Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 20:29:21 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./HgxAsO3x2.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 66 29 8 2726 819 128 Max 67 30 9 2733 836 135 Sum 2407 1075 313 98299 29807 4739 bravais-lattice index = 14 lattice parameter (alat) = 9.1655 a.u. unit-cell volume = 685.3899 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.165549 celldm(2)= 1.000000 celldm(3)= 1.027855 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 1.027855 ) 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 0.972900 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /users/gautes/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 O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) As 5.00 74.92160 As( 1.00) O 6.00 15.99940 O( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 8) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 8) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 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 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 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -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 -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 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 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 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 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 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 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 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 -6 -5 180 deg rotation - cart. axis [0,1,0] 3C2' 5 6 -2 180 deg rotation - cryst. axis [1,-1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 -12 -11 inv. 180 deg rotation - cart. axis [0,1,0] 3s_v 11 12 -8 inv. 180 deg rotation - cryst. axis [1,-1,0] Cartesian axes number of k points= 313 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0131579 0.0075967 -0.0000000), wk = 0.0031949 k( 3) = ( 0.0263158 0.0151934 -0.0000000), wk = 0.0031949 k( 4) = ( 0.0394737 0.0227901 -0.0000000), wk = 0.0031949 k( 5) = ( 0.0526316 0.0303869 -0.0000000), wk = 0.0031949 k( 6) = ( 0.0657895 0.0379836 -0.0000000), wk = 0.0031949 k( 7) = ( 0.0789474 0.0455803 -0.0000000), wk = 0.0031949 k( 8) = ( 0.0921053 0.0531770 -0.0000000), wk = 0.0031949 k( 9) = ( 0.1052632 0.0607737 -0.0000000), wk = 0.0031949 k( 10) = ( 0.1184210 0.0683704 -0.0000000), wk = 0.0031949 k( 11) = ( 0.1315790 0.0759671 -0.0000000), wk = 0.0031949 k( 12) = ( 0.1447368 0.0835639 -0.0000000), wk = 0.0031949 k( 13) = ( 0.1578947 0.0911606 -0.0000000), wk = 0.0031949 k( 14) = ( 0.1710526 0.0987573 -0.0000000), wk = 0.0031949 k( 15) = ( 0.1842105 0.1063540 -0.0000000), wk = 0.0031949 k( 16) = ( 0.1973684 0.1139507 -0.0000000), wk = 0.0031949 k( 17) = ( 0.2105263 0.1215474 -0.0000000), wk = 0.0031949 k( 18) = ( 0.2236842 0.1291441 -0.0000000), wk = 0.0031949 k( 19) = ( 0.2368421 0.1367409 -0.0000000), wk = 0.0031949 k( 20) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0031949 k( 21) = ( 0.2631579 0.1519343 -0.0000000), wk = 0.0031949 k( 22) = ( 0.2763158 0.1595310 -0.0000000), wk = 0.0031949 k( 23) = ( 0.2894737 0.1671277 -0.0000000), wk = 0.0031949 k( 24) = ( 0.3026316 0.1747244 -0.0000000), wk = 0.0031949 k( 25) = ( 0.3157895 0.1823211 -0.0000000), wk = 0.0031949 k( 26) = ( 0.3289474 0.1899179 -0.0000000), wk = 0.0031949 k( 27) = ( 0.3421053 0.1975146 -0.0000000), wk = 0.0031949 k( 28) = ( 0.3552632 0.2051113 -0.0000000), wk = 0.0031949 k( 29) = ( 0.3684211 0.2127080 -0.0000000), wk = 0.0031949 k( 30) = ( 0.3815789 0.2203047 -0.0000000), wk = 0.0031949 k( 31) = ( 0.3947368 0.2279014 -0.0000000), wk = 0.0031949 k( 32) = ( 0.4078947 0.2354981 -0.0000000), wk = 0.0031949 k( 33) = ( 0.4210526 0.2430948 -0.0000000), wk = 0.0031949 k( 34) = ( 0.4342105 0.2506916 -0.0000000), wk = 0.0031949 k( 35) = ( 0.4473684 0.2582883 -0.0000000), wk = 0.0031949 k( 36) = ( 0.4605263 0.2658850 -0.0000000), wk = 0.0031949 k( 37) = ( 0.4736842 0.2734817 -0.0000000), wk = 0.0031949 k( 38) = ( 0.4868421 0.2810784 -0.0000000), wk = 0.0031949 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031949 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031949 k( 41) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0031949 k( 42) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0031949 k( 43) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0031949 k( 44) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0031949 k( 45) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0031949 k( 46) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0031949 k( 47) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0031949 k( 48) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0031949 k( 49) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0031949 k( 50) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0031949 k( 51) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0031949 k( 52) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0031949 k( 53) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0031949 k( 54) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0031949 k( 55) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0031949 k( 56) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0031949 k( 57) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0031949 k( 58) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0031949 k( 59) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0031949 k( 60) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0031949 k( 61) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0031949 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031949 k( 63) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031949 k( 64) = ( 0.3257576 0.5642287 -0.0000000), wk = 0.0031949 k( 65) = ( 0.3181818 0.5511071 -0.0000000), wk = 0.0031949 k( 66) = ( 0.3106061 0.5379855 -0.0000000), wk = 0.0031949 k( 67) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0031949 k( 68) = ( 0.2954545 0.5117423 -0.0000000), wk = 0.0031949 k( 69) = ( 0.2878788 0.4986207 -0.0000000), wk = 0.0031949 k( 70) = ( 0.2803030 0.4854991 -0.0000000), wk = 0.0031949 k( 71) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0031949 k( 72) = ( 0.2651515 0.4592559 -0.0000000), wk = 0.0031949 k( 73) = ( 0.2575758 0.4461343 -0.0000000), wk = 0.0031949 k( 74) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0031949 k( 75) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0031949 k( 76) = ( 0.2348485 0.4067695 -0.0000000), wk = 0.0031949 k( 77) = ( 0.2272727 0.3936479 -0.0000000), wk = 0.0031949 k( 78) = ( 0.2196970 0.3805263 -0.0000000), wk = 0.0031949 k( 79) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0031949 k( 80) = ( 0.2045454 0.3542831 -0.0000000), wk = 0.0031949 k( 81) = ( 0.1969697 0.3411615 -0.0000000), wk = 0.0031949 k( 82) = ( 0.1893939 0.3280399 -0.0000000), wk = 0.0031949 k( 83) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0031949 k( 84) = ( 0.1742424 0.3017967 -0.0000000), wk = 0.0031949 k( 85) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0031949 k( 86) = ( 0.1590909 0.2755535 -0.0000000), wk = 0.0031949 k( 87) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0031949 k( 88) = ( 0.1439394 0.2493103 -0.0000000), wk = 0.0031949 k( 89) = ( 0.1363636 0.2361888 -0.0000000), wk = 0.0031949 k( 90) = ( 0.1287879 0.2230672 -0.0000000), wk = 0.0031949 k( 91) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0031949 k( 92) = ( 0.1136364 0.1968239 -0.0000000), wk = 0.0031949 k( 93) = ( 0.1060606 0.1837024 -0.0000000), wk = 0.0031949 k( 94) = ( 0.0984848 0.1705808 -0.0000000), wk = 0.0031949 k( 95) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0031949 k( 96) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0031949 k( 97) = ( 0.0757576 0.1312160 -0.0000000), wk = 0.0031949 k( 98) = ( 0.0681818 0.1180944 -0.0000000), wk = 0.0031949 k( 99) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0031949 k( 100) = ( 0.0530303 0.0918512 -0.0000000), wk = 0.0031949 k( 101) = ( 0.0454546 0.0787296 -0.0000000), wk = 0.0031949 k( 102) = ( 0.0378788 0.0656080 -0.0000000), wk = 0.0031949 k( 103) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0031949 k( 104) = ( 0.0227273 0.0393648 -0.0000000), wk = 0.0031949 k( 105) = ( 0.0151515 0.0262432 -0.0000000), wk = 0.0031949 k( 106) = ( 0.0075758 0.0131216 -0.0000000), wk = 0.0031949 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 109) = ( 0.0000000 0.0000000 0.0152016), wk = 0.0031949 k( 110) = ( 0.0000000 0.0000000 0.0304031), wk = 0.0031949 k( 111) = ( 0.0000000 0.0000000 0.0456047), wk = 0.0031949 k( 112) = ( 0.0000000 0.0000000 0.0608063), wk = 0.0031949 k( 113) = ( 0.0000000 0.0000000 0.0760078), wk = 0.0031949 k( 114) = ( 0.0000000 0.0000000 0.0912094), wk = 0.0031949 k( 115) = ( 0.0000000 0.0000000 0.1064110), wk = 0.0031949 k( 116) = ( 0.0000000 0.0000000 0.1216125), wk = 0.0031949 k( 117) = ( 0.0000000 0.0000000 0.1368141), wk = 0.0031949 k( 118) = ( 0.0000000 0.0000000 0.1520157), wk = 0.0031949 k( 119) = ( 0.0000000 0.0000000 0.1672172), wk = 0.0031949 k( 120) = ( 0.0000000 0.0000000 0.1824188), wk = 0.0031949 k( 121) = ( 0.0000000 0.0000000 0.1976204), wk = 0.0031949 k( 122) = ( 0.0000000 0.0000000 0.2128219), wk = 0.0031949 k( 123) = ( 0.0000000 0.0000000 0.2280235), wk = 0.0031949 k( 124) = ( 0.0000000 0.0000000 0.2432251), wk = 0.0031949 k( 125) = ( 0.0000000 0.0000000 0.2584266), wk = 0.0031949 k( 126) = ( 0.0000000 0.0000000 0.2736282), wk = 0.0031949 k( 127) = ( 0.0000000 0.0000000 0.2888298), wk = 0.0031949 k( 128) = ( 0.0000000 0.0000000 0.3040314), wk = 0.0031949 k( 129) = ( 0.0000000 0.0000000 0.3192329), wk = 0.0031949 k( 130) = ( 0.0000000 0.0000000 0.3344345), wk = 0.0031949 k( 131) = ( 0.0000000 0.0000000 0.3496361), wk = 0.0031949 k( 132) = ( 0.0000000 0.0000000 0.3648376), wk = 0.0031949 k( 133) = ( 0.0000000 0.0000000 0.3800392), wk = 0.0031949 k( 134) = ( 0.0000000 0.0000000 0.3952408), wk = 0.0031949 k( 135) = ( 0.0000000 0.0000000 0.4104423), wk = 0.0031949 k( 136) = ( 0.0000000 0.0000000 0.4256439), wk = 0.0031949 k( 137) = ( 0.0000000 0.0000000 0.4408455), wk = 0.0031949 k( 138) = ( 0.0000000 0.0000000 0.4560470), wk = 0.0031949 k( 139) = ( 0.0000000 0.0000000 0.4712486), wk = 0.0031949 k( 140) = ( 0.0000000 0.0000000 0.4864502), wk = 0.0031949 k( 141) = ( 0.0000000 0.0000000 0.4864502), wk = 0.0031949 k( 142) = ( 0.0131579 0.0075967 0.4864502), wk = 0.0031949 k( 143) = ( 0.0263158 0.0151934 0.4864502), wk = 0.0031949 k( 144) = ( 0.0394737 0.0227901 0.4864502), wk = 0.0031949 k( 145) = ( 0.0526316 0.0303869 0.4864502), wk = 0.0031949 k( 146) = ( 0.0657895 0.0379836 0.4864502), wk = 0.0031949 k( 147) = ( 0.0789474 0.0455803 0.4864502), wk = 0.0031949 k( 148) = ( 0.0921053 0.0531770 0.4864502), wk = 0.0031949 k( 149) = ( 0.1052632 0.0607737 0.4864502), wk = 0.0031949 k( 150) = ( 0.1184210 0.0683704 0.4864502), wk = 0.0031949 k( 151) = ( 0.1315790 0.0759671 0.4864502), wk = 0.0031949 k( 152) = ( 0.1447368 0.0835639 0.4864502), wk = 0.0031949 k( 153) = ( 0.1578947 0.0911606 0.4864502), wk = 0.0031949 k( 154) = ( 0.1710526 0.0987573 0.4864502), wk = 0.0031949 k( 155) = ( 0.1842105 0.1063540 0.4864502), wk = 0.0031949 k( 156) = ( 0.1973684 0.1139507 0.4864502), wk = 0.0031949 k( 157) = ( 0.2105263 0.1215474 0.4864502), wk = 0.0031949 k( 158) = ( 0.2236842 0.1291441 0.4864502), wk = 0.0031949 k( 159) = ( 0.2368421 0.1367409 0.4864502), wk = 0.0031949 k( 160) = ( 0.2500000 0.1443376 