10.0567 10.9012 10.9030 13.8546 13.8594 14.1491 14.1641 14.4032 14.4302 14.4475 14.4491 k = 0.3289 0.1899-0.0000 ( 3777 PWs) bands (ev): -30.8405 -30.8405 -13.9742 -13.9742 -12.5096 -12.5022 -12.3369 -12.3349 -12.2433 -12.2306 -11.6865 -11.6854 -11.1872 -11.1818 -10.7217 -10.7059 -10.1334 -10.1314 -10.0952 -10.0889 -3.7893 -3.7893 -1.5857 -1.5857 0.1444 0.1452 1.0327 1.0340 1.1417 1.1418 1.5191 1.5195 2.3651 2.3693 3.3230 3.3280 3.8945 3.8947 4.1848 4.1851 4.6488 4.6495 4.6627 4.6627 4.7835 4.7849 4.9748 4.9758 5.2782 5.2815 5.6545 5.6548 5.7930 5.7935 6.0889 6.0896 10.0715 10.0735 10.9218 10.9236 13.8268 13.8307 14.1451 14.1576 14.4190 14.4352 14.4438 14.4614 k = 0.3421 0.1975-0.0000 ( 3781 PWs) bands (ev): -30.8405 -30.8405 -13.9484 -13.9484 -12.5119 -12.5054 -12.3607 -12.3579 -12.2431 -12.2306 -11.6953 -11.6942 -11.1775 -11.1720 -10.7345 -10.7192 -10.1440 -10.1427 -10.0995 -10.0930 -3.7290 -3.7290 -1.6011 -1.6010 0.1555 0.1563 1.0559 1.0572 1.1563 1.1563 1.5282 1.5285 2.3363 2.3400 3.3521 3.3566 3.8567 3.8570 4.1523 4.1526 4.6434 4.6434 4.6458 4.6466 4.7537 4.7551 5.0150 5.0159 5.2815 5.2848 5.6432 5.6436 5.7865 5.7871 6.0957 6.0963 10.0857 10.0876 10.9417 10.9434 13.8006 13.8039 14.1404 14.1507 14.4274 14.4311 14.4504 14.4851 k = 0.3553 0.2051-0.0000 ( 3777 PWs) bands (ev): -30.8405 -30.8405 -13.9227 -13.9227 -12.5162 -12.5108 -12.3839 -12.3804 -12.2419 -12.2300 -11.7023 -11.7012 -11.1669 -11.1613 -10.7489 -10.7340 -10.1543 -10.1534 -10.1026 -10.0962 -3.6706 -3.6706 -1.6168 -1.6168 0.1670 0.1678 1.0787 1.0799 1.1687 1.1688 1.5395 1.5398 2.3027 2.3060 3.3854 3.3895 3.8141 3.8145 4.1288 4.1291 4.6253 4.6254 4.6412 4.6420 4.7253 4.7267 5.0550 5.0559 5.2829 5.2862 5.6321 5.6324 5.7801 5.7808 6.1023 6.1029 10.0974 10.0992 10.9608 10.9624 13.7760 13.7788 14.1354 14.1438 14.4256 14.4265 14.4695 14.5111 k = 0.3684 0.2127-0.0000 ( 3765 PWs) bands (ev): -30.8404 -30.8404 -13.8976 -13.8976 -12.5231 -12.5189 -12.4051 -12.4009 -12.2401 -12.2288 -11.7078 -11.7067 -11.1555 -11.1497 -10.7644 -10.7501 -10.1642 -10.1636 -10.1047 -10.0986 -3.6146 -3.6146 -1.6329 -1.6328 0.1786 0.1794 1.1006 1.1018 1.1795 1.1795 1.5526 1.5529 2.2660 2.2689 3.4213 3.4250 3.7687 3.7691 4.1129 4.1131 4.6059 4.6060 4.6380 4.6387 4.6988 4.7002 5.0938 5.0946 5.2825 5.2857 5.6212 5.6215 5.7741 5.7748 6.1087 6.1092 10.1068 10.1085 10.9790 10.9805 13.7533 13.7556 14.1304 14.1373 14.4222 14.4224 14.4922 14.5380 k = 0.3816 0.2203-0.0000 ( 3767 PWs) bands (ev): -30.8404 -30.8404 -13.8732 -13.8732 -12.5333 -12.5304 -12.4231 -12.4183 -12.2379 -12.2275 -11.7121 -11.7111 -11.1432 -11.1373 -10.7810 -10.7673 -10.1736 -10.1731 -10.1060 -10.1004 -3.5615 -3.5615 -1.6489 -1.6488 0.1903 0.1910 1.1211 1.1222 1.1892 1.1892 1.5671 1.5674 2.2277 2.2302 3.4580 3.4613 3.7227 3.7231 4.1028 4.1030 4.5866 4.5867 4.6345 4.6350 4.6751 4.6767 5.1306 5.1314 5.2803 5.2834 5.6105 5.6108 5.7685 5.7692 6.1147 6.1152 10.1142 10.1158 10.9960 10.9975 13.7323 13.7342 14.1255 14.1311 14.4189 14.4189 14.5162 14.5650 k = 0.3947 0.2279-0.0000 ( 3764 PWs) bands (ev): -30.8404 -30.8404 -13.8499 -13.8499 -12.5469 -12.5451 -12.4369 -12.4318 -12.2354 -12.2260 -11.7154 -11.7144 -11.1302 -11.1241 -10.7983 -10.7854 -10.1822 -10.1819 -10.1067 -10.1016 -3.5118 -3.5118 -1.6646 -1.6646 0.2016 0.2023 1.1392 1.1402 1.1989 1.1989 1.5823 1.5826 2.1891 2.1913 3.4943 3.4972 3.6779 3.6782 4.0970 4.0972 4.5678 4.5679 4.6282 4.6283 4.6570 4.6588 5.1651 5.1659 5.2765 5.2795 5.6002 5.6005 5.7635 5.7642 6.1202 6.1207 10.1199 10.1213 11.0118 11.0131 13.7133 13.7149 14.1210 14.1255 14.4160 14.4162 14.5409 14.5917 k = 0.4079 0.2355-0.0000 ( 3758 PWs) bands (ev): -30.8404 -30.8404 -13.8280 -13.8280 -12.5631 -12.5621 -12.4469 -12.4418 -12.2329 -12.2245 -11.7177 -11.7169 -11.1165 -11.1103 -10.8162 -10.8039 -10.1900 -10.1898 -10.1070 -10.1024 -3.4661 -3.4661 -1.6798 -1.6798 0.2124 0.2130 1.1538 1.1545 1.2098 1.2099 1.5976 1.5978 2.1515 2.1534 3.5286 3.5312 3.6360 3.6364 4.0944 4.0946 4.5500 4.5500 4.6153 4.6154 4.6484 4.6501 5.1968 5.1975 5.2714 5.2742 5.5904 5.5907 5.7592 5.7599 6.1254 6.1258 10.1241 10.1254 11.0262 11.0274 13.6962 13.6975 14.1168 14.1205 14.4137 14.4139 14.5657 14.6175 k = 0.4211 0.2431-0.0000 ( 3744 PWs) bands (ev): -30.8403 -30.8403 -13.8079 -13.8078 -12.5805 -12.5800 -12.4537 -12.4490 -12.2304 -12.2231 -11.7194 -11.7186 -11.1023 -11.0961 -10.8342 -10.8228 -10.1970 -10.1968 -10.1069 -10.1029 -3.4249 -3.4249 -1.6940 -1.6940 0.2224 0.2229 1.1641 1.1646 1.2225 1.2228 1.6123 1.6125 2.1160 2.1175 3.5584 3.5607 3.5998 3.6003 4.0941 4.0942 4.5333 4.5334 4.5988 4.5990 4.6462 4.6476 5.2253 5.2260 5.2656 5.2681 5.5812 5.5815 5.7555 5.7562 6.1299 6.1303 10.1271 10.1282 11.0390 11.0400 13.6812 13.6823 14.1132 14.1161 14.4120 14.4122 14.5903 14.6416 k = 0.4342 0.2507-0.0000 ( 3752 PWs) bands (ev): -30.8403 -30.8403 -13.7899 -13.7899 -12.5977 -12.5973 -12.4583 -12.4542 -12.2280 -12.2219 -11.7206 -11.7199 -11.0879 -11.0817 -10.8521 -10.8415 -10.2030 -10.2029 -10.1066 -10.1033 -3.3889 -3.3889 -1.7069 -1.7069 0.2313 0.2318 1.1707 1.1710 1.2365 1.2368 1.6259 1.6261 2.0835 2.0847 3.5571 3.5576 3.5963 3.5973 4.0951 4.0953 4.5183 4.5184 4.5829 4.5832 4.6463 4.6476 5.2502 5.2510 5.2597 5.2616 5.5728 5.5731 5.7526 5.7531 6.1339 6.1342 10.1292 10.1301 11.0501 11.0510 13.6683 13.6692 14.1101 14.1124 14.4106 14.4108 14.6140 14.6631 k = 0.4474 0.2583-0.0000 ( 3758 PWs) bands (ev): -30.8403 -30.8403 -13.7745 -13.7745 -12.6132 -12.6131 -12.4614 -12.4581 -12.2259 -12.2210 -11.7214 -11.7208 -11.0735 -11.0675 -10.8691 -10.8596 -10.2079 -10.2079 -10.1062 -10.1035 -3.3585 -3.3585 -1.7182 -1.7182 0.2390 0.2394 1.1747 1.1749 1.2502 1.2506 1.6377 1.6379 2.0551 2.0561 3.5309 3.5310 3.6184 3.6195 4.0971 4.0972 4.5052 4.5053 4.5691 4.5694 4.6474 4.6484 5.2531 5.2550 5.2720 5.2724 5.5653 5.5656 5.7503 5.7507 6.1372 6.1375 10.1306 10.1313 11.0594 11.0601 13.6576 13.6583 14.1076 14.1093 14.4097 14.4099 14.6365 14.6811 k = 0.4605 0.2659-0.0000 ( 3760 PWs) bands (ev): -30.8403 -30.8403 -13.7621 -13.7621 -12.6263 -12.6262 -12.4634 -12.4608 -12.2240 -12.2203 -11.7218 -11.7214 -11.0597 -11.0543 -10.8845 -10.8765 -10.2119 -10.2119 -10.1057 -10.1037 -3.3342 -3.3342 -1.7274 -1.7274 0.2452 0.2455 1.1770 1.1772 1.2624 1.2627 1.6474 1.6475 2.0318 2.0325 3.5084 3.5084 3.6379 3.6388 4.0993 4.0993 4.4945 4.4946 4.5580 4.5582 4.6488 4.6496 5.2478 5.2493 5.2891 5.2894 5.5590 5.5593 5.7486 5.7489 6.1398 6.1400 10.1315 10.1320 11.0668 11.0673 13.6492 13.6497 14.1056 14.1068 14.4090 14.4092 14.6571 14.6944 k = 0.4737 0.2735-0.0000 ( 3760 PWs) bands (ev): -30.8403 -30.8403 -13.7529 -13.7529 -12.6361 -12.6361 -12.4646 -12.4628 -12.2225 -12.2200 -11.7221 -11.7218 -11.0476 -11.0432 -10.8972 -10.8910 -10.2147 -10.2147 -10.1052 -10.1038 -3.3166 -3.3166 -1.7342 -1.7342 0.2498 0.2500 1.1784 1.1785 1.2719 1.2722 1.6546 1.6547 2.0144 2.0149 3.4917 3.4918 3.6525 3.6531 4.1012 4.1013 4.4866 4.4866 4.5498 4.5499 4.6501 4.6507 5.2437 5.2447 5.3017 5.3019 5.5543 5.5544 5.7474 5.7477 6.1418 6.1419 10.1320 10.1324 11.0721 11.0725 13.6432 13.6435 14.1043 14.1050 14.4086 14.4087 14.6751 14.7021 k = 0.4868 0.2811-0.0000 ( 3760 PWs) bands (ev): -30.8403 -30.8403 -13.7473 -13.7473 -12.6422 -12.6422 -12.4650 -12.4642 -12.2213 -12.2200 -11.7222 -11.7221 -11.0384 -11.0359 -10.9052 -10.9018 -10.2164 -10.2164 -10.1047 -10.1041 -3.3058 -3.3058 -1.7384 -1.7384 0.2526 0.2527 1.1791 1.1791 1.2780 1.2781 1.6590 1.6591 2.0037 2.0039 3.4816 3.4816 3.6615 3.6618 4.1026 4.1026 4.4817 4.4817 4.5448 4.5449 4.6511 4.6513 5.2412 5.2417 5.3095 5.3096 5.5513 5.5514 5.7468 5.7469 6.1429 6.1430 10.1323 10.1325 11.0754 11.0756 13.6396 13.6398 14.1035 14.1039 14.4084 14.4085 14.6895 14.7038 k = 0.5000 0.2887-0.0000 ( 3764 PWs) bands (ev): -30.8403 -30.8403 -13.7454 -13.7454 -12.6442 -12.6442 -12.4649 -12.4649 -12.2205 -12.2205 -11.7222 -11.7222 -11.0341 -11.0341 -10.9070 -10.9070 -10.2170 -10.2170 -10.1044 -10.1044 -3.3022 -3.3022 -1.7399 -1.7399 0.2536 0.2536 1.1793 1.1793 1.2802 1.2802 1.6605 1.6605 2.0001 2.0001 3.4782 3.4782 3.6646 3.6646 4.1031 4.1031 4.4800 4.4800 4.5432 4.5432 4.6515 4.6515 5.2405 5.2405 5.3122 5.3122 5.5503 5.5503 5.7466 5.7466 6.1433 6.1433 10.1324 10.1324 11.0766 11.0766 13.6385 13.6385 14.1034 14.1034 14.4084 14.4084 14.6993 14.6993 k = 0.5000 0.2887-0.0000 ( 3764 PWs) bands (ev): -30.8403 -30.8403 -13.7454 -13.7454 -12.6442 -12.6442 -12.4649 -12.4649 -12.2205 -12.2205 -11.7222 -11.7222 -11.0341 -11.0341 -10.9070 -10.9070 -10.2170 -10.2170 -10.1044 -10.1044 -3.3022 -3.3022 -1.7399 -1.7399 0.2536 0.2536 1.1793 1.1793 1.2802 1.2802 1.6605 1.6605 2.0001 2.0001 3.4782 3.4782 3.6646 3.6646 4.1031 4.1031 4.4800 4.4800 4.5432 4.5432 4.6515 4.6515 5.2405 5.2405 5.3122 5.3122 5.5503 5.5503 5.7466 5.7466 6.1433 6.1433 10.1324 10.1324 11.0766 11.0766 13.6385 13.6385 14.1034 14.1034 14.4084 14.4084 14.6993 14.6993 k = 0.4924 0.3018-0.0000 ( 3764 PWs) bands (ev): -30.8403 -30.8403 -13.7447 -13.7444 -12.6527 -12.6461 -12.4648 -12.4576 -12.2195 -12.2182 -11.7229 -11.7217 -11.0339 -11.0331 -10.9093 -10.9083 -10.2227 -10.2225 -10.0990 -10.0987 -3.3001 -3.3000 -1.7415 -1.7415 0.2541 0.2542 1.1793 1.1799 1.2736 1.2750 1.6657 1.6689 1.9992 2.0016 3.4763 3.4768 3.6557 3.6563 4.1108 4.1114 4.4776 4.4778 4.5464 4.5469 4.6517 4.6518 5.2361 5.2367 5.3163 5.3172 5.5491 5.5494 5.7467 5.7468 6.1429 6.1430 10.1324 10.1326 11.0757 11.0759 13.6366 13.6410 14.1018 14.1026 14.4059 14.4065 14.6982 14.7034 k = 0.4848 0.3149-0.0000 ( 3764 PWs) bands (ev): -30.8403 -30.8403 -13.7424 -13.7418 -12.6694 -12.6580 -12.4576 -12.4450 -12.2153 -12.2126 -11.7237 -11.7213 -11.0325 -11.0309 -10.9153 -10.9132 -10.2373 -10.2370 -10.0851 -10.0846 -3.2936 -3.2935 -1.7463 -1.7463 0.2557 0.2559 1.1796 1.1808 1.2573 1.2597 1.6832 1.6894 1.9987 2.0036 3.4712 3.4723 3.6313 3.6325 4.1327 4.1339 4.4719 4.4721 4.5553 4.5563 4.6525 4.6527 5.2259 5.2268 5.3277 5.3292 5.5458 5.5466 5.7470 5.7472 6.1418 6.1419 10.1326 10.1329 11.0733 11.0736 13.6353 13.6441 14.0978 14.0994 14.3992 14.4002 14.6998 14.7101 k = 0.4773 0.3280-0.0000 ( 3774 PWs) bands (ev): -30.8403 -30.8403 -13.7385 -13.7375 -12.6917 -12.6772 -12.4460 -12.4300 -12.2077 -12.2036 -11.7247 -11.7210 -11.0301 -11.0274 -10.9248 -10.9217 -10.2566 -10.2563 -10.0667 -10.0661 -3.2827 -3.2826 -1.7543 -1.7542 0.2584 0.2587 1.1779 1.1796 1.2362 1.2389 1.7100 1.7191 1.9987 2.0065 3.4628 3.4647 3.5953 3.5969 4.1652 4.1667 4.4648 4.4650 4.5680 4.5693 4.6538 4.6542 5.2129 5.2140 5.3429 5.3448 5.5407 5.5419 5.7476 5.7479 6.1398 6.1400 10.1328 10.1334 11.0694 11.0699 13.6345 13.6479 14.0912 14.0938 14.3889 14.3899 14.7031 14.7192 k = 0.4697 0.3412-0.0000 ( 3770 PWs) bands (ev): -30.8403 -30.8403 -13.7329 -13.7316 -12.7175 -12.7012 -12.4326 -12.4148 -12.1965 -12.1911 -11.7258 -11.7208 -11.0266 -11.0228 -10.9377 -10.9333 -10.2784 -10.2780 -10.0462 -10.0456 -3.2677 -3.2675 -1.7654 -1.7654 0.2623 0.2627 1.1675 1.1697 1.2203 1.2219 1.7430 1.7551 1.9995 2.0104 3.4512 3.4541 3.5514 3.5536 4.2044 4.2062 4.4575 4.4577 4.5829 4.5846 4.6557 4.6563 5.1990 5.2000 5.3600 5.3623 5.5339 5.5356 5.7485 5.7488 6.1370 6.1373 10.1332 10.1340 11.0642 11.0648 13.6342 13.6524 14.0822 14.0859 14.3753 14.3766 14.7072 14.7298 k = 0.4621 0.3543-0.0000 ( 3764 PWs) bands (ev): -30.8403 -30.8403 -13.7258 -13.7241 -12.7456 -12.7282 -12.4193 -12.4009 -12.1819 -12.1750 -11.7270 -11.7206 -11.0224 -11.0169 -10.9539 -10.9476 -10.3014 -10.3009 -10.0251 -10.0244 -3.2485 -3.2482 -1.7797 -1.7797 0.2673 0.2678 1.1422 1.1452 1.2168 1.2178 1.7795 1.7952 2.0011 2.0158 3.4359 3.4408 3.5023 3.5060 4.2474 4.2495 4.4506 4.4510 4.5992 4.6014 4.6581 4.6591 5.1847 5.1857 5.3777 5.3805 5.5259 5.5282 5.7496 5.7500 6.1333 6.1337 10.1336 10.1346 11.0578 11.0586 13.6342 13.6575 14.0706 14.0759 14.3587 14.3611 14.7107 14.7414 k = 0.4545 0.3674-0.0000 ( 3762 PWs) bands (ev): -30.8403 -30.8403 -13.7171 -13.7150 -12.7752 -12.7571 -12.4071 -12.3887 -12.1640 -12.1554 -11.7283 -11.7204 -11.0185 -11.0100 -10.9729 -10.9637 -10.3251 -10.3245 -10.0039 -10.0032 -3.2252 -3.2249 -1.7971 -1.7971 0.2735 0.2742 1.1084 1.1120 1.2202 1.2221 1.8175 1.8374 2.0039 2.0234 3.4148 3.4248 3.4501 3.4582 4.2922 4.2946 4.4445 4.4452 4.6163 4.6190 4.6613 4.6626 5.1706 5.1715 5.3947 5.3982 5.5176 5.5206 5.7509 5.7514 6.1286 6.1291 10.1341 10.1352 11.0504 11.0513 13.6345 13.6632 14.0566 14.0639 14.3397 14.3439 14.7122 14.7528 k = 0.4470 0.3805-0.0000 ( 3766 PWs) bands (ev): -30.8403 -30.8403 -13.7068 -13.7043 -12.8058 -12.7871 -12.3964 -12.3786 -12.1434 -12.1328 -11.7297 -11.7201 -11.0178 -11.0022 -10.9942 -10.9781 -10.3491 -10.3483 -9.9832 -9.9824 -3.1980 -3.1977 -1.8176 -1.8175 0.2810 0.2818 1.0715 1.0755 1.2268 1.2295 1.8551 1.8805 2.0087 2.0341 3.3798 3.3941 3.4081 3.4200 4.3370 4.3400 4.4394 4.4408 4.6335 4.6370 4.6652 4.6672 5.1569 5.1578 5.4091 5.4134 5.5108 5.5148 5.7525 5.7530 6.1228 6.1233 10.1345 10.1359 11.0422 11.0433 13.6348 13.6694 14.0403 14.0503 14.3190 14.3254 14.7110 14.7621 k = 0.4394 0.3936-0.0000 ( 3770 PWs) bands (ev): -30.8403 -30.8403 -13.6951 -13.6921 -12.8370 -12.8178 -12.3873 -12.3703 -12.1205 -12.1076 -11.7312 -11.7197 -11.0280 -11.0186 -10.9927 -10.9830 -10.3733 -10.3723 -9.9632 -9.9624 -3.1671 -3.1667 -1.8410 -1.8410 0.2897 0.2907 1.0335 1.0378 1.2349 1.2381 1.8905 1.9226 2.0164 2.0490 3.3300 3.3387 3.3878 3.3936 4.3795 4.3838 4.4364 4.4392 4.6499 4.6547 4.6702 4.6734 5.1440 5.1447 5.4176 5.4226 5.5090 5.5138 5.7544 5.7548 6.1157 6.1163 10.1348 10.1364 11.0335 11.0348 13.6351 13.6761 14.0222 14.0357 14.2969 14.3058 14.7076 14.7651 k = 0.4318 0.4068-0.0000 ( 3770 PWs) bands (ev): -30.8403 -30.8403 -13.6819 -13.6783 -12.8686 -12.8490 -12.3797 -12.3636 -12.0959 -12.0804 -11.7327 -11.7190 -11.0492 -11.0440 -10.9829 -10.9780 -10.3976 -10.3963 -9.9441 -9.9433 -3.1326 -3.1322 -1.8675 -1.8674 0.2997 0.3010 0.9952 0.9998 1.2436 1.2475 1.9224 1.9608 2.0297 2.0691 3.2751 3.2820 3.3664 3.3700 4.4103 4.4164 4.4443 4.4490 4.6644 4.6705 4.6777 4.6820 5.1320 5.1326 5.4172 5.4222 5.5158 5.5205 5.7565 5.7569 6.1073 6.1080 10.1350 10.1368 11.0245 11.0260 13.6350 13.6830 14.0027 14.0206 14.2739 14.2853 14.7038 14.7596 k = 0.4242 0.4199-0.0000 ( 3768 PWs) bands (ev): -30.8403 -30.8403 -13.6673 -13.6631 -12.9004 -12.8803 -12.3733 -12.3581 -12.0702 -12.0517 -11.7340 -11.7179 -11.0755 -11.0710 -10.9723 -10.9686 -10.4220 -10.4203 -9.9261 -9.9253 -3.0948 -3.0943 -1.8968 -1.8968 0.3111 0.3126 0.9573 0.9621 1.2526 1.2569 1.9500 1.9902 2.0531 2.0949 3.2188 3.2251 3.3439 3.3466 4.4180 4.4214 4.4785 4.4807 4.6763 4.6805 4.6913 4.6937 5.1214 5.1219 5.4085 5.4128 5.5305 5.5346 5.7590 5.7592 6.0976 6.0984 10.1351 10.1370 11.0155 11.0172 13.6346 13.6902 13.9825 14.0058 14.2505 14.2641 14.7009 14.7518 k = 0.4167 0.4330-0.0000 ( 3760 PWs) bands (ev): -30.8402 -30.8402 -13.6513 -13.6465 -12.9324 -12.9116 -12.3680 -12.3535 -12.0442 -12.0222 -11.7353 -11.7161 -11.1041 -11.0992 -10.9610 -10.9571 -10.4463 -10.4442 -9.9093 -9.9085 -3.0539 -3.0533 -1.9289 -1.9288 0.3239 0.3257 0.9198 0.9250 1.2614 1.2661 1.9738 2.0104 2.0870 2.1256 3.1623 3.1684 3.3206 3.3228 4.4181 4.4202 4.5169 4.5180 4.6872 4.6895 4.7061 4.7065 5.1126 5.1129 5.3941 5.3978 5.5496 5.5531 5.7618 5.7620 6.0864 6.0873 10.1350 10.1371 11.0067 11.0086 13.6335 13.6973 13.9624 13.9920 14.2269 14.2427 14.6999 14.7461 k = 0.4091 0.4461-0.0000 ( 3760 PWs) bands (ev): -30.8402 -30.8402 -13.6342 -13.6285 -12.9642 -12.9428 -12.3635 -12.3498 -12.0182 -11.9923 -11.7363 -11.7136 -11.1339 -11.1286 -10.9489 -10.9443 -10.4705 -10.4680 -9.8937 -9.8931 -3.0101 -3.0094 -1.9637 -1.9636 0.3381 0.3403 0.8832 0.8887 1.2697 1.2748 1.9953 2.0266 2.1257 2.1594 3.1063 3.1124 3.2968 3.2988 4.4172 4.4188 4.5523 4.5530 4.6994 4.7005 4.7182 4.7193 5.1060 5.1063 5.3764 5.3796 5.5707 5.5737 5.7651 5.7653 6.0737 6.0747 10.1347 10.1369 10.9984 11.0004 13.6316 13.7042 13.9430 13.9797 14.2035 14.2210 14.7011 14.7434 k = 0.4015 0.4593-0.0000 ( 3756 PWs) bands (ev): -30.8402 -30.8402 -13.6159 -13.6094 -12.9959 -12.9737 -12.3598 -12.3466 -11.9931 -11.9625 -11.7371 -11.7101 -11.1642 -11.1585 -10.9361 -10.9307 -10.4945 -10.4914 -9.8796 -9.8789 -2.9636 -2.9629 -2.0011 -2.0010 0.3536 0.3563 0.8473 0.8534 1.2773 1.2827 2.0158 2.0425 2.1652 2.1946 3.0512 3.0574 3.2731 3.2751 4.4164 4.4176 4.5831 4.5835 4.7132 4.7150 4.7277 4.7308 5.1020 5.1023 5.3566 5.3596 5.5922 5.5949 5.7691 5.7693 6.0595 6.0606 10.1342 10.1365 10.9906 10.9928 13.6290 13.7104 13.9252 13.9695 14.1805 14.1995 14.7046 14.7439 k = 0.3939 0.4724-0.0000 ( 3758 PWs) bands (ev): -30.8402 -30.8402 -13.5968 -13.5891 -13.0273 -13.0041 -12.3566 -12.3439 -11.9694 -11.9335 -11.7374 -11.7054 -11.1945 -11.1885 -10.9226 -10.9163 -10.5183 -10.5145 -9.8669 -9.8663 -2.9149 -2.9141 -2.0410 -2.0408 0.3705 0.3737 0.8123 0.8190 1.2840 1.2897 2.0364 2.0594 2.2035 2.2296 2.9976 3.0040 3.2498 3.2518 4.4159 4.4169 4.6081 4.6083 4.7269 4.7334 4.7347 4.7424 5.1007 5.1012 5.3357 5.3386 5.6132 5.6156 5.7740 5.7745 6.0439 6.0450 10.1335 10.1360 10.9835 10.9859 13.6255 13.7156 13.9097 13.9616 14.1583 14.1785 14.7103 14.7472 k = 0.3864 0.4855-0.0000 ( 3758 PWs) bands (ev): -30.8402 -30.8402 -13.5770 -13.5679 -13.0582 -13.0337 -12.3540 -12.3417 -11.9478 -11.9058 -11.7371 -11.6991 -11.2242 -11.2181 -10.9088 -10.9015 -10.5416 -10.5370 -9.8557 -9.8551 -2.8643 -2.8633 -2.0832 -2.0829 0.3887 0.3927 0.7783 0.7857 1.2896 1.2956 2.0575 2.0778 2.2395 2.2630 2.9462 2.9529 3.2274 3.2295 4.4157 4.4166 4.6272 4.6275 4.7352 4.7380 4.7556 4.7594 5.1025 5.1030 5.3143 5.3172 5.6329 5.6351 5.7803 5.7810 6.0269 6.0282 10.1326 10.1353 10.9773 10.9799 13.6215 13.7195 13.8971 13.9561 14.1373 14.1581 14.7178 14.7529 k = 0.3788 0.4986-0.0000 ( 3766 PWs) bands (ev): -30.8402 -30.8402 -13.5568 -13.5462 -13.0883 -13.0622 -12.3518 -12.3398 -11.9288 -11.8803 -11.7358 -11.6913 -11.2528 -11.2466 -10.8948 -10.8864 -10.5642 -10.5586 -9.8459 -9.8454 -2.8121 -2.8110 -2.1275 -2.1271 0.4081 0.4130 0.7452 0.7536 1.2942 1.3004 2.0794 2.0977 2.2721 2.2937 2.8978 2.9048 3.2063 3.2085 4.4159 4.4167 4.6415 4.6420 4.7376 4.7388 4.7791 4.7811 5.1068 5.1075 5.2931 5.2960 5.6504 5.6524 5.7883 5.7895 6.0087 6.0101 10.1317 10.1344 10.9720 10.9747 13.6171 13.7218 13.8878 13.9530 14.1178 14.1388 14.7268 14.7607 k = 0.3712 0.5117-0.0000 ( 3762 PWs) bands (ev): -30.8402 -30.8402 -13.5367 -13.5242 -13.1172 -13.0893 -12.3500 -12.3382 -11.9128 -11.8578 -11.7332 -11.6821 -11.2795 -11.2735 -10.8810 -10.8715 -10.5857 -10.5790 -9.8377 -9.8373 -2.7588 -2.7576 -2.1736 -2.1730 0.4285 0.4347 0.7131 0.7228 1.2978 1.3041 2.1017 2.1186 2.3004 2.3204 2.8537 2.8608 3.1870 3.1893 4.4163 4.4170 4.6523 4.6529 4.7365 4.7372 4.8025 4.8036 5.1132 5.1140 5.2726 5.2758 5.6650 5.6669 5.7987 5.8002 5.9896 5.9910 10.1308 10.1336 10.9677 10.9704 13.6126 13.7226 13.8820 13.9519 14.1003 14.1210 14.7370 14.7703 k = 0.3636 0.5249-0.0000 ( 3764 PWs) bands (ev): -30.8402 -30.8402 -13.5174 -13.5026 -13.1443 -13.1142 -12.3485 -12.3370 -11.9001 -11.8393 -11.7291 -11.6720 -11.3034 -11.2978 -10.8679 -10.8570 -10.6056 -10.5977 -9.8311 -9.8307 -2.7052 -2.7037 -2.2210 -2.2202 0.4497 0.4578 0.6819 0.6935 1.3004 1.3068 2.1240 2.1399 2.3231 2.3416 2.8153 2.8223 3.1701 3.1725 4.4170 4.4176 4.6606 4.6611 4.7334 4.7338 4.8240 4.8247 5.1208 5.1216 5.2538 5.2573 5.6764 5.6781 5.8113 5.8133 5.9697 5.9713 10.1299 10.1328 10.9642 10.9671 13.6084 13.7220 13.8790 13.9523 14.0853 14.1050 14.7479 14.7812 k = 0.3561 0.5380-0.0000 ( 3764 PWs) bands (ev): -30.8402 -30.8402 -13.4999 -13.4824 -13.1688 -13.1360 -12.3474 -12.3360 -11.8907 -11.8256 -11.7238 -11.6619 -11.3236 -11.3186 -10.8562 -10.8438 -10.6233 -10.6139 -9.8259 -9.8256 -2.6523 -2.6504 -2.2689 -2.2678 0.4710 0.4819 0.6516 0.6661 1.3021 1.3087 2.1453 2.1608 2.3391 2.3560 2.7843 2.7908 3.1560 3.1584 4.4177 4.4182 4.6668 4.6673 4.7293 4.7297 4.8424 4.8427 5.1283 5.1293 5.2376 5.2416 5.6845 5.6861 5.8259 5.8285 5.9495 5.9515 10.1291 10.1320 10.9617 10.9647 13.6048 13.7207 13.8781 13.9536 14.0732 14.0913 14.7590 14.7932 k = 0.3485 0.5511-0.0000 ( 3764 PWs) bands (ev): -30.8402 -30.8402 -13.4854 -13.4652 -13.1890 -13.1535 -12.3466 -12.3353 -11.8843 -11.8166 -11.7183 -11.6532 -11.3390 -11.3347 -10.8468 -10.8329 -10.6375 -10.6267 -9.8222 -9.8220 -2.6023 -2.5999 -2.3154 -2.3138 0.4912 0.5069 0.6225 0.6418 1.3032 1.3098 2.1641 2.1797 2.3478 2.3632 2.7623 2.7680 3.1452 3.1477 4.4184 4.4189 4.6711 4.6716 4.7254 4.7258 4.8564 4.8566 5.1344 5.1357 5.2254 5.2299 5.6897 5.6913 5.8414 5.8450 5.9297 5.9323 10.1285 10.1314 10.9600 10.9630 13.6020 13.7192 13.8784 13.9551 14.0646 14.0807 14.7693 14.8059 k = 0.3409 0.5642-0.0000 ( 3760 PWs) bands (ev): -30.8402 -30.8402 -13.4756 -13.4531 -13.2028 -13.1651 -12.3461 -12.3348 -11.8807 -11.8117 -11.7140 -11.6472 -11.3486 -11.3448 -10.8405 -10.8256 -10.6469 -10.6350 -9.8201 -9.8199 -2.5609 -2.5577 -2.3551 -2.3526 0.5075 0.5319 0.5952 0.6232 1.3037 1.3103 2.1780 2.1940 2.3501 2.3645 2.7500 2.7546 3.1384 3.1410 4.4189 4.4193 4.6735 4.6740 4.7226 4.7230 4.8652 4.8654 5.1380 5.1397 5.2181 5.2232 5.6925 5.6941 5.8557 5.8609 