0.4864502), wk = 0.0031949 k( 161) = ( 0.2631579 0.1519343 0.4864502), wk = 0.0031949 k( 162) = ( 0.2763158 0.1595310 0.4864502), wk = 0.0031949 k( 163) = ( 0.2894737 0.1671277 0.4864502), wk = 0.0031949 k( 164) = ( 0.3026316 0.1747244 0.4864502), wk = 0.0031949 k( 165) = ( 0.3157895 0.1823211 0.4864502), wk = 0.0031949 k( 166) = ( 0.3289474 0.1899179 0.4864502), wk = 0.0031949 k( 167) = ( 0.3421053 0.1975146 0.4864502), wk = 0.0031949 k( 168) = ( 0.3552632 0.2051113 0.4864502), wk = 0.0031949 k( 169) = ( 0.3684211 0.2127080 0.4864502), wk = 0.0031949 k( 170) = ( 0.3815789 0.2203047 0.4864502), wk = 0.0031949 k( 171) = ( 0.3947368 0.2279014 0.4864502), wk = 0.0031949 k( 172) = ( 0.4078947 0.2354981 0.4864502), wk = 0.0031949 k( 173) = ( 0.4210526 0.2430948 0.4864502), wk = 0.0031949 k( 174) = ( 0.4342105 0.2506916 0.4864502), wk = 0.0031949 k( 175) = ( 0.4473684 0.2582883 0.4864502), wk = 0.0031949 k( 176) = ( 0.4605263 0.2658850 0.4864502), wk = 0.0031949 k( 177) = ( 0.4736842 0.2734817 0.4864502), wk = 0.0031949 k( 178) = ( 0.4868421 0.2810784 0.4864502), wk = 0.0031949 k( 179) = ( 0.5000000 0.2886751 0.4864502), wk = 0.0031949 k( 180) = ( 0.5000000 0.2886751 0.4864502), wk = 0.0031949 k( 181) = ( 0.4924242 0.3017967 0.4864502), wk = 0.0031949 k( 182) = ( 0.4848485 0.3149183 0.4864502), wk = 0.0031949 k( 183) = ( 0.4772727 0.3280399 0.4864502), wk = 0.0031949 k( 184) = ( 0.4696970 0.3411615 0.4864502), wk = 0.0031949 k( 185) = ( 0.4621212 0.3542831 0.4864502), wk = 0.0031949 k( 186) = ( 0.4545455 0.3674047 0.4864502), wk = 0.0031949 k( 187) = ( 0.4469697 0.3805263 0.4864502), wk = 0.0031949 k( 188) = ( 0.4393939 0.3936479 0.4864502), wk = 0.0031949 k( 189) = ( 0.4318182 0.4067695 0.4864502), wk = 0.0031949 k( 190) = ( 0.4242424 0.4198911 0.4864502), wk = 0.0031949 k( 191) = ( 0.4166667 0.4330127 0.4864502), wk = 0.0031949 k( 192) = ( 0.4090909 0.4461343 0.4864502), wk = 0.0031949 k( 193) = ( 0.4015151 0.4592559 0.4864502), wk = 0.0031949 k( 194) = ( 0.3939394 0.4723775 0.4864502), wk = 0.0031949 k( 195) = ( 0.3863636 0.4854991 0.4864502), wk = 0.0031949 k( 196) = ( 0.3787879 0.4986207 0.4864502), wk = 0.0031949 k( 197) = ( 0.3712121 0.5117423 0.4864502), wk = 0.0031949 k( 198) = ( 0.3636364 0.5248639 0.4864502), wk = 0.0031949 k( 199) = ( 0.3560606 0.5379855 0.4864502), wk = 0.0031949 k( 200) = ( 0.3484849 0.5511071 0.4864502), wk = 0.0031949 k( 201) = ( 0.3409091 0.5642287 0.4864502), wk = 0.0031949 k( 202) = ( 0.3333333 0.5773503 0.4864502), wk = 0.0031949 k( 203) = ( 0.3333333 0.5773503 0.4864502), wk = 0.0031949 k( 204) = ( 0.3257576 0.5642287 0.4864502), wk = 0.0031949 k( 205) = ( 0.3181818 0.5511071 0.4864502), wk = 0.0031949 k( 206) = ( 0.3106061 0.5379855 0.4864502), wk = 0.0031949 k( 207) = ( 0.3030303 0.5248639 0.4864502), wk = 0.0031949 k( 208) = ( 0.2954545 0.5117423 0.4864502), wk = 0.0031949 k( 209) = ( 0.2878788 0.4986207 0.4864502), wk = 0.0031949 k( 210) = ( 0.2803030 0.4854991 0.4864502), wk = 0.0031949 k( 211) = ( 0.2727273 0.4723775 0.4864502), wk = 0.0031949 k( 212) = ( 0.2651515 0.4592559 0.4864502), wk = 0.0031949 k( 213) = ( 0.2575758 0.4461343 0.4864502), wk = 0.0031949 k( 214) = ( 0.2500000 0.4330127 0.4864502), wk = 0.0031949 k( 215) = ( 0.2424242 0.4198911 0.4864502), wk = 0.0031949 k( 216) = ( 0.2348485 0.4067695 0.4864502), wk = 0.0031949 k( 217) = ( 0.2272727 0.3936479 0.4864502), wk = 0.0031949 k( 218) = ( 0.2196970 0.3805263 0.4864502), wk = 0.0031949 k( 219) = ( 0.2121212 0.3674047 0.4864502), wk = 0.0031949 k( 220) = ( 0.2045454 0.3542831 0.4864502), wk = 0.0031949 k( 221) = ( 0.1969697 0.3411615 0.4864502), wk = 0.0031949 k( 222) = ( 0.1893939 0.3280399 0.4864502), wk = 0.0031949 k( 223) = ( 0.1818182 0.3149183 0.4864502), wk = 0.0031949 k( 224) = ( 0.1742424 0.3017967 0.4864502), wk = 0.0031949 k( 225) = ( 0.1666667 0.2886751 0.4864502), wk = 0.0031949 k( 226) = ( 0.1590909 0.2755535 0.4864502), wk = 0.0031949 k( 227) = ( 0.1515151 0.2624319 0.4864502), wk = 0.0031949 k( 228) = ( 0.1439394 0.2493103 0.4864502), wk = 0.0031949 k( 229) = ( 0.1363636 0.2361888 0.4864502), wk = 0.0031949 k( 230) = ( 0.1287879 0.2230672 0.4864502), wk = 0.0031949 k( 231) = ( 0.1212121 0.2099456 0.4864502), wk = 0.0031949 k( 232) = ( 0.1136364 0.1968239 0.4864502), wk = 0.0031949 k( 233) = ( 0.1060606 0.1837024 0.4864502), wk = 0.0031949 k( 234) = ( 0.0984848 0.1705808 0.4864502), wk = 0.0031949 k( 235) = ( 0.0909091 0.1574592 0.4864502), wk = 0.0031949 k( 236) = ( 0.0833333 0.1443376 0.4864502), wk = 0.0031949 k( 237) = ( 0.0757576 0.1312160 0.4864502), wk = 0.0031949 k( 238) = ( 0.0681818 0.1180944 0.4864502), wk = 0.0031949 k( 239) = ( 0.0606061 0.1049728 0.4864502), wk = 0.0031949 k( 240) = ( 0.0530303 0.0918512 0.4864502), wk = 0.0031949 k( 241) = ( 0.0454546 0.0787296 0.4864502), wk = 0.0031949 k( 242) = ( 0.0378788 0.0656080 0.4864502), wk = 0.0031949 k( 243) = ( 0.0303030 0.0524864 0.4864502), wk = 0.0031949 k( 244) = ( 0.0227273 0.0393648 0.4864502), wk = 0.0031949 k( 245) = ( 0.0151515 0.0262432 0.4864502), wk = 0.0031949 k( 246) = ( 0.0075758 0.0131216 0.4864502), wk = 0.0031949 k( 247) = ( 0.0000000 0.0000000 0.4864502), wk = 0.0031949 k( 248) = ( 0.5000000 0.2886751 0.4864502), wk = 0.0031949 k( 249) = ( 0.5000000 0.2886751 0.4712486), wk = 0.0031949 k( 250) = ( 0.5000000 0.2886751 0.4560470), wk = 0.0031949 k( 251) = ( 0.5000000 0.2886751 0.4408455), wk = 0.0031949 k( 252) = ( 0.5000000 0.2886751 0.4256439), wk = 0.0031949 k( 253) = ( 0.5000000 0.2886751 0.4104423), wk = 0.0031949 k( 254) = ( 0.5000000 0.2886751 0.3952408), wk = 0.0031949 k( 255) = ( 0.5000000 0.2886751 0.3800392), wk = 0.0031949 k( 256) = ( 0.5000000 0.2886751 0.3648376), wk = 0.0031949 k( 257) = ( 0.5000000 0.2886751 0.3496361), wk = 0.0031949 k( 258) = ( 0.5000000 0.2886751 0.3344345), wk = 0.0031949 k( 259) = ( 0.5000000 0.2886751 0.3192329), wk = 0.0031949 k( 260) = ( 0.5000000 0.2886751 0.3040314), wk = 0.0031949 k( 261) = ( 0.5000000 0.2886751 0.2888298), wk = 0.0031949 k( 262) = ( 0.5000000 0.2886751 0.2736282), wk = 0.0031949 k( 263) = ( 0.5000000 0.2886751 0.2584266), wk = 0.0031949 k( 264) = ( 0.5000000 0.2886751 0.2432251), wk = 0.0031949 k( 265) = ( 0.5000000 0.2886751 0.2280235), wk = 0.0031949 k( 266) = ( 0.5000000 0.2886751 0.2128219), wk = 0.0031949 k( 267) = ( 0.5000000 0.2886751 0.1976204), wk = 0.0031949 k( 268) = ( 0.5000000 0.2886751 0.1824188), wk = 0.0031949 k( 269) = ( 0.5000000 0.2886751 0.1672172), wk = 0.0031949 k( 270) = ( 0.5000000 0.2886751 0.1520157), wk = 0.0031949 k( 271) = ( 0.5000000 0.2886751 0.1368141), wk = 0.0031949 k( 272) = ( 0.5000000 0.2886751 0.1216125), wk = 0.0031949 k( 273) = ( 0.5000000 0.2886751 0.1064110), wk = 0.0031949 k( 274) = ( 0.5000000 0.2886751 0.0912094), wk = 0.0031949 k( 275) = ( 0.5000000 0.2886751 0.0760078), wk = 0.0031949 k( 276) = ( 0.5000000 0.2886751 0.0608063), wk = 0.0031949 k( 277) = ( 0.5000000 0.2886751 0.0456047), wk = 0.0031949 k( 278) = ( 0.5000000 0.2886751 0.0304031), wk = 0.0031949 k( 279) = ( 0.5000000 0.2886751 0.0152016), wk = 0.0031949 k( 280) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031949 k( 281) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031949 k( 282) = ( 0.3333333 0.5773503 0.0152016), wk = 0.0031949 k( 283) = ( 0.3333333 0.5773503 0.0304031), wk = 0.0031949 k( 284) = ( 0.3333333 0.5773503 0.0456047), wk = 0.0031949 k( 285) = ( 0.3333333 0.5773503 0.0608063), wk = 0.0031949 k( 286) = ( 0.3333333 0.5773503 0.0760078), wk = 0.0031949 k( 287) = ( 0.3333333 0.5773503 0.0912094), wk = 0.0031949 k( 288) = ( 0.3333333 0.5773503 0.1064110), wk = 0.0031949 k( 289) = ( 0.3333333 0.5773503 0.1216125), wk = 0.0031949 k( 290) = ( 0.3333333 0.5773503 0.1368141), wk = 0.0031949 k( 291) = ( 0.3333333 0.5773503 0.1520157), wk = 0.0031949 k( 292) = ( 0.3333333 0.5773503 0.1672172), wk = 0.0031949 k( 293) = ( 0.3333333 0.5773503 0.1824188), wk = 0.0031949 k( 294) = ( 0.3333333 0.5773503 0.1976204), wk = 0.0031949 k( 295) = ( 0.3333333 0.5773503 0.2128219), wk = 0.0031949 k( 296) = ( 0.3333333 0.5773503 0.2280235), wk = 0.0031949 k( 297) = ( 0.3333333 0.5773503 0.2432251), wk = 0.0031949 k( 298) = ( 0.3333333 0.5773503 0.2584266), wk = 0.0031949 k( 299) = ( 0.3333333 0.5773503 0.2736282), wk = 0.0031949 k( 300) = ( 0.3333333 0.5773503 0.2888298), wk = 0.0031949 k( 301) = ( 0.3333333 0.5773503 0.3040314), wk = 0.0031949 k( 302) = ( 0.3333333 0.5773503 0.3192329), wk = 0.0031949 k( 303) = ( 0.3333333 0.5773503 0.3344345), wk = 0.0031949 k( 304) = ( 0.3333333 0.5773503 0.3496361), wk = 0.0031949 k( 305) = ( 0.3333333 0.5773503 0.3648376), wk = 0.0031949 k( 306) = ( 0.3333333 0.5773503 0.3800392), wk = 0.0031949 k( 307) = ( 0.3333333 0.5773503 0.3952408), wk = 0.0031949 k( 308) = ( 0.3333333 0.5773503 0.4104423), wk = 0.0031949 k( 309) = ( 0.3333333 0.5773503 0.4256439), wk = 0.0031949 k( 310) = ( 0.3333333 0.5773503 0.4408455), wk = 0.0031949 k( 311) = ( 0.3333333 0.5773503 0.4560470), wk = 0.0031949 k( 312) = ( 0.3333333 0.5773503 0.4712486), wk = 0.0031949 k( 313) = ( 0.3333333 0.5773503 0.4864502), wk = 0.0031949 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0131579 -0.0000000 -0.0000000), wk = 0.0031949 k( 3) = ( 0.0263158 -0.0000000 -0.0000000), wk = 0.0031949 k( 4) = ( 0.0394737 -0.0000000 0.0000000), wk = 0.0031949 k( 5) = ( 0.0526316 -0.0000000 -0.0000000), wk = 0.0031949 k( 6) = ( 0.0657895 -0.0000000 0.0000000), wk = 0.0031949 k( 7) = ( 0.0789474 -0.0000000 0.0000000), wk = 0.0031949 k( 8) = ( 0.0921053 -0.0000000 -0.0000000), wk = 0.0031949 k( 9) = ( 0.1052632 -0.0000000 -0.0000000), wk = 0.0031949 k( 10) = ( 0.1184210 -0.0000000 0.0000000), wk = 0.0031949 k( 11) = ( 0.1315790 -0.0000000 -0.0000000), wk = 0.0031949 k( 12) = ( 0.1447368 -0.0000000 0.0000000), wk = 0.0031949 k( 13) = ( 0.1578947 -0.0000000 0.0000000), wk = 0.0031949 k( 14) = ( 0.1710526 -0.0000000 -0.0000000), wk = 0.0031949 k( 15) = ( 0.1842105 -0.0000000 -0.0000000), wk = 0.0031949 k( 16) = ( 0.1973684 -0.0000000 -0.0000000), wk = 0.0031949 k( 17) = ( 0.2105263 -0.0000000 -0.0000000), wk = 0.0031949 k( 18) = ( 0.2236842 -0.0000000 0.0000000), wk = 0.0031949 k( 19) = ( 0.2368421 -0.0000000 0.0000000), wk = 0.0031949 k( 20) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0031949 k( 21) = ( 0.2631579 -0.0000000 -0.0000000), wk = 0.0031949 k( 22) = ( 0.2763158 -0.0000000 -0.0000000), wk = 0.0031949 k( 23) = ( 0.2894737 -0.0000000 0.0000000), wk = 0.0031949 k( 24) = ( 0.3026316 -0.0000000 -0.0000000), wk = 0.0031949 k( 25) = ( 0.3157895 -0.0000000 -0.0000000), wk = 0.0031949 k( 26) = ( 0.3289474 -0.0000000 0.0000000), wk = 0.0031949 k( 27) = ( 0.3421053 -0.0000000 -0.0000000), wk = 0.0031949 k( 28) = ( 0.3552632 -0.0000000 -0.0000000), wk = 0.0031949 k( 29) = ( 0.3684211 -0.0000000 0.0000000), wk = 0.0031949 k( 30) = ( 0.3815789 -0.0000000 -0.0000000), wk = 0.0031949 k( 31) = ( 0.3947368 -0.0000000 -0.0000000), wk = 0.0031949 k( 32) = ( 0.4078947 -0.0000000 0.0000000), wk = 0.0031949 k( 33) = ( 0.4210526 -0.0000000 0.0000000), wk = 0.0031949 k( 34) = ( 0.4342105 -0.0000000 -0.0000000), wk = 0.0031949 k( 35) = ( 0.4473684 -0.0000000 0.0000000), wk = 0.0031949 k( 36) = ( 0.4605263 -0.0000000 -0.0000000), wk = 0.0031949 k( 37) = ( 0.4736842 -0.0000000 -0.0000000), wk = 0.0031949 k( 38) = ( 0.4868421 -0.0000000 0.0000000), wk = 0.0031949 k( 39) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031949 k( 40) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031949 k( 41) = ( 0.4924242 0.0151515 0.0000000), wk = 0.0031949 k( 42) = ( 0.4848485 0.0303030 0.0000000), wk = 0.0031949 k( 43) = ( 0.4772727 0.0454545 -0.0000000), wk = 0.0031949 k( 44) = ( 0.4696970 0.0606061 -0.0000000), wk = 0.0031949 k( 45) = ( 0.4621212 0.0757576 -0.0000000), wk = 0.0031949 k( 46) = ( 0.4545455 0.0909091 -0.0000000), wk = 0.0031949 k( 47) = ( 0.4469697 0.1060606 -0.0000000), wk = 0.0031949 k( 48) = ( 0.4393939 0.1212121 0.0000000), wk = 0.0031949 k( 49) = ( 0.4318182 0.1363636 -0.0000000), wk = 0.0031949 k( 50) = ( 0.4242424 0.1515151 -0.0000000), wk = 0.0031949 k( 51) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0031949 k( 52) = ( 0.4090909 0.1818182 -0.0000000), wk = 0.0031949 k( 53) = ( 0.4015151 0.1969697 -0.0000000), wk = 0.0031949 k( 54) = ( 0.3939394 0.2121212 0.0000000), wk = 0.0031949 k( 55) = ( 0.3863636 0.2272727 -0.0000000), wk = 0.0031949 k( 56) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0031949 k( 57) = ( 0.3712121 0.2575758 -0.0000000), wk = 0.0031949 k( 58) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0031949 k( 59) = ( 0.3560606 0.2878788 -0.0000000), wk = 0.0031949 k( 60) = ( 0.3484849 0.3030303 0.0000000), wk = 0.0031949 k( 61) = ( 0.3409091 0.3181818 -0.0000000), wk = 0.0031949 k( 62) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031949 k( 63) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031949 k( 64) = ( 0.3257576 0.3257576 -0.0000000), wk = 0.0031949 k( 65) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0031949 k( 66) = ( 0.3106061 0.3106061 0.0000000), wk = 0.0031949 k( 67) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0031949 k( 68) = ( 0.2954545 0.2954545 0.0000000), wk = 0.0031949 k( 69) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0031949 k( 70) = ( 0.2803030 0.2803030 -0.0000000), wk = 0.0031949 k( 71) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0031949 k( 72) = ( 0.2651515 0.2651515 0.0000000), wk = 0.0031949 k( 73) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0031949 k( 74) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0031949 k( 75) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0031949 k( 76) = ( 0.2348485 0.2348485 -0.0000000), wk = 0.0031949 k( 77) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0031949 k( 78) = ( 0.2196970 0.2196970 -0.0000000), wk = 0.0031949 k( 79) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0031949 k( 80) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0031949 k( 81) = ( 0.1969697 0.1969697 -0.0000000), wk = 0.0031949 k( 82) = ( 0.1893939 0.1893939 -0.0000000), wk = 0.0031949 k( 83) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0031949 k( 84) = ( 0.1742424 0.1742424 -0.0000000), wk = 0.0031949 k( 85) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0031949 k( 86) = ( 0.1590909 0.1590909 -0.0000000), wk = 0.0031949 k( 87) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0031949 k( 88) = ( 0.1439394 0.1439394 -0.0000000), wk = 0.0031949 k( 89) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0031949 k( 90) = ( 0.1287879 0.1287879 -0.0000000), wk = 0.0031949 k( 91) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0031949 k( 92) = ( 0.1136364 0.1136364 -0.0000000), wk = 0.0031949 k( 93) = ( 0.1060606 0.1060606 0.0000000), wk = 0.0031949 k( 94) = ( 0.0984848 0.0984848 -0.0000000), wk = 0.0031949 k( 95) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0031949 k( 96) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0031949 k( 97) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0031949 k( 98) = ( 0.0681818 0.0681818 0.0000000), wk = 0.0031949 k( 99) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0031949 k( 100) = ( 0.0530303 0.0530303 -0.0000000), wk = 0.0031949 k( 101) = ( 0.0454546 0.0454545 0.0000000), wk = 0.0031949 k( 102) = ( 0.0378788 0.0378788 -0.0000000), wk = 0.0031949 k( 103) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0031949 k( 104) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0031949 k( 105) = ( 0.0151515 0.0151515 -0.0000000), wk = 0.0031949 k( 106) = ( 0.0075758 0.0075758 -0.0000000), wk = 0.0031949 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 109) = ( 0.0000000 0.0000000 0.0156250), wk = 0.0031949 k( 110) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0031949 k( 111) = ( 0.0000000 0.0000000 0.0468750), wk = 0.0031949 k( 112) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0031949 k( 113) = ( 0.0000000 0.0000000 0.0781250), wk = 0.0031949 k( 114) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0031949 k( 115) = ( 0.0000000 0.0000000 0.1093750), wk = 0.0031949 k( 116) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0031949 k( 117) = ( 0.0000000 0.0000000 0.1406250), wk = 0.0031949 k( 118) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0031949 k( 119) = ( 0.0000000 0.0000000 0.1718750), wk = 0.0031949 k( 120) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0031949 k( 121) = ( 0.0000000 0.0000000 0.2031250), wk = 0.0031949 k( 122) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0031949 k( 123) = ( 0.0000000 0.0000000 0.2343750), wk = 0.0031949 k( 124) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031949 k( 125) = ( 0.0000000 0.0000000 0.2656250), wk = 0.0031949 k( 126) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0031949 k( 127) = ( 0.0000000 0.0000000 0.2968750), wk = 0.0031949 k( 128) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0031949 k( 129) = ( 0.0000000 0.0000000 0.3281250), wk = 0.0031949 k( 130) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0031949 k( 131) = ( 0.0000000 0.0000000 0.3593750), wk = 0.0031949 k( 132) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0031949 k( 133) = ( 0.0000000 0.0000000 0.3906250), wk = 0.0031949 k( 134) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0031949 k( 135) = ( 0.0000000 0.0000000 0.4218750), wk = 0.0031949 k( 136) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0031949 k( 137) = ( 0.0000000 0.0000000 0.4531250), wk = 0.0031949 k( 138) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0031949 k( 139) = ( 0.0000000 0.0000000 0.4843750), wk = 0.0031949 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031949 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031949 k( 142) = ( 0.0131579 -0.0000000 0.5000000), wk = 0.0031949 k( 143) = ( 0.0263158 -0.0000000 0.5000000), wk = 0.0031949 k( 144) = ( 0.0394737 -0.0000000 0.5000000), wk = 0.0031949 k( 145) = ( 0.0526316 -0.0000000 0.5000000), wk = 0.0031949 k( 146) = ( 0.0657895 -0.0000000 0.5000000), wk = 0.0031949 k( 147) = ( 0.0789474 -0.0000000 0.5000000), wk = 0.0031949 k( 148) = ( 0.0921053 -0.0000000 0.5000000), wk = 0.0031949 k( 149) = ( 0.1052632 -0.0000000 0.5000000), wk = 0.0031949 k( 150) = ( 0.1184210 -0.0000000 0.5000000), wk = 0.0031949 k( 151) = ( 0.1315790 -0.0000000 0.5000000), wk = 0.0031949 k( 152) = ( 0.1447368 -0.0000000 0.5000000), wk = 0.0031949 k( 153) = ( 0.1578947 -0.0000000 0.5000000), wk = 0.0031949 k( 154) = ( 0.1710526 -0.0000000 0.5000000), wk = 0.0031949 k( 155) = ( 0.1842105 -0.0000000 0.5000000), wk = 0.0031949 k( 156) = ( 0.1973684 -0.0000000 0.5000000), wk = 0.0031949 k( 157) = ( 0.2105263 -0.0000000 0.5000000), wk = 0.0031949 k( 158) = ( 0.2236842 -0.0000000 0.5000000), wk = 0.0031949 k( 159) = ( 0.2368421 -0.0000000 0.5000000), wk = 0.0031949 k( 160) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0031949 k( 161) = ( 0.2631579 -0.0000000 0.5000000), wk = 0.0031949 k( 162) = ( 0.2763158 -0.0000000 0.5000000), wk = 0.0031949 k( 163) = ( 0.2894737 -0.0000000 0.5000000), wk = 0.0031949 k( 164) = ( 0.3026316 -0.0000000 0.5000000), wk = 0.0031949 k( 165) = ( 0.3157895 -0.0000000 0.5000000), wk = 0.0031949 k( 166) = ( 0.3289474 -0.0000000 0.5000000), wk = 0.0031949 k( 167) = ( 0.3421053 -0.0000000 0.5000000), wk = 0.0031949 k( 168) = ( 0.3552632 -0.0000000 0.5000000), wk = 0.0031949 k( 169) = ( 0.3684211 -0.0000000 0.5000000), wk = 0.0031949 k( 170) = ( 0.3815789 -0.0000000 0.5000000), wk = 0.0031949 k( 171) = ( 0.3947368 -0.0000000 0.5000000), wk = 0.0031949 k( 172) = ( 0.4078947 -0.0000000 0.5000000), wk = 0.0031949 k( 173) = ( 0.4210526 -0.0000000 0.5000000), wk = 0.0031949 k( 174) = ( 0.4342105 -0.0000000 0.5000000), wk = 0.0031949 k( 175) = ( 0.4473684 -0.0000000 0.5000000), wk = 0.0031949 k( 176) = ( 0.4605263 -0.0000000 0.5000000), wk = 0.0031949 k( 177) = ( 0.4736842 -0.0000000 0.5000000), wk = 0.0031949 k( 178) = ( 0.4868421 -0.0000000 0.5000000), wk = 0.0031949 k( 179) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031949 k( 180) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031949 k( 181) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0031949 k( 182) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0031949 k( 183) = ( 0.4772727 0.0454545 0.5000000), wk = 0.0031949 k( 184) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0031949 k( 185) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0031949 k( 186) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0031949 k( 187) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0031949 k( 188) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0031949 k( 189) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0031949 k( 190) = ( 0.4242424 0.1515151 0.5000000), wk = 0.0031949 k( 191) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0031949 k( 192) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0031949 k( 193) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0031949 k( 194) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0031949 k( 195) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0031949 k( 196) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0031949 k( 197) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0031949 k( 198) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0031949 k( 199) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0031949 k( 200) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0031949 k( 201) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0031949 k( 202) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031949 k( 203) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031949 k( 204) = ( 0.3257576 0.3257576 0.5000000), wk = 0.0031949 k( 205) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0031949 k( 206) = ( 0.3106061 0.3106061 0.5000000), wk = 0.0031949 k( 207) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0031949 k( 208) = ( 0.2954545 0.2954545 0.5000000), wk = 0.0031949 k( 209) = ( 0.2878788 0.2878788 0.5000000), wk = 0.0031949 k( 210) = ( 0.2803030 0.2803030 0.5000000), wk = 0.0031949 k( 211) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0031949 k( 212) = ( 0.2651515 0.2651515 0.5000000), wk = 0.0031949 k( 213) = ( 0.2575758 0.2575758 0.5000000), wk = 0.0031949 k( 214) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0031949 k( 215) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0031949 k( 216) = ( 0.2348485 0.2348485 0.5000000), wk = 0.0031949 k( 217) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0031949 k( 218) = ( 0.2196970 0.2196970 0.5000000), wk = 0.0031949 k( 219) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0031949 k( 220) = ( 0.2045454 0.2045454 0.5000000), wk = 0.0031949 k( 221) = ( 0.1969697 0.1969697 0.5000000), wk = 0.0031949 k( 222) = ( 0.1893939 0.1893939 0.5000000), wk = 0.0031949 k( 223) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0031949 k( 224) = ( 0.1742424 0.1742424 0.5000000), wk = 0.0031949 k( 225) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0031949 k( 226) = ( 0.1590909 0.1590909 0.5000000), wk = 0.0031949 k( 227) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0031949 