5.9118 5.9160 10.1281 10.1311 10.9591 10.9621 13.6003 13.7181 13.8789 13.9562 14.0596 14.0739 14.7773 14.8187 k = 0.3333 0.5774-0.0000 ( 3750 PWs) bands (ev): -30.8402 -30.8402 -13.4721 -13.4487 -13.2078 -13.1692 -12.3459 -12.3347 -11.8795 -11.8102 -11.7124 -11.6451 -11.3519 -11.3483 -10.8384 -10.8229 -10.6503 -10.6379 -9.8193 -9.8193 -2.5426 -2.5388 -2.3730 -2.3700 0.5143 0.5483 0.5781 0.6156 1.3038 1.3105 2.1834 2.1998 2.3497 2.3637 2.7463 2.7504 3.1360 3.1386 4.4191 4.4195 4.6742 4.6746 4.7217 4.7221 4.8683 4.8684 5.1390 5.1409 5.2160 5.2212 5.6933 5.6949 5.8626 5.8697 5.9025 5.9084 10.1280 10.1310 10.9588 10.9618 13.5997 13.7177 13.8791 13.9566 14.0581 14.0715 14.7806 14.8275 k = 0.3333 0.5774-0.0000 ( 3750 PWs) bands (ev): -30.8402 -30.8402 -13.4721 -13.4487 -13.2078 -13.1692 -12.3459 -12.3347 -11.8795 -11.8102 -11.7124 -11.6451 -11.3519 -11.3483 -10.8384 -10.8229 -10.6503 -10.6379 -9.8193 -9.8193 -2.5426 -2.5388 -2.3730 -2.3700 0.5143 0.5483 0.5781 0.6156 1.3038 1.3105 2.1834 2.1998 2.3497 2.3637 2.7463 2.7504 3.1360 3.1386 4.4191 4.4195 4.6742 4.6746 4.7217 4.7221 4.8683 4.8684 5.1390 5.1409 5.2160 5.2212 5.6933 5.6949 5.8626 5.8697 5.9025 5.9084 10.1280 10.1310 10.9588 10.9618 13.5997 13.7177 13.8791 13.9566 14.0581 14.0715 14.7806 14.8275 k = 0.3258 0.5642-0.0000 ( 3756 PWs) bands (ev): -30.8402 -30.8402 -13.4758 -13.4533 -13.2026 -13.1650 -12.3461 -12.3348 -11.8806 -11.8115 -11.7140 -11.6472 -11.3488 -11.3450 -10.8405 -10.8255 -10.6469 -10.6350 -9.8200 -9.8199 -2.5613 -2.5581 -2.3547 -2.3522 0.5074 0.5318 0.5952 0.6231 1.3037 1.3104 2.1771 2.1928 2.3519 2.3659 2.7493 2.7539 3.1386 3.1411 4.4188 4.4193 4.6738 4.6743 4.7225 4.7229 4.8652 4.8654 5.1384 5.1402 5.2174 5.2225 5.6926 5.6942 5.8561 5.8614 5.9114 5.9156 10.1281 10.1311 10.9590 10.9621 13.6003 13.7182 13.8789 13.9563 14.0596 14.0738 14.7769 14.8179 k = 0.3182 0.5511-0.0000 ( 3756 PWs) bands (ev): -30.8402 -30.8402 -13.4865 -13.4664 -13.1879 -13.1526 -12.3466 -12.3353 -11.8837 -11.8156 -11.7184 -11.6529 -11.3399 -11.3357 -10.8463 -10.8324 -10.6376 -10.6268 -9.8221 -9.8219 -2.6048 -2.6025 -2.3133 -2.3117 0.4908 0.5065 0.6223 0.6415 1.3036 1.3102 2.1580 2.1719 2.3598 2.3733 2.7568 2.7626 3.1464 3.1490 4.4181 4.4187 4.6733 4.6738 4.7246 4.7252 4.8564 4.8567 5.1374 5.1389 5.2204 5.2252 5.6905 5.6922 5.8435 5.8472 5.9277 5.9305 10.1285 10.1315 10.9597 10.9627 13.6021 13.7194 13.8786 13.9555 14.0641 14.0800 14.7664 14.8022 k = 0.3106 0.5380-0.0000 ( 3764 PWs) bands (ev): -30.8402 -30.8402 -13.5031 -13.4861 -13.1656 -13.1333 -12.3474 -12.3361 -11.8887 -11.8225 -11.7243 -11.6613 -11.3265 -11.3218 -10.8547 -10.8420 -10.6236 -10.6141 -9.8255 -9.8251 -2.6589 -2.6571 -2.2639 -2.2628 0.4698 0.4807 0.6507 0.6651 1.3037 1.3102 2.1283 2.1399 2.3725 2.3855 2.7672 2.7743 3.1599 3.1625 4.4170 4.4176 4.6736 4.6742 4.7273 4.7283 4.8424 4.8428 5.1366 5.1379 5.2232 5.2276 5.6872 5.6890 5.8308 5.8336 5.9450 5.9472 10.1291 10.1321 10.9606 10.9636 13.6050 13.7213 13.8789 13.9549 14.0715 14.0892 14.7513 14.7846 k = 0.3030 0.5249-0.0000 ( 3766 PWs) bands (ev): -30.8402 -30.8402 -13.5243 -13.5101 -13.1380 -13.1085 -12.3485 -12.3371 -11.8955 -11.8322 -11.7305 -11.6709 -11.3100 -11.3048 -10.8643 -10.8529 -10.6063 -10.5980 -9.8301 -9.8295 -2.7180 -2.7166 -2.2121 -2.2113 0.4471 0.4552 0.6793 0.6908 1.3040 1.3105 2.0911 2.1005 2.3881 2.4005 2.7788 2.7871 3.1793 3.1818 4.4155 4.4162 4.6753 4.6759 4.7301 4.7316 4.8243 4.8249 5.1361 5.1373 5.2246 5.2286 5.6829 5.6850 5.8199 5.8220 5.9621 5.9640 10.1300 10.1329 10.9617 10.9646 13.6089 13.7236 13.8804 13.9550 14.0813 14.1004 14.7334 14.7656 k = 0.2955 0.5117-0.0000 ( 3764 PWs) bands (ev): -30.8402 -30.8402 -13.5488 -13.5371 -13.1065 -13.0795 -12.3499 -12.3385 -11.9041 -11.8448 -11.7359 -11.6808 -11.2916 -11.2863 -10.8741 -10.8636 -10.5866 -10.5794 -9.8357 -9.8351 -2.7801 -2.7789 -2.1599 -2.1594 0.4239 0.4301 0.7078 0.7173 1.3047 1.3111 2.0489 2.0564 2.4050 2.4171 2.7904 2.7998 3.2045 3.2069 4.4138 4.4147 4.6786 4.6792 4.7318 4.7343 4.8035 4.8046 5.1358 5.1369 5.2238 5.2276 5.6776 5.6800 5.8114 5.8131 5.9785 5.9802 10.1309 10.1338 10.9628 10.9656 13.6138 13.7261 13.8837 13.9563 14.0931 14.1133 14.7138 14.7456 k = 0.2879 0.4986-0.0000 ( 3764 PWs) bands (ev): -30.8402 -30.8402 -13.5755 -13.5659 -13.0725 -13.0474 -12.3517 -12.3401 -11.9141 -11.8598 -11.7400 -11.6901 -11.2728 -11.2674 -10.8831 -10.8730 -10.5652 -10.5590 -9.8425 -9.8417 -2.8442 -2.8431 -2.1085 -2.1081 0.4006 0.4054 0.7355 0.7436 1.3060 1.3124 2.0033 2.0094 2.4227 2.4347 2.8012 2.8114 3.2354 3.2379 4.4122 4.4132 4.6835 4.6842 4.7295 4.7338 4.7832 4.7854 5.1357 5.1369 5.2206 5.2241 5.6715 5.6741 5.8057 5.8070 5.9939 5.9956 10.1319 10.1347 10.9637 10.9665 13.6195 13.7285 13.8895 13.9592 14.1064 14.1271 14.6929 14.7247 k = 0.2803 0.4855-0.0000 ( 3764 PWs) bands (ev): -30.8402 -30.8402 -13.6038 -13.5958 -13.0365 -13.0131 -12.3537 -12.3421 -11.9256 -11.8767 -11.7426 -11.6983 -11.2546 -11.2494 -10.8902 -10.8802 -10.5427 -10.5371 -9.8502 -9.8492 -2.9099 -2.9089 -2.0582 -2.0580 0.3775 0.3814 0.7622 0.7693 1.3081 1.3143 1.9555 1.9603 2.4411 2.4532 2.8104 2.8214 3.2719 3.2742 4.4109 4.4120 4.6883 4.6901 4.7176 4.7245 4.7710 4.7740 5.1359 5.1371 5.2144 5.2178 5.6646 5.6675 5.8027 5.8038 6.0082 6.0099 10.1327 10.1355 10.9643 10.9670 13.6260 13.7309 13.8978 13.9639 14.1208 14.1418 14.6714 14.7032 k = 0.2727 0.4724-0.0000 ( 3764 PWs) bands (ev): -30.8402 -30.8402 -13.6332 -13.6266 -12.9991 -12.9770 -12.3561 -12.3444 -11.9382 -11.8946 -11.7438 -11.7051 -11.2380 -11.2331 -10.8948 -10.8845 -10.5193 -10.5142 -9.8587 -9.8575 -2.9768 -2.9760 -2.0095 -2.0094 0.3547 0.3578 0.7874 0.7936 1.3110 1.3171 1.9063 1.9099 2.4604 2.4728 2.8176 2.8293 3.3135 3.3158 4.4101 4.4115 4.6835 4.6861 4.7056 4.7131 4.7701 4.7728 5.1364 5.1379 5.2053 5.2086 5.6571 5.6601 5.8023 5.8032 6.0214 6.0230 10.1333 10.1361 10.9644 10.9670 13.6332 13.7334 13.9088 13.9705 14.1359 14.1570 14.6494 14.6812 k = 0.2652 0.4593-0.0000 ( 3768 PWs) bands (ev): -30.8403 -30.8403 -13.6633 -13.6579 -12.9608 -12.9396 -12.3587 -12.3469 -11.9516 -11.9132 -11.7438 -11.7104 -11.2239 -11.2194 -10.8962 -10.8852 -10.4953 -10.4905 -9.8680 -9.8666 -3.0448 -3.0441 -1.9627 -1.9626 0.3323 0.3349 0.8107 0.8161 1.3148 1.3208 1.8560 1.8587 2.4809 2.4938 2.8224 2.8348 3.3599 3.3620 4.4102 4.4118 4.6565 4.6578 4.7131 4.7176 4.7745 4.7770 5.1374 5.1393 5.1930 5.1964 5.6490 5.6521 5.8042 5.8050 6.0333 6.0348 10.1335 10.1362 10.9639 10.9664 13.6411 13.7361 13.9221 13.9791 14.1515 14.1725 14.6272 14.6587 k = 0.2576 0.4461-0.0000 ( 3760 PWs) bands (ev): -30.8403 -30.8403 -13.6939 -13.6894 -12.9218 -12.9014 -12.3614 -12.3497 -11.9657 -11.9319 -11.7427 -11.7140 -11.2131 -11.2088 -10.8940 -10.8820 -10.4709 -10.4662 -9.8778 -9.8762 -3.1138 -3.1131 -1.9180 -1.9179 0.3105 0.3127 0.8318 0.8366 1.3197 1.3255 1.8050 1.8069 2.5030 2.5167 2.8245 2.8379 3.4105 3.4124 4.4113 4.4132 4.6217 4.6238 4.7244 4.7280 4.7814 4.7839 5.1388 5.1414 5.1777 5.1815 5.6404 5.6435 5.8080 5.8087 6.0439 6.0454 10.1331 10.1358 10.9626 10.9650 13.6499 13.7395 13.9377 13.9897 14.1673 14.1882 14.6050 14.6361 k = 0.2500 0.4330-0.0000 ( 3764 PWs) bands (ev): -30.8403 -30.8403 -13.7248 -13.7210 -12.8825 -12.8627 -12.3643 -12.3526 -11.9800 -11.9504 -11.7405 -11.7161 -11.2056 -11.2014 -10.8879 -10.8748 -10.4461 -10.4415 -9.8882 -9.8863 -3.1834 -3.1828 -1.8754 -1.8754 0.2893 0.2911 0.8504 0.8544 1.3256 1.3313 1.7537 1.7548 2.5268 2.5417 2.8237 2.8383 3.4649 3.4667 4.4135 4.4158 4.5845 4.5873 4.7370 4.7405 4.7897 4.7923 5.1399 5.1440 5.1600 5.1651 5.6314 5.6345 5.8134 5.8141 6.0531 6.0546 10.1319 10.1346 10.9604 10.9626 13.6597 13.7439 13.9551 14.0021 14.1831 14.2038 14.5829 14.6132 k = 0.2424 0.4199-0.0000 ( 3760 PWs) bands (ev): -30.8403 -30.8403 -13.7557 -13.7526 -12.8431 -12.8239 -12.3673 -12.3556 -11.9944 -11.9685 -11.7373 -11.7167 -11.2014 -11.1972 -10.8781 -10.8641 -10.4212 -10.4164 -9.8988 -9.8968 -3.2537 -3.2531 -1.8351 -1.8351 0.2687 0.2702 0.8661 0.8696 1.3327 1.3381 1.7022 1.7027 2.5526 2.5692 2.8199 2.8363 3.5228 3.5245 4.4163 4.4195 4.5467 4.5505 4.7504 4.7540 4.7990 4.8020 5.1331 5.1356 5.1516 5.1548 5.6219 5.6250 5.8200 5.8207 6.0610 6.0624 10.1298 10.1324 10.9570 10.9592 13.6707 13.7497 13.9740 14.0160 14.1988 14.2194 14.5611 14.5904 k = 0.2348 0.4068-0.0000 ( 3760 PWs) bands (ev): -30.8403 -30.8403 -13.7867 -13.7840 -12.8041 -12.7852 -12.3703 -12.3586 -12.0086 -11.9858 -11.7332 -11.7157 -11.2000 -11.1959 -10.8653 -10.8504 -10.3961 -10.3911 -9.9097 -9.9074 -3.3244 -3.3239 -1.7972 -1.7971 0.2490 0.2502 0.8789 0.8818 1.3407 1.3460 1.6505 1.6509 2.5801 2.5994 2.8132 2.8322 3.5837 3.5853 4.4188 4.4234 4.5101 4.5154 4.7642 4.7680 4.8094 4.8125 5.1123 5.1127 5.1565 5.1570 5.6122 5.6152 5.8276 5.8282 6.0675 6.0689 10.1264 10.1290 10.9524 10.9545 13.6831 13.7571 13.9939 14.0312 14.2140 14.2347 14.5398 14.5675 k = 0.2273 0.3936-0.0000 ( 3764 PWs) bands (ev): -30.8404 -30.8404 -13.8175 -13.8153 -12.7657 -12.7471 -12.3731 -12.3614 -12.0224 -12.0025 -11.7279 -11.7133 -11.2009 -11.1968 -10.8501 -10.8345 -10.3710 -10.3658 -9.9206 -9.9180 -3.3955 -3.3951 -1.7616 -1.7616 0.2300 0.2311 0.8887 0.8910 1.3495 1.3548 1.5987 1.5997 2.6085 2.6318 2.8036 2.8267 3.6474 3.6487 4.4169 4.4237 4.4793 4.4868 4.7781 4.7822 4.8203 4.8238 5.0862 5.0872 5.1630 5.1639 5.6022 5.6052 5.8358 5.8364 6.0727 6.0740 10.1216 10.1242 10.9464 10.9485 13.6971 13.7666 14.0147 14.0476 14.2286 14.2494 14.5194 14.5450 k = 0.2197 0.3805-0.0000 ( 3764 PWs) bands (ev): -30.8404 -30.8404 -13.8481 -13.8462 -12.7283 -12.7100 -12.3756 -12.3640 -12.0357 -12.0182 -11.7216 -11.7094 -11.2034 -11.1994 -10.8332 -10.8171 -10.3460 -10.3404 -9.9314 -9.9285 -3.4669 -3.4665 -1.7285 -1.7284 0.2119 0.2129 0.8955 0.8973 1.3590 1.3644 1.5473 1.5492 2.6359 2.6655 2.7925 2.8218 3.7134 3.7146 4.4023 4.4088 4.4667 4.4739 4.7917 4.7960 4.8316 4.8352 5.0581 5.0595 5.1712 5.1725 5.5921 5.5950 5.8444 5.8449 6.0765 6.0778 10.1152 10.1178 10.9389 10.9410 13.7130 13.7783 14.0359 14.0648 14.2421 14.2634 14.5001 14.5231 k = 0.2121 0.3674-0.0000 ( 3760 PWs) bands (ev): -30.8404 -30.8404 -13.8783 -13.8767 -12.6924 -12.6743 -12.3775 -12.3659 -12.0484 -12.0330 -11.7140 -11.7038 -11.2070 -11.2031 -10.8155 -10.7990 -10.3211 -10.3152 -9.9418 -9.9386 -3.5383 -3.5379 -1.6977 -1.6976 0.1948 0.1957 0.8994 0.9008 1.3687 1.3744 1.4966 1.4996 2.6585 2.6959 2.7840 2.8213 3.7814 3.7826 4.3754 4.3796 4.4719 4.4768 4.8044 4.8088 4.8425 4.8461 5.0294 5.0311 5.1811 5.1827 5.5820 5.5847 5.8531 5.8536 6.0790 6.0803 10.1070 10.1095 10.9300 10.9320 13.7311 13.7925 14.0573 14.0826 14.2543 14.2763 14.4825 14.5022 k = 0.2045 0.3543-0.0000 ( 3762 PWs) bands (ev): -30.8405 -30.8405 -13.9081 -13.9068 -12.6586 -12.6407 -12.3785 -12.3670 -12.0603 -12.0467 -11.7052 -11.6967 -11.2113 -11.2074 -10.7976 -10.7807 -10.2964 -10.2901 -9.9517 -9.9482 -3.6097 -3.6094 -1.6692 -1.6691 0.1788 0.1796 0.9006 0.9017 1.3770 1.3844 1.4473 1.4526 2.6698 2.7088 2.7924 2.8313 3.8512 3.8522 4.3449 4.3476 4.4841 4.4877 4.8151 4.8194 4.8521 4.8554 5.0020 5.0040 5.1924 5.1943 5.5720 5.5746 5.8618 5.8623 6.0803 6.0815 10.0967 10.0992 10.9194 10.9214 13.7513 13.8093 14.0785 14.1007 14.2645 14.2874 14.4671 14.4828 k = 0.1970 0.3412-0.0000 ( 3762 PWs) bands (ev): -30.8405 -30.8405 -13.9375 -13.9364 -12.6275 -12.6100 -12.3782 -12.3667 -12.0713 -12.0594 -11.6951 -11.6879 -11.2158 -11.2120 -10.7800 -10.7629 -10.2719 -10.2653 -9.9610 -9.9571 -3.6810 -3.6807 -1.6430 -1.6429 0.1639 0.1646 0.8994 0.9003 1.3746 1.3852 1.4083 1.4174 2.6658 2.6963 2.8253 2.8557 3.9223 3.9233 4.3148 4.3167 4.4999 4.5027 4.8209 4.8244 4.8600 4.8623 4.9793 4.9816 5.2053 5.2074 5.5622 5.5648 5.8703 5.8707 6.0803 6.0814 10.0842 10.0866 10.9074 10.9094 13.7739 13.8287 14.0990 14.1191 14.2722 14.2962 14.4548 14.4661 k = 0.1894 0.3280-0.0000 ( 3762 PWs) bands (ev): -30.8405 -30.8405 -13.9663 -13.9654 -12.5998 -12.5828 -12.3760 -12.3645 -12.0815 -12.0709 -11.6837 -11.6772 -11.2203 -11.2166 -10.7633 -10.7460 -10.2478 -10.2408 -9.9693 -9.9651 -3.7519 -3.7517 -1.6190 -1.6189 0.1501 0.1509 0.8958 0.8967 1.3412 1.3447 1.4119 1.4145 2.6485 2.6708 2.8701 2.8924 3.9942 3.9951 4.2868 4.2883 4.5184 4.5208 4.8158 4.8178 4.8679 4.8686 4.9656 4.9682 5.2196 5.2218 5.5531 5.5556 5.8784 5.8789 6.0791 6.0801 10.0692 10.0717 10.8938 10.8958 13.7990 13.8508 14.1181 14.1379 14.2770 14.3015 14.4463 14.4531 k = 0.1818 0.3149-0.0000 ( 3766 PWs) bands (ev): -30.8406 -30.8406 -13.9945 -13.9937 -12.5763 -12.5601 -12.3714 -12.3598 -12.0906 -12.0813 -11.6707 -11.6647 -11.2247 -11.2210 -10.7477 -10.7304 -10.2241 -10.2167 -9.9766 -9.9720 -3.8224 -3.8222 -1.5971 -1.5971 0.1376 0.1384 0.8903 0.8913 1.2969 1.2980 1.4230 1.4238 2.6220 2.6387 2.9202 2.9370 4.0663 4.0672 4.2616 4.2628 4.5396 4.5417 4.7960 4.7970 4.8765 4.8776 4.9621 4.9646 5.2352 5.2376 5.5447 5.5472 5.8861 5.8866 6.0767 6.0777 10.0517 10.0542 10.8788 10.8808 13.8264 13.8754 14.1348 14.1571 14.2787 14.3029 14.4419 14.4452 k = 0.1742 0.3018-0.0000 ( 3762 PWs) bands (ev): -30.8406 -30.8406 -14.0220 -14.0213 -12.5576 -12.5424 -12.3641 -12.3522 -12.0986 -12.0904 -11.6562 -11.6503 -11.2287 -11.2250 -10.7337 -10.7164 -10.2009 -10.1930 -9.9826 -9.9777 -3.8923 -3.8921 -1.5773 -1.5772 0.1265 0.1272 0.8831 0.8843 1.2517 1.2519 1.4349 1.4355 2.5889 2.6019 2.9737 2.9869 4.1375 4.1386 4.2397 4.2407 4.5635 4.5654 4.7651 4.7656 4.8863 4.8880 4.9652 4.9675 5.2522 5.2547 5.5376 5.5401 5.8933 5.8938 6.0732 6.0742 10.0316 10.0340 10.8625 10.8645 13.8560 13.9024 14.1482 14.1766 14.2774 14.3010 14.4408 14.4435 k = 0.1667 0.2887-0.0000 ( 3766 PWs) bands (ev): -30.8406 -30.8406 -14.0487 -14.0482 -12.5440 -12.5299 -12.3541 -12.3418 -12.1054 -12.0982 -11.6400 -11.6340 -11.2324 -11.2285 -10.7215 -10.7042 -10.1782 -10.1699 -9.9872 -9.9819 -3.9614 -3.9612 -1.5593 -1.5592 0.1166 0.1174 0.8745 0.8758 1.2068 1.2073 1.4473 1.4480 2.5509 2.5613 3.0295 3.0403 4.2024 4.2065 4.2229 4.2264 4.5905 4.5923 4.7283 4.7287 4.8965 4.8985 4.9711 4.9733 5.2703 5.2731 5.5319 5.5344 5.8998 5.9003 6.0687 6.0696 10.0087 10.0110 10.8450 10.8470 13.8876 13.9314 14.1576 14.1961 14.2728 14.2988 14.4432 14.4465 k = 0.1591 0.2756-0.0000 ( 3768 PWs) bands (ev): -30.8407 -30.8407 -14.0747 -14.0742 -12.5352 -12.5222 -12.3420 -12.3292 -12.1111 -12.1048 -11.6221 -11.6159 -11.2355 -11.2315 -10.7112 -10.6941 -10.1561 -10.1475 -9.9904 -9.9847 -4.0296 -4.0294 -1.5432 -1.5431 0.1082 0.1089 0.8646 0.8661 1.1631 1.1639 1.4601 1.4609 2.5089 2.5174 3.0873 3.0962 4.2027 4.2047 4.2750 4.2764 4.6212 4.6229 4.6891 4.6894 4.9067 4.9087 4.9774 4.9794 5.2896 5.2926 5.5281 5.5307 5.9056 5.9061 6.0632 6.0640 9.9830 9.9853 10.8266 10.8285 13.9207 13.9619 14.1629 14.2146 14.2652 14.2999 14.4488 14.4524 k = 0.1515 0.2624-0.0000 ( 3774 PWs) bands (ev): -30.8407 -30.8407 -14.0998 -14.0994 -12.5304 -12.5185 -12.3286 -12.3155 -12.1153 -12.1099 -11.6025 -11.5961 -11.2381 -11.2340 -10.7030 -10.6861 -10.1347 -10.1257 -9.9919 -9.9859 -4.0966 -4.0965 -1.5287 -1.5287 0.1011 0.1019 0.8538 0.8554 1.1208 1.1220 1.4732 1.4740 2.4636 2.4707 3.1465 3.1541 4.1909 4.1923 4.3341 4.3351 4.6476 4.6488 4.6591 4.6604 4.9164 4.9184 4.9828 4.9846 5.3099 5.3132 5.5264 5.5293 5.9105 5.9111 6.0567 6.0575 9.9545 9.9568 10.8073 10.8091 13.9545 13.9928 14.1648 14.2287 14.2594 14.3055 14.4565 14.4600 k = 0.1439 0.2493-0.0000 ( 3778 PWs) bands (ev): -30.8408 -30.8408 -14.1239 -14.1236 -12.5286 -12.5177 -12.3149 -12.3017 -12.1182 -12.1135 -11.5812 -11.5746 -11.2401 -11.2358 -10.6969 -10.6804 -10.1141 -10.1046 -9.9919 -9.9856 -4.1623 -4.1622 -1.5158 -1.5158 0.0955 0.0963 0.8422 0.8439 1.0802 1.0816 1.4867 1.4875 2.4157 2.4217 3.2068 3.2134 4.1815 4.1828 4.3815 4.3824 4.6157 4.6162 4.6986 4.7001 4.9256 4.9275 4.9866 4.9883 5.3311 5.3348 5.5273 5.5304 5.9147 5.9152 6.0493 6.0500 9.9234 9.9255 10.7874 10.7892 13.9878 14.0230 14.1655 14.2299 14.2664 14.3149 14.4653 14.4687 k = 0.1364 0.2362-0.0000 ( 3770 PWs) bands (ev): -30.8408 -30.8408 -14.1472 -14.1469 -12.5291 -12.5190 -12.3019 -12.2887 -12.1197 -12.1157 -11.5584 -11.5518 -11.2416 -11.2371 -10.6929 -10.6768 -10.0942 -10.0844 -9.9903 -9.9836 -4.2265 -4.2264 -1.5044 -1.5044 0.0914 0.0921 0.8299 0.8318 1.0413 1.0428 1.5004 1.5012 2.3657 2.3709 3.2679 3.2736 4.1748 4.1761 4.4084 4.4091 4.5943 4.5945 4.7462 4.7476 4.9342 4.9359 4.9889 4.9906 5.3530 5.3572 5.5308 5.5343 5.9179 5.9185 6.0410 6.0417 9.8897 9.8918 10.7671 10.7688 14.0180 14.0505 14.1683 14.2245 14.2824 14.3268 14.4748 14.4778 k = 0.1288 0.2231-0.0000 ( 3766 PWs) bands (ev): -30.8408 -30.8408 -14.1694 -14.1692 -12.5311 -12.5219 -12.2901 -12.2772 -12.1198 -12.1164 -11.5343 -11.5276 -11.2425 -11.2378 -10.6910 -10.6754 -10.0752 -10.0652 -9.9872 -9.9802 -4.2890 -4.2889 -1.4944 -1.4943 0.0886 0.0894 0.8173 0.8192 1.0043 1.0058 1.5145 1.5153 2.3143 2.3188 3.3294 3.3345 4.1706 4.1720 4.4067 4.4075 4.5925 4.5927 4.7994 4.8006 4.9420 4.9437 4.9906 4.9923 5.3755 5.3803 5.5371 5.5410 5.9202 5.9209 6.0319 6.0326 9.8537 9.8556 10.7466 10.7482 14.0406 14.0736 14.1763 14.2237 14.3002 14.3404 14.4844 14.4870 k = 0.1212 0.2099-0.0000 ( 3762 PWs) bands (ev): -30.8409 -30.8409 -14.1906 -14.1904 -12.5342 -12.5257 -12.2798 -12.2675 -12.1185 -12.1157 -11.5092 -11.5025 -11.2428 -11.2380 -10.6909 -10.6759 -10.0572 -10.0469 -9.9826 -9.9755 -4.3495 -4.3494 -1.4856 -1.4855 0.0872 0.0879 0.8043 0.8062 0.9692 0.9708 1.5288 1.5295 2.2620 2.2658 3.3912 3.3957 4.1686 4.1700 4.3815 4.3827 4.6058 4.6064 4.8539 4.8554 4.9491 4.9512 4.9944 4.9965 5.3986 5.4039 5.5460 5.5505 5.9215 5.9222 6.0219 6.0227 9.8155 9.8173 10.7261 10.7276 14.0521 14.0902 14.1912 14.2332 14.3181 14.3549 14.4938 14.4961 k = 0.1136 0.1968-0.0000 ( 3760 PWs) bands (ev): -30.8409 -30.8409 -14.2107 -14.2105 -12.5381 -12.5302 -12.2713 -12.2596 -12.1161 -12.1137 -11.4832 -11.4767 -11.2426 -11.2377 -10.6926 -10.6781 -10.0401 -10.0298 -9.9768 -9.9695 -4.4079 -4.4078 -1.4779 -1.4778 0.0871 0.0878 0.7913 0.7932 0.9361 0.9377 1.5433 1.5440 2.2093 2.2126 3.4530 3.4571 4.1684 4.1700 4.3449 4.3464 4.6238 4.6245 4.8994 4.9022 4.9554 4.9586 5.0092 5.0119 5.4220 5.4280 5.5575 5.5625 5.9217 5.9226 6.0112 6.0120 9.7755 9.7773 10.7058 10.7072 14.0542 14.0974 14.2135 14.2540 14.3358 14.3699 14.5029 14.5049 k = 0.1061 0.1837-0.0000 ( 3752 PWs) bands (ev): -30.8409 -30.8409 -14.2296 -14.2295 -12.5424 -12.5352 -12.2643 -12.2535 -12.1127 -12.1108 -11.4569 -11.4506 -11.2420 -11.2369 -10.6957 -10.6819 -10.0241 -10.0139 -9.9698 -9.9626 -4.4639 -4.4638 -1.4712 -1.4712 0.0882 0.0889 0.7782 0.7801 0.9051 0.9067 1.5578 1.5585 2.1567 2.1596 3.5146 3.5183 4.1697 4.1717 4.3036 4.3056 4.6402 4.6410 4.9227 4.9264 4.9613 4.9649 5.0485 5.0515 5.4457 5.4524 5.5713 5.5770 5.9208 5.9219 5.9996 6.0007 9.7341 9.7358 10.6859 10.6872 14.0514 14.0963 14.2417 14.2813 14.3530 14.3850 14.5115 14.5132 k = 0.0985 0.1706-0.0000 ( 3746 PWs) bands (ev): -30.8410 -30.8410 -14.2474 -14.2474 -12.5469 -12.5403 -12.2588 -12.2488 -12.1087 -12.1072 -11.4304 -11.4244 -11.2408 -11.2358 -10.7000 -10.6870 -10.0092 -9.9994 -9.9617 -9.9549 -4.5173 -4.5173 -1.4655 -1.4655 0.0904 0.0912 0.7653 0.7671 0.8764 0.8779 1.5725 1.5731 2.1048 2.1073 3.5759 3.5792 4.1718 4.1745 4.2611 4.2640 4.6523 4.6533 4.9292 4.9324 4.9666 4.9697 5.1069 5.1098 5.4696 5.4770 5.5872 5.5934 5.9189 5.9202 5.9874 5.9887 9.6917 9.6933 10.6665 10.6677 14.0464 14.0908 14.2727 14.3110 14.3696 14.3999 14.5195 14.5210 k = 0.0909 0.1575-0.0000 ( 3750 PWs) bands (ev): -30.8410 -30.8410 -14.2640 -14.2640 -12.5515 -12.5455 -12.2545 -12.2455 -12.1044 -12.1032 -11.4041 -11.3985 -11.2393 -11.2343 -10.7054 -10.6931 -9.9954 -9.9862 -9.9529 -9.9467 -4.5679 -4.5679 -1.4606 -1.4606 0.0937 0.0944 0.7525 0.7543 0.8499 0.8514 1.5870 1.5876 2.0541 2.0563 3.6366 3.6396 4.1731 4.1780 4.2193 4.2244 4.6586 4.6597 4.9303 4.9328 4.9712 4.9737 5.1720 5.1749 5.4935 5.5016 5.6049 5.6116 5.9158 5.9174 5.9743 5.9760 9.6488 9.6503 10.6478 10.6489 14.0408 14.0836 14.3038 14.3404 14.3855 14.4144 14.5268 14.5282 k = 0.0833 0.1443-0.0000 ( 3754 PWs) bands (ev): -30.8410 -30.8410 -14.2794 -14.2794 -12.5561 -12.5507 -12.2511 -12.2430 -12.0999 -12.0989 -11.3785 -11.3732 -11.2375 -11.2325 -10.7114 -10.6999 -9.9827 -9.9745 -9.9436 -9.9383 -4.6155 -4.6155 -1.4565 -1.4564 0.0978 0.0985 0.7401 0.7417 0.8258 0.8271 1.6013 1.6018 2.0050 2.0069 3.6966 3.6993 4.1637 4.1721 4.1887 4.1973 4.6582 4.6593 4.9311 4.9330 4.9752 4.9772 5.2381 5.2410 5.5174 5.5261 5.6240 5.6312 5.9115 5.9135 5.9606 5.9627 9.6060 9.6073 10.6300 10.6310 14.0355 14.0761 14.3334 14.3680 14.4007 14.4283 14.5335 14.5346 k = 0.0758 0.1312-0.0000 ( 3752 PWs) bands (ev): -30.8410 -30.8410 -14.2936 -14.2936 -12.5606 -12.5557 -12.2485 -12.2413 -12.0955 -12.0947 -11.3539 -11.3490 -11.2353 -11.2304 -10.7179 -10.7073 -9.9711 -9.9640 -9.9340 -9.9297 -4.6598 -4.6598 -1.4530 -1.4530 0.1026 0.1033 0.7281 0.7296 0.8041 0.8053 1.6151 1.6156 1.9582 1.9598 3.7557 3.7582 4.1325 4.1358 4.1908 4.1943 4.6506 4.6518 4.9336 4.9351 4.9787 4.9804 5.3028 5.3058 5.5411 5.5503 5.6444 5.6519 5.9060 5.9085 5.9462 5.9489 9.5637 9.5649 10.6132 10.6141 14.0310 