k( 228) = ( 0.1439394 0.1439394 0.5000000), wk = 0.0031949 k( 229) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0031949 k( 230) = ( 0.1287879 0.1287879 0.5000000), wk = 0.0031949 k( 231) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0031949 k( 232) = ( 0.1136364 0.1136364 0.5000000), wk = 0.0031949 k( 233) = ( 0.1060606 0.1060606 0.5000000), wk = 0.0031949 k( 234) = ( 0.0984848 0.0984848 0.5000000), wk = 0.0031949 k( 235) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0031949 k( 236) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0031949 k( 237) = ( 0.0757576 0.0757576 0.5000000), wk = 0.0031949 k( 238) = ( 0.0681818 0.0681818 0.5000000), wk = 0.0031949 k( 239) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0031949 k( 240) = ( 0.0530303 0.0530303 0.5000000), wk = 0.0031949 k( 241) = ( 0.0454546 0.0454545 0.5000000), wk = 0.0031949 k( 242) = ( 0.0378788 0.0378788 0.5000000), wk = 0.0031949 k( 243) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0031949 k( 244) = ( 0.0227273 0.0227273 0.5000000), wk = 0.0031949 k( 245) = ( 0.0151515 0.0151515 0.5000000), wk = 0.0031949 k( 246) = ( 0.0075758 0.0075758 0.5000000), wk = 0.0031949 k( 247) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031949 k( 248) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031949 k( 249) = ( 0.5000000 -0.0000000 0.4843750), wk = 0.0031949 k( 250) = ( 0.5000000 -0.0000000 0.4687500), wk = 0.0031949 k( 251) = ( 0.5000000 -0.0000000 0.4531250), wk = 0.0031949 k( 252) = ( 0.5000000 -0.0000000 0.4375000), wk = 0.0031949 k( 253) = ( 0.5000000 -0.0000000 0.4218750), wk = 0.0031949 k( 254) = ( 0.5000000 -0.0000000 0.4062500), wk = 0.0031949 k( 255) = ( 0.5000000 -0.0000000 0.3906250), wk = 0.0031949 k( 256) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0031949 k( 257) = ( 0.5000000 -0.0000000 0.3593750), wk = 0.0031949 k( 258) = ( 0.5000000 -0.0000000 0.3437500), wk = 0.0031949 k( 259) = ( 0.5000000 -0.0000000 0.3281250), wk = 0.0031949 k( 260) = ( 0.5000000 -0.0000000 0.3125000), wk = 0.0031949 k( 261) = ( 0.5000000 -0.0000000 0.2968750), wk = 0.0031949 k( 262) = ( 0.5000000 -0.0000000 0.2812500), wk = 0.0031949 k( 263) = ( 0.5000000 -0.0000000 0.2656250), wk = 0.0031949 k( 264) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0031949 k( 265) = ( 0.5000000 -0.0000000 0.2343750), wk = 0.0031949 k( 266) = ( 0.5000000 -0.0000000 0.2187500), wk = 0.0031949 k( 267) = ( 0.5000000 -0.0000000 0.2031250), wk = 0.0031949 k( 268) = ( 0.5000000 -0.0000000 0.1875000), wk = 0.0031949 k( 269) = ( 0.5000000 -0.0000000 0.1718750), wk = 0.0031949 k( 270) = ( 0.5000000 -0.0000000 0.1562500), wk = 0.0031949 k( 271) = ( 0.5000000 -0.0000000 0.1406250), wk = 0.0031949 k( 272) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0031949 k( 273) = ( 0.5000000 -0.0000000 0.1093750), wk = 0.0031949 k( 274) = ( 0.5000000 -0.0000000 0.0937500), wk = 0.0031949 k( 275) = ( 0.5000000 -0.0000000 0.0781250), wk = 0.0031949 k( 276) = ( 0.5000000 -0.0000000 0.0625000), wk = 0.0031949 k( 277) = ( 0.5000000 -0.0000000 0.0468750), wk = 0.0031949 k( 278) = ( 0.5000000 -0.0000000 0.0312500), wk = 0.0031949 k( 279) = ( 0.5000000 -0.0000000 0.0156250), wk = 0.0031949 k( 280) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031949 k( 281) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031949 k( 282) = ( 0.3333333 0.3333333 0.0156250), wk = 0.0031949 k( 283) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0031949 k( 284) = ( 0.3333333 0.3333333 0.0468750), wk = 0.0031949 k( 285) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0031949 k( 286) = ( 0.3333333 0.3333333 0.0781250), wk = 0.0031949 k( 287) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0031949 k( 288) = ( 0.3333333 0.3333333 0.1093750), wk = 0.0031949 k( 289) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0031949 k( 290) = ( 0.3333333 0.3333333 0.1406250), wk = 0.0031949 k( 291) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0031949 k( 292) = ( 0.3333333 0.3333333 0.1718750), wk = 0.0031949 k( 293) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0031949 k( 294) = ( 0.3333333 0.3333333 0.2031250), wk = 0.0031949 k( 295) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0031949 k( 296) = ( 0.3333333 0.3333333 0.2343750), wk = 0.0031949 k( 297) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0031949 k( 298) = ( 0.3333333 0.3333333 0.2656250), wk = 0.0031949 k( 299) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0031949 k( 300) = ( 0.3333333 0.3333333 0.2968750), wk = 0.0031949 k( 301) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0031949 k( 302) = ( 0.3333333 0.3333333 0.3281250), wk = 0.0031949 k( 303) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0031949 k( 304) = ( 0.3333333 0.3333333 0.3593750), wk = 0.0031949 k( 305) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0031949 k( 306) = ( 0.3333333 0.3333333 0.3906250), wk = 0.0031949 k( 307) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0031949 k( 308) = ( 0.3333333 0.3333333 0.4218750), wk = 0.0031949 k( 309) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0031949 k( 310) = ( 0.3333333 0.3333333 0.4531250), wk = 0.0031949 k( 311) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0031949 k( 312) = ( 0.3333333 0.3333333 0.4843750), wk = 0.0031949 k( 313) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031949 Dense grid: 98299 G-vectors FFT dimensions: ( 60, 60, 64) Smooth grid: 29807 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 224, 70) NL pseudopotentials 0.25 Mb ( 112, 146) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2731) G-vector shells 0.01 Mb ( 1261) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.96 Mb ( 224, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.31 Mb ( 146, 2, 70) The potential is recalculated from file : ./HgxAsO3x2.save/charge-density.dat Starting wfc are 82 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 6.3 secs Computing kpt #: 5 total cpu time spent up to now is 7.5 secs Computing kpt #: 6 total cpu time spent up to now is 8.6 secs Computing kpt #: 7 total cpu time spent up to now is 9.9 secs Computing kpt #: 8 total cpu time spent up to now is 11.2 secs Computing kpt #: 9 total cpu time spent up to now is 12.6 secs Computing kpt #: 10 total cpu time spent up to now is 13.9 secs Computing kpt #: 11 total cpu time spent up to now is 15.4 secs Computing kpt #: 12 total cpu time spent up to now is 17.0 secs Computing kpt #: 13 total cpu time spent up to now is 18.9 secs Computing kpt #: 14 total cpu time spent up to now is 20.5 secs Computing kpt #: 15 total cpu time spent up to now is 22.4 secs Computing kpt #: 16 total cpu time spent up to now is 24.3 secs Computing kpt #: 17 total cpu time spent up to now is 25.6 secs Computing kpt #: 18 total cpu time spent up to now is 27.1 secs Computing kpt #: 19 total cpu time spent up to now is 28.3 secs Computing kpt #: 20 total cpu time spent up to now is 29.5 secs Computing kpt #: 21 total cpu time spent up to now is 30.8 secs Computing kpt #: 22 total cpu time spent up to now is 31.9 secs Computing kpt #: 23 total cpu time spent up to now is 33.1 secs Computing kpt #: 24 total cpu time spent up to now is 34.3 secs Computing kpt #: 25 total cpu time spent up to now is 35.4 secs Computing kpt #: 26 total cpu time spent up to now is 36.6 secs Computing kpt #: 27 total cpu time spent up to now is 37.7 secs Computing kpt #: 28 total cpu time spent up to now is 38.8 secs Computing kpt #: 29 total cpu time spent up to now is 39.8 secs Computing kpt #: 30 total cpu time spent up to now is 40.9 secs Computing kpt #: 31 total cpu time spent up to now is 41.9 secs Computing kpt #: 32 total cpu time spent up to now is 43.0 secs Computing kpt #: 33 total cpu time spent up to now is 43.8 secs Computing kpt #: 34 total cpu time spent up to now is 44.6 secs Computing kpt #: 35 total cpu time spent up to now is 45.5 secs Computing kpt #: 36 total cpu time spent up to now is 46.3 secs Computing kpt #: 37 total cpu time spent up to now is 47.2 secs Computing kpt #: 38 total cpu time spent up to now is 48.0 secs Computing kpt #: 39 total cpu time spent up to now is 48.8 secs Computing kpt #: 40 total cpu time spent up to now is 49.6 secs Computing kpt #: 41 total cpu time spent up to now is 50.4 secs Computing kpt #: 42 total cpu time spent up to now is 51.3 secs Computing kpt #: 43 total cpu time spent up to now is 52.2 secs Computing kpt #: 44 total cpu time spent up to now is 53.2 secs Computing kpt #: 45 total cpu time spent up to now is 54.3 secs Computing kpt #: 46 total cpu time spent up to now is 55.4 secs Computing kpt #: 47 total cpu time spent up to now is 56.5 secs Computing kpt #: 48 total cpu time spent up to now is 57.7 secs Computing kpt #: 49 total cpu time spent up to now is 59.0 secs Computing kpt #: 50 total cpu time spent up to now is 60.3 secs Computing kpt #: 51 total cpu time spent up to now is 62.1 secs Computing kpt #: 52 total cpu time spent up to now is 64.1 secs Computing kpt #: 53 total cpu time spent up to now is 65.9 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 68.1 secs Computing kpt #: 55 total cpu time spent up to now is 69.9 secs Computing kpt #: 56 total cpu time spent up to now is 71.5 secs Computing kpt #: 57 total cpu time spent up to now is 73.0 secs Computing kpt #: 58 total cpu time spent up to now is 74.4 secs Computing kpt #: 59 total cpu time spent up to now is 75.6 secs Computing kpt #: 60 total cpu time spent up to now is 76.6 secs Computing kpt #: 61 total cpu time spent up to now is 77.7 secs Computing kpt #: 62 total cpu time spent up to now is 78.6 secs Computing kpt #: 63 total cpu time spent up to now is 79.6 secs Computing kpt #: 64 total cpu time spent up to now is 80.6 secs Computing kpt #: 65 total cpu time spent up to now is 81.7 secs Computing kpt #: 66 total cpu time spent up to now is 82.8 secs Computing kpt #: 67 total cpu time spent up to now is 84.1 secs Computing kpt #: 68 total cpu time spent up to now is 85.4 secs Computing kpt #: 69 total cpu time spent up to now is 86.9 secs Computing kpt #: 70 total cpu time spent up to now is 88.6 secs Computing kpt #: 71 total cpu time spent up to now is 90.2 secs Computing kpt #: 72 total cpu time spent up to now is 92.1 secs Computing kpt #: 73 total cpu time spent up to now is 93.9 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.2 secs Computing kpt #: 75 total cpu time spent up to now is 98.5 secs Computing kpt #: 76 total cpu time spent up to now is 100.4 secs Computing kpt #: 77 total cpu time spent up to now is 102.1 secs Computing kpt #: 78 total cpu time spent up to now is 103.6 secs Computing kpt #: 79 total cpu time spent up to now is 105.2 secs Computing kpt #: 80 total cpu time spent up to now is 106.5 secs Computing kpt #: 81 total cpu time spent up to now is 107.6 secs Computing kpt #: 82 total cpu time spent up to now is 108.7 secs Computing kpt #: 83 total cpu time spent up to now is 109.8 secs Computing kpt #: 84 total cpu time spent up to now is 111.0 secs Computing kpt #: 85 total cpu time spent up to now is 112.1 secs Computing kpt #: 86 total cpu time spent up to now is 113.2 secs Computing kpt #: 87 total cpu time spent up to now is 114.5 secs Computing kpt #: 88 total cpu time spent up to now is 115.8 secs Computing kpt #: 89 total cpu time spent up to now is 117.4 secs Computing kpt #: 90 total cpu time spent up to now is 119.0 secs Computing kpt #: 91 total cpu time spent up to now is 120.6 secs Computing kpt #: 92 total cpu time spent up