14.0691 14.3608 14.3929 14.4150 14.4413 14.5395 14.5405 k = 0.0682 0.1181-0.0000 ( 3748 PWs) bands (ev): -30.8411 -30.8411 -14.3065 -14.3064 -12.5648 -12.5604 -12.2465 -12.2400 -12.0912 -12.0907 -11.3305 -11.3260 -11.2328 -11.2282 -10.7246 -10.7149 -9.9606 -9.9546 -9.9246 -9.9213 -4.7006 -4.7006 -1.4501 -1.4500 0.1079 0.1085 0.7166 0.7179 0.7849 0.7858 1.6284 1.6288 1.9140 1.9154 3.8138 3.8161 4.0972 4.0989 4.1961 4.1981 4.6362 4.6374 4.9383 4.9394 4.9817 4.9831 5.3645 5.3677 5.5647 5.5742 5.6657 5.6734 5.8992 5.9025 5.9313 5.9348 9.5227 9.5238 10.5976 10.5984 14.0274 14.0629 14.3855 14.4147 14.4284 14.4532 14.5447 14.5456 k = 0.0606 0.1050-0.0000 ( 3748 PWs) bands (ev): -30.8411 -30.8411 -14.3180 -14.3180 -12.5687 -12.5649 -12.2448 -12.2392 -12.0873 -12.0869 -11.3088 -11.3048 -11.2301 -11.2259 -10.7313 -10.7225 -9.9512 -9.9462 -9.9157 -9.9134 -4.7378 -4.7378 -1.4477 -1.4476 0.1136 0.1141 0.7058 0.7069 0.7681 0.7688 1.6408 1.6412 1.8731 1.8743 3.8705 3.8726 4.0637 4.0647 4.2018 4.2031 4.6157 4.6170 4.9447 4.9456 4.9844 4.9855 5.4224 5.4258 5.5878 5.5975 5.6875 5.6952 5.8911 5.8953 5.9158 5.9204 9.4836 9.4845 10.5833 10.5840 14.0250 14.0575 14.4071 14.4329 14.4408 14.4636 14.5491 14.5500 k = 0.0530 0.0919-0.0000 ( 3744 PWs) bands (ev): -30.8411 -30.8411 -14.3283 -14.3283 -12.5723 -12.5689 -12.2435 -12.2387 -12.0838 -12.0835 -11.2891 -11.2856 -11.2272 -11.2234 -10.7378 -10.7299 -9.9429 -9.9387 -9.9075 -9.9059 -4.7711 -4.7711 -1.4457 -1.4457 0.1193 0.1198 0.6957 0.6966 0.7536 0.7542 1.6521 1.6524 1.8359 1.8369 3.9249 3.9269 4.0340 4.0346 4.2074 4.2084 4.5902 4.5916 4.9521 4.9529 4.9868 4.9877 5.4759 5.4795 5.6105 5.6201 5.7092 5.7169 5.8814 5.8869 5.9003 5.9063 9.4470 9.4478 10.5703 10.5709 14.0236 14.0530 14.4259 14.4476 14.4522 14.4724 14.5529 14.5537 k = 0.0455 0.0787-0.0000 ( 3748 PWs) bands (ev): -30.8411 -30.8411 -14.3372 -14.3372 -12.5754 -12.5726 -12.2424 -12.2383 -12.0807 -12.0805 -11.2717 -11.2687 -11.2241 -11.2209 -10.7437 -10.7369 -9.9356 -9.9322 -9.9002 -9.8992 -4.8004 -4.8004 -1.4441 -1.4441 0.1248 0.1253 0.6865 0.6872 0.7415 0.7419 1.6619 1.6622 1.8031 1.8038 3.9709 3.9722 4.0149 4.0151 4.2127 4.2134 4.5607 4.5620 4.9597 4.9604 4.9890 4.9896 5.5245 5.5283 5.6326 5.6418 5.7301 5.7375 5.8701 5.8763 5.8859 5.8927 9.4136 9.4143 10.5589 10.5594 14.0233 14.0493 14.4417 14.4588 14.4625 14.4794 14.5560 14.5567 k = 0.0379 0.0656-0.0000 ( 3762 PWs) bands (ev): -30.8412 -30.8412 -14.3448 -14.3448 -12.5781 -12.5758 -12.2415 -12.2382 -12.0781 -12.0780 -11.2570 -11.2546 -11.2207 -11.2182 -10.7490 -10.7433 -9.9294 -9.9267 -9.8940 -9.8934 -4.8254 -4.8254 -1.4428 -1.4428 0.1300 0.1304 0.6783 0.6789 0.7315 0.7317 1.6698 1.6701 1.7752 1.7758 3.9714 3.9719 4.0426 4.0441 4.2175 4.2181 4.5280 4.5294 4.9668 4.9674 4.9911 4.9915 5.5682 5.5721 5.6537 5.6622 5.7487 5.7559 5.8575 5.8628 5.8742 5.8801 9.3840 9.3846 10.5490 10.5494 14.0239 14.0462 14.4549 14.4674 14.4711 14.4845 14.5584 14.5591 k = 0.0303 0.0525-0.0000 ( 3766 PWs) bands (ev): -30.8412 -30.8412 -14.3511 -14.3511 -12.5803 -12.5785 -12.2408 -12.2381 -12.0759 -12.0759 -11.2454 -11.2436 -11.2169 -11.2152 -10.7535 -10.7489 -9.9243 -9.9221 -9.8887 -9.8884 -4.8461 -4.8461 -1.4419 -1.4419 0.1346 0.1349 0.6715 0.6719 0.7235 0.7236 1.6753 1.6755 1.7532 1.7536 3.9540 3.9543 4.0905 4.0920 4.2216 4.2221 4.4932 4.4945 4.9727 4.9733 4.9932 4.9935 5.6072 5.6111 5.6734 5.6810 5.7629 5.7700 5.8449 5.8486 5.8646 5.8687 9.3588 9.3593 10.5409 10.5412 14.0252 14.0435 14.4657 14.4740 14.4778 14.4880 14.5604 14.5609 k = 0.0227 0.0394-0.0000 ( 3761 PWs) bands (ev): -30.8412 -30.8412 -14.3559 -14.3559 -12.5820 -12.5806 -12.2401 -12.2382 -12.0742 -12.0742 -11.2372 -11.2359 -11.2127 -11.2119 -10.7570 -10.7535 -9.9202 -9.9186 -9.8847 -9.8845 -4.8624 -4.8623 -1.4412 -1.4411 0.1384 0.1387 0.6660 0.6663 0.7174 0.7175 1.6777 1.6779 1.7377 1.7379 3.9387 3.9389 4.1377 4.1391 4.2250 4.2253 4.4574 4.4587 4.9772 4.9777 4.9954 4.9955 5.6418 5.6457 5.6914 5.6976 5.7692 5.7758 5.8347 5.8374 5.8568 5.8591 9.3386 9.3390 10.5344 10.5347 14.0271 14.0412 14.4742 14.4788 14.4829 14.4899 14.5618 14.5622 k = 0.0152 0.0262-0.0000 ( 3773 PWs) bands (ev): -30.8412 -30.8412 -14.3594 -14.3594 -12.5832 -12.5823 -12.2396 -12.2383 -12.0731 -12.0730 -11.2321 -11.2312 -11.2089 -11.2087 -10.7595 -10.7571 -9.9172 -9.9162 -9.8817 -9.8817 -4.8740 -4.8740 -1.4407 -1.4407 0.1413 0.1415 0.6620 0.6622 0.7131 0.7132 1.6771 1.6772 1.7289 1.7289 3.9273 3.9275 4.1807 4.1819 4.2276 4.2277 4.4226 4.4238 4.9801 4.9805 4.9974 4.9974 5.6719 5.6759 5.7068 5.7114 5.7649 5.7701 5.8289 5.8310 5.8517 5.8526 9.3239 9.3241 10.5298 10.5300 14.0294 14.0389 14.4802 14.4821 14.4863 14.4907 14.5628 14.5631 k = 0.0076 0.0131-0.0000 ( 3785 PWs) bands (ev): -30.8412 -30.8412 -14.3615 -14.3615 -12.5838 -12.5834 -12.2392 -12.2386 -12.0724 -12.0724 -11.2293 -11.2288 -11.2063 -11.2062 -10.7607 -10.7595 -9.9153 -9.9148 -9.8800 -9.8800 -4.8810 -4.8810 -1.4404 -1.4404 0.1431 0.1432 0.6596 0.6597 0.7106 0.7106 1.6753 1.6754 1.7250 1.7250 3.9204 3.9205 4.2146 4.2153 4.2294 4.2295 4.3938 4.3945 4.9818 4.9820 4.9988 4.9988 5.6964 5.7001 5.7197 5.7222 5.7520 5.7553 5.8260 5.8274 5.8500 5.8501 9.3149 9.3150 10.5270 10.5271 14.0318 14.0366 14.4838 14.4841 14.4885 14.4906 14.5634 14.5635 k = 0.0000 0.0000 0.0000 ( 3777 PWs) bands (ev): -30.8412 -30.8412 -14.3622 -14.3622 -12.5839 -12.5839 -12.2388 -12.2388 -12.0721 -12.0721 -11.2282 -11.2282 -11.2053 -11.2053 -10.7607 -10.7607 -9.9145 -9.9145 -9.8794 -9.8794 -4.8834 -4.8834 -1.4403 -1.4403 0.1437 0.1437 0.6589 0.6589 0.7098 0.7098 1.6744 1.6744 1.7240 1.7240 3.9181 3.9181 4.2271 4.2271 4.2320 4.2320 4.3815 4.3815 4.9824 4.9824 4.9993 4.9993 5.7088 5.7088 5.7324 5.7324 5.7389 5.7389 5.8254 5.8254 5.8498 5.8498 9.3120 9.3120 10.5262 10.5262 14.0342 14.0342 14.4849 14.4849 14.4899 14.4899 14.5637 14.5637 k = 0.0000 0.0000 0.0000 ( 3777 PWs) bands (ev): -30.8412 -30.8412 -14.3622 -14.3622 -12.5839 -12.5839 -12.2388 -12.2388 -12.0721 -12.0721 -11.2282 -11.2282 -11.2053 -11.2053 -10.7607 -10.7607 -9.9145 -9.9145 -9.8794 -9.8794 -4.8834 -4.8834 -1.4403 -1.4403 0.1437 0.1437 0.6589 0.6589 0.7098 0.7098 1.6744 1.6744 1.7240 1.7240 3.9181 3.9181 4.2271 4.2271 4.2320 4.2320 4.3815 4.3815 4.9824 4.9824 4.9993 4.9993 5.7088 5.7088 5.7324 5.7324 5.7389 5.7389 5.8254 5.8254 5.8498 5.8498 9.3120 9.3120 10.5262 10.5262 14.0342 14.0342 14.4849 14.4849 14.4899 14.4899 14.5637 14.5637 k = 0.0000 0.0000 0.0153 ( 3789 PWs) bands (ev): -30.8412 -30.8412 -14.3624 -14.3624 -12.5830 -12.5828 -12.2396 -12.2382 -12.0735 -12.0713 -11.2295 -11.2255 -11.2069 -11.2020 -10.7620 -10.7619 -9.9166 -9.9136 -9.8816 -9.8785 -4.8833 -4.8833 -1.4388 -1.4387 0.1433 0.1433 0.6587 0.6604 0.7096 0.7113 1.6731 1.6745 1.7227 1.7241 3.9189 3.9189 4.2267 4.2291 4.2316 4.2340 4.3799 4.3800 4.9804 4.9826 4.9974 4.9995 5.7052 5.7124 5.7291 5.7357 5.7364 5.7367 5.8227 5.8286 5.8473 5.8529 9.3143 9.3144 10.5276 10.5277 14.0322 14.0326 14.4751 14.4771 14.4896 14.4968 14.5643 14.5645 k = 0.0000 0.0000 0.0306 ( 3801 PWs) bands (ev): -30.8412 -30.8412 -14.3633 -14.3633 -12.5803 -12.5799 -12.2403 -12.2376 -12.0755 -12.0711 -11.2294 -11.2214 -11.2068 -11.1970 -10.7657 -10.7655 -9.9200 -9.9141 -9.8853 -9.8790 -4.8830 -4.8830 -1.4342 -1.4342 0.1422 0.1422 0.6599 0.6632 0.7108 0.7142 1.6707 1.6735 1.7202 1.7230 3.9213 3.9213 4.2279 4.2326 4.2327 4.2375 4.3751 4.3752 4.9768 4.9811 4.9937 4.9980 5.7016 5.7159 5.7259 5.7291 5.7297 5.7389 5.8207 5.8324 5.8455 5.8567 9.3214 9.3215 10.5320 10.5322 14.0266 14.0273 14.4592 14.4607 14.4887 14.4970 14.5665 14.5668 k = 0.0000 0.0000 0.0459 ( 3777 PWs) bands (ev): -30.8412 -30.8412 -14.3648 -14.3648 -12.5756 -12.5750 -12.2409 -12.2369 -12.0779 -12.0715 -11.2278 -11.2158 -11.2050 -11.1904 -10.7717 -10.7714 -9.9247 -9.9159 -9.8902 -9.8808 -4.8825 -4.8825 -1.4266 -1.4266 0.1403 0.1404 0.6623 0.6673 0.7134 0.7185 1.6672 1.6713 1.7167 1.7207 3.9253 3.9253 4.2306 4.2354 4.2377 4.2425 4.3672 4.3673 4.9716 4.9780 4.9885 4.9948 5.6981 5.7172 5.7183 5.7193 5.7230 5.7420 5.8194 5.8367 5.8445 5.8609 9.3331 9.3333 10.5394 10.5396 14.0175 14.0185 14.4370 14.4420 14.4821 14.4899 14.5702 14.5707 k = 0.0000 0.0000 0.0613 ( 3777 PWs) bands (ev): -30.8412 -30.8412 -14.3668 -14.3668 -12.5692 -12.5684 -12.2414 -12.2362 -12.0809 -12.0725 -11.2247 -11.2089 -11.2014 -11.1822 -10.7801 -10.7798 -9.9307 -9.9190 -9.8964 -9.8840 -4.8818 -4.8818 -1.4161 -1.4161 0.1378 0.1378 0.6661 0.6726 0.7173 0.7241 1.6626 1.6680 1.7120 1.7174 3.9308 3.9308 4.2349 4.2396 4.2443 4.2490 4.3562 4.3562 4.9648 4.9732 4.9816 4.9898 5.6935 5.7008 5.7035 5.7202 5.7223 5.7449 5.8191 5.8416 5.8444 5.8656 9.3492 9.3494 10.5497 10.5500 14.0052 14.0066 14.4108 14.4195 14.4696 14.4750 14.5751 14.5756 k = 0.0000 0.0000 0.0766 ( 3765 PWs) bands (ev): -30.8412 -30.8412 -14.3693 -14.3693 -12.5610 -12.5599 -12.2417 -12.2354 -12.0843 -12.0741 -11.2202 -11.2008 -11.1962 -11.1726 -10.7909 -10.7904 -9.9379 -9.9233 -9.9040 -9.8885 -4.8810 -4.8810 -1.4027 -1.4026 0.1345 0.1345 0.6712 0.6792 0.7226 0.7309 1.6570 1.6637 1.7064 1.7129 3.9378 3.9379 4.2406 4.2452 4.2522 4.2568 4.3421 4.3421 4.9567 4.9668 4.9733 4.9832 5.6791 5.6802 5.6946 5.7178 5.7249 5.7474 5.8198 5.8452 5.8468 5.8707 9.3695 9.3697 10.5628 10.5631 13.9901 13.9918 14.3814 14.3937 14.4514 14.4530 14.5809 14.5815 k = 0.0000 0.0000 0.0919 ( 3765 PWs) bands (ev): -30.8412 -30.8412 -14.3723 -14.3723 -12.5513 -12.5499 -12.2417 -12.2345 -12.0881 -12.0762 -11.2144 -11.1914 -11.1893 -11.1615 -10.8039 -10.8033 -9.9462 -9.9289 -9.9128 -9.8944 -4.8799 -4.8799 -1.3865 -1.3865 0.1306 0.1306 0.6774 0.6869 0.7291 0.7390 1.6506 1.6583 1.6997 1.7074 3.9463 3.9464 4.2476 4.2521 4.2614 4.2659 4.3250 4.3251 4.9472 4.9588 4.9636 4.9750 5.6553 5.6557 5.6914 5.7156 5.7270 5.7495 5.8215 5.8470 5.8525 5.8762 9.3935 9.3937 10.5786 10.5790 13.9724 13.9745 14.3490 14.3649 14.4247 14.4280 14.5873 14.5879 k = 0.0000 0.0000 0.1072 ( 3747 PWs) bands (ev): -30.8412 -30.8412 -14.3757 -14.3757 -12.5401 -12.5384 -12.2412 -12.2332 -12.0922 -12.0789 -11.2071 -11.1809 -11.1809 -11.1490 -10.8191 -10.8184 -9.9557 -9.9357 -9.9228 -9.9015 -4.8787 -4.8787 -1.3677 -1.3676 0.1260 0.1260 0.6849 0.6957 0.7369 0.7481 1.6432 1.6521 1.6923 1.7010 3.9562 3.9563 4.2559 4.2603 4.2717 4.2761 4.3052 4.3052 4.9364 4.9494 4.9527 4.9654 5.6275 5.6276 5.6890 5.7137 5.7285 5.7512 5.8244 5.8497 5.8585 5.8820 9.4209 9.4211 10.5970 10.5974 13.9526 13.9550 14.3142 14.3335 14.3914 14.4001 14.5940 14.5945 k = 0.0000 0.0000 0.1225 ( 3753 PWs) bands (ev): -30.8412 -30.8412 -14.3795 -14.3795 -12.5278 -12.5257 -12.2401 -12.2315 -12.0967 -12.0820 -11.1987 -11.1709 -11.1693 -11.1353 -10.8366 -10.8356 -9.9663 -9.9437 -9.9340 -9.9099 -4.8774 -4.8774 -1.3463 -1.3463 0.1209 0.1209 0.6934 0.7055 0.7458 0.7584 1.6352 1.6449 1.6841 1.6937 3.9674 3.9674 4.2652 4.2693 4.2825 4.2828 4.2830 4.2874 4.9246 4.9386 4.9406 4.9543 5.5963 5.5964 5.6871 5.7121 5.7295 5.7523 5.8284 5.8534 5.8649 5.8881 9.4512 9.4515 10.6178 10.6183 13.9309 13.9336 14.2774 14.3000 14.3541 14.3683 14.6007 14.6012 k = 0.0000 0.0000 0.1378 ( 3765 PWs) bands (ev): -30.8412 -30.8412 -14.3837 -14.3837 -12.5146 -12.5120 -12.2381 -12.2292 -12.1013 -12.0856 -11.1890 -11.1595 -11.1568 -11.1204 -10.8561 -10.8549 -9.9780 -9.9529 -9.9463 -9.9196 -4.8759 -4.8759 -1.3226 -1.3226 0.1153 0.1153 0.7030 0.7163 0.7558 0.7695 1.6264 1.6370 1.6752 1.6856 3.9796 3.9796 4.2577 4.2578 4.2755 4.2797 4.2951 4.2992 4.9118 4.9266 4.9275 4.9419 5.5624 5.5625 5.6855 5.7108 5.7299 5.7530 5.8333 5.8581 5.8715 5.8944 9.4841 9.4845 10.6408 10.6414 13.9076 13.9107 14.2391 14.2646 14.3139 14.3333 14.6071 14.6075 k = 0.0000 0.0000 0.1532 ( 3765 PWs) bands (ev): -30.8411 -30.8411 -14.3882 -14.3882 -12.5007 -12.4976 -12.2349 -12.2258 -12.1061 -12.0895 -11.1781 -11.1468 -11.1435 -11.1044 -10.8776 -10.8760 -9.9906 -9.9632 -9.9597 -9.9303 -4.8742 -4.8742 -1.2968 -1.2968 0.1091 0.1092 0.7136 0.7278 0.7668 0.7816 1.6172 1.6285 1.6658 1.6769 3.9925 3.9926 4.2311 4.2312 4.2866 4.2905 4.3080 4.3118 4.8982 4.9135 4.9136 4.9284 5.5262 5.5262 5.6843 5.7098 5.7299 5.7532 5.8392 5.8635 5.8784 5.9010 9.5191 9.5195 10.6659 10.6665 13.8831 13.8866 14.1997 14.2280 14.2718 14.2959 14.6131 14.6134 k = 0.0000 0.0000 0.1685 ( 3765 PWs) bands (ev): -30.8411 -30.8411 -14.3930 -14.3930 -12.4865 -12.4827 -12.2302 -12.2213 -12.1109 -12.0937 -11.1663 -11.1327 -11.1296 -11.0875 -10.9009 -10.8988 -10.0041 -9.9745 -9.9740 -9.9423 -4.8725 -4.8725 -1.2690 -1.2690 0.1026 0.1027 0.7250 0.7401 0.7786 0.7944 1.6075 1.6194 1.6560 1.6676 4.0055 4.0057 4.2033 4.2035 4.2982 4.3020 4.3213 4.3249 4.8840 4.8990 4.8995 4.9139 5.4881 5.4881 5.6833 5.7091 5.7294 5.7531 5.8458 5.8697 5.8854 5.9078 9.5558 9.5561 10.6928 10.6935 13.8576 13.8615 14.1598 14.1903 14.2285 14.2568 14.6185 14.6188 k = 0.0000 0.0000 0.1838 ( 3765 PWs) bands (ev): -30.8411 -30.8411 -14.3979 -14.3979 -12.4725 -12.4680 -12.2236 -12.2150 -12.1158 -12.0982 -11.1535 -11.1175 -11.1154 -11.0698 -10.9260 -10.9231 -10.0185 -9.9893 -9.9868 -9.9552 -4.8707 -4.8707 -1.2396 -1.2395 0.0958 0.0958 0.7371 0.7531 0.7913 0.8078 1.5975 1.6098 1.6458 1.6579 4.0172 4.0174 4.1761 4.1764 4.3103 4.3139 4.3349 4.3383 4.8694 4.8840 4.8848 4.8987 5.4484 5.4484 5.6827 5.7086 5.7287 5.7527 5.8530 5.8764 5.8926 5.9147 9.5936 9.5940 10.7214 10.7221 13.8314 13.8357 14.1196 14.1521 14.1845 14.2164 14.6232 14.6235 k = 0.0000 0.0000 0.1991 ( 3777 PWs) bands (ev): -30.8411 -30.8411 -14.4030 -14.4030 -12.4592 -12.4537 -12.2147 -12.2068 -12.1207 -12.1029 -11.1401 -11.1013 -11.1012 -11.0513 -10.9525 -10.9483 -10.0336 -10.0053 -10.0000 -9.9692 -4.8688 -4.8688 -1.2086 -1.2086 0.0887 0.0887 0.7499 0.7665 0.8046 0.8217 1.5873 1.6000 1.6354 1.6478 4.0244 4.0248 4.1526 4.1532 4.3227 4.3260 4.3487 4.3518 4.8545 4.8686 4.8694 4.8828 5.4075 5.4075 5.6822 5.7084 5.7277 5.7520 5.8607 5.8837 5.8999 5.9217 9.6322 9.6326 10.7513 10.7520 13.8046 13.8093 14.0796 14.1137 14.1405 14.1754 14.6272 14.6275 k = 0.0000 0.0000 0.2144 ( 3759 PWs) bands (ev): -30.8411 -30.8411 -14.4081 -14.4081 -12.4468 -12.4404 -12.2031 -12.1960 -12.1255 -12.1076 -11.1265 -11.0885 -11.0840 -11.0321 -10.9801 -10.9734 -10.0493 -10.0221 -10.0140 -9.9841 -4.8669 -4.8668 -1.1765 -1.1764 0.0814 0.0814 0.7633 0.7802 0.8184 0.8360 1.5770 1.5898 1.6250 1.6375 4.0213 4.0220 4.1391 4.1399 4.3351 4.3381 4.3624 4.3651 4.8395 4.8530 4.8538 4.8665 5.3657 5.3658 5.6820 5.7084 5.7266 5.7512 5.8688 5.8913 5.9073 5.9287 9.6711 9.6715 10.7822 10.7830 13.7776 13.7827 14.0401 14.0755 14.0969 14.1343 14.6304 14.6307 k = 0.0000 0.0000 0.2297 ( 3759 PWs) bands (ev): -30.8411 -30.8411 -14.4133 -14.4132 -12.4358 -12.4285 -12.1886 -12.1824 -12.1302 -12.1125 -11.1135 -11.0799 -11.0659 -11.0125 -11.0079 -10.9954 -10.0655 -10.0396 -10.0288 -9.9998 -4.8649 -4.8649 -1.1435 -1.1434 0.0740 0.0740 0.7770 0.7942 0.8327 0.8506 1.5667 1.5796 1.6145 1.6271 4.0040 4.0047 4.1401 4.1409 4.3474 4.3501 4.3759 4.3782 4.8247 4.8376 4.8380 4.8500 5.3233 5.3234 5.6821 5.7086 5.7253 5.7502 5.8771 5.8993 5.9146 5.9358 9.7100 9.7104 10.8139 10.8147 13.7504 13.7560 14.0015 14.0377 14.0540 14.0934 14.6328 14.6331 k = 0.0000 0.0000 0.2451 ( 3759 PWs) bands (ev): -30.8411 -30.8411 -14.4184 -14.4184 -12.4264 -12.4183 -12.1709 -12.1657 -12.1348 -12.1173 -11.1040 -11.0825 -11.0470 -11.0329 -11.0074 -10.9925 -10.0821 -10.0575 -10.0442 -10.0163 -4.8629 -4.8629 -1.1098 -1.1098 0.0665 0.0666 0.7910 0.8083 0.8472 0.8652 1.5566 1.5694 1.6042 1.6167 3.9756 3.9763 4.1525 4.1532 4.3595 4.3618 4.3889 4.3908 4.8101 4.8222 4.8223 4.8335 5.2806 5.2807 5.6823 5.7090 5.7239 5.7491 5.8857 5.9074 5.9218 5.9427 9.7484 9.7488 10.8461 10.8469 13.7234 13.7293 13.9641 14.0006 14.0123 14.0531 14.6345 14.6348 k = 0.0000 0.0000 0.2604 ( 3741 PWs) bands (ev): -30.8410 -30.8410 -14.4234 -14.4234 -12.4186 -12.4099 -12.1501 -12.1459 -12.1391 -12.1221 -11.1072 -11.1010 -11.0461 -11.0275 -11.0046 -10.9723 -10.0990 -10.0758 -10.0602 -10.0334 -4.8609 -4.8609 -1.0759 -1.0758 0.0591 0.0592 0.8052 0.8224 0.8619 0.8797 1.5466 1.5592 1.5941 1.6064 3.9415 3.9421 4.1712 4.1720 4.3710 4.3730 4.4012 4.4027 4.7961 4.8068 4.8076 4.8172 5.2377 5.2378 5.6827 5.7096 5.7224 5.7479 5.8943 5.9157 5.9290 5.9496 9.7861 9.7865 10.8784 10.8792 13.6967 13.7029 13.9280 13.9647 13.9720 14.0137 14.6357 14.6359 k = 0.0000 0.0000 0.2757 ( 3735 PWs) bands (ev): -30.8410 -30.8410 -14.4283 -14.4283 -12.4124 -12.4033 -12.1432 -12.1269 -12.1263 -12.1230 -11.1293 -11.1292 -11.0411 -11.0076 -10.9933 -10.9520 -10.1160 -10.0943 -10.0766 -10.0511 -4.8589 -4.8589 -1.0421 -1.0420 0.0518 0.0519 0.8193 0.8362 0.8765 0.8941 1.5370 1.5493 1.5843 1.5963 3.9048 3.9053 4.1937 4.1943 4.3820 4.3836 4.4128 4.4137 4.7827 4.7919 4.7934 4.8014 5.1948 5.1949 5.6833 5.7103 5.7209 5.7466 5.9029 5.9239 5.9359 5.9562 9.8227 9.8231 10.9106 10.9114 13.6705 13.6771 13.8937 13.9301 13.9335 13.9757 14.6361 14.6363 k = 0.0000 0.0000 0.2910 ( 3735 PWs) bands (ev): -30.8410 -30.8410 -14.4330 -14.4330 -12.4076 -12.3983 -12.1471 -12.1315 -12.0999 -12.0973 -11.1619 -11.1607 -11.0279 -10.9873 -10.9789 -10.9319 -10.1329 -10.1129 -10.0933 -10.0691 -4.8570 -4.8570 -1.0087 -1.0086 0.0447 0.0448 0.8332 0.8497 0.8909 0.9081 1.5277 1.5396 1.5749 1.5864 3.8671 3.8675 4.2184 4.2191 4.3922 4.3933 4.4233 4.4237 4.7703 4.7778 4.7801 4.7863 5.1520 5.1521 5.6840 5.7112 5.7193 5.7453 5.9115 5.9321 5.9425 5.9627 9.8578 9.8582 10.9422 10.9430 13.6451 13.6518 13.8612 13.8970 13.8971 13.9392 14.6359 14.6361 k = 0.0000 0.0000 0.3063 ( 3735 PWs) bands (ev): -30.8410 -30.8410 -14.4376 -14.4376 -12.4039 -12.3947 -12.1507 -12.1360 -12.0711 -12.0691 -11.1970 -11.1955 -11.0120 -10.9669 -10.9635 -10.9121 -10.1496 -10.1313 -10.1102 -10.0875 -4.8552 -4.8552 -0.9761 -0.9760 0.0379 0.0379 0.8468 0.8627 0.9050 0.9215 1.5190 1.5303 1.5660 1.5770 3.8294 3.8298 4.2449 4.2455 4.4015 4.4022 4.4324 4.4326 4.7588 4.7646 4.7677 4.7722 5.1095 5.1097 5.6848 5.7122 5.7177 5.7439 5.9199 5.9402 5.9489 5.9687 9.8912 9.8916 10.9729 10.9737 13.6206 13.6275 13.8307 13.8627 13.8660 13.9045 14.6353 14.6355 k = 0.0000 0.0000 0.3216 ( 3723 PWs) bands (ev): -30.8410 -30.8410 -14.4418 -14.4418 -12.4011 -12.3921 -12.1539 -12.1402 -12.0401 -12.0387 -11.2336 -11.2321 -10.9952 -10.9479 -10.9464 -10.8928 -10.1659 -10.1493 -10.1271 -10.1059 -4.8534 -4.8534 -0.9446 -0.9446 0.0313 0.0314 0.8600 0.8750 0.9187 0.9343 1.5108 1.5214 1.5577 1.5681 3.7926 3.7929 4.2727 4.2734 4.4100 4.4101 4.4398 4.4407 4.7485 4.7527 4.7565 4.7592 5.0675 5.0676 5.6858 5.7132 5.7161 5.7425 5.9280 5.9480 5.9548 5.9745 9.9227 9.9231 11.0024 11.0032 13.5974 13.6043 13.8025 13.8307 13.8370 13.8719 14.6344 14.6345 k = 0.0000 0.0000 0.3370 ( 3717 PWs) bands (ev): -30.8410 -30.8410 -14.4458 -14.4458 -12.3991 -12.3905 -12.1569 -12.1443 -12.0074 -12.0064 -11.2712 -11.2699 -10.9782 -10.9328 -10.9261 -10.8743 -10.1814 -10.1668 -10.1438 -10.1243 -4.8518 -4.8518 -0.9147 -0.9146 0.0252 0.0253 0.8725 0.8866 0.9316 0.9463 1.5032 1.5131 1.5500 1.5596 3.7572 3.7575 4.3016 4.3022 4.4170 4.4175 4.4457 4.4473 4.7394 4.7421 4.7464 4.7476 5.0259 5.0261 5.6869 5.7144 5.7144 5.7410 5.9357 5.9555 5.9603 5.9797 9.9519 9.9523 11.0303 11.0311 13.5755 13.5823 13.7767 13.8013 13.8102 13.8416 14.6332 14.6333 k = 0.0000 0.0000 0.3523 ( 3717 PWs) bands (ev): -30.8410 -30.8410 -14.4494 -14.4494 -12.3976 -12.3896 -12.1595 -12.1480 -11.9733 -11.9725 -11.3097 -11.3085 -10.9614 -10.9185 -10.9062 -10.8569 -10.1960 -10.1833 -10.1601 -10.1424 -4.8502 -4.8502 -0.8867 -0.8866 0.0195 0.0196 0.8843 0.8972 0.9438 0.9573 1.4963 1.5054 1.5431 1.5518 3.7239 3.7242 4.3313 4.3319 4.4230 4.4240 4.4502 4.4525 4.7316 4.7330 4.7374 4.7376 4.9851 4.9853 5.6880 5.7128 5.7156 5.7395 5.9431 5.9626 5.9652 5.9845 9.9787 9.9790 11.0564 11.0571 13.5553 13.5618 13.7533 13.7746 13.7859 13.8138 14.6317 14.6319 k = 0.0000 0.0000 0.3676 ( 3717 PWs) bands (ev): -30.8410 -30.8410 -14.4527 -14.4527 -12.3964 -12.3892 -12.1617 -12.1515 -11.9379 -11.9375 -11.3488 -11.3476 -10.9451 -10.9053 -10.8870 -10.8409 -10.2095 -10.1986 -10.1758 -10.1600 -4.8489 -4.8488 -0.8610 -0.8609 0.0144 0.0145 0.8951 0.9068 0.9551 0.9673 1.4902 1.4984 1.5369 1.5447 3.6932 3.6934 4.3615 4.3622 4.4281 4.4296 4.4533 4.4562 4.7249 4.7253 4.7287 4.7300 4.9451 4.9454 5.6893 5.7111 5.7170 5.7380 5.9500 5.9693 5.9696 5.9887 10.0028 10.0031 11.0803 11.0809 13.5370 13.5431 13.7325 13.7506 13.7642 13.7886 14.6303 14.6304 k = 0.0000 0.0000 0.3829 ( 3717 PWs) bands (ev): -30.8410 -30.8410 -14.4556 -14.4556 -12.3956 -12.3892 -12.1635 -12.1547 -11.9017 -11.9015 -11.3881 -11.3870 -10.9296 -10.8936 -10.8687 -10.8267 -10.2214 -10.2124 -10.1908 -10.1769 -4.8476 -4.8476 -0.8379 -0.8378 0.0098 0.0099 0.9050 0.9152 0.9653 0.9760 1.4849 1.4920 1.5315 1.5384 3.6655 3.6657 4.3918 4.3926 4.4325 4.4344 4.4551 4.4586 4.7191 4.7195 4.7217 4.7236 4.9063 4.9065 5.6906 5.7094 5.7183 5.7365 5.9563 5.9733 5.9754 5.9922 10.0241 10.0244 11.1016 11.1022 13.5208 13.5263 13.7144 13.7295 13.7454 13.7662 14.6288 14.6289 k = 0.0000 0.0000 0.3982 ( 3693 PWs) bands (ev): -30.8409 -30.8409 -14.4580 -14.4580 -12.3948 -12.3894 -12.1650 -12.1575 -11.8650 -11.8649 -11.4273 -11.4264 -10.9152 -10.8837 -10.8515 -10.8145 -10.2315 -10.2242 -10.2046 -10.1926 -4.8465 -4.8465 -0.8177 -0.8176 0.0059 0.0060 0.9137 0.9224 0.9743 0.9835 1.4804 1.4865 1.5269 1.5328 3.6412 3.6414 4.4210 4.4228 4.4372 4.4385 4.4558 4.4596 4.7144 4.7151 4.7161 4.7183 4.8690 4.8692 5.6920 5.7078 5.7197 5.7350 5.9620 5.9763 5.9810 5.9951 10.0424 10.0426 11.1202 11.1207 13.5068 13.5116 13.6991 13.7115 13.7295 13.7468 14.6274 14.6275 k = 0.0000 0.0000 0.4135 ( 3693 PWs) bands (ev): -30.8409 -30.8409 -14.4601 -14.4601 -12.3942 -12.3898 -12.1660 -12.1600 -11.8284 -11.8283 -11.4661 -11.4652 -10.9021 -10.8759 -10.8359 -10.8049 -10.2396 -10.2337 -10.2170 -10.2070 -4.8456 -4.8456 -0.8007 -0.8007 0.0026 0.0026 0.9212 0.9283 0.9821 0.9895 1.4769 1.4818 1.5233 1.5281 3.6209 3.6210 4.4369 4.4421 4.4500 4.4540 4.4577 4.4597 4.7108 4.7118 4.7119 4.7142 4.8338 4.8341 5.6934 5.7061 5.7212 5.7335 5.9671 5.9785 5.9859 5.9973 10.0575 10.0577 11.1358 11.1362 13.4953 13.4993 13.6867 13.6964 13.7166 13.7304 14.6262 14.6263 k = 0.0000 0.0000 0.4289 ( 3693 PWs) bands (ev): -30.8409 -30.8409 -14.4617 -14.4617 -12.3937 -12.3903 -12.1667 -12.1621 -11.7926 -11.7925 -11.5034 -11.5027 -10.8907 -10.8704 -10.8223 -10.7980 -10.2455 -10.2405 -10.2279 -10.2196 -4.8449 -4.8449 -0.7873 -0.7872 -0.0000 0.0000 0.9273 0.9327 0.9884 0.9940 1.4742 1.4779 1.5206 1.5242 3.6047 3.6048 4.4406 4.4453 4.4534 4.4588 4.4807 4.4809 4.7084 4.7090 4.7093 4.7109 4.8018 4.8021 5.6949 5.7044 5.7227 5.7319 5.9713 5.9800 5.9901 5.9986 10.0695 10.0696 11.1481 11.1484 13.4863 13.4893 13.6772 13.6843 13.7069 13.7172 14.6252 14.6252 k = 0.0000 0.0000 0.4442 ( 3693 PWs) bands (ev): -30.8409 -30.8409 -14.4629 -14.4629 -12.3932 -12.3909 -12.1669 -12.1639 -11.7596 -11.7593 -11.5377 -11.5370 -10.8813 -10.8673 -10.8109 -10.7942 -10.2488 -10.2445 -10.2368 -10.2300 -4.8444 -4.8444 -0.7775 -0.7774 -0.0019 -0.0019 0.9319 0.9356 0.9933 0.9971 1.4725 1.4750 1.5188 1.5212 3.5929 3.5930 4.4433 4.4481 4.4520 4.4574 4.5042 4.5044 4.7069 4.7071 4.7076 4.7086 4.7749 4.7751 5.6964 5.7028 5.7242 5.7304 5.9748 5.9806 5.9935 5.9992 10.0781 10.0781 11.1571 11.1573 13.4799 13.4820 13.6707 13.6754 13.7003 13.7072 14.6244 14.6244 k = 0.0000 0.0000 0.4595 ( 3698 PWs) bands (ev): -30.8409 -30.8409 -14.4636 -14.4636 -12.3926 -12.3915 -12.1668 -12.1653 -11.7332 -11.7330 -11.5646 -11.5642 -10.8740 -10.8670 -10.8021 -10.7936 -10.2496 -10.2454 -10.2435 -10.2380 -4.8441 -4.8441 -0.7715 -0.7715 -0.0030 -0.0030 0.9352 0.9370 0.9966 0.9985 1.4717 1.4729 1.5180 1.5192 3.5858 3.5858 4.4457 4.4501 4.4508 4.4554 4.5211 4.5212 4.7062 4.7063 4.7065 4.7070 4.7560 4.7562 5.6980 5.7012 5.7257 5.7288 5.9775 5.9805 5.9961 5.9990 10.0832 10.0833 11.1625 11.1626 13.4763 13.4774 13.6672 13.6695 13.6971 13.7005 14.6239 14.6240 k = 0.0000 0.0000 0.4748 ( 3716 PWs) bands (ev): -30.8409 -30.8409 -14.4638 -14.4638 -12.3921 -12.3921 -12.1662 -12.1662 -11.7223 -11.7223 -11.5756 -11.5756 -10.8692 -10.8692 -10.7963 -10.7963 -10.2478 -10.2478 -10.2432 -10.2432 -4.8440 -4.8440 -0.7696 -0.7696 -0.0034 -0.0034 0.9368 0.9368 0.9983 0.9983 1.4718 1.4718 1.5181 1.5181 3.5834 3.5834 4.4479 4.4479 4.4532 4.4532 4.5274 4.5274 4.7061 4.7061 4.7062 4.7062 4.7491 4.7491 5.6995 5.6995 5.7273 5.7273 5.9794 5.9794 5.9980 5.9980 10.0850 10.0850 11.1644 11.1644 13.4754 13.4754 13.6668 13.6668 13.6971 13.6971 14.6237 14.6237 k = 0.0000 0.0000 0.4748 ( 3716 PWs) bands (ev): -30.8409 -30.8409 -14.4638 -14.4638 -12.3921 -12.3921 -12.1662 -12.1662 -11.7223 -11.7223 -11.5756 -11.5756 -10.8692 -10.8692 -10.7963 -10.7963 -10.2478 -10.2478 -10.2432 -10.2432 -4.8440 -4.8440 -0.7696 -0.7696 -0.0034 -0.0034 0.9368 0.9368 0.9983 0.9983 1.4718 1.4718 1.5181 1.5181 3.5834 3.5834 4.4479 4.4479 4.4532 4.4532 4.5274 4.5274 4.7061 4.7061 4.7062 4.7062 4.7491 4.7491 5.6995 5.6995 5.7273 5.7273 5.9794 5.9794 5.9980 5.9980 10.0850 10.0850 11.1644 11.1644 13.4754 13.4754 13.6668 13.6668 13.6971 13.6971 14.6237 14.6237 k = 0.0132 0.0076 0.4748 ( 3716 PWs) bands (ev): -30.8409 -30.8409 -14.4630 -14.4629 -12.3927 -12.3921 -12.1667 -12.1667 -11.7235 -11.7222 -11.5744 -11.5742 -10.8716 -10.8705 -10.7983 -10.7983 -10.2471 -10.2467 -10.2423 -10.2423 -4.8416 -4.8416 -0.7708 -0.7708 -0.0042 -0.0040 0.9366 0.9370 0.9983 0.9983 1.4734 1.4738 1.5199 1.5200 3.5842 3.5844 4.4473 4.4474 4.4526 4.4526 4.5290 4.5290 4.6780 4.6782 4.7064 4.7065 4.7773 4.7775 5.6967 5.6968 5.7244 5.7244 5.9796 5.9796 5.9980 5.9980 10.0854 10.0856 11.1644 11.1645 13.4762 13.4789 13.6669 13.6689 13.6974 13.6975 14.6234 14.6235 k = 0.0263 0.0152 0.4748 ( 3714 PWs) bands (ev): -30.8409 -30.8409 -14.4603 -14.4603 -12.3939 -12.3927 -12.1680 -12.1680 -11.7259 -11.7232 -11.5706 -11.5703 -10.8778 -10.8756 -10.8042 -10.8042 -10.2450 -10.2444 -10.2393 -10.2391 -4.8342 -4.8342 -0.7746 -0.7746 -0.0065 -0.0061 0.9361 0.9369 0.9984 0.9984 1.4780 1.4786 1.5259 1.5260 3.5867 3.5871 4.4451 4.4453 4.4508 4.4509 4.5337 4.5337 4.6366 4.6369 4.7072 4.7074 4.8195 4.8197 5.6878 5.6880 5.7163 5.7163 5.9798 5.9800 5.9980 5.9981 10.0870 10.0872 11.1646 11.1647 13.4811 13.4865 13.6691 13.6732 13.6984 13.6985 14.6229 14.6231 k = 0.0395 0.0228 0.4748 ( 3716 PWs) bands (ev): -30.8409 -30.8409 -14.4559 -14.4559 -12.3957 -12.3940 -12.1701 -12.1701 -11.7295 -11.7254 -11.5644 -11.5639 -10.8879 -10.8845 -10.8137 -10.8134 -10.2424 -10.2418 -10.2336 -10.2330 -4.8221 -4.8220 -0.7809 -0.7808 -0.0101 -0.0095 0.9350 0.9363 0.9989 0.9990 1.4842 1.4849 1.5374 1.5378 3.5908 3.5915 4.4394 4.4396 4.4484 4.4487 4.5411 4.5412 4.5965 4.5968 4.7086 4.7090 4.8628 4.8630 5.6718 5.6721 5.7048 5.7048 5.9796 5.9799 5.9983 5.9983 10.0895 10.0899 11.1648 11.1650 13.4896 13.4978 13.6737 13.6797 13.7004 13.7008 14.6221 14.6224 k = 0.0526 0.0304 0.4748 ( 3720 PWs) bands (ev): -30.8409 -30.8409 -14.4498 -14.4497 -12.3980 -12.3958 -12.1731 -12.1730 -11.7342 -11.7288 -11.5558 -11.5552 -10.9020 -10.8974 -10.8260 -10.8255 -10.2395 -10.2389 -10.2254 -10.2245 -4.8051 -4.8051 -0.7896 -0.7896 -0.0148 -0.0140 0.9328 0.9344 1.0006 1.0009 1.4904 1.4910 1.5556 1.5563 3.5965 3.5973 4.4265 4.4266 4.4459 4.4464 4.5502 4.5504 4.5629 4.5635 4.7108 4.7113 4.9059 4.9061 5.6483 5.6486 5.6911 5.6912 5.9785 5.9787 5.9987 5.9988 10.0930 10.0935 11.1652 11.1653 13.5010 13.5122 13.6804 13.6875 13.7041 13.7059 14.6208 14.6213 k = 0.0658 0.0380 0.4748 ( 3720 PWs) bands (ev): -30.8409 -30.8409 -14.4419 -14.4417 -12.4009 -12.3981 -12.1768 -12.1767 -11.7401 -11.7332 -11.5450 -11.5443 -10.9200 -10.9141 -10.8406 -10.8397 -10.2362 -10.2356 -10.2151 -10.2140 -4.7835 -4.7835 -0.8008 -0.8008 -0.0203 -0.0194 0.9289 0.9309 1.0040 1.0044 1.4962 1.4966 1.5808 1.5818 3.6035 3.6046 4.4022 4.4024 4.4434 4.4440 4.5366 4.5370 4.5648 4.5648 4.7139 4.7145 4.9485 4.9488 5.6178 5.6182 5.6756 5.6756 5.9760 5.9763 5.9992 5.9993 10.0974 10.0980 11.1655 11.1658 13.5143 13.5286 13.6881 13.6940 13.7115 13.7170 14.6193 14.6199 k = 0.0789 0.0456 0.4748 ( 3720 PWs) bands (ev): -30.8409 -30.8409 -14.4322 -14.4321 -12.4044 -12.4009 -12.1811 -12.1810 -11.7471 -11.7388 -11.5322 -11.5313 -10.9419 -10.9349 -10.8567 -10.8555 -10.2327 -10.2320 -10.2033 -10.2020 -4.7574 -4.7573 -0.8144 -0.8144 -0.0265 -0.0254 0.9232 0.9254 1.0097 1.0102 1.5016 1.5020 1.6123 1.6136 3.6116 3.6129 4.3662 4.3663 4.4407 4.4413 4.5234 4.5238 4.5791 4.5791 4.7181 4.7188 4.9907 4.9909 5.5812 5.5816 5.6583 5.6583 5.9722 5.9726 5.9993 5.9994 10.1024 10.1031 11.1659 11.1662 13.5286 13.5458 13.6947 13.6986 13.7260 13.7357 14.6174 14.6182 k = 0.0921 0.0532 0.4748 ( 3724 PWs) bands (ev): -30.8409 -30.8409 -14.4208 -14.4206 -12.4083 -12.4043 -12.1861 -12.1859 -11.7554 -11.7455 -11.5175 -11.5164 -10.9675 -10.9592 -10.8738 -10.8724 -10.2290 -10.2284 -10.1903 -10.1888 -4.7270 -4.7269 -0.8304 -0.8304 -0.0329 -0.0317 0.9157 0.9179 1.0176 1.0182 1.5072 1.5074 1.6495 1.6509 3.6205 3.6220 4.3217 4.3218 4.4376 4.4383 4.5177 4.5182 4.5953 4.5954 4.7237 4.7245 5.0323 5.0326 5.5393 5.5397 5.6391 5.6392 5.9671 5.9675 5.9988 5.9988 10.1080 10.1088 11.1662 11.1665 13.5430 13.5625 13.7000 13.7028 13.7488 13.7612 14.6152 14.6160 k = 0.1053 0.0608 0.4748 ( 3724 PWs) bands (ev): -30.8408 -30.8408 -14.4077 -14.4075 -12.4127 -12.4081 -12.1917 -12.1913 -11.7648 -11.7534 -11.5010 -11.4997 -10.9961 -10.9868 -10.8918 -10.8901 -10.2254 -10.2247 -10.1763 -10.1748 -4.6924 -4.6923 -0.8487 -0.8487 -0.0393 -0.0380 0.9065 0.9088 1.0278 1.0284 1.5130 1.5131 1.6915 1.6931 3.6297 3.6315 4.2724 4.2725 4.4339 4.4347 4.5164 4.5168 4.6127 4.6129 4.7310 4.7319 5.0734 5.0736 5.4927 5.4932 5.6185 5.6186 5.9609 5.9613 5.9972 5.9973 10.1139 10.1149 11.1663 11.1666 13.5568 13.5780 13.7049 13.7074 13.7793 13.7931 14.6126 14.6136 k = 0.1184 0.0684 0.4748 ( 3724 PWs) bands (ev): -30.8408 -30.8408 -14.3929 -14.3926 -12.4175 -12.4122 -12.1977 -12.1973 -11.7756 -11.7626 -11.4829 -11.4815 -11.0272 -11.0170 -10.9104 -10.9086 -10.2220 -10.2213 -10.1617 -10.1601 -4.6539 -4.6538 -0.8693 -0.8693 -0.0453 -0.0440 0.8962 0.8984 1.0401 1.0406 1.5192 1.5193 1.7377 1.7395 3.6387 3.6408 4.2206 4.2206 4.4297 4.4306 4.5174 4.5179 4.6309 4.6311 4.7405 4.7415 5.1138 5.1140 5.4420 5.4424 5.5967 5.5967 5.9534 5.9539 5.9947 5.9947 10.1202 10.1212 11.1662 11.1666 13.5698 13.5922 13.7103 13.7127 13.8167 13.8308 14.6096 14.6107 k = 0.1316 0.0760 0.4748 ( 3722 PWs) bands (ev): -30.8408 -30.8408 -14.3763 -14.3761 -12.4226 -12.4168 -12.2042 -12.2037 -11.7877 -11.7731 -11.4635 -11.4618 -11.0604 -11.0493 -10.9294 -10.9275 -10.2190 -10.2183 -10.1467 -10.1450 -4.6117 -4.6115 -0.8921 -0.8920 -0.0509 -0.0495 0.8849 0.8870 1.0543 1.0548 1.5260 1.5260 1.7875 1.7895 3.6466 3.6492 4.1679 4.1680 4.4248 4.4257 4.5199 4.5204 4.6493 4.6494 4.7528 4.7537 5.1536 5.1538 5.3875 5.3880 5.5740 5.5741 5.9449 5.9454 5.9909 5.9910 10.1265 10.1276 11.1658 11.1662 13.5821 13.6052 13.7165 13.7190 13.8599 13.8738 14.6062 14.6075 k = 0.1447 0.0836 0.4748 ( 3722 PWs) bands (ev): -30.8408 -30.8408 -14.3581 -14.3578 -12.4282 -12.4217 -12.2112 -12.2105 -11.8013 -11.7850 -11.4428 -11.4410 -11.0949 -11.0830 -10.9488 -10.9468 -10.2166 -10.2158 -10.1314 -10.1297 -4.5660 -4.5658 -0.9170 -0.9169 -0.0556 -0.0542 0.8731 0.8750 1.0703 1.0708 1.5334 1.5334 1.8404 1.8425 3.6525 3.6554 4.1158 4.1161 4.4192 4.4200 4.5231 4.5236 4.6670 4.6671 4.7682 4.7692 5.1926 5.1927 5.3297 5.3302 5.5509 5.5511 5.9353 5.9358 5.9861 5.9862 10.1327 10.1339 11.1650 11.1655 13.5938 13.6174 13.7237 13.7266 13.9079 13.9210 14.6024 14.6039 k = 0.1579 0.0912 0.4748 ( 3726 PWs) bands (ev): -30.8407 -30.8407 -14.3382 -14.3379 -12.4341 -12.4269 -12.2186 -12.2179 -11.8165 -11.7985 -11.4211 -11.4190 -11.1302 -11.1175 -10.9684 -10.9663 -10.2148 -10.2141 -10.1159 -10.1142 -4.5171 -4.5169 -0.9439 -0.9438 -0.0594 -0.0580 0.8610 0.8629 1.0880 1.0884 1.5414 1.5415 1.8958 1.8979 3.6546 3.6581 4.0663 4.0668 4.4126 4.4135 4.5267 4.5272 4.6836 4.6836 4.7872 4.7881 5.2304 5.2305 5.2694 5.2698 5.5279 5.5281 5.9247 5.9251 5.9801 5.9802 10.1387 10.1400 11.1638 11.1643 13.6052 13.6291 13.7324 13.7355 13.9595 13.9716 14.5981 14.5998 k = 0.1711 0.0988 0.4748 ( 3730 PWs) bands (ev): -30.8407 -30.8407 -14.3167 -14.3163 -12.4403 -12.4323 -12.2265 -12.2257 -11.8333 -11.8137 -11.3985 -11.3962 -11.1658 -11.1524 -10.9881 -10.9858 -10.2138 -10.2131 -10.1004 -10.0988 -4.4652 -4.4650 -0.9728 -0.9727 -0.0621 -0.0607 0.8491 0.8508 1.1073 1.1077 1.5500 1.5502 1.9530 1.9552 3.6507 3.6548 4.0216 4.0224 4.4052 4.4060 4.5305 4.5310 4.6989 4.6989 4.8097 4.8104 5.2060 5.2067 5.2670 5.2674 5.5058 5.5060 5.9131 5.9135 5.9730 5.9731 10.1445 10.1458 11.1622 11.1627 13.6164 13.6407 13.7425 13.7461 14.0137 14.0244 14.5934 14.5953 k = 0.1842 0.1064 0.4748 ( 3726 PWs) bands (ev): -30.8407 -30.8407 -14.2935 -14.2931 -12.4468 -12.4381 -12.2348 -12.2340 -11.8517 -11.8305 -11.3754 -11.3728 -11.2011 -11.1870 -11.0075 -11.0051 -10.2138 -10.2131 -10.0849 -10.0833 -4.4107 -4.4105 -1.0036 -1.0035 -0.0636 -0.0622 0.8376 0.8392 1.1281 1.1285 1.5593 1.5595 2.0113 2.0138 3.6384 3.6430 3.9848 3.9858 4.3967 4.3976 4.5344 4.5348 4.7128 4.7130 4.8350 4.8357 5.1416 5.1423 5.3008 5.3011 5.4858 5.4861 5.9006 5.9011 5.9649 5.9650 10.1498 10.1511 11.1600 11.1606 13.6275 13.6522 13.7545 13.7584 14.0694 14.0785 14.5882 14.5904 k = 0.1974 0.1140 0.4748 ( 3722 PWs) bands (ev): -30.8406 -30.8406 -14.2688 -14.2684 -12.4536 -12.4440 -12.2436 -12.2429 -11.8719 -11.8492 -11.3522 -11.3492 -11.2356 -11.2209 -11.0263 -11.0237 -10.2148 -10.2141 -10.0696 -10.0681 -4.3537 -4.3536 -1.0361 -1.0360 -0.0639 -0.0625 0.8269 0.8283 1.1503 1.1508 1.5693 1.5695 2.0702 2.0728 3.6154 3.6205 3.9582 3.9594 4.3873 4.3881 4.5381 4.5385 4.7257 4.7260 4.8625 4.8629 5.0765 5.0772 5.3295 5.3298 5.4706 5.4709 5.8874 5.8878 5.9559 5.9559 10.1546 10.1560 11.1572 11.1578 13.6387 13.6637 13.7685 13.7726 14.1254 14.1327 14.5825 14.5849 k = 0.2105 0.1215 0.4748 ( 3726 PWs) bands (ev): -30.8406 -30.8406 -14.2425 -14.2420 -12.4609 -12.4503 -12.2530 -12.2525 -11.8938 -11.8697 -11.3296 -11.3260 -11.2683 -11.2534 -11.0442 -11.0413 -10.2169 -10.2162 -10.0545 -10.0530 -4.2947 -4.2945 -1.0704 -1.0703 -0.0630 -0.0617 0.8174 0.8186 1.1740 1.1744 1.5798 1.5800 2.1287 2.1315 3.5817 3.5871 3.9427 3.9438 4.3766 4.3774 4.5415 4.5420 4.7373 4.7377 4.8901 4.8902 5.0129 5.0138 5.3477 5.3479 5.4655 5.4658 5.8735 5.8739 5.9459 5.9459 10.1589 10.1604 11.1539 11.1545 13.6500 13.6753 13.7846 13.7889 14.1808 14.1859 14.5762 14.5788 k = 0.2237 0.1291 0.4748 ( 3736 PWs) bands (ev): -30.8406 -30.8406 -14.2146 -14.2141 -12.4686 -12.4569 -12.2631 -12.2630 -11.9172 -11.8919 -11.3132 -11.3058 -11.2942 -11.2821 -11.0604 -11.0571 -10.2202 -10.2195 -10.0397 -10.0382 -4.2338 -4.2337 -1.1061 -1.1060 -0.0609 -0.0597 0.8093 0.8104 1.1989 1.1993 1.5909 1.5911 2.1859 2.1889 3.5392 3.5448 3.9367 3.9377 4.3646 4.3653 4.5447 4.5452 4.7468 4.7473 4.9061 4.9067 4.9631 4.9646 5.3501 5.3501 5.4761 5.4762 5.8591 5.8594 5.9350 5.9351 10.1627 10.1641 11.1498 11.1505 13.6615 13.6869 13.8028 13.8072 14.2342 14.2367 14.5694 14.5721 k = 0.2368 0.1367 0.4748 ( 3732 PWs) bands (ev): -30.8405 -30.8405 -14.1853 -14.1847 -12.4768 -12.4639 -12.2744 -12.2739 -11.9418 -11.9157 -11.3334 -11.3177 -11.2833 -11.2788 -11.0740 -11.0702 -10.2247 -10.2240 -10.0251 -10.0237 -4.1714 -4.1712 -1.1434 -1.1432 -0.0578 -0.0566 0.8031 0.8040 1.2250 1.2255 1.6025 1.6028 2.2405 2.2438 3.4915 3.4972 3.9378 3.9385 4.3511 4.3517 4.5477 4.5481 4.7510 4.7516 4.8726 4.8730 4.9703 4.9714 5.3393 5.3394 5.4993 5.4993 5.8443 5.8446 5.9233 5.9234 10.1659 10.1674 11.1452 11.1459 13.6731 13.6986 13.8232 13.8276 14.2841 14.2846 14.5621 14.5648 k = 0.2500 0.1443 0.4748 ( 3738 PWs) bands (ev): -30.8405 -30.8405 -14.1545 -14.1539 -12.4858 -12.4715 -12.2870 -12.2855 -11.9673 -11.9407 -11.3603 -11.3443 -11.2669 -11.2621 -11.0833 -11.0790 -10.2305 -10.2298 -10.0110 -10.0097 -4.1077 -4.1076 -1.1819 -1.1818 -0.0538 -0.0527 0.7991 0.7998 1.2522 1.2527 1.6147 1.6150 2.2911 2.2947 3.4419 3.4479 3.9434 3.9439 4.3356 4.3362 4.5503 4.5506 4.7386 4.7394 4.8345 4.8347 5.0002 5.0010 5.3219 5.3222 5.5282 5.5284 5.8294 5.8297 5.9110 5.9110 10.1686 10.1700 11.1400 11.1406 13.6849 13.7104 13.8456 13.8499 14.3267 14.3308 14.5545 14.5570 k = 0.2632 0.1519 0.4748 ( 3738 PWs) bands (ev): -30.8405 -30.8405 -14.1223 -14.1217 -12.4957 -12.4799 -12.3009 -12.2981 -11.9932 -11.9665 -11.3854 -11.3696 -11.2551 -11.2500 -11.0862 -11.0816 -10.2376 -10.2369 -9.9973 -9.9960 -4.0431 -4.0430 -1.2216 -1.2215 -0.0491 -0.0481 0.7977 0.7982 1.2804 1.2809 1.6272 1.6275 2.3358 2.3396 3.3940 3.4001 3.9520 3.9522 4.3176 4.3181 4.5526 4.5529 4.6984 4.6991 4.8235 4.8235 5.0332 5.0339 5.3015 5.3020 5.5591 5.5594 5.8148 5.8150 5.8979 5.8979 10.1708 10.1722 11.1341 11.1348 13.6970 13.7225 13.8700 13.8741 14.3632 14.3714 14.5470 14.5489 k = 0.2763 0.1595 0.4748 ( 3742 PWs) bands (ev): -30.8404 -30.8404 -14.0888 -14.0881 -12.5069 -12.4895 -12.3161 -12.3116 -12.0188 -11.9925 -11.4083 -11.3929 -11.2498 -11.2449 -11.0810 -11.0766 -10.2461 -10.2454 -9.9840 -9.9828 -3.9779 -3.9778 -1.2624 -1.2622 -0.0438 -0.0429 0.7992 0.7996 1.3095 1.3099 1.6401 1.6405 2.3723 2.3764 3.3511 3.3574 3.9621 3.9622 4.2964 4.2967 4.5547 4.5549 4.6451 4.6455 4.8281 4.8282 5.0672 5.0677 5.2798 5.2803 5.5898 5.5903 5.8010 5.8010 5.8842 5.8843 10.1725 10.1740 11.1277 11.1283 13.7093 13.7348 13.8961 13.9001 14.3925 14.4053 14.5401 14.5411 k = 0.2895 0.1671 0.4748 ( 3742 PWs) bands (ev): -30.8404 -30.8404 -14.0540 -14.0533 -12.5198 -12.5007 -12.3326 -12.3259 -12.0435 -12.0181 -11.4289 -11.4141 -11.2513 -11.2468 -11.0677 -11.0638 -10.2558 -10.2551 -9.9712 -9.9701 -3.9123 -3.9122 -1.3040 -1.3038 -0.0383 -0.0374 0.8039 0.8042 1.3392 1.3396 1.6533 1.6537 2.3979 2.4021 3.3165 3.3229 3.9730 3.9731 4.2707 4.2709 4.5565 4.5567 4.5912 4.5916 4.8375 4.8377 5.1014 5.1019 5.2572 5.2578 5.6191 5.6197 5.7885 5.7886 5.8700 5.8701 10.1739 10.1753 11.1208 11.1214 13.7220 13.7475 13.9238 13.9275 14.4133 14.4307 14.5348 14.5351 k = 0.3026 0.1747 0.4748 ( 3746 PWs) bands (ev): -30.8404 -30.8404 -14.0181 -14.0172 -12.5351 -12.5144 -12.3499 -12.3409 -12.0666 -12.0426 -11.4473 -11.4332 -11.2579 -11.2540 -11.0481 -11.0449 -10.2669 -10.2662 -9.9590 -9.9580 -3.8467 -3.8467 -1.3463 -1.3461 -0.0326 -0.0319 0.8123 0.8123 1.3694 1.3699 1.6667 1.6672 2.4101 2.4144 3.2932 3.2995 3.9841 3.9843 4.2396 4.2396 4.5412 4.5414 4.5587 4.5592 4.8485 4.8487 5.1354 5.1359 5.2339 5.2346 5.6449 5.6458 5.7789 5.7792 5.8553 5.8554 10.1750 10.1763 11.1134 11.1140 13.7351 13.7604 13.9528 13.9562 14.4246 14.4456 14.5322 14.5332 k = 0.3158 0.1823 0.4748 ( 3754 PWs) bands (ev): -30.8404 -30.8404 -13.9810 -13.9801 -12.5532 -12.5314 -12.3673 -12.3561 -12.0876 -12.0654 -11.4637 -11.4503 -11.2677 -11.2644 -11.0243 -11.0217 -10.2793 -10.2786 -9.9474 -9.9464 -3.7815 -3.7814 -1.3891 -1.3889 -0.0271 -0.0265 0.8244 0.8244 1.3999 1.4004 1.6803 1.6808 2.4072 2.4114 3.2831 3.2892 3.9950 3.9953 4.2021 4.2023 4.4986 4.4988 4.5604 4.5606 4.8601 4.8603 5.1690 5.1695 5.2102 5.2110 5.6647 5.6658 5.7748 5.7755 5.8402 5.8402 10.1758 10.1771 11.1056 11.1062 13.7485 13.7736 13.9827 13.9859 14.4267 14.4490 14.5346 14.5347 k = 0.3289 0.1899 0.4748 ( 3754 PWs) bands (ev): -30.8403 -30.8403 -13.9429 -13.9420 -12.5747 -12.5525 -12.3838 -12.3709 -12.1062 -12.0862 -11.4781 -11.4656 -11.2792 -11.2765 -10.9979 -10.9957 -10.2929 -10.2923 -9.9364 -9.9355 -3.7170 -3.7169 -1.4321 -1.4320 -0.0220 -0.0214 0.8404 0.8406 1.4304 1.4309 1.6939 1.6944 2.3888 2.3927 3.2868 3.2925 4.0054 4.0059 4.1585 4.1589 4.4632 4.4634 4.5623 4.5624 4.8717 4.8720 5.1848 5.1860 5.2032 5.2034 5.6752 5.6766 5.7796 5.7804 5.8247 5.8248 10.1764 10.1777 11.0975 11.0981 13.7623 13.7872 14.0135 14.0163 14.4217 14.4432 14.5384 14.5405 k = 0.3421 0.1975 0.4748 ( 3752 PWs) bands (ev): -30.8403 -30.8403 -13.9040 -13.9030 -12.6001 -12.5784 -12.3985 -12.3848 -12.1224 -12.1047 -11.4907 -11.4791 -11.2916 -11.2892 -10.9698 -10.9681 -10.3079 -10.3073 -9.9261 -9.9252 -3.6536 -3.6535 -1.4752 -1.4750 -0.0172 -0.0168 0.8606 0.8610 1.4606 1.4611 1.7076 1.7081 2.3563 2.3597 3.3029 3.3081 4.0150 4.0155 4.1103 4.1108 4.4347 4.4351 4.5644 4.5644 4.8832 4.8834 5.1604 5.1614 5.2352 5.2355 5.6762 5.6775 5.7932 5.7938 5.8092 5.8095 10.1769 10.1782 11.0893 11.0899 13.7764 13.8009 14.0447 14.0471 14.4122 14.4322 14.5428 14.5472 k = 0.3553 0.2051 0.4748 ( 3748 PWs) bands (ev): -30.8403 -30.8403 -13.8644 -13.8633 -12.6293 -12.6090 -12.4109 -12.3973 -12.1363 -12.1208 -11.5017 -11.4911 -11.3040 -11.3020 -10.9407 -10.9393 -10.3240 -10.3234 -9.9164 -9.9156 -3.5916 -3.5916 -1.5179 -1.5177 -0.0131 -0.0127 0.8851 0.8855 1.4903 1.4908 1.7212 1.7218 2.3120 2.3149 3.3291 3.3337 4.0225 4.0232 4.0602 4.0609 4.4120 4.4124 4.5666 4.5667 4.8942 4.8945 5.1350 5.1361 5.2668 5.2670 5.6711 5.6723 5.7922 5.7924 5.8133 5.8143 10.1774 10.1786 11.0810 11.0815 13.7907 13.8148 14.0759 14.0780 14.4001 14.4186 14.5469 14.5532 k = 0.3684 0.2127 0.4748 ( 3742 PWs) bands (ev): -30.8402 -30.8402 -13.8243 -13.8231 -12.6622 -12.6437 -12.4210 -12.4081 -12.1480 -12.1347 -11.5112 -11.5016 -11.3160 -11.3143 -10.9110 -10.9099 -10.3412 -10.3407 -9.9075 -9.9067 -3.5317 -3.5317 -1.5599 -1.5598 -0.0096 -0.0093 0.9136 0.9141 1.5189 1.5195 1.7346 1.7353 2.2587 2.2611 3.3624 3.3664 4.0027 4.0028 4.0361 4.0362 4.3938 4.3942 4.5692 4.5694 4.9047 4.9050 5.1092 5.1104 5.2974 5.2976 5.6633 5.6643 5.7762 5.7763 5.8344 5.8352 10.1779 10.1790 11.0727 11.0732 13.8052 13.8286 14.1069 14.1085 14.3871 14.4038 14.5503 14.5580 k = 0.3816 0.2203 0.4748 ( 3748 PWs) bands (ev): -30.8402 -30.8402 -13.7840 -13.7828 -12.6979 -12.6816 -12.4290 -12.4173 -12.1579 -12.1465 -11.5194 -11.5108 -11.3275 -11.3261 -10.8811 -10.8802 -10.3595 -10.3591 -9.8993 -9.8986 -3.4742 -3.4742 -1.6009 -1.6007 -0.0067 -0.0065 0.9461 0.9467 1.5462 1.5468 1.7479 1.7485 2.1990 2.2010 3.4001 3.4036 3.9522 3.9526 4.0413 4.0416 4.3790 4.3794 4.5721 4.5724 4.9145 4.9148 5.0832 5.0845 5.3269 5.3271 5.6545 5.6555 5.7599 5.7600 5.8558 5.8564 10.1783 10.1794 11.0646 11.0651 13.8196 13.8422 14.1371 