to now is 122.3 secs Computing kpt #: 93 total cpu time spent up to now is 124.4 secs Computing kpt #: 94 total cpu time spent up to now is 126.1 secs Computing kpt #: 95 total cpu time spent up to now is 127.8 secs Computing kpt #: 96 total cpu time spent up to now is 129.4 secs Computing kpt #: 97 total cpu time spent up to now is 131.1 secs Computing kpt #: 98 total cpu time spent up to now is 132.5 secs Computing kpt #: 99 total cpu time spent up to now is 133.8 secs Computing kpt #: 100 total cpu time spent up to now is 135.1 secs Computing kpt #: 101 total cpu time spent up to now is 136.4 secs Computing kpt #: 102 total cpu time spent up to now is 137.5 secs Computing kpt #: 103 total cpu time spent up to now is 138.7 secs Computing kpt #: 104 total cpu time spent up to now is 139.8 secs Computing kpt #: 105 total cpu time spent up to now is 141.0 secs Computing kpt #: 106 total cpu time spent up to now is 142.1 secs Computing kpt #: 107 total cpu time spent up to now is 143.0 secs Computing kpt #: 108 total cpu time spent up to now is 143.8 secs Computing kpt #: 109 total cpu time spent up to now is 144.8 secs Computing kpt #: 110 total cpu time spent up to now is 146.0 secs Computing kpt #: 111 total cpu time spent up to now is 147.1 secs Computing kpt #: 112 total cpu time spent up to now is 148.6 secs Computing kpt #: 113 total cpu time spent up to now is 149.8 secs Computing kpt #: 114 total cpu time spent up to now is 151.0 secs Computing kpt #: 115 total cpu time spent up to now is 152.1 secs Computing kpt #: 116 total cpu time spent up to now is 153.3 secs Computing kpt #: 117 total cpu time spent up to now is 154.4 secs Computing kpt #: 118 total cpu time spent up to now is 155.7 secs Computing kpt #: 119 total cpu time spent up to now is 156.9 secs Computing kpt #: 120 total cpu time spent up to now is 158.2 secs Computing kpt #: 121 total cpu time spent up to now is 159.5 secs Computing kpt #: 122 total cpu time spent up to now is 160.8 secs Computing kpt #: 123 total cpu time spent up to now is 162.3 secs Computing kpt #: 124 total cpu time spent up to now is 164.0 secs Computing kpt #: 125 total cpu time spent up to now is 165.6 secs Computing kpt #: 126 total cpu time spent up to now is 167.5 secs Computing kpt #: 127 total cpu time spent up to now is 169.1 secs Computing kpt #: 128 total cpu time spent up to now is 170.7 secs Computing kpt #: 129 total cpu time spent up to now is 172.6 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 175.2 secs Computing kpt #: 131 total cpu time spent up to now is 176.8 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 179.0 secs Computing kpt #: 133 total cpu time spent up to now is 181.1 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 183.4 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 185.7 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 188.0 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 190.2 secs Computing kpt #: 138 total cpu time spent up to now is 191.2 secs Computing kpt #: 139 total cpu time spent up to now is 192.3 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 194.5 secs Computing kpt #: 141 total cpu time spent up to now is 195.5 secs Computing kpt #: 142 total cpu time spent up to now is 196.6 secs Computing kpt #: 143 total cpu time spent up to now is 197.6 secs Computing kpt #: 144 total cpu time spent up to now is 198.6 secs Computing kpt #: 145 total cpu time spent up to now is 200.8 secs Computing kpt #: 146 total cpu time spent up to now is 202.4 secs Computing kpt #: 147 total cpu time spent up to now is 204.2 secs Computing kpt #: 148 total cpu time spent up to now is 205.7 secs Computing kpt #: 149 total cpu time spent up to now is 207.4 secs Computing kpt #: 150 total cpu time spent up to now is 208.7 secs Computing kpt #: 151 total cpu time spent up to now is 210.3 secs Computing kpt #: 152 total cpu time spent up to now is 211.8 secs Computing kpt #: 153 total cpu time spent up to now is 213.1 secs Computing kpt #: 154 total cpu time spent up to now is 214.8 secs Computing kpt #: 155 total cpu time spent up to now is 217.1 secs Computing kpt #: 156 total cpu time spent up to now is 218.7 secs Computing kpt #: 157 total cpu time spent up to now is 220.3 secs Computing kpt #: 158 total cpu time spent up to now is 221.7 secs Computing kpt #: 159 total cpu time spent up to now is 223.0 secs Computing kpt #: 160 total cpu time spent up to now is 224.2 secs Computing kpt #: 161 total cpu time spent up to now is 225.5 secs Computing kpt #: 162 total cpu time spent up to now is 226.7 secs Computing kpt #: 163 total cpu time spent up to now is 227.8 secs Computing kpt #: 164 total cpu time spent up to now is 229.0 secs Computing kpt #: 165 total cpu time spent up to now is 230.2 secs Computing kpt #: 166 total cpu time spent up to now is 231.4 secs Computing kpt #: 167 total cpu time spent up to now is 232.5 secs Computing kpt #: 168 total cpu time spent up to now is 233.7 secs Computing kpt #: 169 total cpu time spent up to now is 234.8 secs Computing kpt #: 170 total cpu time spent up to now is 236.0 secs Computing kpt #: 171 total cpu time spent up to now is 237.1 secs Computing kpt #: 172 total cpu time spent up to now is 238.3 secs Computing kpt #: 173 total cpu time spent up to now is 239.4 secs Computing kpt #: 174 total cpu time spent up to now is 240.5 secs Computing kpt #: 175 total cpu time spent up to now is 241.6 secs Computing kpt #: 176 total cpu time spent up to now is 242.7 secs Computing kpt #: 177 total cpu time spent up to now is 243.8 secs Computing kpt #: 178 total cpu time spent up to now is 244.8 secs Computing kpt #: 179 total cpu time spent up to now is 245.7 secs Computing kpt #: 180 total cpu time spent up to now is 247.7 secs Computing kpt #: 181 total cpu time spent up to now is 248.8 secs Computing kpt #: 182 total cpu time spent up to now is 249.9 secs Computing kpt #: 183 total cpu time spent up to now is 251.0 secs Computing kpt #: 184 total cpu time spent up to now is 252.1 secs Computing kpt #: 185 total cpu time spent up to now is 253.2 secs Computing kpt #: 186 total cpu time spent up to now is 254.3 secs Computing kpt #: 187 total cpu time spent up to now is 255.5 secs Computing kpt #: 188 total cpu time spent up to now is 256.6 secs Computing kpt #: 189 total cpu time spent up to now is 257.7 secs Computing kpt #: 190 total cpu time spent up to now is 258.9 secs Computing kpt #: 191 total cpu time spent up to now is 260.0 secs Computing kpt #: 192 total cpu time spent up to now is 261.1 secs Computing kpt #: 193 total cpu time spent up to now is 262.3 secs Computing kpt #: 194 total cpu time spent up to now is 263.4 secs Computing kpt #: 195 total cpu time spent up to now is 264.5 secs Computing kpt #: 196 total cpu time spent up to now is 265.6 secs Computing kpt #: 197 total cpu time spent up to now is 266.7 secs Computing kpt #: 198 total cpu time spent up to now is 267.8 secs Computing kpt #: 199 total cpu time spent up to now is 268.9 secs Computing kpt #: 200 total cpu time spent up to now is 270.0 secs Computing kpt #: 201 total cpu time spent up to now is 271.0 secs Computing kpt #: 202 total cpu time spent up to now is 272.2 secs Computing kpt #: 203 total cpu time spent up to now is 273.3 secs Computing kpt #: 204 total cpu time spent up to now is 274.4 secs Computing kpt #: 205 total cpu time spent up to now is 275.5 secs Computing kpt #: 206 total cpu time spent up to now is 276.6 secs Computing kpt #: 207 total cpu time spent up to now is 277.7 secs Computing kpt #: 208 total cpu time spent up to now is 278.8 secs Computing kpt #: 209 total cpu time spent up to now is 280.0 secs Computing kpt #: 210 total cpu time spent up to now is 281.1 secs Computing kpt #: 211 total cpu time spent up to now is 282.3 secs Computing kpt #: 212 total cpu time spent up to now is 283.4 secs Computing kpt #: 213 total cpu time spent up to now is 284.5 secs Computing kpt #: 214 total cpu time spent up to now is 285.7 secs Computing kpt #: 215 total cpu time spent up to now is 286.9 secs Computing kpt #: 216 total cpu time spent up to now is 288.0 secs Computing kpt #: 217 total cpu time spent up to now is 289.2 secs Computing kpt #: 218 total cpu time spent up to now is 290.4 secs Computing kpt #: 219 total cpu time spent up to now is 291.5 secs Computing kpt #: 220 total cpu time spent up to now is 292.7 secs Computing kpt #: 221 total cpu time spent up to now is 293.9 secs Computing kpt #: 222 total cpu time spent up to now is 295.1 secs Computing kpt #: 223 total cpu time spent up to now is 296.4 secs Computing kpt #: 224 total cpu time spent up to now is 297.6 secs Computing kpt #: 225 total cpu time spent up to now is 298.9 secs Computing kpt #: 226 total cpu time spent up to now is 300.1 secs Computing kpt #: 227 total cpu time spent up to now is 301.5 secs Computing kpt #: 228 total cpu time spent up to now is 302.8 secs Computing kpt #: 229 total cpu time spent up to now is 304.6 secs Computing kpt #: 230 total cpu time spent up to now is 306.4 secs Computing kpt #: 231 total cpu time spent up to now is 308.1 secs Computing kpt #: 232 total cpu time spent up to now is 309.5 secs Computing kpt #: 233 total cpu time spent up to now is 311.1 secs Computing kpt #: 234 total cpu time spent up to now is 312.5 secs Computing kpt #: 235 total cpu time spent up to now is 314.0 secs Computing kpt #: 236 total cpu time spent up to now is 315.5 secs Computing kpt #: 237 total cpu time spent up to now is 316.5 secs Computing kpt #: 238 total cpu time spent up to now is 317.6 secs Computing kpt #: 239 total cpu time spent up to now is 318.9 secs Computing kpt #: 240 total cpu time spent up to now is 320.4 secs Computing kpt #: 241 total cpu time spent up to now is 322.2 secs Computing kpt #: 242 total cpu time spent up to now is 323.8 secs Computing kpt #: 243 total cpu time spent up to now is 325.7 secs Computing kpt #: 244 total cpu time spent up to now is 327.2 secs Computing kpt #: 245 total cpu time spent up to now is 328.2 secs Computing kpt #: 246 total cpu time spent up to now is 329.2 secs Computing kpt #: 247 total cpu time spent up to now is 330.3 secs Computing kpt #: 248 total cpu time spent up to now is 331.2 secs Computing kpt #: 249 total cpu time spent up to now is 332.3 secs Computing kpt #: 250 total cpu time spent up to now is 333.4 secs Computing kpt #: 251 total cpu time spent up to now is 334.5 secs Computing kpt #: 252 total cpu time spent up to now is 335.7 secs Computing kpt #: 253 total cpu time spent up to now is 336.9 secs Computing kpt #: 254 total cpu time spent up to now is 338.2 secs Computing kpt #: 255 total cpu time spent up to now is 339.5 secs Computing kpt #: 256 total cpu time spent up to now is 340.9 secs Computing kpt #: 257 total cpu time spent up to now is 342.2 secs Computing kpt #: 258 total cpu time spent up to now is 343.4 secs Computing kpt #: 259 total cpu time spent up to now is 344.5 secs Computing kpt #: 260 total cpu time spent up to now is 345.7 secs Computing kpt #: 261 total cpu time spent up to now is 346.9 secs Computing kpt #: 262 total cpu time spent up to now is 348.0 secs Computing kpt #: 263 total cpu time spent up to now is 349.2 secs Computing kpt #: 264 total cpu time spent up to now is 350.3 secs Computing kpt #: 265 total cpu time spent up to now is 351.4 secs Computing kpt #: 266 total cpu time spent up to now is 352.4 secs Computing kpt #: 267 total cpu time spent up to now is 353.5 secs Computing kpt #: 268 