14.1382 14.3740 14.3889 14.5530 14.5616 k = 0.3947 0.2279 0.4748 ( 3756 PWs) bands (ev): -30.8402 -30.8402 -13.7439 -13.7426 -12.7355 -12.7215 -12.4354 -12.4251 -12.1661 -12.1565 -11.5264 -11.5188 -11.3382 -11.3369 -10.8512 -10.8505 -10.3788 -10.3784 -9.8919 -9.8913 -3.4198 -3.4198 -1.6403 -1.6401 -0.0044 -0.0043 0.9823 0.9828 1.5717 1.5723 1.7607 1.7614 2.1354 2.1370 3.4399 3.4429 3.9024 3.9028 4.0469 4.0473 4.3669 4.3673 4.5754 4.5758 4.9236 4.9238 5.0574 5.0586 5.3552 5.3554 5.6459 5.6467 5.7435 5.7436 5.8761 5.8766 10.1788 10.1797 11.0568 11.0573 13.8339 13.8554 14.1661 14.1665 14.3616 14.3745 14.5551 14.5645 k = 0.4079 0.2355 0.4748 ( 3754 PWs) bands (ev): -30.8402 -30.8402 -13.7043 -13.7029 -12.7742 -12.7622 -12.4404 -12.4315 -12.1728 -12.1648 -11.5323 -11.5257 -11.3479 -11.3468 -10.8217 -10.8211 -10.3989 -10.3984 -9.8853 -9.8848 -3.3691 -3.3691 -1.6776 -1.6774 -0.0027 -0.0026 1.0216 1.0222 1.5950 1.5956 1.7729 1.7737 2.0697 2.0710 3.4798 3.4823 3.8554 3.8559 4.0516 4.0520 4.3569 4.3573 4.5791 4.5795 4.9318 4.9320 5.0321 5.0333 5.3821 5.3823 5.6378 5.6385 5.7271 5.7272 5.8949 5.8953 10.1793 10.1802 11.0495 11.0500 13.8479 13.8680 14.1929 14.1933 14.3505 14.3613 14.5568 14.5667 k = 0.4211 0.2431 0.4748 ( 3754 PWs) bands (ev): -30.8401 -30.8401 -13.6659 -13.6645 -12.8127 -12.8026 -12.4442 -12.4367 -12.1783 -12.1718 -11.5372 -11.5316 -11.3565 -11.3556 -10.7926 -10.7922 -10.4195 -10.4191 -9.8795 -9.8791 -3.3227 -3.3227 -1.7121 -1.7120 -0.0015 -0.0014 1.0634 1.0640 1.6156 1.6162 1.7842 1.7850 2.0041 2.0052 3.5182 3.5202 3.8126 3.8130 4.0553 4.0557 4.3487 4.3490 4.5831 4.5836 4.9390 4.9392 5.0079 5.0091 5.4074 5.4076 5.6305 5.6311 5.7109 5.7109 5.9117 5.9120 10.1798 10.1806 11.0429 11.0432 13.8612 13.8795 14.2166 14.2181 14.3415 14.3497 14.5583 14.5686 k = 0.4342 0.2507 0.4748 ( 3754 PWs) bands (ev): -30.8401 -30.8401 -13.6295 -13.6281 -12.8497 -12.8415 -12.4471 -12.4410 -12.1826 -12.1774 -11.5412 -11.5365 -11.3639 -11.3632 -10.7645 -10.7642 -10.4404 -10.4401 -9.8746 -9.8743 -3.2815 -3.2815 -1.7432 -1.7431 -0.0007 -0.0006 1.1068 1.1074 1.6334 1.6340 1.7935 1.7944 1.9408 1.9417 3.5534 3.5551 3.7747 3.7751 4.0581 4.0584 4.3421 4.3423 4.5873 4.5878 4.9452 4.9455 4.9854 4.9865 5.4310 5.4312 5.6243 5.6248 5.6950 5.6951 5.9263 5.9265 10.1804 10.1810 11.0370 11.0373 13.8736 13.8898 14.2368 14.2395 14.3350 14.3405 14.5598 14.5702 k = 0.4474 0.2583 0.4748 ( 3758 PWs) bands (ev): -30.8401 -30.8401 -13.5961 -13.5948 -12.8839 -12.8773 -12.4493 -12.4445 -12.1860 -12.1820 -11.5442 -11.5405 -11.3701 -11.3695 -10.7379 -10.7376 -10.4611 -10.4608 -9.8706 -9.8703 -3.2462 -3.2462 -1.7702 -1.7701 -0.0001 -0.0001 1.1503 1.1508 1.6481 1.6486 1.7983 1.7994 1.8841 1.8850 3.5843 3.5856 3.7427 3.7430 4.0599 4.0602 4.3368 4.3370 4.5915 4.5920 4.9501 4.9505 4.9656 4.9663 5.4525 5.4527 5.6191 5.6195 5.6799 5.6799 5.9384 5.9386 10.1808 10.1814 11.0319 11.0322 13.8848 13.8983 14.2524 14.2565 14.3316 14.3343 14.5614 14.5716 k = 0.4605 0.2659 0.4748 ( 3746 PWs) bands (ev): -30.8401 -30.8401 -13.5672 -13.5661 -12.9135 -12.9085 -12.4507 -12.4472 -12.1884 -12.1855 -11.5465 -11.5437 -11.3749 -11.3745 -10.7135 -10.7133 -10.4808 -10.4806 -9.8674 -9.8672 -3.2177 -3.2177 -1.7921 -1.7921 0.0002 0.0002 1.1916 1.1920 1.6595 1.6600 1.7882 1.7893 1.8467 1.8475 3.6095 3.6105 3.7173 3.7175 4.0611 4.0613 4.3328 4.3329 4.5954 4.5958 4.9470 4.9482 4.9556 4.9558 5.4714 5.4715 5.6150 5.6153 5.6660 5.6660 5.9480 5.9482 10.1813 10.1817 11.0279 11.0281 13.8944 13.9050 14.2632 14.2680 14.3314 14.3318 14.5633 14.5726 k = 0.4737 0.2735 0.4748 ( 3754 PWs) bands (ev): -30.8401 -30.8401 -13.5445 -13.5436 -12.9365 -12.9331 -12.4516 -12.4492 -12.1900 -12.1881 -11.5479 -11.5461 -11.3783 -11.3781 -10.6929 -10.6928 -10.4981 -10.4979 -9.8651 -9.8650 -3.1967 -3.1967 -1.8085 -1.8084 0.0004 0.0004 1.2273 1.2276 1.6677 1.6682 1.7575 1.7582 1.8379 1.8382 3.6280 3.6286 3.6991 3.6993 4.0617 4.0618 4.3299 4.3300 4.5986 4.5989 4.9349 4.9356 4.9580 4.9581 5.4866 5.4867 5.6121 5.6123 5.6543 5.6543 5.9549 5.9550 10.1816 10.1819 11.0249 11.0251 13.9021 13.9094 14.2696 14.2739 14.3325 14.3333 14.5655 14.5728 k = 0.4868 0.2811 0.4748 ( 3752 PWs) bands (ev): -30.8401 -30.8401 -13.5298 -13.5293 -12.9510 -12.9493 -12.4518 -12.4506 -12.1908 -12.1898 -11.5486 -11.5477 -11.3804 -11.3803 -10.6784 -10.6784 -10.5105 -10.5105 -9.8637 -9.8637 -3.1838 -3.1838 -1.8185 -1.8185 0.0005 0.0005 1.2525 1.2526 1.6727 1.6731 1.7299 1.7304 1.8382 1.8383 3.6389 3.6392 3.6886 3.6887 4.0620 4.0621 4.3283 4.3283 4.6008 4.6009 4.9270 4.9274 4.9597 4.9597 5.4968 5.4969 5.6104 5.6105 5.6462 5.6463 5.9591 5.9592 10.1819 10.1820 11.0231 11.0232 13.9076 13.9113 14.2732 14.2756 14.3346 14.3352 14.5679 14.5720 k = 0.5000 0.2887 0.4748 ( 3748 PWs) bands (ev): -30.8401 -30.8401 -13.5245 -13.5245 -12.9555 -12.9555 -12.4515 -12.4515 -12.1907 -12.1907 -11.5485 -11.5485 -11.3810 -11.3810 -10.6730 -10.6730 -10.5152 -10.5152 -9.8632 -9.8632 -3.1795 -3.1795 -1.8219 -1.8219 0.0005 0.0005 1.2617 1.2617 1.6746 1.6746 1.7196 1.7196 1.8387 1.8387 3.6425 3.6425 3.6854 3.6854 4.0621 4.0621 4.3277 4.3277 4.6016 4.6016 4.9244 4.9244 4.9603 4.9603 5.5005 5.5005 5.6099 5.6099 5.6433 5.6433 5.9606 5.9606 10.1820 10.1820 11.0226 11.0226 13.9107 13.9107 14.2751 14.2751 14.3358 14.3358 14.5703 14.5703 k = 0.5000 0.2887 0.4748 ( 3748 PWs) bands (ev): -30.8401 -30.8401 -13.5245 -13.5245 -12.9555 -12.9555 -12.4515 -12.4515 -12.1907 -12.1907 -11.5485 -11.5485 -11.3810 -11.3810 -10.6730 -10.6730 -10.5152 -10.5152 -9.8632 -9.8632 -3.1795 -3.1795 -1.8219 -1.8219 0.0005 0.0005 1.2617 1.2617 1.6746 1.6746 1.7196 1.7196 1.8387 1.8387 3.6425 3.6425 3.6854 3.6854 4.0621 4.0621 4.3277 4.3277 4.6016 4.6016 4.9244 4.9244 4.9603 4.9603 5.5005 5.5005 5.6099 5.6099 5.6433 5.6433 5.9606 5.9606 10.1820 10.1820 11.0226 11.0226 13.9107 13.9107 14.2751 14.2751 14.3358 14.3358 14.5703 14.5703 k = 0.4924 0.3018 0.4748 ( 3756 PWs) bands (ev): -30.8401 -30.8401 -13.5237 -13.5236 -12.9554 -12.9549 -12.4521 -12.4507 -12.1920 -12.1903 -11.5595 -11.5583 -11.3725 -11.3717 -10.6747 -10.6705 -10.5165 -10.5131 -9.8638 -9.8636 -3.1778 -3.1778 -1.8234 -1.8233 0.0020 0.0021 1.2568 1.2581 1.6600 1.6654 1.7308 1.7329 1.8418 1.8447 3.6372 3.6387 3.6810 3.6816 4.0654 4.0660 4.3308 4.3311 4.6017 4.6020 4.9227 4.9240 4.9606 4.9616 5.4994 5.4999 5.6099 5.6106 5.6438 5.6442 5.9608 5.9610 10.1819 10.1821 11.0223 11.0225 13.9107 13.9122 14.2584 14.2827 14.3244 14.3393 14.5711 14.5741 k = 0.4848 0.3149 0.4748 ( 3750 PWs) bands (ev): -30.8401 -30.8401 -13.5214 -13.5210 -12.9547 -12.9536 -12.4525 -12.4497 -12.1941 -12.1906 -11.5862 -11.5842 -11.3507 -11.3495 -10.6755 -10.6672 -10.5171 -10.5102 -9.8654 -9.8650 -3.1729 -3.1728 -1.8277 -1.8276 0.0067 0.0067 1.2438 1.2462 1.6370 1.6440 1.7538 1.7564 1.8536 1.8593 3.6231 3.6260 3.6689 3.6703 4.0756 4.0767 4.3400 4.3406 4.6024 4.6030 4.9191 4.9213 4.9625 4.9641 5.4967 5.4975 5.6106 5.6120 5.6458 5.6465 5.9617 5.9622 10.1818 10.1822 11.0217 11.0221 13.9122 13.9153 14.2329 14.2765 14.3114 14.3364 14.5765 14.5793 k = 0.4773 0.3280 0.4748 ( 3754 PWs) bands (ev): -30.8401 -30.8401 -13.5174 -13.5168 -12.9534 -12.9517 -12.4528 -12.4485 -12.1970 -12.1918 -11.6216 -11.6189 -11.3229 -11.3215 -10.6755 -10.6630 -10.5170 -10.5066 -9.8680 -9.8674 -3.1646 -3.1645 -1.8350 -1.8349 0.0143 0.0144 1.2238 1.2271 1.6126 1.6200 1.7785 1.7833 1.8733 1.8817 3.6008 3.6052 3.6505 3.6527 4.0916 4.0929 4.3546 4.3554 4.6038 4.6046 4.9137 4.9165 4.9659 4.9678 5.4923 5.4935 5.6118 5.6138 5.6495 5.6505 5.9632 5.9639 10.1816 10.1822 11.0208 11.0214 13.9149 13.9199 14.1999 14.2505 14.3063 14.3304 14.5818 14.5836 k = 0.4697 0.3412 0.4748 ( 3756 PWs) bands (ev): -30.8401 -30.8401 -13.5117 -13.5110 -12.9514 -12.9491 -12.4529 -12.4472 -12.2007 -12.1939 -11.6613 -11.6582 -11.2933 -11.2919 -10.6746 -10.6580 -10.5160 -10.5022 -9.8716 -9.8708 -3.1530 -3.1529 -1.8452 -1.8450 0.0250 0.0252 1.1984 1.2023 1.5878 1.5953 1.8039 1.8111 1.8999 1.9103 3.5713 3.5769 3.6273 3.6302 4.1121 4.1134 4.3731 4.3741 4.6058 4.6069 4.9068 4.9099 4.9707 4.9726 5.4863 5.4877 5.6133 5.6157 5.6553 5.6563 5.9651 5.9660 10.1814 10.1823 11.0196 11.0204 13.9185 13.9261 14.1619 14.2131 14.3041 14.3233 14.5821 14.5868 k = 0.4621 0.3543 0.4748 ( 3756 PWs) bands (ev): -30.8401 -30.8401 -13.5045 -13.5036 -12.9488 -12.9460 -12.4530 -12.4457 -12.2052 -12.1967 -11.7036 -11.6999 -11.2639 -11.2624 -10.6729 -10.6522 -10.5143 -10.4970 -9.8760 -9.8751 -3.1383 -3.1381 -1.8582 -1.8579 0.0386 0.0389 1.1689 1.1732 1.5629 1.5701 1.8303 1.8391 1.9322 1.9437 3.5358 3.5423 3.6009 3.6042 4.1358 4.1370 4.3944 4.3954 4.6088 4.6101 4.8983 4.9016 4.9767 4.9784 5.4787 5.4803 5.6149 5.6177 5.6632 5.6642 5.9673 5.9683 10.1812 10.1823 11.0181 11.0190 13.9227 13.9337 14.1219 14.1709 14.3014 14.3156 14.5789 14.5863 k = 0.4545 0.3674 0.4748 ( 3756 PWs) bands (ev): -30.8401 -30.8401 -13.4957 -13.4947 -12.9458 -12.9423 -12.4530 -12.4443 -12.2104 -12.2005 -11.7471 -11.7428 -11.2356 -11.2341 -10.6705 -10.6457 -10.5117 -10.4911 -9.8814 -9.8803 -3.1203 -3.1201 -1.8740 -1.8737 0.0552 0.0555 1.1366 1.1410 1.5377 1.5447 1.8575 1.8672 1.9687 1.9807 3.4953 3.5023 3.5724 3.5757 4.1616 4.1627 4.4170 4.4180 4.6128 4.6145 4.8884 4.8918 4.9839 4.9853 5.4696 5.4712 5.6167 5.6196 5.6731 5.6739 5.9695 5.9707 10.1810 10.1823 11.0163 11.0174 13.9261 13.9426 14.0826 14.1270 14.2972 14.3072 14.5735 14.5825 k = 0.4470 0.3805 0.4748 ( 3756 PWs) bands (ev): -30.8401 -30.8401 -13.4854 -13.4841 -12.9422 -12.9381 -12.4532 -12.4429 -12.2162 -12.2050 -11.7913 -11.7862 -11.2091 -11.2075 -10.6673 -10.6386 -10.5083 -10.4843 -9.8877 -9.8864 -3.0993 -3.0990 -1.8927 -1.8923 0.0746 0.0749 1.1022 1.1067 1.5125 1.5191 1.8857 1.8959 2.0083 2.0203 3.4508 3.4580 3.5423 3.5455 4.1889 4.1897 4.4398 4.4408 4.6182 4.6203 4.8772 4.8806 4.9923 4.9934 5.4590 5.4607 5.6186 5.6216 5.6847 5.6855 5.9715 5.9728 10.1808 10.1823 11.0142 11.0155 13.9267 13.9526 14.0474 14.0832 14.2911 14.2983 14.5667 14.5765 k = 0.4394 0.3936 0.4748 ( 3756 PWs) bands (ev): -30.8401 -30.8401 -13.4736 -13.4721 -12.9383 -12.9335 -12.4536 -12.4418 -12.2227 -12.2104 -11.8354 -11.8294 -11.1846 -11.1829 -10.6634 -10.6309 -10.5040 -10.4769 -9.8947 -9.8933 -3.0753 -3.0749 -1.9140 -1.9136 0.0967 0.0971 1.0666 1.0712 1.4871 1.4934 1.9148 1.9252 2.0497 2.0616 3.4030 3.4104 3.5113 3.5142 4.2170 4.2175 4.4614 4.4624 4.6254 4.6279 4.8646 4.8681 5.0018 5.0026 5.4472 5.4488 5.6206 5.6237 5.6979 5.6985 5.9731 5.9745 10.1806 10.1823 11.0118 11.0133 13.9198 13.9635 14.0209 14.0416 14.2823 14.2896 14.5594 14.5694 k = 0.4318 0.4068 0.4748 ( 3756 PWs) bands (ev): -30.8401 -30.8401 -13.4603 -13.4586 -12.9342 -12.9286 -12.4544 -12.4411 -12.2296 -12.2167 -11.8790 -11.8719 -11.1624 -11.1604 -10.6588 -10.6228 -10.4988 -10.4687 -9.9025 -9.9009 -3.0483 -3.0479 -1.9380 -1.9376 0.1214 0.1219 1.0303 1.0348 1.4617 1.4678 1.9449 1.9554 2.0923 2.1040 3.3527 3.3602 3.4798 3.4824 4.2454 4.2457 4.4809 4.4821 4.6347 4.6376 4.8507 4.8544 5.0125 5.0130 5.4343 5.4359 5.6228 5.6259 5.7124 5.7129 5.9740 5.9755 10.1804 10.1823 11.0093 11.0109 13.9020 13.9744 13.9961 14.0145 14.2712 14.2811 14.5521 14.5618 k = 0.4242 0.4199 0.4748 ( 3748 PWs) bands (ev): -30.8401 -30.8401 -13.4456 -13.4437 -12.9299 -12.9236 -12.4559 -12.4411 -12.2369 -12.2238 -11.9215 -11.9129 -11.1424 -11.1402 -10.6538 -10.6144 -10.4928 -10.4598 -9.9109 -9.9092 -3.0185 -3.0181 -1.9647 -1.9642 0.1487 0.1492 0.9936 0.9981 1.4364 1.4422 1.9761 1.9866 2.1355 2.1469 3.3004 3.3080 3.4481 3.4503 4.2737 4.2740 4.4976 4.4990 4.6462 4.6496 4.8359 4.8398 5.0241 5.0247 5.4206 5.4220 5.6251 5.6281 5.7279 5.7283 5.9742 5.9757 10.1803 10.1823 11.0065 11.0083 13.8763 13.9591 13.9870 14.0115 14.2589 14.2725 14.5453 14.5544 k = 0.4167 0.4330 0.4748 ( 3752 PWs) bands (ev): -30.8400 -30.8400 -13.4296 -13.4276 -12.9257 -12.9186 -12.4583 -12.4420 -12.2444 -12.2316 -11.9624 -11.9519 -11.1247 -11.1223 -10.6483 -10.6059 -10.4860 -10.4505 -9.9198 -9.9180 -2.9861 -2.9856 -1.9939 -1.9933 0.1782 0.1788 0.9570 0.9614 1.4112 1.4169 2.0081 2.0188 2.1785 2.1899 3.2467 3.2543 3.4165 3.4184 4.3017 4.3023 4.5113 4.5128 4.6597 4.6637 4.8200 4.8243 5.0366 5.0375 5.4062 5.4075 5.6275 5.6303 5.7440 5.7444 5.9733 5.9749 10.1801 10.1823 11.0036 11.0056 13.8482 13.9256 13.9970 14.0149 14.2466 14.2642 14.5391 14.5475 k = 0.4091 0.4461 0.4748 ( 3756 PWs) bands (ev): -30.8400 -30.8400 -13.4124 -13.4102 -12.9217 -12.9138 -12.4620 -12.4444 -12.2516 -12.2401 -12.0010 -11.9882 -11.1092 -11.1067 -10.6424 -10.5975 -10.4786 -10.4407 -9.9291 -9.9272 -2.9511 -2.9506 -2.0255 -2.0249 0.2099 0.2106 0.9204 0.9248 1.3864 1.3919 2.0411 2.0521 2.2211 2.2324 3.1920 3.1997 3.3852 3.3870 4.3291 4.3301 4.5222 4.5238 4.6746 4.6792 4.8035 4.8085 5.0500 5.0512 5.3913 5.3925 5.6299 5.6326 5.7607 5.7611 5.9714 5.9730 10.1800 10.1823 11.0006 11.0027 13.8211 13.8956 14.0053 14.0193 14.2357 14.2571 14.5339 14.5414 k = 0.4015 0.4593 0.4748 ( 3764 PWs) bands (ev): -30.8400 -30.8400 -13.3941 -13.3917 -12.9182 -12.9095 -12.4673 -12.4484 -12.2584 -12.2490 -12.0368 -12.0211 -11.0959 -11.0932 -10.6364 -10.5892 -10.4708 -10.4309 -9.9385 -9.9367 -2.9138 -2.9131 -2.0595 -2.0588 0.2436 0.2444 0.8842 0.8885 1.3622 1.3675 2.0750 2.0863 2.2626 2.2741 3.1368 3.1446 3.3546 3.3565 4.3559 4.3572 4.5307 4.5325 4.6895 4.6952 4.7867 4.7927 5.0641 5.0657 5.3762 5.3773 5.6321 5.6347 5.7776 5.7780 5.9684 5.9699 10.1798 10.1823 10.9976 10.9997 13.7968 13.8698 14.0104 14.0218 14.2278 14.2525 14.5295 14.5361 k = 0.3939 0.4724 0.4748 ( 3768 PWs) bands (ev): -30.8400 -30.8400 -13.3749 -13.3724 -12.9154 -12.9060 -12.4744 -12.4545 -12.2645 -12.2577 -12.0695 -12.0503 -11.0846 -11.0818 -10.6303 -10.5811 -10.4628 -10.4210 -9.9480 -9.9461 -2.8742 -2.8735 -2.0958 -2.0949 0.2790 0.2799 0.8484 0.8527 1.3386 1.3439 2.1095 2.1214 2.3027 2.3145 3.0816 3.0895 3.3250 3.3271 4.3817 4.3835 4.5375 4.5394 4.7024 4.7099 4.7707 4.7784 5.0788 5.0809 5.3611 5.3621 5.6343 5.6368 5.7944 5.7949 5.9641 5.9656 10.1797 10.1823 10.9945 10.9968 13.7760 13.8486 14.0109 14.0203 14.2249 14.2519 14.5259 14.5317 k = 0.3864 0.4855 0.4748 ( 3776 PWs) bands (ev): -30.8400 -30.8400 -13.3551 -13.3524 -12.9138 -12.9038 -12.4833 -12.4626 -12.2703 -12.2648 -12.0987 -12.0753 -11.0752 -11.0722 -10.6242 -10.5733 -10.4550 -10.4116 -9.9572 -9.9554 -2.8328 -2.8319 -2.1341 -2.1332 0.3159 0.3169 0.8131 0.8173 1.3161 1.3213 2.1445 2.1572 2.3406 2.3531 3.0270 3.0350 3.2968 3.2992 4.4063 4.4087 4.5431 4.5453 4.7097 4.7190 4.7591 4.7686 5.0938 5.0964 5.3460 5.3472 5.6363 5.6387 5.8109 5.8115 5.9588 5.9602 10.1797 10.1823 10.9915 10.9939 13.7592 13.8322 14.0062 14.0140 14.2279 14.2562 14.5228 14.5282 k = 0.3788 0.4986 0.4748 ( 3776 PWs) bands (ev): -30.8400 -30.8400 -13.3349 -13.3320 -12.9136 -12.9031 -12.4938 -12.4726 -12.2769 -12.2684 -12.1242 -12.0960 -11.0675 -11.0645 -10.6184 -10.5659 -10.4476 -10.4027 -9.9659 -9.9642 -2.7896 -2.7886 -2.1743 -2.1732 0.3538 0.3550 0.7782 0.7825 1.2950 1.3001 2.1795 2.1934 2.3757 2.3891 2.9738 2.9820 3.2704 3.2731 4.4294 4.4325 4.5481 4.5508 4.7065 4.7143 4.7599 4.7678 5.1089 5.1120 5.3314 5.3328 5.6381 5.6403 5.8269 5.8276 5.9523 5.9536 10.1797 10.1824 10.9887 10.9911 13.7465 13.8208 13.9961 14.0032 14.2368 14.2656 14.5197 14.5255 k = 0.3712 0.5117 0.4748 ( 3776 PWs) bands (ev): -30.8400 -30.8400 -13.3147 -13.3118 -12.9150 -12.9043 -12.5052 -12.4837 -12.2831 -12.2694 -12.1461 -12.1128 -11.0614 -11.0583 -10.6128 -10.5590 -10.4412 -10.3949 -9.9738 -9.9722 -2.7451 -2.7439 -2.2162 -2.2149 0.3924 0.3938 0.7439 0.7483 1.2755 1.2806 2.2141 2.2296 2.4070 2.4216 2.9232 2.9315 3.2463 3.2494 4.4506 4.4545 4.5532 4.5564 4.6943 4.6993 4.7691 4.7741 5.1235 5.1273 5.3174 5.3192 5.6396 5.6418 5.8422 5.8431 5.9450 5.9462 10.1797 10.1825 10.9860 10.9885 13.7377 13.8143 13.9813 13.9895 14.2505 14.2796 14.5137 14.5206 k = 0.3636 0.5249 0.4748 ( 3780 PWs) bands (ev): -30.8400 -30.8400 -13.2952 -13.2924 -12.9181 -12.9077 -12.5163 -12.4948 -12.2881 -12.2684 -12.1645 -12.1258 -11.0566 -11.0536 -10.6078 -10.5526 -10.4360 -10.3883 -9.9806 -9.9793 -2.6998 -2.6984 -2.2592 -2.2577 0.4312 0.4328 0.7101 0.7146 1.2582 1.2633 2.2474 2.2652 2.4330 2.4495 2.8769 2.8849 3.2250 3.2285 4.4691 4.4740 4.5590 4.5630 4.6778 4.6814 4.7793 4.7826 5.1373 5.1419 5.3044 5.3067 5.6409 5.6430 5.8563 5.8575 5.9369 5.9381 10.1797 10.1826 10.9837 10.9862 13.7327 13.8126 13.9634 13.9744 14.2675 14.2972 14.4945 14.4976 k = 0.3561 0.5380 0.4748 ( 3772 PWs) bands (ev): -30.8400 -30.8400 -13.2772 -13.2747 -12.9227 -12.9129 -12.5260 -12.5049 -12.2917 -12.2661 -12.1794 -12.1355 -11.0532 -11.0502 -10.6034 -10.5470 -10.4321 -10.3831 -9.9861 -9.9850 -2.6547 -2.6529 -2.3026 -2.3007 0.4696 0.4714 0.6769 0.6817 1.2436 1.2487 2.2785 2.2993 2.4518 2.4709 2.8373 2.8447 3.2071 3.2110 4.4842 4.4901 4.5664 4.5712 4.6599 4.6628 4.7882 4.7906 5.1495 5.1550 5.2928 5.2959 5.6419 5.6439 5.8692 5.8709 5.9284 5.9296 10.1798 10.1827 10.9818 10.9843 13.7309 13.8155 13.9442 13.9594 14.2861 14.3175 14.4701 14.4739 k = 0.3485 0.5511 0.4748 ( 3772 PWs) bands (ev): -30.8400 -30.8400 -13.2620 -13.2600 -12.9279 -12.9191 -12.5333 -12.5129 -12.2940 -12.2632 -12.1908 -12.1421 -11.0509 -11.0479 -10.5999 -10.5424 -10.4298 -10.3796 -9.9901 -9.9893 -2.6117 -2.6094 -2.3446 -2.3421 0.5063 0.5089 0.6442 0.6498 1.2323 1.2373 2.3054 2.3303 2.4614 2.4841 2.8076 2.8136 3.1934 3.1976 4.4952 4.5021 4.5757 4.5814 4.6420 4.6446 4.7949 4.7968 5.1593 5.1657 5.2834 5.2874 5.6426 5.6446 5.8803 5.8829 5.9197 5.9214 10.1798 10.1828 10.9803 10.9829 13.7314 13.8220 13.9254 13.9462 14.3043 14.3392 14.4460 14.4515 k = 0.3409 0.5642 0.4748 ( 3768 PWs) bands (ev): -30.8400 -30.8400 -13.2512 -13.2501 -12.9323 -12.9246 -12.5378 -12.5179 -12.2952 -12.2607 -12.1981 -12.1459 -11.0496 -11.0466 -10.5976 -10.5392 -10.4287 -10.3776 -9.9925 -9.9919 -2.5762 -2.5729 -2.3800 -2.3766 0.5393 0.5441 0.6125 0.6206 1.2249 1.2300 2.3250 2.3549 2.4616 2.4890 2.7905 2.7940 3.1846 3.1890 4.5018 4.5093 4.5864 4.5931 4.6260 4.6279 4.7991 4.8007 5.1657 5.1728 5.2773 5.2819 5.6431 5.6450 5.8889 5.8933 5.9110 5.9145 10.1799 10.1828 10.9793 10.9819 13.7329 13.8301 13.9098 13.9368 14.3190 14.3603 14.4237 14.4345 k = 0.3333 0.5774 0.4748 ( 3780 PWs) bands (ev): -30.8400 -30.8400 -13.2470 -13.2466 -12.9342 -12.9271 -12.5393 -12.5196 -12.2956 -12.2598 -12.2007 -12.1472 -11.0492 -11.0462 -10.5967 -10.5380 -10.4285 -10.3770 -9.9933 -9.9928 -2.5606 -2.5567 -2.3958 -2.3918 0.5572 0.5690 0.5890 0.6041 1.2223 1.2274 2.3328 2.3657 2.4590 2.4891 2.7860 2.7871 3.1815 3.1860 4.5040 4.5117 4.5927 4.6012 4.6173 4.6186 4.8005 4.8021 5.1678 5.1752 5.2752 5.2801 5.6432 5.6451 5.8923 5.9004 5.9044 5.9115 10.1799 10.1828 10.9790 10.9816 13.7337 13.8344 13.9029 13.9332 14.3249 14.3721 14.4114 14.4277 k = 0.3333 0.5774 0.4748 ( 3780 PWs) bands (ev): -30.8400 -30.8400 -13.2470 -13.2466 -12.9342 -12.9271 -12.5393 -12.5196 -12.2956 -12.2598 -12.2007 -12.1472 -11.0492 -11.0462 -10.5967 -10.5380 -10.4285 -10.3770 -9.9933 -9.9928 -2.5606 -2.5567 -2.3958 -2.3918 0.5572 0.5690 0.5890 0.6041 1.2223 1.2274 2.3328 2.3657 2.4590 2.4891 2.7860 2.7871 3.1815 3.1860 4.5040 4.5117 4.5927 4.6012 4.6173 4.6186 4.8005 4.8021 5.1678 5.1752 5.2752 5.2801 5.6432 5.6451 5.8923 5.9004 5.9044 5.9115 10.1799 10.1828 10.9790 10.9816 13.7337 13.8344 13.9029 13.9332 14.3249 14.3721 14.4114 14.4277 k = 0.3258 0.5642 0.4748 ( 3776 PWs) bands (ev): -30.8400 -30.8400 -13.2517 -13.2505 -12.9318 -12.9240 -12.5379 -12.5180 -12.2953 -12.2607 -12.1983 -12.1460 -11.0495 -11.0466 -10.5977 -10.5394 -10.4285 -10.3774 -9.9926 -9.9920 -2.5769 -2.5736 -2.3793 -2.3759 0.5407 0.5458 0.6106 0.6189 1.2251 1.2302 2.3240 2.3532 2.4643 2.4910 2.7893 2.7930 3.1849 3.1892 4.5017 4.5091 4.5873 4.5941 4.6253 4.6271 4.7990 4.8007 5.1658 5.1730 5.2771 5.2817 5.6431 5.6450 5.8897 5.8946 5.9098 5.9137 10.1799 10.1828 10.9793 10.9819 13.7325 13.8292 13.9106 13.9373 14.3190 14.3607 14.4230 14.4345 k = 0.3182 0.5511 0.4748 ( 3780 PWs) bands (ev): -30.8400 -30.8400 -13.2654 -13.2631 -12.9238 -12.9143 -12.5342 -12.5132 -12.2942 -12.2631 -12.1915 -12.1424 -11.0506 -11.0476 -10.6009 -10.5442 -10.4278 -10.3785 -9.9905 -9.9896 -2.6158 -2.6135 -2.3407 -2.3383 0.5123 0.5152 0.6357 0.6417 1.2340 1.2390 2.2986 2.3208 2.4772 2.4976 2.7990 2.8059 3.1953 3.1995 4.4947 4.5014 4.5801 4.5856 4.6388 4.6412 4.7945 4.7963 5.1605 5.1670 5.2818 5.2858 5.6427 5.6446 5.8850 5.8882 5.9149 5.9172 10.1798 10.1827 10.9804 10.9830 13.7285 13.8168 13.9301 13.9497 14.3047 14.3411 14.4424 14.4518 k = 0.3106 0.5380 0.4748 ( 3774 PWs) bands (ev): -30.8400 -30.8400 -13.2872 -13.2843 -12.9099 -12.8982 -12.5284 -12.5057 -12.2925 -12.2659 -12.1815 -12.1367 -11.0523 -11.0492 -10.6066 -10.5529 -10.4258 -10.3795 -9.9872 -9.9861 -2.6649 -2.6633 -2.2930 -2.2912 0.4821 0.4844 0.6567 0.6619 1.2491 1.2540 2.2614 2.2778 2.4914 2.5074 2.8123 2.8219 3.2131 3.2171 4.4834 4.4890 4.5761 4.5805 4.6528 4.6556 4.7867 4.7889 5.1532 5.1590 5.2878 5.2912 5.6421 5.6441 5.8808 5.8830 5.9182 5.9196 10.1796 10.1825 10.9823 10.9849 13.7220 13.8022 13.9556 13.9701 