total cpu time spent up to now is 354.5 secs Computing kpt #: 269 total cpu time spent up to now is 355.6 secs Computing kpt #: 270 total cpu time spent up to now is 356.7 secs Computing kpt #: 271 total cpu time spent up to now is 357.8 secs Computing kpt #: 272 total cpu time spent up to now is 358.8 secs Computing kpt #: 273 total cpu time spent up to now is 359.8 secs Computing kpt #: 274 total cpu time spent up to now is 360.8 secs Computing kpt #: 275 total cpu time spent up to now is 361.6 secs Computing kpt #: 276 total cpu time spent up to now is 362.5 secs Computing kpt #: 277 total cpu time spent up to now is 363.4 secs Computing kpt #: 278 total cpu time spent up to now is 364.2 secs Computing kpt #: 279 total cpu time spent up to now is 365.0 secs Computing kpt #: 280 total cpu time spent up to now is 365.9 secs Computing kpt #: 281 total cpu time spent up to now is 366.7 secs Computing kpt #: 282 total cpu time spent up to now is 367.7 secs Computing kpt #: 283 total cpu time spent up to now is 368.7 secs Computing kpt #: 284 total cpu time spent up to now is 369.6 secs Computing kpt #: 285 total cpu time spent up to now is 370.4 secs Computing kpt #: 286 total cpu time spent up to now is 371.4 secs Computing kpt #: 287 total cpu time spent up to now is 372.4 secs Computing kpt #: 288 total cpu time spent up to now is 373.3 secs Computing kpt #: 289 total cpu time spent up to now is 374.3 secs Computing kpt #: 290 total cpu time spent up to now is 375.3 secs Computing kpt #: 291 total cpu time spent up to now is 376.4 secs Computing kpt #: 292 total cpu time spent up to now is 377.3 secs Computing kpt #: 293 total cpu time spent up to now is 378.4 secs Computing kpt #: 294 total cpu time spent up to now is 379.4 secs Computing kpt #: 295 total cpu time spent up to now is 380.6 secs Computing kpt #: 296 total cpu time spent up to now is 381.6 secs Computing kpt #: 297 total cpu time spent up to now is 382.8 secs Computing kpt #: 298 total cpu time spent up to now is 384.1 secs Computing kpt #: 299 total cpu time spent up to now is 385.3 secs Computing kpt #: 300 total cpu time spent up to now is 386.5 secs Computing kpt #: 301 total cpu time spent up to now is 387.8 secs Computing kpt #: 302 total cpu time spent up to now is 389.0 secs Computing kpt #: 303 total cpu time spent up to now is 390.1 secs Computing kpt #: 304 total cpu time spent up to now is 391.3 secs Computing kpt #: 305 total cpu time spent up to now is 392.4 secs Computing kpt #: 306 total cpu time spent up to now is 393.5 secs Computing kpt #: 307 total cpu time spent up to now is 394.6 secs Computing kpt #: 308 total cpu time spent up to now is 395.7 secs Computing kpt #: 309 total cpu time spent up to now is 396.9 secs Computing kpt #: 310 total cpu time spent up to now is 398.0 secs Computing kpt #: 311 total cpu time spent up to now is 399.1 secs Computing kpt #: 312 total cpu time spent up to now is 400.2 secs Computing kpt #: 313 total cpu time spent up to now is 401.3 secs ethr = 1.72E-08, avg # of iterations = 47.0 total cpu time spent up to now is 401.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3759 PWs) bands (ev): -14.3648 -14.3648 -11.1258 -11.1258 -11.0982 -11.0982 -10.8683 -10.8683 -9.6398 -9.6398 -9.6284 -9.6284 -4.8939 -4.8939 -0.8657 -0.8657 0.3047 0.3047 0.4447 0.4447 0.4506 0.4506 1.7586 1.7586 1.8206 1.8206 2.2049 2.2049 2.3605 2.3605 3.3052 3.3052 4.1733 4.1733 4.5631 4.5631 4.7562 4.7562 5.3786 5.3786 5.3955 5.3955 5.4930 5.4930 5.4949 5.4949 5.8297 5.8297 6.1636 6.1636 6.1866 6.1866 6.4114 6.4114 6.6263 6.6263 6.7208 6.7208 8.4205 8.4205 12.2900 12.2900 13.2659 13.2659 14.5371 14.5371 16.6467 16.6467 17.3132 17.3132 k = 0.0132 0.0076-0.0000 ( 3751 PWs) bands (ev): -14.3640 -14.3640 -11.1271 -11.1271 -11.0995 -11.0995 -10.8677 -10.8677 -9.6400 -9.6400 -9.6286 -9.6286 -4.8912 -4.8912 -0.8657 -0.8657 0.3056 0.3056 0.4456 0.4456 0.4498 0.4498 1.7587 1.7587 1.8213 1.8213 2.2056 2.2056 2.3619 2.3619 3.3056 3.3056 4.1675 4.1675 4.5479 4.5479 4.7759 4.7759 5.3572 5.3572 5.3998 5.3998 5.4908 5.4908 5.5060 5.5060 5.8326 5.8326 6.1607 6.1607 6.1841 6.1841 6.4085 6.4085 6.6283 6.6283 6.7220 6.7220 8.4278 8.4278 12.2909 12.2909 13.2645 13.2645 14.5403 14.5403 16.6447 16.6447 17.3110 17.3110 k = 0.0263 0.0152-0.0000 ( 3749 PWs) bands (ev): -14.3614 -14.3614 -11.1315 -11.1315 -11.1031 -11.1031 -10.8659 -10.8659 -9.6405 -9.6405 -9.6291 -9.6291 -4.8829 -4.8829 -0.8655 -0.8655 0.3081 0.3081 0.4464 0.4464 0.4494 0.4494 1.7579 1.7579 1.8247 1.8247 2.2077 2.2077 2.3662 2.3662 3.3066 3.3066 4.1504 4.1504 4.5149 4.5149 4.8221 4.8221 5.3174 5.3174 5.3978 5.3978 5.4802 5.4802 5.5341 5.5341 5.8403 5.8403 6.1508 6.1508 6.1785 6.1785 6.4007 6.4007 6.6337 6.6337 6.7253 6.7253 8.4496 8.4496 12.2933 12.2933 13.2601 13.2601 14.5496 14.5496 16.6386 16.6386 17.3046 17.3046 k = 0.0395 0.0228-0.0000 ( 3739 PWs) bands (ev): -14.3571 -14.3571 -11.1399 -11.1399 -11.1079 -11.1079 -10.8630 -10.8630 -9.6415 -9.6415 -9.6300 -9.6300 -4.8691 -4.8691 -0.8653 -0.8653 0.3123 0.3123 0.4427 0.4427 0.4541 0.4541 1.7541 1.7541 1.8329 1.8329 2.2111 2.2111 2.3732 2.3732 3.3082 3.3082 4.1220 4.1220 4.4793 4.4793 4.8789 4.8789 5.2706 5.2706 5.3870 5.3870 5.4678 5.4678 5.5658 5.5658 5.8505 5.8505 6.1333 6.1333 6.1721 6.1721 6.3897 6.3897 6.6412 6.6412 6.7307 6.7307 8.4850 8.4850 12.2974 12.2974 13.2530 13.2530 14.5650 14.5650 16.6282 16.6282 17.2943 17.2943 k = 0.0526 0.0304-0.0000 ( 3739 PWs) bands (ev): -14.3511 -14.3511 -11.1531 -11.1531 -11.1128 -11.1128 -10.8589 -10.8589 -9.6431 -9.6431 -9.6311 -9.6311 -4.8499 -4.8499 -0.8651 -0.8651 0.3178 0.3178 0.4375 0.4375 0.4611 0.4611 1.7458 1.7458 1.8474 1.8474 2.2156 2.2156 2.3825 2.3825 3.3103 3.3103 4.0835 4.0835 4.4469 4.4469 4.9384 4.9384 5.2202 5.2202 5.3657 5.3657 5.4588 5.4588 5.5961 5.5961 5.8599 5.8599 6.1116 6.1116 6.1647 6.1647 6.3779 6.3779 6.6491 6.6491 6.7376 6.7376 8.5331 8.5331 12.3031 12.3031 13.2429 13.2429 14.5864 14.5864 16.6133 16.6133 17.2809 17.2809 k = 0.0658 0.0380-0.0000 ( 3733 PWs) bands (ev): -14.3435 -14.3435 -11.1713 -11.1713 -11.1177 -11.1177 -10.8537 -10.8537 -9.6453 -9.6453 -9.6323 -9.6323 -4.8255 -4.8255 -0.8648 -0.8648 0.3244 0.3244 0.4319 0.4319 0.4702 0.4702 1.7336 1.7336 1.8677 1.8677 2.2213 2.2213 2.3937 2.3937 3.3128 3.3128 4.0369 4.0369 4.4187 4.4187 4.9944 4.9944 5.1700 5.1700 5.3344 5.3344 5.4549 5.4549 5.6223 5.6223 5.8651 5.8651 6.0912 6.0912 6.1558 6.1558 6.3673 6.3673 6.6563 6.6563 6.7457 6.7457 8.5924 8.5924 12.3102 12.3102 13.2302 13.2302 14.6135 14.6135 16.5935 16.5935 17.2652 17.2652 k = 0.0789 0.0456-0.0000 ( 3731 PWs) bands (ev): -14.3341 -14.3341 -11.1942 -11.1942 -11.1226 -11.1226 -10.8474 -10.8474 -9.6483 -9.6483 -9.6335 -9.6335 -4.7959 -4.7959 -0.8646 -0.8646 0.3316 0.3316 0.4267 0.4267 0.4813 0.4813 1.7183 1.7183 1.8923 1.8923 2.2284 2.2284 2.4063 2.4063 3.3155 3.3155 3.9846 3.9846 4.3938 4.3938 5.0316 5.0316 5.1325 5.1325 5.2971 5.2971 5.4548 5.4548 5.6413 5.6413 5.8642 5.8642 6.0765 6.0765 6.1457 6.1457 6.3595 6.3595 6.6621 6.6621 6.7546 6.7546 8.6615 8.6615 12.3187 12.3187 13.2148 13.2148 14.6462 14.6462 16.5686 16.5686 17.2480 17.2480 k = 0.0921 0.0532-0.0000 ( 3735 PWs) bands (ev): -14.3230 -14.3230 -11.2214 -11.2214 -11.1276 -11.1276 -10.8402 -10.8402 -9.6521 -9.6521 -9.6348 -9.6348 -4.7614 -4.7614 -0.8646 -0.8646 0.3384 0.3384 0.4233 0.4233 0.4944 0.4944 1.7011 1.7011 1.9196 1.9196 2.2371 2.2371 2.4199 2.4199 3.3182 3.3182 3.9294 3.9294 4.3705 4.3705 5.0131 5.0131 5.1395 5.1395 5.2603 5.2603 5.4570 5.4570 5.6489 5.6489 5.8593 5.8593 6.0691 6.0691 6.1368 6.1368 6.3554 6.3554 6.6661 6.6661 6.7638 6.7638 8.7391 8.7391 12.3286 12.3286 13.1968 13.1968 14.6839 14.6839 16.5381 16.5381 17.2299 17.2299 k = 0.1053 0.0608-0.0000 ( 3725 PWs) bands (ev): -14.3103 -14.3103 -11.2525 -11.2525 -11.1328 -11.1328 -10.8321 -10.8321 -9.6567 -9.6567 -9.6361 -9.6361 -4.7222 -4.7222 -0.8647 -0.8647 0.3433 0.3433 0.4234 0.4234 0.5096 0.5096 1.6826 1.6826 1.9481 1.9481 2.2483 2.2483 2.4340 2.4340 3.3205 3.3205 3.8732 3.8732 4.3473 4.3473 4.9605 4.9605 5.1487 5.1487 5.2451 5.2451 5.4608 5.4608 5.6405 5.6405 5.8559 5.8559 6.0656 6.0656 6.1335 6.1335 6.3548 6.3548 6.6684 6.6684 6.7730 6.7730 8.8238 8.8238 12.3397 12.3397 13.1765 13.1765 14.7265 14.7265 16.5023 16.5023 17.2113 17.2113 k = 0.1184 0.0684-0.0000 ( 3727 PWs) bands (ev): -14.2959 -14.2959 -11.2872 -11.2872 -11.1384 -11.1384 -10.8230 -10.8230 -9.6620 -9.6620 -9.6374 -9.6374 -4.6784 -4.6784 -0.8651 -0.8651 0.3451 0.3451 0.4285 0.4285 0.5267 0.5267 1.6635 1.6635 1.9758 1.9758 2.2626 2.2626 2.4482 2.4482 3.3218 3.3218 3.8180 3.8180 4.3230 4.3230 4.9002 4.9002 5.1165 5.1165 5.2689 5.2689 5.4655 5.4655 5.6155 5.6155 5.8568 5.8568 6.0629 6.0629 6.1397 6.1397 6.3575 6.3575 6.6690 6.6690 6.7818 6.7818 8.9143 8.9143 12.3519 12.3519 13.1538 13.1538 14.7734 14.7734 16.4610 16.4610 17.1919 17.1919 k = 0.1316 0.0760-0.0000 ( 3731 PWs) bands (ev): -14.2799 -14.2799 -11.3253 -11.3253 -11.1441 -11.1441 -10.8132 -10.8132 -9.6681 -9.6681 -9.6389 -9.6389 -4.6304 -4.6304 -0.8658 -0.8658 0.3438 0.3438 0.4391 0.4391 0.5459 0.5459 1.6442 1.6442 2.0006 2.0006 2.2812 2.2812 2.4623 2.4623 3.3217 3.3217 3.7654 3.7654 4.2963 4.2963 4.8380 4.8380 5.0659 5.0659 5.3034 5.3034 5.4703 5.4703 5.5784 5.5784 5.8586 5.8586 6.0629 6.0629 6.1551 6.1551 6.3627 6.3627 6.6682 6.6682 6.7900 6.7900 9.0097 9.0097 12.3651 12.3651 13.1290 13.1290 14.8242 14.8242 16.4147 16.4147 17.1707 17.1707 k = 0.1447 0.0836-0.0000 ( 3727 PWs) bands (ev): -14.2623 -14.2623 -11.3665 -11.3665 -11.1501 -11.1501 -10.8026 -10.8026 -9.6750 -9.6750 -9.6405 -9.6405 -4.5783 -4.5783 -0.8670 -0.8670 0.3404 0.3404 0.4543 0.4543 0.5671 0.5671 1.6250 1.6250 2.0209 2.0209 2.3044 2.3044 2.4761 2.4761 3.3193 3.3193 3.7169 3.7169 4.2662 4.2662 4.7761 4.7761 5.0093 5.0093 5.3347 5.3347 5.4734 5.4734 5.5363 5.5363 5.8566 5.8566 6.0698 6.0698 6.1776 6.1776 6.3700 6.3700 6.6662 6.6662 6.7975 6.7975 9.1090 9.1090 12.3791 12.3791 13.1022 13.1022 14.8783 14.8783 16.3638 16.3638 17.1461 17.1461 k = 0.1579 0.0912-0.0000 ( 3719 PWs) bands (ev): -14.2431 -14.2431 -11.4105 -11.4105 -11.1563 -11.1563 -10.7913 -10.7913 -9.6825 -9.6825 -9.6423 -9.6423 -4.5226 -4.5226 -0.8686 -0.8686 0.3361 0.3361 0.4730 0.4730 0.5904 0.5904 1.6062 1.6062 2.0355 2.0355 2.3321 2.3321 2.4902 2.4902 3.3138 3.3138 3.6739 3.6739 4.2318 4.2318 4.7157 4.7157 4.9496 4.9496 5.3580 5.3580 5.4653 5.4653 5.5035 5.5035 5.8488 5.8488 6.0845 6.0845 6.2062 6.2062 6.3787 6.3787 6.6631 6.6631 6.8043 6.8043 9.2114 9.2114 12.3937 12.3937 13.0736 13.0736 14.9352 14.9352 16.3089 16.3089 17.1153 17.1153 k = 0.1711 0.0988-0.0000 ( 3719 PWs) bands (ev): -14.2223 -14.2223 -11.4571 -11.4571 -11.1626 -11.1626 -10.7793 -10.7793 -9.6907 -9.6907 -9.6442 -9.6442 -4.4634 -4.4634 -0.8709 -0.8709 0.3319 0.3319 0.4943 0.4943 0.6156 0.6156 1.5882 1.5882 2.0438 2.0438 2.3623 2.3623 2.5053 2.5053 3.3045 3.3045 3.6375 3.6375 4.1923 4.1923 4.6581 4.6581 4.8881 4.8881 5.3659 5.3659 5.4367 5.4367 5.4978 5.4978 5.8366 5.8366 6.1045 6.1045 6.2407 6.2407 6.3883 6.3883 6.6590 6.6590 6.8105 6.8105 9.3161 9.3161 12.4088 12.4088 13.0434 13.0434 14.9942 14.9942 16.2508 16.2508 17.0756 17.0757 k = 0.1842 0.1064-0.0000 ( 3713 PWs) bands (ev): -14.2000 -14.2000 -11.5059 -11.5059 -11.1690 -11.1690 -10.7666 -10.7666 -9.6996 -9.6996 -9.6462 -9.6462 -4.4010 -4.4010 -0.8738 -0.8738 0.3285 0.3285 0.5178 0.5178 0.6427 0.6427 1.5710 1.5710 2.0462 2.0462 2.3919 2.3919 2.5234 2.5234 3.2913 3.2913 3.6083 3.6083 4.1477 4.1477 4.6040 4.6040 4.8259 4.8259 5.3430 5.3430 5.4220 5.4220 5.5013 5.5013 5.8222 5.8222 6.1264 6.1264 6.2809 6.2809 6.3986 6.3986 6.6542 6.6542 6.8163 6.8163 9.4228 9.4228 12.4242 12.4242 13.0117 13.0117 15.0546 15.0546 16.1901 16.1901 17.0260 17.0260 k = 0.1974 0.1140-0.0000 ( 3715 PWs) bands (ev): -14.1761 -14.1761 -11.5568 -11.5568 -11.1755 -11.1755 -10.7533 -10.7533 -9.7091 -9.7091 -9.6484 -9.6484 -4.3358 -4.3358 -0.8774 -0.8774 0.3262 0.3262 0.5430 0.5430 0.6719 0.6719 1.5550 1.5550 2.0431 2.0431 2.4167 2.4167 2.5467 2.5467 3.2746 3.2746 3.5856 3.5856 4.0981 4.0981 4.5534 4.5534 4.7638 4.7638 5.2992 5.2992 5.4185 5.4185 5.5082 5.5082 5.8076 5.8076 6.1478 6.1478 6.3261 6.3261 6.4092 6.4092 6.6488 6.6488 6.8221 6.8221 9.5307 9.5307 12.4397 12.4397 12.9786 12.9786 15.1157 15.1157 16.1276 16.1276 16.9676 16.9676 k = 0.2105 0.1215-0.0000 ( 3707 PWs) bands (ev): -14.1508 -14.1508 -11.6095 -11.6095 -11.1821 -11.1821 -10.7395 -10.7395 -9.7193 -9.7193 -9.6508 -9.6508 -4.2682 -4.2682 -0.8819 -0.8819 0.3253 0.3253 0.5695 0.5695 0.7030 0.7030 1.5402 1.5402 2.0350 2.0350 2.4338 2.4338 2.5766 2.5766 3.2560 3.2560 3.5684 3.5684 4.0447 4.0447 4.5060 4.5060 4.7030 4.7030 5.2505 5.2505 5.4116 5.4116 5.5184 5.5184 5.7936 5.7936 6.1676 6.1676 6.3746 6.3746 6.4201 6.4201 6.6430 6.6430 6.8282 6.8282 9.6394 9.6394 12.4551 12.4551 12.9445 12.9445 15.1765 15.1765 16.0642 16.0642 16.9029 16.9029 k = 0.2237 0.1291-0.0000 ( 3719 PWs) bands (ev): -14.1241 -14.1241 -11.6638 -11.6638 -11.1886 -11.1886 -10.7252 -10.7252 -9.7300 -9.7300 -9.6533 -9.6533 -4.1983 -4.1983 -0.8871 -0.8871 0.3261 0.3261 0.5971 0.5971 0.7360 0.7360 1.5269 1.5269 2.0223 2.0223 2.4430 2.4430 2.6110 2.6110 3.2371 3.2371 3.5547 3.5547 3.9892 3.9892 4.4603 4.4603 4.6451 4.6451 5.2015 5.2015 5.3987 5.3987 5.5316 5.5316 5.7806 5.7806 6.1854 6.1854 6.4205 6.4205 6.4348 6.4348 6.6369 6.6369 6.8354 6.8354 9.7486 9.7486 12.4703 12.4703 12.9093 12.9093 15.2361 15.2361 16.0005 16.0005 16.8347 16.8347 k = 0.2368 0.1367-0.0000 ( 3719 PWs) bands (ev): -14.0960 -14.0960 -11.7193 -11.7193 -11.1951 -11.1951 -10.7104 -10.7104 -9.7414 -9.7414 -9.6559 -9.6559 -4.1267 -4.1267 -0.8933 -0.8933 0.3286 0.3286 0.6253 0.6253 0.7709 0.7709 1.5152 1.5152 2.0055 2.0055 2.4461 2.4461 2.6465 2.6465 3.2200 3.2200 3.5424 3.5424 3.9336 3.9336 4.4147 4.4147 4.5917 4.5917 5.1532 5.1532 5.3808 5.3808 5.5471 5.5471 5.7683 5.7683 6.2013 6.2013 6.4374 6.4374 6.4772 6.4772 6.6310 6.6310 6.8446 6.8446 9.8579 9.8579 12.4849 12.4849 12.8734 12.8734 15.2931 15.2931 15.9376 15.9376 16.7651 16.7651 k = 0.2500 0.1443-0.0000 ( 3725 PWs) bands (ev): -14.0666 -14.0666 -11.7759 -11.7759 -11.2015 -11.2015 -10.6952 -10.6952 -9.7532 -9.7532 -9.6585 -9.6585 -4.0537 -4.0537 -0.9005 -0.9005 0.3329 0.3329 0.6539 0.6539 0.8076 0.8076 1.5053 1.5053 1.9847 1.9847 2.4445 2.4445 2.6795 2.6795 3.2064 3.2064 3.5293 3.5293 3.8806 3.8806 4.3678 4.3678 4.5447 4.5447 5.1064 5.1064 5.3591 5.3591 5.5645 5.5645 5.7563 5.7563 6.2154 6.2154 6.4471 6.4471 6.5228 6.5228 6.6258 6.6258 6.8571 6.8571 9.9670 9.9670 12.4990 12.4990 12.8369 12.8369 15.3461 15.3461 15.8766 15.8766 16.6958 16.6958 k = 0.2632 0.1519-0.0000 ( 3733 PWs) bands (ev): -14.0359 -14.0359 -11.8334 -11.8334 -11.2078 -11.2078 -10.6797 -10.6797 -9.7656 -9.7656 -9.6613 -9.6613 -3.9795 -3.9795 -0.9086 -0.9086 0.3391 0.3391 0.6824 0.6824 0.8460 0.8460 1.4972 1.4972 1.9604 1.9604 2.4392 2.4392 2.7070 2.7070 3.1973 3.1973 3.5135 3.5135 3.8329 3.8329 4.3187 4.3187 4.5049 4.5049 5.0611 5.0611 5.3349 5.3349 5.5833 5.5833 5.7442 5.7442 6.2276 6.2276 6.4555 6.4555 6.5608 6.5608 6.6236 6.6236 6.8745 6.8745 10.0756 10.0756 12.5121 12.5121 12.7998 12.7998 15.3927 15.3927 15.8194 15.8194 16.6282 16.6282 k = 0.2763 0.1595-0.0000 ( 3735 PWs) bands (ev): -14.0040 -14.0040 -11.8914 -11.8914 -11.2140 -11.2140 -10.6638 -10.6638 -9.7784 -9.7784 -9.6640 -9.6640 -3.9047 -3.9047 -0.9176 -0.9176 0.3472 0.3472 0.7105 0.7105 0.8861 0.8861 1.4913 1.4913 1.9331 1.9331 2.4308 2.4308 2.7268 2.7268 3.1930 3.1930 3.4939 3.4939 3.7931 3.7931 4.2681 4.2681 4.4724 4.4724 5.0175 5.0175 5.3092 5.3092 5.6033 5.6033 5.7317 5.7317 6.2379 6.2379 6.4631 6.4631 6.5828 6.5828 6.6306 6.6306 6.8982 6.8982 10.1834 10.1834 12.5241 12.5241 12.7624 12.7624 15.4295 15.4295 15.7688 15.7688 16.5633 16.5633 k = 0.2895 0.1671-0.0000 ( 3733 PWs) bands (ev): -13.9711 -13.9711 -11.9498 -11.9498 -11.2200 -11.2200 -10.6478 -10.6478 -9.7916 -9.7916 -9.6668 -9.6668 -3.8296 -3.8296 -0.9277 -0.9277 0.3571 0.3571 0.7376 0.7376 0.9278 0.9278 1.4877 1.4877 1.9033 1.9033 2.4196 2.4196 2.7374 2.7374 3.1922 3.1922 3.4701 3.4701 3.7630 3.7630 4.2175 4.2175 4.4464 4.4464 4.9757 4.9757 5.2827 5.2827 5.6243 5.6243 5.7185 5.7185 6.2464 6.2464 6.4696 6.4696 6.5867 6.5867 6.6479 6.6479 6.9287 6.9287 10.2902 10.2902 12.5347 12.5347 12.7249 12.7249 15.4514 15.4514 15.7294 15.7294 16.5020 16.5020 k = 0.3026 0.1747-0.0000 ( 3737 PWs) bands (ev): -13.9372 -13.9372 -12.0083 -12.0083 -11.2257 -11.2257 -10.6315 -10.6315 -9.8051 -9.8051 -9.6696 -9.6696 -3.7547 -3.7547 -0.9386 -0.9386 0.3689 0.3689 0.7634 0.7634 0.9706 0.9706 1.4865 1.4865 1.8718 1.8718 2.4057 2.4057 2.7387 2.7387 3.1922 3.1922 3.4439 3.4439 3.7433 3.7433 4.1687 4.1687 4.4258 4.4258 4.9356 4.9356 5.2559 5.2559 5.6459 5.6459 5.7048 5.7048 6.2530 6.2530 6.4752 6.4752 6.5835 6.5835 6.6649 6.6649 6.9655 6.9655 10.3957 10.3957 12.5435 12.5435 12.6878 12.6878 15.4527 15.4527 15.7064 15.7064 16.4454 16.4454 k = 0.3158 0.1823-0.0000 ( 3731 PWs) bands (ev): -13.9024 -13.9024 -12.0667 -12.0667 -11.2313 -11.2313 -10.6152 -10.6152 -9.8189 -9.8189 -9.6723 -9.6723 -3.6804 -3.6804 -0.9505 -0.9505 0.3825 0.3825 0.7874 0.7874 1.0145 1.0145 1.4878 1.4878 1.8394 1.8394 2.3892 2.3892 2.7312 2.7312 3.1892 3.1892 3.4179 3.4179 3.7336 3.7336 4.1236 4.1236 4.4099 4.4099 4.8971 4.8971 5.2293 5.2293 5.6657 5.6657 5.6926 5.6926 6.2577 6.2577 6.4799 6.4799 6.5785 6.5785 6.6777 6.6777 7.0069 7.0069 10.4997 10.4997 12.5493 12.5493 12.6519 12.6519 15.4328 15.4328 15.6997 15.6997 16.3944 16.3944 k = 0.3289 0.1899-0.0000 ( 3727 PWs) bands (ev): -13.8670 -13.8670 -12.1246 -12.1246 -11.2366 -11.2366 -10.5989 -10.5989 -9.8328 -9.8328 -9.6750 -9.6750 -3.6073 -3.6073 -0.9632 -0.9632 0.3977 0.3977 0.8092 0.8092 1.0588 1.0588 1.4917 1.4917 1.8071 1.8071 2.3704 2.3704 2.7161 2.7161 3.1796 3.1796 3.3948 3.3948 3.7327 3.7327 4.0836 4.0836 4.3980 4.3980 4.8602 4.8602 5.2031 5.2031 5.6664 5.6664 5.6993 5.6993 6.2602 6.2602 6.4837 6.4837 6.5732 6.5732 6.6865 6.6865 7.0507 7.0507 10.6019 10.6019 12.5491 12.5491 12.6205 12.6205 15.3983 15.3983 15.7024 15.7024 16.3496 16.3496 k = 0.3421 0.1975-0.0000 ( 3728 PWs) bands (ev): -13.8310 -13.8310 -12.1818 -12.1818 -11.2416 -11.2416 -10.5828 -10.5828 -9.8467 -9.8467 -9.6776 -9.6776 -3.5357 -3.5357 -0.9766 -0.9766 0.4144 0.4144 0.8285 0.8285 1.1031 1.1031 1.4979 1.4979 1.7762 1.7762 2.3493 2.3493 2.6944 2.6944 3.1620 3.1620 3.3754 3.3754 3.7391 3.7391 4.0503 4.0503 4.3898 4.3898 4.8249 4.8249 5.1777 5.1777 5.6510 5.6510 5.7216 5.7216 6.2607 6.2607 6.4868 6.4868 6.5679 6.5679 6.6926 6.6926 7.0953 7.0953 10.7020 10.7020 12.5352 12.5352 12.6008 12.6008 15.3569 15.3569 15.7066 15.7066 16.3116 16.3116 k = 0.3553 0.2051-0.0000 ( 3722 PWs) bands (ev): -13.7947 -13.7947 -12.2379 -12.2379 -11.2463 -11.2463 -10.5668 -10.5668 -9.8606 -9.8606 -9.6801 -9.6801 -3.4663 -3.4663 -0.9906 -0.9906 0.4324 0.4324 0.8449 0.8449 1.1463 1.1463 1.5061 1.5061 1.7485 1.7485 2.3263 2.3263 2.6670 2.6670 3.1375 3.1375 3.3588 3.3588 3.7504 3.7504 4.0253 4.0253 4.3849 4.3849 4.7911 4.7911 5.1532 5.1532 5.6331 5.6331 5.7461 5.7461 6.2590 6.2590 6.4893 6.4893 6.5629 6.5629 6.6967 6.6967 7.1393 7.1393 10.7999 10.7999 12.5060 12.5060 12.5949 12.5949 15.3132 15.3132 15.7081 15.7081 16.2808 16.2808 k = 0.3684 0.2127-0.0000 ( 3714 PWs) bands (ev): -13.7584 -13.7584 -12.2927 -12.2927 -11.2507 -11.2507 -10.5513 -10.5513 -9.8742 -9.8742 -9.6824 -9.6824 -3.3996 -3.3996 -1.0049 -1.0049 0.4516 0.4516 0.8584 0.8584 1.1870 1.1870 1.5159 1.5159 1.7260 1.7260 2.3018 2.3018 2.6349 2.6349 3.1084 3.1084 3.3437 3.3437 3.7633 3.7633 4.0102 4.0102 4.3829 4.3829 4.7587 4.7587 5.1298 5.1298 5.6142 5.6142 5.7712 5.7712 6.2553 6.2553 6.4915 6.4915 6.5581 6.5581 6.6995 6.6995 7.1817 7.1817 10.8950 10.8950 12.4693 12.4693 12.5947 12.5947 15.2700 15.2700 15.7050 15.7050 16.2567 16.2567 k = 0.3816 0.2203-0.0000 ( 3720 PWs) bands (ev): -13.7224 -13.7224 -12.3456 -12.3456 -11.2547 -11.2547 -10.5363 -10.5363 -9.8876 -9.8876 -9.6846 -9.6846 -3.3364 -3.3364 -1.0195 -1.0195 0.4716 0.4716 0.8691 0.8691 1.2234 1.2234 1.5268 1.5268 1.7109 1.7109 2.2763 2.2763 2.5986 2.5986 3.0770 3.0770 3.3294 3.3294 3.7742 3.7742 4.0064 4.0064 4.3836 4.3836 4.7277 4.7277 5.1077 5.1077 5.5949 5.5949 5.7965 5.7965 6.2494 6.2494 6.4935 6.4935 6.5536 6.5536 6.7015 6.7015 7.2216 7.2216 10.9871 10.9871 12.4297 12.4297 12.5959 12.5959 15.2287 15.2287 15.6972 15.6972 16.2388 16.2388 k = 0.3947 0.2279-0.0000 ( 3724 PWs) bands (ev): -13.6870 -13.6870 -12.3963 -12.3963 -11.2583 -11.2583 -10.5220 -10.5220 -9.9004 -9.9004 -9.6867 -9.6867 -3.2771 -3.2771 -1.0340 -1.0340 0.4921 0.4921 0.8770 0.8770 1.2526 1.2526 1.5396 1.5396 1.7050 1.7050 2.2504 2.2504 2.5587 2.5587 3.0450 3.0450 3.3159 3.3159 3.7808 3.7808 4.0137 4.0137 4.3868 4.3868 4.6982 4.6982 5.0870 5.0870 5.5755 5.5755 5.8217 5.8217 6.2418 6.2418 6.4955 6.4955 6.5493 6.5493 6.7030 6.7030 7.2586 7.2586 11.0757 11.0757 12.3886 12.3886 12.5970 12.5970 15.1903 15.1903 15.6858 15.6858 16.2259 16.2259 k = 0.4079 0.2355-0.0000 ( 3732 PWs) bands (ev): -13.6529 -13.6529 -12.4440 -12.4440 -11.2616 -11.2616 -10.5087 -10.5087 -9.9124 -9.9124 -9.6885 -9.6885 -3.2225 -3.2225 -1.0480 -1.0480 0.5127 0.5127 0.8824 0.8824 1.2724 1.2724 1.5559 1.5559 1.7085 1.7085 2.2249 2.2249 2.5160 2.5160 3.0137 3.0137 3.3036 3.3036 3.7829 3.7829 4.0302 4.0302 4.3921 4.3921 4.6702 4.6702 5.0679 5.0679 5.5565 5.5565 5.8464 5.8464 6.2324 6.2324 6.4976 6.4976 6.5452 6.5452 6.7042 6.7042 7.2922 7.2922 11.1601 11.1601 12.3469 12.3469 12.5978 12.5978 15.1553 15.1553 15.6721 15.6721 16.2170 16.2170 k = 0.4211 0.2431-0.0000 ( 3736 PWs) bands (ev): -13.6206 -13.6206 -12.4883 -12.4883 -11.2645 -11.2645 -10.4964 -10.4964 -9.9236 -9.9236 -9.6901 -9.6901 -3.1733 -3.1733 -1.0613 -1.0613 0.5329 0.5329 0.8857 0.8857 1.2815 1.2815 1.5773 1.5773 1.7198 1.7198 2.2008 2.2008 2.4711 2.4711 2.9843 2.9843 3.2928 3.2928 3.7817 3.7817 4.0524 4.0524 4.3992 4.3992 4.6438 4.6438 5.0505 5.0505 5.5385 5.5385 5.8704 5.8704 6.2219 6.2219 6.4998 6.4998 6.5411 6.5411 6.7051 6.7051 7.3219 7.3219 11.2397 11.2397 12.3052 12.3052 12.5983 12.5983 15.1243 15.1243 15.6574 15.6574 16.2108 16.2108 k = 0.4342 0.2507-0.0000 ( 3734 PWs) bands (ev): -13.5909 -13.5909 -12.5283 -12.5283 -11.2669 -11.2669 -10.4855 -10.4855 -9.9335 -9.9335 -9.6915 -9.6915 -3.1301 -3.1301 -1.0735 -1.0735 0.5521 0.5521 0.8873 0.8873 1.2816 1.2816 1.6037 1.6037 1.7361 1.7361 2.1795 2.1795 2.4250 2.4250 2.9576 2.9576 3.2837 3.2837 3.7788 3.7788 4.0767 4.0767 4.4078 4.4078 4.6191 4.6191 5.0351 5.0351 5.5220 5.5220 5.8930 5.8930 6.2105 6.2105 6.5023 6.5023 6.5371 6.5371 6.7059 6.7059 7.3476 7.3476 11.3133 11.3133 12.2641 12.2641 12.5983 12.5983 15.0975 15.0975 15.6430 15.6430 16.2067 16.2067 k = 0.4474 0.2583-0.0000 ( 3732 PWs) bands (ev): -13.5646 -13.5646 -12.5630 -12.5630 -11.2689 -11.2689 -10.4761 -10.4761 -9.9421 -9.9421 -9.6926 -9.6926 -3.0937 -3.0937 -1.0842 -1.0842 0.5695 0.5695 0.8876 0.8876 1.2758 1.2758 1.6330 1.6330 1.7542 1.7542 2.1625 2.1625 2.3788 2.3788 2.9345 2.9345 3.2765 3.2765 3.7755 3.7755 4.1002 4.1002 4.4175 4.4175 4.5964 4.5964 5.0219 5.0219 5.5074 5.5074 5.9138 5.9138 6.1989 6.1989 6.5051 6.5051 6.5331 