14.2873 14.3217 14.4622 14.4732 k = 0.3030 0.5249 0.4748 ( 3766 PWs) bands (ev): -30.8400 -30.8400 -13.3158 -13.3126 -12.8909 -12.8769 -12.5211 -12.4962 -12.2899 -12.2681 -12.1690 -12.1288 -11.0545 -11.0513 -10.6151 -10.5653 -10.4223 -10.3800 -9.9830 -9.9816 -2.7192 -2.7179 -2.2414 -2.2400 0.4517 0.4537 0.6731 0.6779 1.2703 1.2751 2.2169 2.2294 2.5042 2.5179 2.8270 2.8387 3.2385 3.2422 4.4688 4.4732 4.5752 4.5786 4.6662 4.6693 4.7758 4.7786 5.1451 5.1501 5.2939 5.2966 5.6415 5.6434 5.8777 5.8793 5.9194 5.9203 10.1794 10.1823 10.9851 10.9876 13.7140 13.7877 13.9839 13.9965 14.2700 14.3051 14.4810 14.4937 k = 0.2955 0.5117 0.4748 ( 3770 PWs) bands (ev): -30.8400 -30.8400 -13.3497 -13.3463 -12.8680 -12.8518 -12.5127 -12.4850 -12.2863 -12.2694 -12.1546 -12.1188 -11.0572 -11.0538 -10.6265 -10.5813 -10.4174 -10.3797 -9.9781 -9.9765 -2.7765 -2.7755 -2.1880 -2.1868 0.4213 0.4232 0.6851 0.6896 1.2969 1.3016 2.1684 2.1782 2.5152 2.5281 2.8413 2.8546 3.2712 3.2747 4.4520 4.4554 4.5765 4.5793 4.6778 4.6817 4.7619 4.7659 5.1371 5.1415 5.2992 5.3013 5.6407 5.6426 5.8761 5.8771 5.9184 5.9192 10.1791 10.1819 10.9886 10.9911 13.7053 13.7742 14.0132 14.0253 14.2555 14.2933 14.4967 14.5078 k = 0.2879 0.4986 0.4748 ( 3774 PWs) bands (ev): -30.8400 -30.8400 -13.3873 -13.3840 -12.8423 -12.8238 -12.5034 -12.4729 -12.2815 -12.2692 -12.1385 -12.1067 -11.0603 -11.0567 -10.6409 -10.6003 -10.4112 -10.3783 -9.9729 -9.9711 -2.8360 -2.8351 -2.1335 -2.1326 0.3912 0.3929 0.6932 0.6974 1.3280 1.3324 2.1176 2.1255 2.5251 2.5379 2.8540 2.8684 3.3107 3.3139 4.4340 4.4368 4.5793 4.5817 4.6862 4.6918 4.7462 4.7521 5.1299 5.1338 5.3030 5.3047 5.6400 5.6418 5.8760 5.8764 5.9153 5.9161 10.1787 10.1815 10.9930 10.9955 13.6968 13.7622 14.0408 14.0516 14.2471 14.2894 14.5063 14.5129 k = 0.2803 0.4855 0.4748 ( 3774 PWs) bands (ev): -30.8400 -30.8400 -13.4276 -13.4245 -12.8149 -12.7941 -12.4936 -12.4603 -12.2752 -12.2673 -12.1207 -12.0926 -11.0637 -11.0598 -10.6580 -10.6218 -10.4040 -10.3756 -9.9675 -9.9656 -2.8971 -2.8964 -2.0786 -2.0778 0.3613 0.3628 0.6981 0.7021 1.3621 1.3664 2.0656 2.0722 2.5349 2.5477 2.8643 2.8793 3.3562 3.3591 4.4156 4.4180 4.5831 4.5852 4.6875 4.6955 4.7328 4.7413 5.1242 5.1276 5.3051 5.3064 5.6394 5.6412 5.8769 5.8775 5.9100 5.9114 10.1783 10.1810 10.9982 11.0006 13.6890 13.7519 14.0623 14.0703 14.2497 14.2974 14.5108 14.5146 k = 0.2727 0.4724 0.4748 ( 3774 PWs) bands (ev): -30.8401 -30.8401 -13.4698 -13.4669 -12.7865 -12.7634 -12.4835 -12.4477 -12.2670 -12.2634 -12.1014 -12.0764 -11.0675 -11.0633 -10.6774 -10.6454 -10.3960 -10.3718 -9.9623 -9.9602 -2.9597 -2.9591 -2.0235 -2.0228 0.3318 0.3331 0.7006 0.7044 1.3980 1.4020 2.0132 2.0188 2.5456 2.5587 2.8716 2.8871 3.4068 3.4094 4.3973 4.3993 4.5874 4.5894 4.6773 4.6846 4.7304 4.7384 5.1202 5.1232 5.3050 5.3060 5.6390 5.6407 5.8782 5.8803 5.9025 5.9054 10.1778 10.1804 11.0041 11.0065 13.6821 13.7432 14.0727 14.0780 14.2676 14.3200 14.5129 14.5152 k = 0.2652 0.4593 0.4748 ( 3770 PWs) bands (ev): -30.8401 -30.8401 -13.5132 -13.5105 -12.7579 -12.7324 -12.4732 -12.4355 -12.2574 -12.2567 -12.0805 -12.0580 -11.0714 -11.0670 -10.6990 -10.6705 -10.3875 -10.3669 -9.9575 -9.9552 -3.0236 -3.0230 -1.9684 -1.9678 0.3027 0.3038 0.7015 0.7051 1.4341 1.4380 1.9609 1.9657 2.5582 2.5719 2.8755 2.8915 3.4614 3.4638 4.3795 4.3813 4.5913 4.5931 4.6584 4.6637 4.7357 4.7417 5.1182 5.1210 5.3026 5.3033 5.6390 5.6406 5.8784 5.8838 5.8935 5.8996 10.1773 10.1799 11.0108 11.0131 13.6764 13.7362 14.0710 14.0764 14.3005 14.3560 14.5143 14.5156 k = 0.2576 0.4461 0.4748 ( 3774 PWs) bands (ev): -30.8401 -30.8401 -13.5573 -13.5549 -12.7296 -12.7018 -12.4627 -12.4240 -12.2491 -12.2443 -12.0580 -12.0374 -11.0756 -11.0709 -10.7222 -10.6969 -10.3786 -10.3611 -9.9531 -9.9508 -3.0884 -3.0880 -1.9136 -1.9130 0.2740 0.2750 0.7014 0.7047 1.4691 1.4729 1.9090 1.9132 2.5737 2.5883 2.8757 2.8923 3.5191 3.5211 4.3626 4.3644 4.5921 4.5934 4.6386 4.6424 4.7423 4.7470 5.1185 5.1209 5.2977 5.2982 5.6393 5.6409 5.8733 5.8796 5.8913 5.8981 10.1767 10.1793 11.0181 11.0204 13.6718 13.7307 14.0606 14.0685 14.3441 14.4014 14.5158 14.5164 k = 0.2500 0.4330 0.4748 ( 3782 PWs) bands (ev): -30.8401 -30.8401 -13.6017 -13.5995 -12.7021 -12.6722 -12.4520 -12.4133 -12.2386 -12.2295 -12.0339 -12.0144 -11.0800 -11.0750 -10.7468 -10.7242 -10.3693 -10.3546 -9.9495 -9.9470 -3.1543 -3.1539 -1.8591 -1.8585 0.2458 0.2467 0.7008 0.7039 1.5019 1.5055 1.8578 1.8615 2.5927 2.6087 2.8720 2.8897 3.5788 3.5804 4.3472 4.3489 4.5819 4.5824 4.6281 4.6308 4.7484 4.7523 5.1209 5.1231 5.2902 5.2905 5.6402 5.6417 5.8623 5.8664 5.8970 5.9016 10.1762 10.1787 11.0260 11.0282 13.6683 13.7266 14.0458 14.0565 14.3944 14.4507 14.5163 14.5210 k = 0.2424 0.4199 0.4748 ( 3774 PWs) bands (ev): -30.8401 -30.8401 -13.6462 -13.6442 -12.6758 -12.6440 -12.4411 -12.4034 -12.2260 -12.2123 -12.0080 -11.9890 -11.0847 -11.0794 -10.7723 -10.7521 -10.3598 -10.3475 -9.9466 -9.9441 -3.2210 -3.2206 -1.8051 -1.8046 0.2183 0.2190 0.7002 0.7031 1.5313 1.5348 1.8077 1.8109 2.6155 2.6336 2.8647 2.8842 3.6392 3.6406 4.3340 4.3357 4.5586 4.5594 4.6293 4.6315 4.7536 4.7569 5.1255 5.1276 5.2801 5.2803 5.6417 5.6430 5.8477 5.8507 5.9040 5.9074 10.1758 10.1782 11.0343 11.0365 13.6657 13.7235 14.0290 14.0421 14.4483 14.4904 14.5169 14.5392 k = 0.2348 0.4068 0.4748 ( 3770 PWs) bands (ev): -30.8402 -30.8401 -13.6905 -13.6887 -12.6510 -12.6178 -12.4296 -12.3939 -12.2113 -12.1930 -11.9801 -11.9612 -11.0896 -11.0840 -10.7984 -10.7803 -10.3502 -10.3398 -9.9446 -9.9421 -3.2883 -3.2880 -1.7516 -1.7512 0.1915 0.1920 0.6999 0.7026 1.5564 1.5599 1.7588 1.7617 2.6414 2.6629 2.8540 2.8766 3.6990 3.7001 4.3238 4.3255 4.5311 4.5318 4.6351 4.6373 4.7575 4.7603 5.1323 5.1342 5.2674 5.2675 5.6438 5.6451 5.8306 5.8330 5.9116 5.9144 10.1754 10.1777 11.0430 11.0451 13.6639 13.7214 14.0111 14.0264 14.5017 14.5058 14.5182 14.5809 k = 0.2273 0.3936 0.4748 ( 3776 PWs) bands (ev): -30.8402 -30.8402 -13.7344 -13.7327 -12.6279 -12.5941 -12.4177 -12.3848 -12.1948 -12.1720 -11.9502 -11.9311 -11.0948 -11.0891 -10.8247 -10.8084 -10.3406 -10.3319 -9.9436 -9.9410 -3.3563 -3.3561 -1.6988 -1.6984 0.1655 0.1658 0.7000 0.7026 1.5765 1.5800 1.7118 1.7143 2.6681 2.6948 2.8420 2.8695 3.7566 3.7575 4.3179 4.3196 4.5029 4.5036 4.6426 4.6446 4.7600 4.7625 5.1412 5.1430 5.2520 5.2521 5.6466 5.6479 5.8114 5.8135 5.9197 5.9221 10.1751 10.1774 11.0520 11.0540 13.6626 13.7198 13.9926 14.0099 14.5084 14.5184 14.5580 14.6027 k = 0.2197 0.3805 0.4748 ( 3776 PWs) bands (ev): -30.8402 -30.8402 -13.7777 -13.7762 -12.6067 -12.5731 -12.4050 -12.3758 -12.1765 -12.1496 -11.9181 -11.8986 -11.1006 -11.0947 -10.8508 -10.8362 -10.3309 -10.3237 -9.9437 -9.9411 -3.4248 -3.4246 -1.6468 -1.6464 0.1404 0.1406 0.7010 0.7033 1.5895 1.5934 1.6683 1.6705 2.6902 2.7231 2.8349 2.8683 3.8099 3.8106 4.3180 4.3196 4.4756 4.4763 4.6506 4.6526 4.7612 4.7634 5.1521 5.1538 5.2342 5.2343 5.6503 5.6515 5.7904 5.7923 5.9281 5.9303 10.1748 10.1771 11.0611 11.0630 13.6617 13.7185 13.9739 13.9931 14.5113 14.5201 14.5988 14.6093 k = 0.2121 0.3674 0.4748 ( 3776 PWs) bands (ev): -30.8402 -30.8402 -13.8203 -13.8189 -12.5876 -12.5548 -12.3918 -12.3666 -12.1566 -12.1263 -11.8836 -11.8639 -11.1070 -11.1010 -10.8762 -10.8632 -10.3214 -10.3154 -9.9448 -9.9423 -3.4937 -3.4935 -1.5956 -1.5953 0.1163 0.1164 0.7028 0.7050 1.5875 1.5921 1.6365 1.6388 2.6991 2.7317 2.8483 2.8812 3.8565 3.8572 4.3261 4.3275 4.4501 4.4509 4.6588 4.6607 4.7609 4.7628 5.1649 5.1665 5.2140 5.2142 5.6547 5.6559 5.7678 5.7695 5.9367 5.9386 10.1746 10.1768 11.0702 11.0721 13.6608 13.7173 13.9553 13.9762 14.5141 14.5222 14.6036 14.6246 k = 0.2045 0.3543 0.4748 ( 3772 PWs) bands (ev): -30.8403 -30.8403 -13.8620 -13.8608 -12.5703 -12.5391 -12.3782 -12.3573 -12.1353 -12.1023 -11.8468 -11.8270 -11.1144 -11.1085 -10.9003 -10.8890 -10.3119 -10.3070 -9.9471 -9.9446 -3.5629 -3.5627 -1.5453 -1.5450 0.0933 0.0935 0.7056 0.7076 1.5590 1.5627 1.6292 1.6314 2.6896 2.7150 2.8875 2.9130 3.8939 3.8948 4.3439 4.3451 4.4272 4.4282 4.6669 4.6687 4.7592 4.7608 5.1793 5.1810 5.1918 5.1924 5.6598 5.6611 5.7439 5.7455 5.9452 5.9470 10.1745 10.1766 11.0793 11.0811 13.6598 13.7158 13.9368 13.9592 14.5173 14.5249 14.5999 14.6277 k = 0.1970 0.3412 0.4748 ( 3760 PWs) bands (ev): -30.8403 -30.8403 -13.9028 -13.9017 -12.5548 -12.5257 -12.3644 -12.3476 -12.1129 -12.0780 -11.8078 -11.7882 -11.1231 -11.1175 -10.9225 -10.9129 -10.3027 -10.2987 -9.9506 -9.9480 -3.6321 -3.6320 -1.4960 -1.4957 0.0715 0.0719 0.7094 0.7114 1.5201 1.5231 1.6300 1.6322 2.6652 2.6839 2.9409 2.9597 3.9208 3.9219 4.3709 4.3717 4.4095 4.4105 4.6748 4.6764 4.7560 4.7573 5.1670 5.1673 5.1965 5.1978 5.6649 5.6663 5.7195 5.7211 5.9537 5.9553 10.1743 10.1764 11.0882 11.0899 13.6585 13.7139 13.9185 13.9423 14.5211 14.5281 14.5925 14.6227 k = 0.1894 0.3280 0.4748 ( 3760 PWs) bands (ev): -30.8403 -30.8403 -13.9426 -13.9416 -12.5411 -12.5141 -12.3508 -12.3377 -12.0896 -12.0536 -11.7667 -11.7474 -11.1338 -11.1284 -10.9422 -10.9343 -10.2937 -10.2905 -9.9553 -9.9527 -3.7014 -3.7013 -1.4477 -1.4474 0.0512 0.0516 0.7144 0.7162 1.4801 1.4827 1.6301 1.6322 2.6306 2.6449 3.0016 3.0160 3.9373 3.9386 4.3810 4.3819 4.4225 4.4231 4.6822 4.6837 4.7513 4.7523 5.1409 5.1411 5.2146 5.2158 5.6662 5.6679 5.6984 5.7001 5.9619 5.9634 10.1741 10.1761 11.0969 11.0986 13.6567 13.7114 13.9005 13.9255 14.5254 14.5319 14.5809 14.6112 k = 0.1818 0.3149 0.4748 ( 3760 PWs) bands (ev): -30.8404 -30.8404 -13.9813 -13.9803 -12.5287 -12.5041 -12.3375 -12.3276 -12.0658 -12.0294 -11.7237 -11.7050 -11.1467 -11.1418 -10.9588 -10.9527 -10.2851 -10.2825 -9.9612 -9.9586 -3.7705 -3.7704 -1.4005 -1.4002 0.0323 0.0329 0.7205 0.7222 1.4408 1.4432 1.6282 1.6302 2.5890 2.6004 3.0667 3.0783 3.9450 3.9464 4.3688 4.3701 4.4697 4.4703 4.6892 4.6905 4.7453 4.7460 5.1131 5.1134 5.2342 5.2354 5.6514 5.6528 5.6940 5.6952 5.9698 5.9712 10.1737 10.1757 11.1053 11.1068 13.6544 13.7081 13.8829 13.9088 14.5301 14.5359 14.5645 14.5933 k = 0.1742 0.3018 0.4748 ( 3768 PWs) bands (ev): -30.8404 -30.8404 -14.0188 -14.0179 -12.5176 -12.4953 -12.3247 -12.3173 -12.0416 -12.0056 -11.6790 -11.6611 -11.1623 -11.1578 -10.9718 -10.9674 -10.2769 -10.2747 -9.9682 -9.9656 -3.8393 -3.8392 -1.3545 -1.3542 0.0150 0.0157 0.7276 0.7292 1.4027 1.4050 1.6244 1.6264 2.5421 2.5515 3.1346 3.1443 3.9462 3.9476 4.3573 4.3588 4.5262 4.5268 4.6956 4.6967 4.7380 4.7383 5.0840 5.0843 5.2553 5.2563 5.6247 5.6257 5.7015 5.7025 5.9773 5.9786 10.1732 10.1751 11.1133 11.1147 13.6515 13.7039 13.8657 13.8923 14.5337 14.5393 14.5439 14.5694 k = 0.1667 0.2887 0.4748 ( 3758 PWs) bands (ev): -30.8404 -30.8404 -14.0550 -14.0542 -12.5075 -12.4873 -12.3126 -12.3069 -12.0174 -11.9822 -11.6329 -11.6159 -11.1806 -11.1763 -10.9811 -10.9782 -10.2691 -10.2673 -9.9764 -9.9738 -3.9076 -3.9075 -1.3096 -1.3094 -0.0007 0.0002 0.7358 0.7374 1.3660 1.3682 1.6191 1.6210 2.4911 2.4990 3.2040 3.2124 3.9429 3.9443 4.3484 4.3498 4.5874 4.5880 4.7012 4.7023 4.7299 4.7302 5.0539 5.0541 5.2775 5.2785 5.5944 5.5954 5.7124 5.7133 5.9843 5.9856 10.1724 10.1742 11.1208 11.1222 13.6479 13.6989 13.8491 13.8762 14.5119 14.5296 14.5426 14.5517 k = 0.1591 0.2756 0.4748 ( 3754 PWs) bands (ev): -30.8405 -30.8405 -14.0900 -14.0892 -12.4983 -12.4800 -12.3011 -12.2966 -11.9935 -11.9593 -11.5856 -11.5697 -11.2014 -11.1969 -10.9872 -10.9852 -10.2618 -10.2602 -9.9857 -9.9831 -3.9752 -3.9751 -1.2661 -1.2659 -0.0146 -0.0136 0.7451 0.7466 1.3309 1.3329 1.6126 1.6144 2.4366 2.4434 3.2740 3.2814 3.9372 3.9384 4.3420 4.3435 4.6490 4.6499 4.7056 4.7075 4.7226 4.7238 5.0230 5.0233 5.3008 5.3017 5.5626 5.5634 5.7252 5.7261 5.9908 5.9920 10.1712 10.1730 11.1278 11.1291 13.6438 13.6932 13.8331 13.8603 14.4763 14.4923 14.5484 14.5544 k = 0.1515 0.2624 0.4748 ( 3750 PWs) bands (ev): -30.8405 -30.8405 -14.1235 -14.1229 -12.4896 -12.4732 -12.2902 -12.2863 -11.9699 -11.9372 -11.5375 -11.5229 -11.2240 -11.2192 -10.9906 -10.9885 -10.2552 -10.2536 -9.9961 -9.9935 -4.0420 -4.0419 -1.2239 -1.2237 -0.0267 -0.0256 0.7553 0.7568 1.2974 1.2992 1.6051 1.6069 2.3795 2.3854 3.3433 3.3500 3.9305 3.9315 4.3382 4.3397 4.6879 4.6903 4.7107 4.7137 4.7367 4.7373 4.9921 4.9925 5.3249 5.3258 5.5295 5.5303 5.7394 5.7404 5.9967 5.9979 10.1697 10.1714 11.1343 11.1354 13.6392 13.6867 13.8178 13.8449 14.4338 14.4459 14.5546 14.5596 k = 0.1439 0.2493 0.4748 ( 3746 PWs) bands (ev): -30.8405 -30.8405 -14.1557 -14.1551 -12.4815 -12.4667 -12.2799 -12.2763 -11.9469 -11.9159 -11.4889 -11.4757 -11.2480 -11.2425 -10.9914 -10.9887 -10.2491 -10.2475 -10.0075 -10.0050 -4.1077 -4.1076 -1.1831 -1.1829 -0.0369 -0.0358 0.7663 0.7678 1.2654 1.2672 1.5970 1.5987 2.3204 2.3256 3.4106 3.4168 3.9244 3.9251 4.3368 4.3382 4.6842 4.6862 4.7149 4.7174 4.7936 4.7939 4.9625 4.9629 5.3497 5.3505 5.4955 5.4962 5.7550 5.7560 6.0019 6.0031 10.1677 10.1694 11.1401 11.1412 13.6341 13.6795 13.8032 13.8299 14.3851 14.3936 14.5609 14.5652 k = 0.1364 0.2362 0.4748 ( 3742 PWs) bands (ev): -30.8406 -30.8406 -14.1865 -14.1859 -12.4739 -12.4604 -12.2701 -12.2666 -11.9248 -11.8955 -11.4401 -11.4289 -11.2728 -11.2659 -10.9898 -10.9865 -10.2437 -10.2419 -10.0200 -10.0173 -4.1721 -4.1720 -1.1438 -1.1437 -0.0453 -0.0440 0.7781 0.7797 1.2352 1.2368 1.5885 1.5901 2.2598 2.2644 3.4742 3.4800 3.9207 3.9211 4.3374 4.3389 4.6724 4.6739 4.7181 4.7200 4.8503 4.8505 4.9402 4.9411 5.3749 5.3757 5.4608 5.4613 5.7717 5.7727 6.0064 6.0075 10.1651 10.1668 11.1454 11.1464 13.6287 13.6719 13.7894 13.8154 14.3311 14.3368 14.5670 14.5709 k = 0.1288 0.2231 0.4748 ( 3742 PWs) bands (ev): -30.8406 -30.8406 -14.2158 -14.2153 -12.4665 -12.4544 -12.2607 -12.2573 -11.9035 -11.8761 -11.3920 -11.3837 -11.2979 -11.2874 -10.9860 -10.9822 -10.2390 -10.2370 -10.0333 -10.0306 -4.2350 -4.2349 -1.1061 -1.1059 -0.0518 -0.0505 0.7906 0.7922 1.2066 1.2081 1.5798 1.5813 2.1983 2.2024 3.5318 3.5373 3.9214 3.9217 4.3400 4.3414 4.6586 4.6598 4.7206 4.7222 4.8679 4.8685 4.9578 4.9590 5.3990 5.4008 5.4262 5.4269 5.7893 5.7903 6.0102 6.0113 10.1621 10.1636 11.1500 11.1509 13.6229 13.6638 13.7765 13.8016 14.2728 14.2776 14.5731 14.5764 k = 0.1212 0.2099 0.4748 ( 3738 PWs) bands (ev): -30.8406 -30.8406 -14.2435 -14.2431 -12.4595 -12.4485 -12.2516 -12.2484 -11.8833 -11.8577 -11.3545 -11.3404 -11.3230 -11.2970 -10.9803 -10.9761 -10.2350 -10.2329 -10.0474 -10.0447 -4.2962 -4.2960 -1.0699 -1.0698 -0.0564 -0.0551 0.8037 0.8053 1.1796 1.1811 1.5711 1.5725 2.1365 2.1402 3.5806 3.5859 3.9294 3.9300 4.3442 4.3455 4.6438 4.6448 4.7224 4.7237 4.8461 4.8467 5.0149 5.0160 5.3867 5.3885 5.4280 5.4289 5.8077 5.8087 6.0133 6.0143 10.1584 10.1599 11.1539 11.1548 13.6170 13.6555 13.7644 13.7885 14.2115 14.2171 14.5788 14.5818 k = 0.1136 0.1968 0.4748 ( 3738 PWs) bands (ev): -30.8407 -30.8407 -14.2698 -14.2693 -12.4527 -12.4427 -12.2428 -12.2399 -11.8641 -11.8405 -11.3573 -11.3480 -11.2932 -11.2711 -10.9728 -10.9683 -10.2317 -10.2294 -10.0622 -10.0595 -4.3554 -4.3552 -1.0355 -1.0354 -0.0593 -0.0579 0.8171 0.8188 1.1544 1.1558 1.5625 1.5638 2.0749 2.0783 3.6176 3.6225 3.9478 3.9485 4.3498 4.3511 4.6285 4.6294 4.7236 4.7247 4.8170 4.8176 5.0787 5.0797 5.3509 5.3522 5.4536 5.4540 5.8265 5.8275 6.0155 6.0165 10.1542 10.1556 11.1573 11.1581 13.6108 13.6469 13.7533 13.7761 14.1490 14.1561 14.5843 14.5869 k = 0.1061 0.1837 0.4748 ( 3734 PWs) bands (ev): -30.8407 -30.8407 -14.2944 -14.2940 -12.4461 -12.4371 -12.2344 -12.2317 -11.8462 -11.8244 -11.3771 -11.3725 -11.2463 -11.2293 -10.9639 -10.9591 -10.2293 -10.2268 -10.0777 -10.0749 -4.4123 -4.4122 -1.0029 -1.0028 -0.0604 -0.0590 0.8307 0.8325 1.1309 1.1322 1.5541 1.5553 2.0140 2.0170 3.6414 3.6459 3.9779 3.9787 4.3566 4.3578 4.6131 4.6138 4.7241 4.7250 4.7867 4.7876 5.1422 5.1433 5.3143 5.3157 5.4793 5.4796 5.8455 5.8465 6.0170 6.0180 10.1494 10.1508 11.1601 11.1608 13.6045 13.6382 13.7432 13.7645 14.0868 14.0955 14.5895 14.5917 k = 0.0985 0.1706 0.4748 ( 3732 PWs) bands (ev): -30.8407 -30.8407 -14.3175 -14.3171 -12.4398 -12.4316 -12.2264 -12.2240 -11.8294 -11.8095 -11.3993 -11.3963 -11.2004 -11.1856 -10.9536 -10.9487 -10.2276 -10.2250 -10.0936 -10.0908 -4.4668 -4.4666 -0.9721 -0.9720 -0.0599 -0.0585 0.8444 0.8463 1.1091 1.1104 1.5461 1.5472 1.9542 1.9570 3.6533 3.6573 4.0185 4.0192 4.3642 4.3654 4.5978 4.5985 4.7236 4.7248 4.7567 4.7583 5.2014 5.2029 5.2801 5.2819 5.5048 5.5050 5.8643 5.8654 6.0177 6.0186 10.1441 10.1455 11.1622 11.1629 13.5979 13.6294 13.7339 13.7537 14.0260 14.0363 14.5943 14.5963 k = 0.0909 0.1575 0.4748 ( 3728 PWs) bands (ev): -30.8407 -30.8407 -14.3389 -14.3386 -12.4337 -12.4264 -12.2187 -12.2166 -11.8139 -11.7957 -11.4216 -11.4193 -11.1561 -11.1426 -10.9420 -10.9371 -10.2267 -10.2239 -10.1099 -10.1070 -4.5185 -4.5184 -0.9432 -0.9431 -0.0580 -0.0565 0.8579 0.8599 1.0891 1.0903 1.5384 1.5394 1.8961 1.8987 3.6563 3.6597 4.0664 4.0671 4.3726 4.3737 4.5830 4.5836 4.7191 4.7239 4.7278 4.7332 5.2231 5.2243 5.2816 5.2832 5.5297 5.5299 5.8828 5.8838 6.0176 6.0185 10.1385 10.1397 11.1639 11.1644 13.5908 13.6203 13.7257 13.7439 13.9677 13.9794 14.5987 14.6004 k = 0.0833 0.1443 0.4748 ( 3728 PWs) bands (ev): -30.8408 -30.8408 -14.3587 -14.3584 -12.4279 -12.4213 -12.2113 -12.2096 -11.7997 -11.7833 -11.4433 -11.4413 -11.1136 -11.1012 -10.9294 -10.9245 -10.2265 -10.2237 -10.1263 -10.1234 -4.5673 -4.5672 -0.9163 -0.9162 -0.0547 -0.0533 0.8711 0.8732 1.0709 1.0720 1.5311 1.5321 1.8403 1.8426 3.6535 3.6564 4.1184 4.1191 4.3815 4.3825 4.5689 4.5695 4.6979 4.6994 4.7232 4.7255 5.1915 5.1918 5.3345 5.3351 5.5540 5.5542 5.9004 5.9014 6.0167 6.0176 10.1325 10.1336 11.1650 11.1655 13.5832 13.6107 13.7183 13.7350 13.9128 13.9258 14.6027 14.6043 k = 0.0758 0.1312 0.4748 ( 3730 PWs) bands (ev): -30.8408 -30.8408 -14.3768 -14.3765 -12.4225 -12.4166 -12.2044 -12.2030 -11.7867 -11.7720 -11.4639 -11.4623 -11.0733 -11.0618 -10.9159 -10.9111 -10.2271 -10.2242 -10.1426 -10.1397 -4.6128 -4.6127 -0.8915 -0.8914 -0.0502 -0.0489 0.8837 0.8860 1.0546 1.0556 1.5243 1.5252 1.7871 1.7893 3.6471 3.6496 4.1723 4.1729 4.3906 4.3915 4.5560 4.5566 4.6722 4.6728 4.7218 4.7233 5.1532 5.1535 5.3900 5.3905 5.5775 5.5777 5.9169 5.9179 6.0152 6.0160 10.1263 10.1274 11.1658 11.1662 13.5747 13.6004 13.7119 13.7271 13.8622 13.8763 14.6064 14.6077 k = 0.0682 0.1181 0.4748 ( 3730 PWs) bands (ev): -30.8408 -30.8408 -14.3932 -14.3930 -12.4173 -12.4121 -12.1978 -12.1968 -11.7749 -11.7619 -11.4833 -11.4819 -11.0357 -11.0251 -10.9016 -10.8971 -10.2284 -10.2255 -10.1588 -10.1558 -4.6549 -4.6547 -0.8688 -0.8688 -0.0449 -0.0436 0.8955 0.8978 1.0402 1.0411 1.5180 1.5188 1.7371 1.7391 3.6388 3.6409 4.2262 4.2268 4.3997 4.4006 4.5446 4.5452 4.6476 4.6479 4.7201 4.7212 5.1135 5.1138 5.4433 5.4438 5.6000 5.6002 5.9320 5.9330 6.0131 6.0139 10.1200 10.1210 11.1662 11.1666 13.5650 13.5890 13.7063 13.7201 13.8171 13.8319 14.6097 14.6109 k = 0.0606 0.1050 0.4748 ( 3722 PWs) bands (ev): -30.8408 -30.8408 -14.4080 -14.4078 -12.4126 -12.4079 -12.1917 -12.1909 -11.7644 -11.7530 -11.5013 -11.5001 -11.0011 -10.9915 -10.8866 -10.8825 -10.2302 -10.2274 -10.1744 -10.1715 -4.6932 -4.6931 -0.8483 -0.8483 -0.0390 -0.0378 0.9062 0.9086 1.0278 1.0286 1.5121 1.5128 1.6908 1.6926 3.6297 3.6315 4.2790 4.2795 4.4087 4.4095 4.5354 4.5360 4.6248 4.6249 4.7182 4.7191 5.0730 5.0733 5.4934 5.4938 5.6213 5.6215 5.9454 5.9463 6.0104 6.0112 10.1138 10.1147 11.1663 11.1666 13.5539 13.5760 13.7014 13.7140 13.7784 13.7934 14.6127 14.6137 k = 0.0530 0.0919 0.4748 ( 3722 PWs) bands (ev): -30.8409 -30.8409 -14.4210 -14.4209 -12.4082 -12.4042 -12.1862 -12.1856 -11.7551 -11.7453 -11.5177 -11.5166 -10.9702 -10.9616 -10.8712 -10.8677 -10.2325 -10.2297 -10.1892 -10.1864 -4.7276 -4.7275 -0.8301 -0.8301 -0.0327 -0.0315 0.9156 0.9178 1.0176 1.0183 1.5066 1.5072 1.6489 1.6505 3.6204 3.6219 4.3290 4.3295 4.4172 4.4180 4.5293 4.5300 4.6040 4.6041 4.7161 4.7169 5.0319 5.0322 5.5396 5.5400 5.6413 5.6414 5.9568 5.9577 6.0075 6.0082 10.1079 10.1087 11.1661 11.1665 13.5414 13.5614 13.6970 13.7086 13.7469 13.7612 14.6153 14.6161 k = 0.0455 0.0787 0.4748 ( 3722 PWs) bands (ev): -30.8409 -30.8409 -14.4324 -14.4322 -12.4043 -12.4009 -12.1812 -12.1808 -11.7470 -11.7387 -11.5324 -11.5315 -10.9432 -10.9358 -10.8556 -10.8528 -10.2351 -10.2325 -10.2030 -10.2003 -4.7579 -4.7578 -0.8142 -0.8142 -0.0263 -0.0253 0.9232 0.9254 1.0096 1.0102 1.5013 1.5019 1.6118 1.6132 3.6115 3.6128 4.3741 4.3744 4.4252 4.4261 4.5285 4.5291 4.5857 4.5858 4.7140 4.7146 4.9903 4.9906 5.5813 5.5817 5.6597 5.6598 5.9660 5.9668 6.0045 6.0052 10.1023 10.1030 11.1659 11.1662 13.5278 13.5452 13.6925 13.7036 13.7233 13.7358 14.6174 14.6182 k = 0.0379 0.0656 0.4748 ( 3718 PWs) bands (ev): -30.8409 -30.8409 -14.4420 -14.4419 -12.4009 -12.3980 -12.1768 -12.1766 -11.7400 -11.7331 -11.5452 -11.5444 -10.9204 -10.9144 -10.8403 -10.8384 -10.2379 -10.2354 -10.2153 -10.2128 -4.7839 -4.7838 -0.8006 -0.8006 -0.0202 -0.0193 0.9290 0.9309 1.0040 1.0045 1.4960 1.4966 1.5804 1.5815 3.6034 3.6045 4.4097 4.4104 4.4323 4.4336 4.5359 4.5364 4.5707 4.5709 4.7119 4.7125 4.9481 4.9484 5.6179 5.6183 5.6765 5.6766 5.9728 5.9735 6.0017 6.0023 10.0973 10.0979 11.1655 11.1658 13.5139 13.5283 13.6869 13.6972 13.7088 13.7176 14.6193 14.6199 k = 0.0303 0.0525 0.4748 ( 3712 PWs) bands (ev): -30.8409 -30.8409 -14.4498 -14.4497 -12.3980 -12.3957 -12.1731 -12.1730 -11.7342 -11.7287 -11.5559 -11.5553 -10.9020 -10.8973 -10.8260 -10.8249 -10.2405 -10.2384 -10.2258 -10.2237 -4.8053 -4.8053 -0.7895 -0.7895 -0.0147 -0.0140 0.9328 0.9344 1.0005 1.0009 1.4903 1.4910 1.5554 1.5561 3.5964 3.5973 4.4314 4.4331 4.4388 4.4408 4.5465 4.5468 4.5684 4.5690 4.7100 4.7104 4.9055 4.9057 5.6484 5.6487 5.6915 5.6916 5.9772 5.9778 5.9996 6.0000 10.0930 10.0935 11.1652 11.1654 13.5008 13.5120 13.6800 13.6883 13.7028 13.7066 14.6209 14.6213 k = 0.0227 0.0394 0.4748 ( 3712 PWs) bands (ev): -30.8409 -30.8409 -14.4560 -14.4559 -12.3957 -12.3939 -12.1701 -12.1701 -11.7295 -11.7254 -11.5645 -11.5640 -10.8878 -10.8845 -10.8137 -10.8132 -10.2430 -10.2413 -10.2341 -10.2325 -4.8222 -4.8221 -0.7808 -0.7808 -0.0101 -0.0095 0.9350 0.9363 0.9989 0.9990 1.4841 1.4848 1.5373 1.5376 3.5908 3.5914 4.4409 4.4420 4.4459 4.4472 4.5407 4.5408 4.5975 4.5978 4.7084 4.7087 4.8624 4.8626 5.6719 5.6722 5.7050 5.7050 5.9793 5.9797 5.9984 5.9987 10.0895 10.0899 11.1648 11.1650 13.4895 13.4977 13.6736 13.6798 13.6999 13.7012 14.6221 14.6224 k = 0.0152 0.0262 0.4748 ( 3716 PWs) bands (ev): -30.8409 -30.8409 -14.4603 -14.4603 -12.3939 -12.3927 -12.1680 -12.1680 -11.7259 -11.7232 -11.5706 -11.5703 -10.8778 -10.8756 -10.8042 -10.8041 -10.2452 -10.2442 -10.2397 -10.2389 -4.8343 -4.8343 -0.7746 -0.7745 -0.0065 -0.0061 0.9361 0.9369 0.9983 0.9984 1.4780 1.4786 1.5259 1.5260 3.5867 3.5871 4.4452 4.4456 4.4505 4.4509 4.5336 4.5336 4.6369 4.6372 4.7071 4.7074 4.8193 4.8195 5.6879 5.6880 5.7164 5.7164 5.9798 5.9799 5.9980 5.9981 10.0870 10.0872 11.1646 11.1647 13.4811 13.4864 13.6691 13.6732 13.6983 13.6986 14.6229 14.6231 k = 0.0076 0.0131 0.4748 ( 3716 PWs) bands (ev): -30.8409 -30.8409 -14.4630 -14.4629 -12.3927 -12.3921 -12.1667 -12.1667 -11.7235 -11.7222 -11.5744 -11.5742 -10.8716 -10.8705 -10.7983 -10.7983 -10.2471 -10.2467 -10.2424 -10.2423 -4.8416 -4.8416 -0.7708 -0.7708 -0.0042 -0.0040 0.9366 0.9370 0.9983 0.9983 1.4734 1.4738 1.5199 1.5199 3.5842 3.5844 4.4473 4.4474 4.4526 4.4526 4.5290 4.5290 4.6781 4.6783 4.7064 4.7065 4.7772 4.7774 5.6967 5.6968 5.7244 5.7244 5.9796 5.9796 5.9980 5.9980 10.0854 10.0856 11.1644 11.1645 13.4762 13.4789 13.6669 13.6689 13.6974 13.6975 14.6234 14.6235 k = 0.0000 0.0000 0.4748 ( 3716 PWs) bands (ev): -30.8409 -30.8409 -14.4638 -14.4638 -12.3921 -12.3921 -12.1662 -12.1662 -11.7223 -11.7223 -11.5756 -11.5756 -10.8692 -10.8692 -10.7963 -10.7963 -10.2478 -10.2478 -10.2432 -10.2432 -4.8440 -4.8440 -0.7696 -0.7696 -0.0034 -0.0034 0.9368 0.9368 0.9983 0.9983 1.4718 1.4718 1.5181 1.5181 3.5834 3.5834 4.4479 4.4479 4.4532 4.4532 4.5274 4.5274 4.7061 4.7061 4.7062 4.7062 4.7491 4.7491 5.6995 5.6995 5.7273 5.7273 5.9794 5.9794 5.9980 5.9980 10.0850 10.0850 11.1644 11.1644 13.4754 13.4754 13.6668 13.6668 13.6971 13.6971 14.6237 14.6237 k = 0.5000 0.2887 0.4748 ( 3748 PWs) bands (ev): -30.8401 -30.8401 -13.5245 -13.5245 -12.9555 -12.9555 -12.4515 -12.4515 -12.1907 -12.1907 -11.5485 -11.5485 -11.3810 -11.3810 -10.6730 -10.6730 -10.5152 -10.5152 -9.8632 -9.8632 -3.1795 -3.1795 -1.8219 -1.8219 0.0005 0.0005 1.2617 1.2617 1.6746 1.6746 1.7196 1.7196 1.8387 1.8387 3.6425 3.6425 3.6854 3.6854 4.0621 4.0621 4.3277 4.3277 4.6016 4.6016 4.9244 4.9244 4.9603 4.9603 5.5005 5.5005 5.6099 5.6099 5.6433 5.6433 5.9606 5.9606 10.1820 10.1820 11.0226 11.0226 13.9107 13.9107 14.2751 14.2751 14.3358 14.3358 14.5703 14.5703 k = 0.5000 0.2887 0.4595 ( 3752 PWs) bands (ev): -30.8401 -30.8401 -13.5256 -13.5248 -12.9564 -12.9537 -12.4517 -12.4490 -12.1913 -12.1906 -11.5511 -11.5503 -11.3798 -11.3796 -10.6749 -10.6697 -10.5171 -10.5128 -9.8639 -9.8638 -3.1798 -3.1798 -1.8217 -1.8217 0.0011 0.0012 1.2613 1.2620 1.6726 1.6736 1.7198 1.7205 1.8380 1.8389 3.6410 3.6437 3.6835 3.6865 4.0639 4.0640 4.3260 4.3261 4.6023 4.6026 4.9221 4.9233 4.9610 4.9623 5.5003 5.5009 5.5987 5.6015 5.6519 5.6539 5.9607 5.9607 10.1820 10.1821 11.0222 11.0223 13.9106 13.9131 14.2704 14.2792 14.3320 14.3383 14.5691 14.5717 k = 0.5000 0.2887 0.4442 ( 3752 PWs) bands (ev): -30.8401 -30.8401 -13.5282 -13.5267 -12.9565 -12.9512 -12.4495 -12.4443 -12.1923 -12.1909 -11.5580 -11.5565 -11.3758 -11.3755 -10.6754 -10.6652 -10.5184 -10.5099 -9.8658 -9.8656 -3.1807 -3.1807 -1.8211 -1.8210 0.0029 0.0031 1.2606 1.2621 1.6678 1.6697 1.7209 1.7225 1.8369 1.8388 3.6392 3.6446 3.6809 3.6869 4.0695 4.0697 4.3210 4.3212 4.6047 4.6054 4.9170 4.9190 4.9641 4.9663 5.5000 5.5014 5.5808 5.5846 5.6691 5.6712 5.9610 5.9612 10.1820 10.1822 11.0213 11.0215 13.9128 13.9179 14.2649 14.2825 14.3270 14.3396 14.5682 14.5733 k = 0.5000 0.2887 0.4289 ( 3756 PWs) bands (ev): -30.8401 -30.8401 -13.5322 -13.5300 -12.9556 -12.9479 -12.4452 -12.4374 -12.1936 -12.1915 -11.5688 -11.5667 -11.3694 -11.3689 -10.6751 -10.6600 -10.5187 -10.5062 -9.8689 -9.8686 -3.1823 -3.1822 -1.8201 -1.8200 0.0059 0.0061 1.2598 1.2620 1.6603 1.6629 1.7230 1.7256 1.8354 1.8382 3.6371 3.6452 3.6777 3.6867 4.0786 4.0789 4.3132 4.3134 4.6086 4.6095 4.9101 4.9123 4.9689 4.9715 5.4985 5.5007 5.5631 5.5678 5.6872 5.6893 5.9617 5.9619 10.1821 10.1824 11.0198 11.0202 13.9171 13.9248 14.2588 14.2850 14.3209 14.3397 14.5678 14.5749 k = 0.5000 0.2887 0.4135 ( 3762 PWs) bands (ev): -30.8401 -30.8401 -13.5374 -13.5347 -12.9539 -12.9438 -12.4390 -12.4287 -12.1950 -12.1921 -11.5831 -11.5806 -11.3607 -11.3601 -10.6744 -10.6548 -10.5176 -10.5013 -9.8733 -9.8728 -3.1844 -3.1844 -1.8187 -1.8186 0.0101 0.0104 1.2588 1.2617 1.6501 1.6533 1.7260 1.7298 1.8335 1.8374 3.6348 3.6456 3.6740 3.6859 4.0908 4.0912 4.3029 4.3032 4.6135 4.6146 4.9017 4.9041 4.9747 4.9775 5.4934 5.4963 5.5494 5.5547 5.7049 5.7068 5.9628 5.9631 10.1822 10.1826 11.0179 11.0184 13.9230 13.9336 14.2522 14.2868 14.3137 14.3386 14.5680 14.5765 k = 0.5000 0.2887 0.3982 ( 3762 PWs) bands (ev): -30.8401 -30.8401 -13.5439 -13.5407 -12.9511 -12.9389 -12.4311 -12.4185 -12.1962 -12.1926 -11.6005 -11.5976 -11.3501 -11.3493 -10.6741 -10.6508 -10.5142 -10.4949 -9.8788 -9.8782 -3.1871 -3.1871 -1.8169 -1.8168 0.0154 0.0158 1.2577 1.2613 1.6374 1.6412 1.7297 1.7349 1.8312 1.8363 3.6322 3.6456 3.6700 3.6846 4.1058 4.1062 4.2908 4.2912 4.6190 4.6204 4.8924 4.8946 4.9814 4.9842 5.4823 5.4849 5.5430 5.5480 5.7216 5.7234 5.9644 5.9647 10.1823 10.1828 11.0157 11.0163 13.9300 13.9437 14.2451 14.2876 14.3060 14.3364 14.5686 14.5782 k = 0.5000 0.2887 0.3829 ( 3762 PWs) bands (ev): -30.8401 -30.8401 -13.5515 -13.5478 -12.9473 -12.9333 -12.4220 -12.4073 -12.1969 -12.1926 -11.6204 -11.6173 -11.3377 -11.3367 -10.6749 -10.6489 -10.5079 -10.4865 -9.8854 -9.8847 -3.1904 -3.1903 -1.8148 -1.8147 0.0219 0.0223 1.2564 1.2607 1.6223 1.6267 1.7342 1.7410 1.8286 1.8351 3.6293 3.6452 3.6657 3.6830 4.1230 4.1234 4.2774 4.2778 4.6248 4.6264 4.8823 4.8844 4.9887 4.9914 5.4658 5.4676 5.5430 5.5471 5.7371 5.7388 5.9665 5.9669 10.1823 10.1829 11.0134 11.0140 13.9375 13.9544 14.2378 14.2868 14.2986 14.3332 14.5698 14.5800 k = 0.5000 0.2887 0.3676 ( 3762 PWs) bands (ev): -30.8401 -30.8401 -13.5600 -13.5560 -12.9426 -12.9269 -12.4123 -12.3957 -12.1966 -12.1915 -11.6426 -11.6394 -11.3237 -11.3225 -10.6772 -10.6500 -10.4981 -10.4759 -9.8932 -9.8924 -3.1942 -3.1941 -1.8124 -1.8122 0.0293 0.0298 1.2550 1.2601 1.6051 1.6100 1.7391 1.7478 1.8257 1.8339 3.6262 3.6444 3.6614 3.6811 4.1419 4.1424 4.2632 4.2636 4.6306 4.6323 4.8717 4.8736 4.9966 4.9992 5.4462 5.4472 5.5464 5.5497 5.7514 5.7529 5.9693 5.9698 10.1823 10.1829 11.0110 11.0117 13.9447 13.9650 14.2308 14.2832 14.2935 14.3290 14.5713 14.5822 k = 0.5000 0.2887 0.3523 ( 3762 PWs) bands (ev): -30.8401 -30.8401 -13.5694 -13.5651 -12.9368 -12.9197 -12.4026 -12.3845 -12.1945 -12.1888 -11.6666 -11.6635 -11.3082 -11.3069 -10.6816 -10.6544 -10.4849 -10.4630 -9.9020 -9.9011 -3.1984 -3.1983 -1.8096 -1.8094 0.0378 0.0383 1.2536 1.2594 1.5860 1.5915 1.7444 1.7552 1.8228 1.8328 3.6228 3.6429 3.6574 3.6790 4.1619 4.1623 4.2487 4.2490 4.6362 4.6379 4.8610 4.8626 5.0051 5.0075 5.4253 5.4258 5.5511 5.5539 5.7641 5.7656 5.9730 5.9735 10.1821 10.1827 11.0087 11.0095 13.9504 13.9742 14.2246 14.2773 14.2908 14.3239 14.5731 14.5850 k = 0.5000 0.2887 0.3370 ( 3758 PWs) bands (ev): -30.8401 -30.8401 -13.5794 -13.5749 -12.9299 -12.9118 -12.3936 -12.3744 -12.1901 -12.1839 -11.6921 -11.6892 -11.2914 -11.2899 -10.6882 -10.6618 -10.4689 -10.4481 -9.9119 -9.9109 -3.2031 -3.2030 -1.8065 -1.8063 0.0471 0.0477 1.2521 1.2587 1.5653 1.5714 1.7496 1.7629 1.8199 1.8323 3.6192 3.6403 3.6541 3.6768 4.1823 4.1827 4.2342 4.2346 4.6412 4.6431 4.8503 4.8517 5.0142 5.0164 5.4040 5.4043 5.5562 5.5587 5.7754 5.7768 5.9775 5.9781 10.1816 10.1824 11.0068 11.0076 13.9538 13.9807 14.2199 14.2718 14.2888 14.3181 14.5751 14.5886 k = 0.5000 0.2887 0.3216 ( 3766 PWs) bands (ev): -30.8401 -30.8401 -13.5898 -13.5853 -12.9221 -12.9030 -12.3861 -12.3664 -12.1828 -12.1761 -11.7187 -11.7163 -11.2734 -11.2717 -10.6970 -10.6719 -10.4505 -10.4314 -9.9227 -9.9216 -3.2082 -3.2081 -1.8032 -1.8030 0.0572 0.0579 1.2506 1.2580 1.5433 1.5500 1.7543 1.7702 1.8177 1.8325 3.6154 3.6366 3.6516 3.6744 4.2019 4.2021 4.2209 4.2215 4.6457 4.6477 4.8399 4.8412 5.0236 5.0256 5.3830 5.3832 5.5611 5.5633 5.7851 5.7864 5.9830 5.9836 10.1810 10.1817 11.0053 11.0062 13.9538 13.9830 14.2175 14.2680 14.2868 14.3118 14.5772 14.5930 k = 0.5000 0.2887 0.3063 ( 3774 PWs) bands (ev): -30.8402 -30.8402 -13.6007 -13.5961 -12.9133 -12.8935 -12.3806 -12.3610 -12.1722 -12.1650 -11.7461 -11.7443 -11.2544 -11.2525 -10.7078 -10.6844 -10.4307 -10.4132 -9.9345 -9.9333 -3.2136 -3.2135 -1.7996 -1.7994 0.0681 0.0688 1.2491 1.2573 1.5202 1.5276 1.7579 1.7760 1.8173 1.8342 3.6113 3.6318 3.6498 3.6720 4.2041 4.2042 4.2250 4.2258 4.6495 4.6516 4.8301 4.8312 5.0335 5.0352 5.3627 5.3629 5.5654 5.5675 5.7931 5.7944 5.9895 5.9902 10.1800 10.1808 11.0044 11.0053 13.9498 13.9802 14.2177 14.2661 14.2854 14.3055 14.5796 14.5981 k = 0.5000 0.2887 0.2910 ( 3772 PWs) bands (ev): -30.8402 -30.8402 -13.6118 -13.6072 -12.9035 -12.8831 -12.3773 -12.3582 -12.1585 -12.1504 -11.7740 -11.7728 -11.2345 -11.2323 -10.7204 -10.6987 -10.4097 -10.3941 -9.9471 -9.9458 -3.2193 -3.2191 -1.7958 -1.7956 0.0795 0.0803 1.2476 1.2568 1.4964 1.5046 1.7599 1.7787 1.8202 1.8376 3.6068 3.6261 3.6486 3.6695 4.1919 4.1921 4.2434 4.2440 4.6527 4.6548 4.8210 4.8220 5.0437 5.0452 5.3436 5.3439 5.5690 5.5709 5.7996 5.8009 5.9970 5.9977 10.1787 10.1796 11.0042 11.0051 13.9415 13.9719 14.2200 14.2647 14.2859 14.3002 14.5825 14.6038 k = 0.5000 0.2887 0.2757 ( 3774 PWs) bands (ev): -30.8402 -30.8402 -13.6230 -13.6185 -12.8928 -12.8720 -12.3763 -12.3580 -12.1421 -12.1325 -11.8022 -11.8014 -11.2139 -11.2114 -10.7348 -10.7147 -10.3882 -10.3742 -9.9604 -9.9590 -3.2252 -3.2251 -1.7919 -1.7917 0.0915 0.0923 1.2461 1.2563 1.4722 1.4812 1.7599 1.7775 1.8269 1.8431 3.6020 3.6197 3.6478 3.6671 4.1800 4.1801 4.2611 4.2617 4.6551 4.6574 4.8126 4.8135 5.0541 5.0553 5.3260 5.3264 5.5716 5.5734 5.8045 5.8057 6.0054 6.0061 10.1771 10.1780 11.0048 11.0057 13.9291 13.9583 14.2227 14.2613 14.2899 14.2974 14.5857 14.6100 k = 0.5000 0.2887 0.2604 ( 3766 PWs) bands (ev): -30.8402 -30.8402 -13.6341 -13.6298 -12.8812 -12.8600 -12.3772 -12.3598 -12.1238 -12.1121 -11.8309 -11.8288 -11.1927 -11.1899 -10.7507 -10.7322 -10.3665 -10.3541 -9.9743 -9.9729 -3.2312 -3.2311 -1.7879 -1.7876 0.1038 0.1046 1.2447 1.2560 1.4477 1.4578 1.7579 1.7734 1.8366 1.8506 3.5966 3.6126 3.6472 3.6648 4.1688 4.1689 4.2774 4.2779 4.6569 4.6593 4.8047 4.8057 5.0648 5.0657 5.3106 5.3110 5.5733 5.5750 5.8078 5.8090 6.0147 6.0153 10.1751 10.1760 11.0062 11.0072 13.9132 13.9405 14.2238 14.2549 14.2972 14.2992 14.5894 14.6165 k = 0.5000 0.2887 0.2451 ( 3762 PWs) bands (ev): -30.8402 -30.8402 -13.6452 -13.6410 -12.8687 -12.8473 -12.3797 -12.3632 -12.1046 -12.0901 -11.8591 -11.8548 -11.1710 -11.1678 -10.7679 -10.7509 -10.3450 -10.3340 -9.9888 -9.9873 -3.2374 -3.2373 -1.7838 -1.7835 0.1164 0.1173 1.2432 1.2558 1.4234 1.4346 1.7541 1.7675 1.8480 1.8597 3.5907 3.6049 3.6469 3.6628 4.1587 4.1588 4.2921 4.2925 4.6580 4.6605 4.7970 4.7982 5.0756 5.0763 5.2975 5.2979 5.5740 5.5757 5.8096 5.8107 6.0246 6.0252 10.1728 10.1737 11.0085 11.0094 13.8944 13.9194 14.2219 14.2461 14.3047 14.3079 14.5936 14.6232 k = 0.5000 0.2887 0.2297 ( 3766 PWs) bands (ev): -30.8402 -30.8402 -13.6560 -13.6520 -12.8554 -12.8339 -12.3836 -12.3678 -12.0860 -12.0679 -11.8857 -11.8784 -11.1491 -11.1455 -10.7862 -10.7706 -10.3240 -10.3143 -10.0036 -10.0021 -3.2436 -3.2435 -1.7796 -1.7794 0.1292 0.1300 1.2417 1.2557 1.3994 1.4120 1.7490 1.7604 1.8603 1.8702 3.5841 3.5966 3.6469 3.6610 4.1496 4.1497 4.3052 4.3056 4.6585 4.6611 4.7891 4.7906 5.0868 5.0871 5.2871 5.2875 5.5738 5.5755 5.8099 5.8111 6.0351 6.0356 10.1702 10.1710 11.0116 11.0125 13.8735 13.8961 14.2169 14.2357 14.3144 14.3191 14.5982 14.6301 k = 0.5000 0.2887 0.2144 ( 3762 PWs) bands (ev): -30.8402 -30.8402 -13.6665 -13.6627 -12.8414 -12.8199 -12.3885 -12.3733 -12.0703 -12.0477 -11.9087 -11.8974 -11.1272 -11.1230 -10.8054 -10.7912 -10.3036 -10.2952 -10.0187 -10.0171 -3.2498 -3.2497 -1.7755 -1.7752 0.1419 0.1428 1.2401 1.2558 1.3760 1.3903 1.7427 1.7526 1.8733 1.8815 3.5768 3.5877 3.6472 3.6596 4.1415 4.1416 4.3170 4.3174 4.6585 4.6612 4.7804 4.7822 5.0982 5.0983 5.2795 5.2799 5.5728 5.5745 5.8089 5.8100 6.0459 6.0464 10.1673 10.1681 11.0155 11.0163 13.8512 13.8713 14.2097 14.2242 14.3260 14.3309 14.6033 14.6372 k = 0.5000 0.2887 0.1991 ( 3762 PWs) bands (ev): -30.8402 -30.8402 -13.6765 -13.6730 -12.8266 -12.8052 -12.3940 -12.3793 -12.0610 -12.0344 -11.9238 -11.9087 -11.1054 -11.1006 -10.8254 -10.8124 -10.2843 -10.2769 -10.0338 -10.0322 -3.2559 -3.2558 -1.7714 -1.7711 0.1546 0.1554 1.2382 1.2560 1.3534 1.3699 1.7357 1.7442 1.8865 1.8935 3.5689 3.5782 3.6478 3.6586 4.1344 4.1345 4.3278 4.3281 4.6579 4.6607 4.7706 4.7726 5.1099 5.1102 5.2748 5.2753 5.5712 5.5729 5.8067 5.8077 6.0568 6.0572 10.1641 10.1649 11.0200 11.0208 13.8281 13.8459 14.2009 14.2121 14.3382 14.3424 14.6090 14.6444 k = 0.5000 0.2887 0.1838 ( 3762 PWs) bands (ev): -30.8402 -30.8402 -13.6861 -13.6829 -12.8112 -12.7899 -12.4002 -12.3858 -12.0612 -12.0343 -11.9245 -11.9091 -11.0840 -11.0783 -10.8458 -10.8340 -10.2662 -10.2599 -10.0487 -10.0470 -3.2619 -3.2617 -1.7674 -1.7671 0.1670 0.1678 1.2358 1.2561 1.3321 1.3510 1.7280 1.7354 1.8998 1.9057 3.5603 3.5682 3.6487 3.6580 4.1283 4.1284 4.3379 4.3381 4.6567 4.6597 4.7591 4.7614 5.1222 5.1226 5.2727 5.2733 5.5691 5.5708 5.8033 5.8043 6.0677 6.0680 10.1608 10.1615 11.0252 11.0259 13.8048 13.8205 14.1912 14.1997 14.3501 14.3534 14.6153 14.6516 k = 0.5000 0.2887 0.1685 ( 3762 PWs) bands (ev): -30.8402 -30.8402 -13.6952 -13.6922 -12.7953 -12.7742 -12.4067 -12.3925 -12.0711 -12.0476 -11.9110 -11.8990 -11.0632 -11.0564 -10.8665 -10.8557 -10.2496 -10.2443 -10.0630 -10.0613 -3.2676 -3.2675 -1.7635 -1.7633 0.1790 0.1799 1.2327 1.2558 1.3125 1.3342 1.7200 1.7265 1.9129 1.9179 3.5512 3.5579 3.6498 3.6579 4.1231 4.1232 4.3477 4.3479 4.6551 4.6582 4.7460 4.7485 5.1350 5.1356 5.2729 5.2736 5.5667 5.5684 5.7989 5.7999 6.0783 6.0786 10.1573 10.1580 11.0308 11.0314 13.7818 13.7954 14.1808 14.1873 14.3611 14.3635 14.6221 14.6589 k = 0.5000 0.2887 0.1532 ( 3762 PWs) bands (ev): -30.8403 -30.8403 -13.7036 -13.7009 -12.7790 -12.7582 -12.4134 -12.3994 -12.0873 -12.0679 -11.8899 -11.8816 -11.0436 -11.0351 -10.8872 -10.8771 -10.2349 -10.2306 -10.0764 -10.0747 -3.2731 -3.2730 -1.7598 -1.7596 0.1906 0.1913 1.2287 1.2545 1.2954 1.3198 1.7118 1.7175 1.9258 1.9300 3.5418 3.5474 3.6512 3.6581 4.1186 4.1188 4.3576 4.3577 4.6528 4.6562 4.7311 4.7340 5.1482 5.1490 5.2749 5.2758 5.5642 5.5658 5.7937 5.7947 6.0885 6.0887 10.1538 10.1545 11.0366 11.0373 13.7594 13.7713 14.1702 14.1750 14.3709 14.3726 14.6294 14.6661 k = 0.5000 0.2887 0.1378 ( 3768 PWs) bands (ev): -30.8403 -30.8403 -13.7114 -13.7089 -12.7623 -12.7419 -12.4204 -12.4064 -12.1065 -12.0905 -11.8660 -11.8606 -11.0258 -11.0147 -10.9077 -10.8973 -10.2226 -10.2192 -10.0884 -10.0866 -3.2782 -3.2781 -1.7563 -1.7561 0.2015 0.2022 1.2235 1.2503 1.2826 1.3082 1.7037 1.7086 1.9381 1.9417 3.5322 3.5369 3.6528 3.6586 4.1150 4.1151 4.3679 4.3680 4.6498 4.6535 4.7149 4.7182 5.1618 5.1626 5.2785 5.2794 5.5616 5.5632 5.7879 5.7889 6.0981 6.0983 10.1504 10.1510 11.0426 11.0432 13.7382 13.7484 14.1596 14.1631 14.3794 14.3806 14.6372 14.6731 k = 0.5000 0.2887 0.1225 ( 3772 PWs) bands (ev): -30.8403 -30.8403 -13.7184 -13.7162 -12.7455 -12.7256 -12.4275 -12.4136 -12.1266 -12.1133 -11.8415 -11.8380 -11.0108 -10.9953 -10.9279 -10.9151 -10.2131 -10.2107 -10.0983 -10.0963 -3.2829 -3.2829 -1.7531 -1.7529 0.2116 0.2123 1.2171 1.2416 1.2760 1.2994 1.6958 1.7000 1.9498 1.9528 3.5227 3.5266 3.6544 3.6594 4.1119 4.1121 4.3789 4.3790 4.6457 4.6499 4.6981 4.7019 5.1754 5.1762 5.2829 5.2839 5.5591 5.5607 5.7816 5.7826 6.1071 6.1072 10.1471 10.1476 11.0486 11.0491 13.7184 13.7271 14.1493 14.1518 14.3864 14.3875 14.6454 14.6798 k = 0.5000 0.2887 0.1072 ( 3762 PWs) bands (ev): -30.8403 -30.8403 -13.7247 -13.7228 -12.7287 -12.7096 -12.4346 -12.4209 -12.1462 -12.1352 -11.8176 -11.8153 -11.0009 -10.9776 -10.9472 -10.9278 -10.2069 -10.2055 -10.1054 -10.1034 -3.2873 -3.2872 -1.7501 -1.7500 0.2209 0.2215 1.2100 1.2302 1.2740 1.2931 1.6883 1.6919 1.9606 1.9631 3.5135 3.5168 3.6562 3.6604 4.1095 4.1096 4.3907 4.3908 4.6396 4.6442 4.6820 4.6863 5.1886 5.1894 5.2879 5.2890 5.5568 5.5583 5.7752 5.7761 6.1152 6.1154 10.1439 10.1444 11.0543 11.0547 13.7003 13.7076 14.1396 14.1413 14.3922 14.3933 14.6538 14.6859 k = 0.5000 0.2887 0.0919 ( 3766 PWs) bands (ev): -30.8403 -30.8403 -13.7302 -13.7286 -12.7122 -12.6941 -12.4417 -12.4283 -12.1646 -12.1556 -11.7951 -11.7935 -10.9991 -10.9699 -10.9574 -10.9324 -10.2044 -10.2037 -10.1094 -10.1073 -3.2911 -3.2910 -1.7475 -1.7474 0.2292 0.2297 1.2026 1.2184 1.2739 1.2888 1.6814 1.6844 1.9704 1.9725 3.5050 3.5076 3.6579 3.6614 4.1075 4.1077 4.4035 4.4036 4.6301 4.6345 4.6693 4.6733 5.2010 5.2017 5.2931 5.2942 5.5548 5.5563 5.7688 5.7697 6.1225 6.1226 10.1411 10.1414 11.0597 11.0600 13.6842 13.6902 14.1307 14.1318 14.3968 14.3980 14.6622 14.6913 k = 0.5000 0.2887 0.0766 ( 3770 PWs) bands (ev): -30.8403 -30.8403 -13.7349 -13.7336 -12.6963 -12.6795 -12.4486 -12.4357 -12.1811 -12.1739 -11.7748 -11.7735 -11.0049 -10.9855 -10.9446 -10.9293 -10.2050 -10.2048 -10.1106 -10.1086 -3.2944 -3.2944 -1.7453 -1.7451 0.2364 0.2369 1.1956 1.2077 1.2747 1.2860 1.6752 1.6777 1.9790 1.9807 3.4972 3.4993 3.6596 3.6624 4.1060 4.1061 4.4173 4.4173 4.6162 4.6196 4.6614 4.6644 5.2122 5.2129 5.2981 5.2991 5.5532 5.5545 5.7628 5.7635 6.1287 6.1288 10.1385 10.1388 11.0645 11.0648 13.6702 13.6751 14.1227 14.1235 14.4004 14.4016 14.6703 14.6959 k = 0.5000 0.2887 0.0613 ( 3764 PWs) bands (ev): -30.8403 -30.8403 -13.7388 -13.7377 -12.6814 -12.6665 -12.4549 -12.4431 -12.1951 -12.1896 -11.7570 -11.7559 -11.0140 -11.0009 -10.9322 -10.9227 -10.2077 -10.2075 -10.1099 -10.1081 -3.2972 -3.2971 -1.7434 -1.7433 0.2424 0.2428 1.1894 1.1984 1.2758 1.2841 1.6699 1.6719 1.9863 1.9876 3.4905 3.4921 3.6611 3.6633 4.1049 4.1050 4.4318 4.4319 4.5992 4.6015 4.6569 4.6589 5.2219 5.2225 5.3027 5.3036 5.5519 5.5530 5.7573 5.7580 6.1339 6.1339 10.1364 10.1366 11.0686 11.0689 13.6586 13.6624 14.1160 14.1164 14.4033 14.4044 14.6780 14.6993 k = 0.5000 0.2887 0.0459 ( 3764 PWs) bands (ev): -30.8403 -30.8403 -13.7418 -13.7409 -12.6680 -12.6557 -12.4602 -12.4502 -12.2064 -12.2024 -11.7425 -11.7414 -11.0229 -11.0139 -10.9219 -10.9159 -10.2112 -10.2109 -10.1082 -10.1068 -3.2994 -3.2993 -1.7419 -1.7418 0.2472 0.2475 1.1844 1.1908 1.2770 1.2828 1.6657 1.6672 1.9922 1.9931 3.4851 3.4863 3.6624 3.6640 4.1041 4.1041 4.4469 4.4471 4.5810 4.5825 4.6542 4.6554 5.2298 5.2303 5.3065 5.3073 5.5510 5.5519 5.7528 5.7533 6.1380 6.1380 10.1347 10.1349 11.0720 11.0722 13.6496 13.6524 14.1106 14.1108 14.4055 14.4063 14.6849 14.7014 k = 0.5000 0.2887 0.0306 ( 3760 PWs) bands (ev): -30.8403 -30.8403 -13.7438 -13.7433 -12.6569 -12.6480 -12.4640 -12.4566 -12.2146 -12.2119 -11.7315 -11.7307 -11.0297 -11.0241 -10.9142 -10.9106 -10.2142 -10.2140 -10.1064 -10.1054 -3.3010 -3.3009 -1.7408 -1.7407 0.2507 0.2509 1.1810 1.1851 1.2781 1.2819 1.6627 1.6637 1.9965 1.9971 3.4812 3.4820 3.6634 3.6645 4.1035 4.1036 4.4618 4.4619 4.5634 4.5644 4.6526 4.6533 5.2356 5.2359 5.3095 5.3100 5.5505 5.5511 5.7494 5.7497 6.1409 6.1410 10.1334 10.1336 11.0745 11.0746 13.6432 13.6450 14.1066 14.1068 14.4070 14.4076 14.6909 14.7022 k = 0.5000 0.2887 0.0153 ( 3758 PWs) bands (ev): -30.8403 -30.8403 -13.7451 -13.7448 -12.6487 -12.6440 -12.4657 -12.4617 -12.2193 -12.2180 -11.7246 -11.7242 -11.0336 -11.0309 -10.9092 -10.9075 -10.2163 -10.2162 -10.1050 -10.1045 -3.3019 -3.3019 -1.7401 -1.7401 0.2528 0.2529 1.1792 1.1812 1.2792 1.2810 1.6610 1.6614 1.9991 1.9995 3.4789 3.4793 3.6642 3.6647 4.1032 4.1032 4.4744 4.4745 4.5491 4.5497 4.6517 4.6520 5.2392 5.2394 5.3114 5.3117 5.5502 5.5506 5.7472 5.7474 6.1427 6.1427 10.1327 10.1328 11.0761 11.0761 13.6394 13.6403 14.1042 14.1043 14.4080 14.4083 14.6958 14.7015 k = 0.5000 0.2887-0.0000 ( 3764 PWs) bands (ev): -30.8403 -30.8403 -13.7454 -13.7454 -12.6442 -12.6442 -12.4649 -12.4649 -12.2205 -12.2205 -11.7222 -11.7222 -11.0341 -11.0341 -10.9070 -10.9070 -10.2170 -10.2170 -10.1044 -10.1044 -3.3022 -3.3022 -1.7399 -1.7399 0.2536 0.2536 1.1793 1.1793 1.2802 1.2802 1.6605 1.6605 2.0001 2.0001 3.4782 3.4782 3.6646 3.6646 4.1031 4.1031 4.4800 4.4800 4.5432 4.5432 4.6515 4.6515 5.2405 5.2405 5.3122 5.3122 5.5503 5.5503 5.7466 5.7466 6.1433 6.1433 10.1324 10.1324 11.0766 11.0766 13.6385 13.6385 14.1034 14.1034 14.4084 14.4084 14.6993 14.6993 k = 0.3333 0.5774-0.0000 ( 3750 PWs) bands (ev): -30.8402 -30.8402 -13.4721 -13.4487 -13.2078 -13.1692 -12.3459 -12.3347 -11.8795 -11.8102 -11.7124 -11.6451 -11.3519 -11.3483 -10.8384 -10.8229 -10.6503 -10.6379 -9.8193 -9.8193 -2.5426 -2.5388 -2.3730 -2.3700 0.5143 0.5483 0.5781 0.6156 1.3038 1.3105 2.1834 2.1998 2.3497 2.3637 2.7463 2.7504 3.1360 3.1386 4.4191 4.4195 4.6742 4.6746 4.7217 4.7221 4.8683 4.8684 5.1390 5.1409 5.2160 5.2212 5.6933 5.6949 5.8626 5.8697 5.9025 5.9084 10.1280 10.1310 10.9588 10.9618 13.5997 13.7177 13.8791 13.9566 14.0581 14.0715 14.7806 14.8275 k = 0.3333 0.5774 0.0153 ( 3756 PWs) bands (ev): -30.8402 -30.8402 -13.4671 -13.4442 -13.2018 -13.1638 -12.3374 -12.3252 -11.8960 -11.8272 -11.7363 -11.6681 -11.3780 -11.3744 -10.8202 -10.8009 -10.6333 -10.6178 -9.8040 -9.8040 -2.5454 -2.5414 -2.3769 -2.3736 0.5014 0.5356 0.5633 0.6010 1.2840 1.2905 2.1883 2.2043 2.3552 2.3690 2.7461 2.7498 3.1398 3.1426 4.4561 4.4565 4.6847 4.6850 4.7343 4.7344 4.8689 4.8690 5.1366 5.1382 5.2149 5.2198 5.6737 5.6752 5.8758 5.8830 5.9126 5.9187 10.1421 10.1451 10.9739 10.9768 13.5643 13.6846 13.8462 13.9278 14.0579 14.0726 14.7342 14.7771 k = 0.3333 0.5774 0.0306 ( 3756 PWs) bands (ev): -30.8402 -30.8402 -13.4611 -13.4388 -13.1948 -13.1573 -12.3300 -12.3166 -11.9135 -11.8455 -11.7619 -11.6928 -11.4023 -11.3989 -10.8012 -10.7782 -10.6157 -10.5970 -9.7899 -9.7898 -2.5482 -2.5441 -2.3808 -2.3774 0.4890 0.5234 0.5487 0.5866 1.2641 1.2705 2.1939 2.2097 2.3613 2.3748 2.7460 2.7494 3.1447 3.1476 4.4929 4.4933 4.6920 4.6922 4.7431 4.7431 4.8691 4.8691 5.1377 5.1388 5.2173 5.2218 5.6539 5.6555 5.8884 5.8957 5.9222 5.9284 10.1565 10.1594 10.9891 10.9919 13.5297 13.6523 13.8130 13.8982 14.0597 14.0752 14.6872 14.7265 k = 0.3333 0.5774 0.0459 ( 3756 PWs) bands (ev): -30.8402 -30.8402 -13.4542 -13.4326 -13.1867 -13.1499 -12.3240 -12.3093 -11.9318 -11.8650 -11.7886 -11.7188 -11.4247 -11.4214 -10.7819 -10.7552 -10.5977 -10.5758 -9.7771 -9.7770 -2.5511 -2.5468 -2.3848 -2.3812 0.4771 0.5118 0.5346 0.5726 1.2444 1.2506 2.2002 2.2157 2.3677 2.3811 2.7462 2.7493 3.1505 3.1536 4.5291 4.5296 4.6962 4.6963 4.7482 4.7483 4.8690 4.8690 5.1420 5.1427 5.2230 5.2269 5.6342 5.6359 5.9004 5.9078 5.9310 5.9374 10.1709 10.1738 11.0043 11.0069 13.4965 13.6212 13.7802 13.8685 14.0630 14.0792 14.6399 14.6758 k = 0.3333 0.5774 0.0613 ( 3744 PWs) bands (ev): -30.8402 -30.8402 -13.4465 -13.4255 -13.1776 -13.1416 -12.3197 -12.3034 -11.9505 -11.8853 -11.8162 -11.7461 -11.4448 -11.4416 -10.7623 -10.7321 -10.5794 -10.5544 -9.7655 -9.7655 -2.5539 -2.5495 -2.3887 -2.3850 0.4661 0.5009 0.5210 0.5592 1.2250 1.2312 2.2070 2.2224 2.3746 2.3879 2.7466 2.7494 3.1570 3.1602 4.5646 4.5650 4.6973 4.6974 4.7499 4.7500 4.8685 4.8685 5.1494 5.1494 5.2316 5.2348 5.6148 5.6165 5.9117 5.9192 5.9390 5.9455 10.1852 10.1881 11.0192 11.0217 13.4652 13.5920 13.7482 13.8394 14.0680 14.0846 14.5926 14.6255 k = 0.3333 0.5774 0.0766 ( 3747 PWs) bands (ev): -30.8402 -30.8402 -13.4379 -13.4178 -13.1675 -13.1323 -12.3175 -12.2994 -11.9695 -11.9062 -11.8445 -11.7742 -11.4625 -11.4594 -10.7428 -10.7092 -10.5611 -10.5332 -9.7554 -9.7553 -2.5568 -2.5522 -2.3927 -2.3887 0.4558 0.4908 0.5081 0.5464 1.2062 1.2122 2.2142 2.2296 2.3817 2.3951 2.7472 2.7497 3.1640 3.1674 4.5990 4.5994 4.6959 4.6959 4.7486 4.7487 4.8676 4.8677 5.1586 5.1592 5.2424 5.2449 5.5958 5.5976 5.9222 5.9298 5.9462 5.9529 10.1993 10.2022 11.0336 11.0360 13.4362 13.5649 13.7176 13.8114 14.0744 14.0915 14.5457 14.5758 k = 0.3333 0.5774 0.0919 ( 3744 PWs) bands (ev): -30.8402 -30.8402 -13.4285 -13.4093 -13.1565 -13.1222 -12.3175 -12.2973 -11.9885 -11.9276 -11.8733 -11.8030 -11.4773 -11.4743 -10.7235 -10.6868 -10.5430 -10.5122 -9.7467 -9.7466 -2.5596 -2.5549 -2.3965 -2.3924 0.4464 0.4816 0.4960 0.5344 1.1882 1.1941 2.2218 2.2373 2.3890 2.4025 2.7480 2.7503 3.1715 3.1750 4.6321 4.6325 4.6923 4.6924 4.7449 4.7449 4.8664 4.8665 5.1696 5.1710 5.2550 5.2566 5.5774 5.5792 5.9319 5.9396 5.9526 5.9595 10.2130 10.2158 11.0474 11.0497 13.4100 13.5406 13.6890 13.7852 14.0823 14.0999 14.4994 14.5269 k = 0.3333 0.5774 0.1072 ( 3744 PWs) bands (ev): -30.8402 -30.8402 -13.4184 -13.4001 -13.1445 -13.1113 -12.3199 -12.2974 -12.0073 -11.9493 -11.9023 -11.8322 -11.4890 -11.4862 -10.7046 -10.6649 -10.5252 -10.4918 -9.7394 -9.7393 -2.5623 -2.5575 -2.4003 -2.3960 0.4381 0.4734 0.4849 0.5234 1.1711 1.1769 2.2297 2.2452 2.3963 2.4100 2.7490 2.7510 3.1791 3.1827 4.6637 4.6643 4.6872 4.6873 4.7391 4.7392 4.8649 4.8650 5.1819 5.1840 5.2684 5.2693 5.5597 5.5616 5.9407 5.9485 5.9582 5.9651 10.2262 10.2290 11.0604 11.0626 13.3869 13.5194 13.6628 13.7612 14.0917 14.1097 14.4541 14.4792 k = 0.3333 0.5774 0.1225 ( 3744 PWs) bands (ev): -30.8401 -30.8401 -13.4075 -13.3903 -13.1316 -13.0996 -12.3249 -12.2999 -12.0258 -11.9710 -11.9313 -11.8617 -11.4976 -11.4948 -10.6863 -10.6439 -10.5080 -10.4721 -9.7337 -9.7335 -2.5650 -2.5601 -2.4038 -2.3994 0.4308 0.4662 0.4747 0.5133 1.1550 1.1607 2.2377 2.2535 2.4036 2.4176 2.7502 2.7520 3.1868 3.1905 4.6805 4.6811 4.6943 4.6944 4.7320 4.7321 4.8631 4.8633 5.1948 5.1976 5.2823 5.2823 5.5428 5.5448 5.9485 5.9564 5.9629 5.9700 10.2386 10.2414 11.0725 11.0745 13.3672 13.5016 13.6393 13.7398 14.1024 14.1209 14.4101 14.4329 k = 0.3333 0.5774 0.1378 ( 3750 PWs) bands (ev): -30.8401 -30.8401 -13.3960 -13.3800 -13.1178 -13.0872 -12.3324 -12.3048 -12.0440 -11.9928 -11.9601 -11.8913 -11.5027 -11.5000 -10.6687 -10.6237 -10.4915 -10.4532 -9.7294 -9.7293 -2.5675 -2.5625 -2.4072 -2.4026 0.4247 0.4601 0.4656 0.5043 1.1403 1.1459 2.2457 2.2618 2.4109 2.4252 2.7516 2.7531 3.1942 3.1981 4.6737 4.6744 4.7224 4.7228 4.7238 4.7241 4.8611 4.8613 5.2078 5.2113 5.2951 5.2958 5.5270 5.5290 5.9553 5.9633 5.9668 5.9740 10.2502 10.2530 11.0835 11.0854 13.3512 13.4875 13.6192 13.7216 14.1145 14.1336 14.3677 14.3884 k = 0.3333 0.5774 0.1532 ( 3759 PWs) bands (ev): -30.8401 -30.8401 -13.3839 -13.3692 -13.1033 -13.0741 -12.3423 -12.3123 -12.0619 -12.0146 -11.9886 -11.9208 -11.5044 -11.5018 -10.6520 -10.6046 -10.4757 -10.4352 -9.7267 -9.7266 -2.5698 -2.5647 -2.4103 -2.4056 0.4197 0.4552 0.4577 0.4964 1.1268 1.1323 2.2538 2.2702 2.4179 2.4326 2.7531 2.7544 3.2014 3.2053 4.6665 4.6674 4.7150 4.7155 4.7487 4.7492 4.8589 4.8591 5.2203 5.2245 5.3071 5.3086 5.5123 5.5144 5.9611 5.9692 5.9699 5.9771 10.2608 10.2636 11.0932 11.0950 13.3392 13.4774 13.6026 13.7068 14.1277 14.1476 14.3270 14.3459 k = 0.3333 0.5774 0.1685 ( 3747 PWs) bands (ev): -30.8401 -30.8401 -13.3714 -13.3579 -13.0880 -13.0605 -12.3542 -12.3219 -12.0796 -12.0361 -12.0165 -11.9501 -11.5026 -11.5000 -10.6362 -10.5866 -10.4608 -10.4183 -9.7256 -9.7254 -2.5720 -2.5668 -2.4132 -2.4083 0.4159 0.4511 0.4514 0.4897 1.1149 1.1203 2.2618 2.2787 2.4247 2.4399 2.7547 2.7559 3.2080 3.2119 4.6594 4.6605 4.7060 4.7066 4.7730 4.7734 4.8567 4.8569 5.2321 5.2369 5.3180 5.3202 5.4988 5.5009 5.9659 5.9723 5.9741 5.9795 10.2704 10.2731 11.1015 11.1033 13.3314 13.4715 13.5899 13.6958 14.1420 14.1631 14.2885 14.3057 k = 0.3333 0.5774 0.1838 ( 3753 PWs) bands (ev): -30.8401 -30.8401 -13.3584 -13.3464 -13.0720 -13.0464 -12.3679 -12.3339 -12.0970 -12.0573 -12.0438 -11.9789 -11.4974 -11.4949 -10.6215 -10.5699 -10.4470 -10.4025 -9.7260 -9.7258 -2.5739 -2.5687 -2.4158 -2.4108 0.4134 0.4457 0.4489 0.4843 1.1045 1.1098 2.2696 2.2870 2.4312 2.4469 2.7565 2.7575 3.2139 3.2180 4.6526 4.6540 4.6968 4.6978 4.7946 4.7952 4.8546 4.8548 5.2426 5.2481 5.3274 5.3302 5.4867 5.4889 5.9695 5.9740 5.9780 5.9811 10.2787 10.2814 11.1084 11.1102 13.3278 13.4697 13.5813 13.6889 14.1562 14.1795 14.2524 14.2658 k = 0.3333 0.5774 0.1991 ( 3759 PWs) bands (ev): -30.8401 -30.8401 -13.3451 -13.3347 -13.0554 -13.0319 -12.3831 -12.3477 -12.1144 -12.0783 -12.0702 -12.0070 -11.4890 -11.4866 -10.6079 -10.5545 -10.4342 -10.3880 -9.7280 -9.7278 -2.5756 -2.5703 -2.4180 -2.4129 0.4121 0.4416 0.4476 0.4802 1.0957 1.1010 2.2771 2.2951 2.4373 2.4536 2.7583 2.7592 3.2191 3.2232 4.6463 4.6481 4.6878 4.6890 4.8131 4.8139 4.8533 4.8534 5.2516 5.2577 5.3350 5.3385 5.4760 5.4783 5.9721 5.9751 5.9809 5.9820 10.2856 10.2883 11.1138 11.1155 13.3285 13.4723 13.5771 13.6862 14.1676 14.1951 14.2189 14.2282 k = 0.3333 0.5774 0.2144 ( 3759 PWs) bands (ev): -30.8401 -30.8401 -13.3316 -13.3229 -13.0384 -13.0172 -12.3992 -12.3632 -12.1316 -12.0989 -12.0956 -12.0344 -11.4777 -11.4753 -10.5956 -10.5405 -10.4226 -10.3748 -9.7316 -9.7313 -2.5771 -2.5717 -2.4199 -2.4147 0.4120 0.4388 0.4474 0.4774 1.0887 1.0939 2.2844 2.3030 2.4429 2.4599 2.7602 2.7610 3.2234 3.2276 4.6407 4.6429 4.6790 4.6806 4.8265 4.8276 4.8543 4.8544 5.2589 5.2655 5.3408 5.3448 5.4670 5.4693 5.9734 5.9759 5.9823 5.9828 10.2912 10.2939 11.1175 11.1193 13.3335 13.4792 13.5774 13.6880 14.1668 14.1880 14.1920 14.1933 k = 0.3333 0.5774 0.2297 ( 3762 PWs) bands (ev): -30.8401 -30.8401 -13.3181 -13.3111 -13.0210 -13.0023 -12.4160 -12.3799 -12.1486 -12.1198 -12.1191 -12.0607 -11.4635 -11.4611 -10.5845 -10.5279 -10.4122 -10.3629 -9.7367 -9.7365 -2.5783 -2.5729 -2.4214 -2.4162 0.4131 0.4374 0.4485 0.4759 1.0834 1.0886 2.2913 2.3106 2.4481 2.4658 2.7622 2.7629 3.2268 3.2310 4.6359 4.6385 4.6705 4.6725 4.8323 4.8335 4.8601 4.8604 5.2642 5.2714 5.3445 5.3490 5.4597 5.4621 5.9736 5.9763 5.9821 5.9837 10.2953 10.2980 11.1196 11.1214 13.3426 13.4902 13.5823 13.6944 14.1480 14.1588 14.1624 14.1667 k = 0.3333 0.5774 0.2451 ( 3759 PWs) bands (ev): -30.8401 -30.8401 -13.3047 -13.2995 -13.0035 -12.9876 -12.4330 -12.3975 -12.1654 -12.1425 -12.1387 -12.0858 -11.4469 -11.4445 -10.5748 -10.5168 -10.4030 -10.3525 -9.7434 -9.7431 -2.5792 -2.5738 -2.4226 -2.4173 0.4155 0.4373 0.4508 0.4758 1.0800 1.0850 2.2978 2.3179 2.4527 2.4712 2.7643 2.7649 3.2291 3.2334 4.6319 4.6350 4.6623 4.6647 4.8323 4.8336 4.8690 4.8692 5.2675 5.2751 5.3461 5.3511 5.4545 5.4569 5.9730 5.9761 5.9812 5.9837 10.2979 10.3007 11.1202 11.1219 13.3557 13.5052 13.5917 13.7053 14.1224 14.1297 14.1376 14.1419 k = 0.3333 0.5774 0.2604 ( 3759 PWs) bands (ev): -30.8401 -30.8401 -13.2916 -13.2883 -12.9860 -12.9731 -12.4498 -12.4156 -12.1819 -12.1637 -12.1577 -12.1094 -11.4280 -11.4256 -10.5664 -10.5073 -10.3952 -10.3436 -9.7516 -9.7512 -2.5798 -2.5745 -2.4233 -2.4180 0.4191 0.4386 0.4542 0.4769 1.0783 1.0833 2.3039 2.3248 2.4569 2.4762 2.7663 2.7668 3.2304 3.2347 4.6288 4.6323 4.6544 4.6573 4.8301 4.8313 4.8769 4.8770 5.2687 5.2767 5.3457 5.3510 5.4513 5.4538 5.9718 5.9752 5.9800 5.9829 10.2990 10.3017 11.1191 11.1209 13.3726 13.5239 13.6058 13.7208 14.0967 14.1028 14.1171 14.1202 k = 0.3333 0.5774 0.2757 ( 3765 PWs) bands (ev): -30.8401 -30.8401 -13.2790 -13.2775 -12.9687 -12.9592 -12.4661 -12.4338 -12.1981 -12.1830 -12.1759 -12.1313 -11.4071 -11.4047 -10.5594 -10.4993 -10.3888 -10.3361 -9.7612 -9.7609 -2.5802 -2.5748 -2.4236 -2.4183 0.4237 0.4412 0.4588 0.4794 1.0784 1.0834 2.3094 2.3312 2.4604 2.4806 2.7684 2.7688 3.2307 3.2351 4.6266 4.6305 4.6468 4.6502 4.8270 4.8283 4.8821 4.8823 5.2678 5.2760 5.3434 5.3488 5.4504 5.4530 5.9701 5.9736 5.9782 5.9813 10.2985 10.3013 11.1164 11.1182 13.3930 13.5459 13.6242 13.7407 14.0730 14.0789 14.1005 14.1024 k = 0.3333 0.5774 0.2910 ( 3765 PWs) bands (ev): -30.8401 -30.8401 -13.2674 -13.2671 -12.9520 -12.9459 -12.4816 -12.4516 -12.2137 -12.2004 -12.1933 -12.1512 -11.3844 -11.3821 -10.5539 -10.4929 -10.3837 -10.3302 -9.7723 -9.7720 -2.5802 -2.5749 -2.4236 -2.4183 0.4295 0.4451 0.4644 0.4831 1.0804 1.0853 2.3145 2.3372 2.4634 2.4844 2.7704 2.7708 3.2300 3.2344 4.6251 4.6295 4.6393 4.6432 4.8235 4.8249 4.8842 4.8844 5.2647 5.2732 5.3392 5.3449 5.4521 5.4547 5.9680 5.9713 5.9761 5.9790 10.2965 10.2993 11.1121 11.1141 13.4164 13.5707 13.6468 13.7648 14.0521 14.0583 14.0883 14.0891 k = 0.3333 0.5774 0.3063 ( 3777 PWs) bands (ev): -30.8401 -30.8401 -13.2582 -13.2561 -12.9362 -12.9337 -12.4958 -12.4687 -12.2287 -12.2156 -12.2098 -12.1688 -11.3602 -11.3579 -10.5498 -10.4881 -10.3800 -10.3258 -9.7849 -9.7845 -2.5800 -2.5747 -2.4231 -2.4178 0.4363 0.4502 0.4711 0.4880 1.0841 1.0890 2.3191 2.3427 2.4659 2.4877 2.7724 2.7727 3.2283 3.2328 4.6242 4.6291 4.6318 4.6363 4.8197 4.8213 4.8826 4.8831 5.2597 5.2683 5.3336 5.3392 5.4564 5.4590 5.9654 5.9683 5.9735 5.9760 10.2930 10.2958 11.1065 11.1084 13.4424 13.5977 13.6732 13.7925 14.0345 14.0411 14.0805 14.0806 k = 0.3333 0.5774 0.3216 ( 3789 PWs) bands (ev): -30.8401 -30.8401 -13.2499 -13.2463 -12.9228 -12.9219 -12.5086 -12.4845 -12.2429 -12.2284 -12.2250 -12.1838 -11.3347 -11.3324 -10.5472 -10.4849 -10.3777 -10.3230 -9.7988 -9.7984 -2.5794 -2.5743 -2.4222 -2.4170 0.4441 0.4565 0.4787 0.4941 1.0896 1.0945 2.3231 2.3476 2.4677 2.4905 2.7743 2.7746 3.2258 3.2304 4.6239 4.6242 4.6291 4.6294 4.8156 4.8174 4.8774 4.8781 5.2528 5.2615 5.3266 5.3323 5.4634 5.4660 5.9623 5.9648 5.9706 5.9723 10.2880 10.2909 11.0994 11.1015 13.4703 13.6259 13.7028 13.8230 14.0211 14.0280 14.0777 14.0777 k = 0.3333 0.5774 0.3370 ( 3801 PWs) bands (ev): -30.8401 -30.8401 -13.2429 -13.2380 -12.9135 -12.9094 -12.5197 -12.4985 -12.2561 -12.2390 -12.2387 -12.1959 -11.3081 -11.3058 -10.5460 -10.4833 -10.3768 -10.3217 -9.8140 -9.8135 -2.5786 -2.5735 -2.4210 -2.4158 0.4528 0.4640 0.4872 0.5014 1.0967 1.1016 2.3266 2.3520 2.4691 2.4927 2.7761 2.7764 3.2226 3.2271 4.6163 4.6218 4.6240 4.6298 4.8111 4.8132 4.8685 4.8696 5.2443 5.2530 5.3189 5.3245 5.4730 5.4756 5.9586 5.9609 5.9672 5.9679 10.2817 10.2846 11.0911 11.0932 13.4997 13.6546 13.7347 13.8543 14.0138 14.0197 14.0801 14.0811 k = 0.3333 0.5774 0.3523 ( 3801 PWs) bands (ev): -30.8400 -30.8400 -13.2371 -13.2312 -12.9061 -12.8993 -12.5289 -12.5102 -12.2681 -12.2514 -12.2462 -12.2047 -11.2806 -11.2783 -10.5462 -10.4832 -10.3774 -10.3220 -9.8304 -9.8299 -2.5775 -2.5725 -2.4194 -2.4143 0.4623 0.4726 0.4965 0.5097 1.1055 1.1104 2.3295 2.3559 2.4698 2.4944 2.7778 2.7781 3.2187 3.2233 4.6079 4.6138 4.6241 4.6304 4.8058 4.8085 4.8564 4.8582 5.2346 5.2433 5.3106 5.3162 5.4852 5.4877 5.9541 5.9567 5.9630 5.9634 10.2741 10.2770 11.0817 11.0838 13.5297 13.6826 13.7674 13.8829 14.0161 14.0174 14.0882 14.0915 k = 0.3333 0.5774 0.3676 ( 3801 PWs) bands (ev): -30.8400 -30.8400 -13.2329 -13.2262 -12.9007 -12.8922 -12.5360 -12.5192 -12.2788 -12.2621 -12.2509 -12.2101 -11.2523 -11.2500 -10.5479 -10.4848 -10.3793 -10.3238 -9.8479 -9.8474 -2.5761 -2.5712 -2.4174 -2.4124 0.4726 0.4821 0.5065 0.5190 1.1158 1.1207 2.3319 2.3593 2.4701 2.4955 2.7794 2.7797 3.2143 3.2190 4.5987 4.6051 4.6241 4.6308 4.7988 4.8023 4.8420 4.8447 5.2240 5.2326 5.3023 5.3078 5.4998 5.5022 5.9488 5.9521 5.9574 5.9590 10.2653 10.2682 11.0712 11.0734 13.5597 13.7090 13.7988 13.9033 14.0229 14.0329 14.1023 14.1094 k = 0.3333 0.5774 0.3829 ( 3795 PWs) bands (ev): -30.8400 -30.8400 -13.2301 -13.2232 -12.8977 -12.8885 -12.5411 -12.5253 -12.2880 -12.2707 -12.2526 -12.2119 -11.2235 -11.2212 -10.5509 -10.4880 -10.3825 -10.3271 -9.8665 -9.8660 -2.5745 -2.5697 -2.4151 -2.4102 0.4835 0.4926 0.5172 0.5292 1.1276 1.1325 2.3337 2.3620 2.4699 2.4961 2.7809 2.7812 3.2096 3.2142 4.5886 4.5954 4.6236 4.6307 4.7881 4.7924 4.8279 4.8314 5.2131 5.2216 5.2944 5.2998 5.5165 5.5188 5.9428 5.9472 5.9513 5.9541 10.2554 10.2583 11.0597 11.0620 13.5891 13.7332 13.8265 13.9138 14.0383 14.0657 14.1228 14.1353 k = 0.3333 0.5774 0.3982 ( 3777 PWs) bands (ev): -30.8400 -30.8400 -13.2290 -13.2223 -12.8971 -12.8884 -12.5442 -12.5285 -12.2953 -12.2769 -12.2513 -12.2098 -11.1943 -11.1919 -10.5554 -10.4926 -10.3871 -10.3319 -9.8860 -9.8855 -2.5726 -2.5680 -2.4124 -2.4077 0.4949 0.5039 0.5285 0.5402 1.1408 1.1456 2.3350 2.3642 2.4691 2.4962 2.7822 2.7826 3.2046 3.2093 4.5774 4.5846 4.6223 4.6298 4.7714 4.7755 4.8175 4.8210 5.2023 5.2106 5.2873 5.2926 5.5349 5.5372 5.9362 5.9417 5.9445 5.9487 10.2445 10.2474 11.0475 11.0499 13.6172 13.7547 13.8484 13.9182 14.0653 14.1105 14.1497 14.1691 k = 0.3333 0.5774 0.4135 ( 3771 PWs) bands (ev): -30.8400 -30.8400 -13.2295 -13.2234 -12.8988 -12.8919 -12.5455 -12.5291 -12.3006 -12.2803 -12.2470 -12.2041 -11.1649 -11.1625 -10.5611 -10.4988 -10.3929 -10.3382 -9.9064 -9.9059 -2.5705 -2.5661 -2.4096 -2.4049 0.5069 0.5159 0.5401 0.5520 1.1551 1.1600 2.3357 2.3657 2.4680 2.4957 2.7833 2.7838 3.1996 3.2043 4.5651 4.5725 4.6198 4.6276 4.7482 4.7516 4.8111 4.8140 5.1921 5.2002 5.2814 5.2866 5.5549 5.5571 5.9288 5.9356 5.9370 5.9426 10.2328 10.2357 11.0346 11.0370 13.6439 13.7738 13.8646 13.9202 14.1034 14.1630 14.1830 14.2100 k = 0.3333 0.5774 0.4289 ( 3774 PWs) bands (ev): -30.8400 -30.8400 -13.2317 -13.2265 -12.9029 -12.8987 -12.5452 -12.5278 -12.3036 -12.2806 -12.2397 -12.1948 -11.1355 -11.1330 -10.5682 -10.5065 -10.4001 -10.3458 -9.9275 -9.9270 -2.5683 -2.5639 -2.4064 -2.4019 0.5192 0.5285 0.5521 0.5643 1.1706 1.1755 2.3358 2.3667 2.4663 2.4948 2.7842 2.7848 3.1946 3.1993 4.5514 4.5591 4.6159 4.6239 4.7202 4.7228 4.8071 4.8094 5.1831 5.1910 5.2770 5.2821 5.5760 5.5781 5.9207 5.9289 5.9289 5.9359 10.2203 10.2232 11.0212 11.0236 13.6687 13.7908 13.8765 13.9220 14.1506 14.2205 14.2223 14.2574 k = 0.3333 0.5774 0.4442 ( 3774 PWs) bands (ev): -30.8400 -30.8400 -13.2354 -13.2315 -12.9091 -12.9084 -12.5439 -12.5253 -12.3039 -12.2774 -12.2294 -12.1820 -11.1063 -11.1036 -10.5765 -10.5156 -10.4084 -10.3549 -9.9491 -9.9486 -2.5659 -2.5617 -2.4030 -2.3987 0.5318 0.5417 0.5643 0.5772 1.1871 1.1920 2.3354 2.3670 2.4643 2.4934 2.7850 2.7858 3.1899 3.1945 4.5366 4.5444 4.6102 4.6184 4.6884 4.6906 4.8042 4.8062 5.1758 5.1835 5.2745 5.2795 5.5979 5.6000 5.9120 5.9201 5.9214 5.9285 10.2072 10.2102 11.0073 11.0098 13.6919 13.8063 13.8860 13.9245 14.2045 14.2674 14.2816 14.3101 k = 0.3333 0.5774 0.4595 ( 3774 PWs) bands (ev): -30.8400 -30.8400 -13.2405 -13.2383 -12.9204 -12.9173 -12.5418 -12.5224 -12.3013 -12.2705 -12.2164 -12.1661 -11.0774 -11.0746 -10.5861 -10.5261 -10.4179 -10.3653 -9.9711 -9.9706 -2.5633 -2.5592 -2.3995 -2.3953 0.5445 0.5552 0.5767 0.5905 1.2043 1.2094 2.3344 2.3667 2.4618 2.4915 2.7856 2.7865 3.1855 3.1900 4.5208 4.5285 4.6025 4.6108 4.6539 4.6557 4.8021 4.8038 5.1706 5.1782 5.2738 5.2788 5.6204 5.6224 5.9025 5.9106 5.9133 5.9204 10.1937 10.1967 10.9932 10.9958 13.7135 13.8207 13.8945 13.9282 14.2631 14.3176 14.3455 14.3672 k = 0.3333 0.5774 0.4748 ( 3780 PWs) bands (ev): -30.8400 -30.8400 -13.2470 -13.2466 -12.9342 -12.9271 -12.5393 -12.5196 -12.2956 -12.2598 -12.2007 -12.1472 -11.0492 -11.0462 -10.5967 -10.5380 -10.4285 -10.3770 -9.9933 -9.9928 -2.5606 -2.5567 -2.3958 -2.3918 0.5572 0.5690 0.5890 0.6041 1.2223 1.2274 2.3328 2.3657 2.4590 2.4891 2.7860 2.7871 3.1815 3.1860 4.5040 4.5117 4.5927 4.6012 4.6173 4.6186 4.8005 4.8021 5.1678 5.1752 5.2752 5.2801 5.6432 5.6451 5.8923 5.9004 5.9044 5.9115 10.1799 10.1828 10.9790 10.9816 13.7337 13.8344 13.9029 13.9332 14.3249 14.3721 14.4114 14.4277 Writing output data file CaxAsO3x2.save init_run : 2.60s CPU 13.58s WALL ( 1 calls) electrons : 1288.54s CPU 1303.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.40s CPU 1.57s WALL ( 1 calls) Called by electrons: c_bands : 1288.51s CPU 1303.39s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.82s WALL ( 1 calls) v_h : 0.03s CPU 0.03s WALL ( 1 calls) v_xc : 0.05s CPU 0.57s WALL ( 1 calls) newd : 0.25s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 310 calls) cegterg : 1228.93s CPU 1239.55s WALL ( 972 calls) Called by sum_band: Called by *egterg: h_psi : 362.80s CPU 374.73s WALL ( 17800 calls) s_psi : 39.64s CPU 40.37s WALL ( 17800 calls) g_psi : 1.07s CPU 1.08s WALL ( 16518 calls) cdiaghg : 627.08s CPU 625.16s WALL ( 16828 calls) cegterg:over : 110.44s CPU 107.39s WALL ( 16518 calls) cegterg:upda : 25.57s CPU 29.89s WALL ( 16518 calls) cegterg:last : 22.25s CPU 23.30s WALL ( 2798 calls) Called by h_psi: h_psi:vloc : 269.15s CPU 278.74s WALL ( 17800 calls) h_psi:vnl : 93.25s CPU 94.90s WALL ( 17800 calls) add_vuspsi : 28.73s CPU 34.11s WALL ( 17800 calls) General routines calbec : 64.45s CPU 60.63s WALL ( 17800 calls) fft : 0.44s CPU 1.49s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 252.71s CPU 259.15s WALL ( 2063924 calls) interpolate : 0.19s CPU 0.20s WALL ( 4 calls) davcio : 0.03s CPU 4.18s WALL ( 620 calls) Parallel routines fft_scatter : 170.29s CPU 174.13s WALL ( 2063947 calls) PWSCF : 22m40.17s CPU 24m22.08s WALL This run was terminated on: 13:34:30 11Nov2015 =------------------------------------------------------------------------------= JOB DONE. 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