6.5331 6.7065 6.7065 7.3689 7.3689 11.3796 11.3796 12.2250 12.2250 12.5982 12.5982 15.0753 15.0753 15.6299 15.6299 16.2039 16.2039 k = 0.4605 0.2659-0.0000 ( 3728 PWs) bands (ev): -13.5426 -13.5426 -12.5915 -12.5915 -11.2705 -11.2705 -10.4685 -10.4685 -9.9491 -9.9491 -9.6936 -9.6936 -3.0647 -3.0647 -1.0930 -1.0930 0.5844 0.5844 0.8871 0.8871 1.2677 1.2677 1.6618 1.6618 1.7708 1.7708 2.1518 2.1518 2.3345 2.3345 2.9157 2.9157 3.2711 3.2711 3.7725 3.7725 4.1208 4.1208 4.4276 4.4276 4.5763 4.5763 5.0111 5.0111 5.4955 5.4955 5.9318 5.9318 6.1879 6.1879 6.5080 6.5080 6.5293 6.5293 6.7069 6.7069 7.3856 7.3856 11.4363 11.4363 12.1897 12.1897 12.5979 12.5979 15.0578 15.0578 15.6190 15.6190 16.2021 16.2021 k = 0.4737 0.2735-0.0000 ( 3728 PWs) bands (ev): -13.5260 -13.5260 -12.6128 -12.6128 -11.2716 -11.2716 -10.4630 -10.4630 -9.9542 -9.9542 -9.6942 -9.6942 -3.0435 -3.0435 -1.0995 -1.0995 0.5959 0.5959 0.8864 0.8864 1.2600 1.2600 1.6870 1.6870 1.7834 1.7834 2.1485 2.1485 2.2946 2.2946 2.9018 2.9018 3.2673 3.2673 3.7701 3.7701 4.1367 4.1367 4.4372 4.4372 4.5596 4.5596 5.0032 5.0032 5.4866 5.4866 5.9461 5.9461 6.1787 6.1787 6.5112 6.5112 6.5254 6.5254 6.7073 6.7073 7.3977 7.3977 11.4807 11.4807 12.1607 12.1607 12.5977 12.5977 15.0452 15.0452 15.6108 15.6108 16.2009 16.2009 k = 0.4868 0.2811-0.0000 ( 3726 PWs) bands (ev): -13.5156 -13.5156 -12.6261 -12.6261 -11.2723 -11.2723 -10.4595 -10.4595 -9.9574 -9.9574 -9.6946 -9.6946 -3.0307 -3.0307 -1.1036 -1.1036 0.6031 0.6031 0.8857 0.8857 1.2547 1.2547 1.7046 1.7046 1.7904 1.7904 2.1514 2.1514 2.2641 2.2641 2.8934 2.8934 3.2650 3.2650 3.7686 3.7686 4.1467 4.1467 4.4445 4.4445 4.5480 4.5480 4.9983 4.9983 5.4810 5.4810 5.9555 5.9555 6.1724 6.1724 6.5145 6.5145 6.5217 6.5217 6.7075 6.7075 7.4050 7.4050 11.5094 11.5094 12.1413 12.1413 12.5975 12.5975 15.0376 15.0376 15.6058 15.6058 16.2003 16.2003 k = 0.5000 0.2887-0.0000 ( 3728 PWs) bands (ev): -13.5121 -13.5121 -12.6305 -12.6305 -11.2725 -11.2725 -10.4584 -10.4584 -9.9584 -9.9584 -9.6947 -9.6947 -3.0263 -3.0263 -1.1050 -1.1050 0.6056 0.6056 0.8854 0.8854 1.2527 1.2527 1.7111 1.7111 1.7925 1.7925 2.1543 2.1543 2.2517 2.2517 2.8905 2.8905 3.2643 3.2643 3.7681 3.7681 4.1501 4.1501 4.4474 4.4474 4.5437 4.5437 4.9966 4.9966 5.4792 5.4792 5.9587 5.9587 6.1701 6.1701 6.5178 6.5178 6.5183 6.5183 6.7076 6.7076 7.4074 7.4074 11.5194 11.5194 12.1345 12.1345 12.5974 12.5974 15.0351 15.0351 15.6041 15.6041 16.2000 16.2000 k = 0.5000 0.2887-0.0000 ( 3728 PWs) bands (ev): -13.5121 -13.5121 -12.6305 -12.6305 -11.2725 -11.2725 -10.4584 -10.4584 -9.9584 -9.9584 -9.6947 -9.6947 -3.0263 -3.0263 -1.1050 -1.1050 0.6056 0.6056 0.8854 0.8854 1.2527 1.2527 1.7111 1.7111 1.7925 1.7925 2.1543 2.1543 2.2517 2.2517 2.8905 2.8905 3.2643 3.2643 3.7681 3.7681 4.1501 4.1501 4.4474 4.4474 4.5437 4.5437 4.9966 4.9966 5.4792 5.4792 5.9587 5.9587 6.1701 6.1701 6.5178 6.5178 6.5183 6.5183 6.7076 6.7076 7.4074 7.4074 11.5194 11.5194 12.1345 12.1345 12.5974 12.5974 15.0351 15.0351 15.6041 15.6041 16.2000 16.2000 k = 0.4924 0.3018-0.0000 ( 3724 PWs) bands (ev): -13.5111 -13.5111 -12.6314 -12.6314 -11.2733 -11.2733 -10.4579 -10.4579 -9.9597 -9.9597 -9.6936 -9.6936 -3.0239 -3.0239 -1.1074 -1.1074 0.6040 0.6040 0.8888 0.8888 1.2492 1.2492 1.7158 1.7158 1.7932 1.7932 2.1491 2.1491 2.2567 2.2567 2.8908 2.8908 3.2643 3.2643 3.7679 3.7679 4.1391 4.1391 4.4447 4.4447 4.5538 4.5538 4.9954 4.9954 5.4786 5.4786 5.9575 5.9575 6.1714 6.1714 6.5103 6.5103 6.5290 6.5290 6.7070 6.7070 7.4074 7.4074 11.5197 11.5197 12.1353 12.1353 12.5973 12.5973 15.0300 15.0300 15.5982 15.5982 16.2104 16.2104 k = 0.4848 0.3149-0.0000 ( 3726 PWs) bands (ev): -13.5083 -13.5083 -12.6338 -12.6338 -11.2756 -11.2756 -10.4565 -10.4565 -9.9636 -9.9636 -9.6904 -9.6904 -3.0168 -3.0168 -1.1147 -1.1147 0.5994 0.5994 0.8986 0.8986 1.2390 1.2390 1.7292 1.7292 1.7957 1.7957 2.1358 2.1358 2.2690 2.2690 2.8917 2.8917 3.2641 3.2641 3.7673 3.7673 4.1089 4.1089 4.4372 4.4372 4.5812 4.5812 4.9918 4.9918 5.4772 5.4772 5.9538 5.9538 6.1750 6.1750 6.5049 6.5049 6.5441 6.5441 6.7053 6.7053 7.4072 7.4072 11.5205 11.5205 12.1379 12.1379 12.5970 12.5970 15.0151 15.0151 15.5816 15.5816 16.2403 16.2403 k = 0.4773 0.3280-0.0000 ( 3718 PWs) bands (ev): -13.5036 -13.5036 -12.6379 -12.6379 -11.2794 -11.2794 -10.4541 -10.4541 -9.9697 -9.9697 -9.6853 -9.6853 -3.0048 -3.0048 -1.1268 -1.1268 0.5926 0.5926 0.9138 0.9138 1.2237 1.2237 1.7489 1.7489 1.8007 1.8007 2.1186 2.1186 2.2848 2.2848 2.8931 2.8931 3.2638 3.2638 3.7664 3.7664 4.0653 4.0653 4.4250 4.4250 4.6197 4.6197 4.9859 4.9859 5.4755 5.4755 5.9478 5.9478 6.1806 6.1806 6.5008 6.5008 6.5639 6.5639 6.7026 6.7026 7.4070 7.4070 11.5219 11.5219 12.1422 12.1422 12.5964 12.5964 14.9914 14.9914 15.5563 15.5563 16.2866 16.2866 k = 0.4697 0.3412-0.0000 ( 3726 PWs) bands (ev): -13.4970 -13.4970 -12.6437 -12.6437 -11.2846 -11.2846 -10.4509 -10.4509 -9.9779 -9.9779 -9.6786 -9.6786 -2.9882 -2.9882 -1.1435 -1.1435 0.5846 0.5846 0.9330 0.9330 1.2048 1.2048 1.7702 1.7702 1.8116 1.8116 2.1002 2.1002 2.3017 2.3017 2.8948 2.8948 3.2633 3.2633 3.7651 3.7651 4.0132 4.0132 4.4085 4.4085 4.6644 4.6644 4.9775 4.9775 5.4742 5.4742 5.9396 5.9396 6.1877 6.1877 6.4975 6.4975 6.5882 6.5882 6.6992 6.6992 7.4065 7.4065 11.5238 11.5238 12.1481 12.1481 12.5956 12.5956 14.9606 14.9606 15.5246 15.5246 16.3459 16.3459 k = 0.4621 0.3543-0.0000 ( 3734 PWs) bands (ev): -13.4885 -13.4885 -12.6513 -12.6513 -11.2910 -11.2910 -10.4467 -10.4467 -9.9878 -9.9878 -9.6708 -9.6708 -2.9669 -2.9669 -1.1649 -1.1649 0.5762 0.5762 0.9544 0.9544 1.1845 1.1845 1.7854 1.7854 1.8340 1.8340 2.0823 2.0823 2.3184 2.3184 2.8967 2.8967 3.2626 3.2626 3.7634 3.7634 3.9559 3.9559 4.3877 4.3877 4.7123 4.7123 4.9670 4.9670 5.4741 5.4741 5.9293 5.9293 6.1958 6.1958 6.4945 6.4945 6.6160 6.6160 6.6958 6.6958 7.4058 7.4058 11.5263 11.5263 12.1557 12.1557 12.5945 12.5945 14.9243 14.9243 15.4883 15.4883 16.4149 16.4149 k = 0.4545 0.3674-0.0000 ( 3744 PWs) bands (ev): -13.4782 -13.4782 -12.6605 -12.6605 -11.2985 -11.2985 -10.4415 -10.4415 -9.9990 -9.9990 -9.6622 -9.6622 -2.9411 -2.9411 -1.1908 -1.1908 0.5683 0.5683 0.9760 0.9760 1.1649 1.1649 1.7942 1.7942 1.8666 1.8666 2.0662 2.0662 2.3344 2.3344 2.8987 2.8987 3.2614 3.2614 3.7613 3.7613 3.8957 3.8957 4.3629 4.3629 4.7614 4.7614 4.9547 4.9547 5.4758 5.4758 5.9171 5.9171 6.2047 6.2047 6.4916 6.4916 6.6433 6.6433 6.6960 6.6960 7.4048 7.4048 11.5294 11.5294 12.1648 12.1648 12.5929 12.5929 14.8845 14.8845 15.4483 15.4483 16.4913 16.4913 k = 0.4470 0.3805-0.0000 ( 3740 PWs) bands (ev): -13.4659 -13.4659 -12.6716 -12.6716 -11.3069 -11.3069 -10.4355 -10.4355 -10.0113 -10.0113 -9.6531 -9.6531 -2.9108 -2.9108 -1.2209 -1.2209 0.5613 0.5613 0.9944 0.9944 1.1493 1.1493 1.8005 1.8005 1.9034 1.9034 2.0537 2.0537 2.3494 2.3494 2.9004 2.9004 3.2594 3.2594 3.7584 3.7584 3.8344 3.8344 4.3343 4.3343 4.8105 4.8105 4.9411 4.9411 5.4797 5.4797 5.9033 5.9033 6.2141 6.2141 6.4886 6.4886 6.6574 6.6574 6.7117 6.7117 7.4033 7.4033 11.5330 11.5330 12.1755 12.1755 12.5910 12.5910 14.8428 14.8428 15.4055 15.4055 16.5732 16.5732 k = 0.4394 0.3936-0.0000 ( 3732 PWs) bands (ev): -13.4519 -13.4519 -12.6846 -12.6846 -11.3160 -11.3160 -10.4286 -10.4286 -10.0245 -10.0245 -9.6438 -9.6438 -2.8762 -2.8762 -1.2551 -1.2551 0.5557 0.5557 1.0046 1.0046 1.1424 1.1424 1.8059 1.8059 1.9397 1.9397 2.0477 2.0477 2.3630 2.3630 2.9016 2.9016 3.2562 3.2562 3.7510 3.7510 3.7771 3.7771 4.3023 4.3023 4.8587 4.8587 4.9269 4.9269 5.4858 5.4858 5.8881 5.8881 6.2239 6.2239 6.4854 6.4854 6.6550 6.6550 6.7454 6.7454 7.4012 7.4012 11.5373 11.5373 12.1876 12.1876 12.5884 12.5884 14.8006 14.8006 15.3603 15.3603 16.6590 16.6590 k = 0.4318 0.4068-0.0000 ( 3738 PWs) bands (ev): -13.4360 -13.4360 -12.6995 -12.6995 -11.3256 -11.3256 -10.4208 -10.4208 -10.0383 -10.0383 -9.6346 -9.6346 -2.8374 -2.8374 -1.2933 -1.2933 0.5516 0.5516 1.0026 1.0026 1.1478 1.1478 1.8109 1.8109 1.9684 1.9684 2.0548 2.0548 2.3752 2.3752 2.9023 2.9023 3.2510 3.2510 3.7063 3.7063 3.7580 3.7580 4.2674 4.2674 4.9013 4.9013 4.9169 4.9169 5.4940 5.4940 5.8718 5.8718 6.2341 6.2341 6.4820 6.4820 6.6464 6.6464 6.7861 6.7861 7.3984 7.3984 11.5420 11.5420 12.2010 12.2010 12.5851 12.5851 14.7593 14.7593 15.3131 15.3131 16.7472 16.7472 k = 0.4242 0.4199-0.0000 ( 3732 PWs) bands (ev): -13.4182 -13.4182 -12.7163 -12.7163 -11.3354 -11.3354 -10.4121 -10.4121 -10.0527 -10.0527 -9.6256 -9.6256 -2.7946 -2.7946 -1.3351 -1.3351 0.5494 0.5494 0.9899 0.9899 1.1634 1.1634 1.8157 1.8157 1.9837 1.9837 2.0806 2.0806 2.3860 2.3860 2.9020 2.9020 3.2426 3.2426 3.6492 3.6492 3.7537 3.7537 4.2302 4.2302 4.8959 4.8959 4.9535 4.9535 5.5041 5.5041 5.8547 5.8547 6.2448 6.2448 6.4783 6.4783 6.6351 6.6351 6.8293 6.8293 7.3948 7.3948 11.5474 11.5474 12.2157 12.2157 12.5811 12.5811 14.7198 14.7198 15.2645 15.2645 16.8360 16.8360 k = 0.4167 0.4330-0.0000 ( 3732 PWs) bands (ev): -13.3986 -13.3986 -12.7351 -12.7351 -11.3453 -11.3453 -10.4025 -10.4025 -10.0676 -10.0676 -9.6171 -9.6171 -2.7480 -2.7480 -1.3804 -1.3804 0.5491 0.5491 0.9709 0.9709 1.1843 1.1843 1.8205 1.8205 1.9912 1.9912 2.1196 2.1196 2.3953 2.3953 2.9007 2.9007 3.2291 3.2291 3.5960 3.5960 3.7501 3.7501 4.1914 4.1914 4.8828 4.8828 4.9966 4.9966 5.5157 5.5157 5.8369 5.8369 6.2560 6.2560 6.4743 6.4743 6.6221 6.6221 6.8736 6.8736 7.3903 7.3903 11.5532 11.5532 12.2315 12.2315 12.5762 12.5762 14.6829 14.6829 15.2150 15.2150 16.9218 16.9218 k = 0.4091 0.4461-0.0000 ( 3726 PWs) bands (ev): -13.3772 -13.3772 -12.7559 -12.7559 -11.3550 -11.3550 -10.3922 -10.3922 -10.0828 -10.0828 -9.6091 -9.6091 -2.6977 -2.6977 -1.4290 -1.4290 0.5509 0.5509 0.9489 0.9489 1.2065 1.2065 1.8256 1.8256 1.9981 1.9981 2.1640 2.1640 2.4030 2.4030 2.8983 2.8983 3.2082 3.2082 3.5501 3.5501 3.7463 3.7463 4.1519 4.1519 4.8705 4.8705 5.0376 5.0376 5.5285 5.5285 5.8190 5.8190 6.2677 6.2677 6.4700 6.4700 6.6078 6.6078 6.9181 6.9181 7.3848 7.3848 11.5596 11.5596 12.2483 12.2483 12.5703 12.5703 14.6494 14.6494 15.1651 15.1651 16.9948 16.9948 k = 0.4015 0.4593-0.0000 ( 3730 PWs) bands (ev): -13.3540 -13.3540 -12.7787 -12.7787 -11.3643 -11.3643 -10.3810 -10.3810 -10.0983 -10.0983 -9.6018 -9.6018 -2.6440 -2.6440 -1.4806 -1.4806 0.5546 0.5546 0.9256 0.9256 1.2277 1.2277 1.8314 1.8314 2.0076 2.0076 2.2105 2.2105 2.4095 2.4095 2.8947 2.8947 3.1781 3.1781 3.5138 3.5138 3.7421 3.7421 4.1126 4.1126 4.8594 4.8594 5.0759 5.0759 5.5422 5.5422 5.8011 5.8011 6.2800 6.2800 6.4654 6.4654 6.5924 6.5924 6.9619 6.9619 7.3781 7.3781 11.5664 11.5664 12.2660 12.2660 12.5632 12.5632 14.6198 14.6198 15.1153 15.1153 17.0368 17.0368 k = 0.3939 0.4724-0.0000 ( 3736 PWs) bands (ev): -13.3291 -13.3291 -12.8036 -12.8036 -11.3730 -11.3730 -10.3690 -10.3690 -10.1140 -10.1140 -9.5953 -9.5953 -2.5872 -2.5872 -1.5351 -1.5351 0.5602 0.5602 0.9018 0.9018 1.2465 1.2465 1.8381 1.8381 2.0204 2.0204 2.2575 2.2575 2.4146 2.4146 2.8896 2.8896 3.1382 3.1382 3.4881 3.4881 3.7371 3.7371 4.0746 4.0746 4.8497 4.8497 5.1111 5.1111 5.5565 5.5565 5.7835 5.7835 6.2929 6.2929 6.4606 6.4606 6.5762 6.5762 7.0046 7.0046 7.3703 7.3703 11.5735 11.5735 12.2843 12.2843 12.5548 12.5548 14.5945 14.5945 15.0664 15.0664 17.0528 17.0529 k = 0.3864 0.4855-0.0000 ( 3738 PWs) bands (ev): -13.3024 -13.3024 -12.8304 -12.8304 -11.3810 -11.3810 -10.3563 -10.3563 -10.1301 -10.1301 -9.5895 -9.5895 -2.5274 -2.5274 -1.5923 -1.5923 0.5678 0.5678 0.8781 0.8781 1.2623 1.2623 1.8459 1.8459 2.0368 2.0368 2.3041 2.3041 2.4188 2.4188 2.8828 2.8828 3.0902 3.0902 3.4720 3.4720 3.7311 3.7311 4.0389 4.0389 4.8413 4.8413 5.1430 5.1430 5.5711 5.5711 5.7665 5.7665 6.3063 6.3063 6.4555 6.4555 6.5594 6.5594 7.0457 7.0457 7.3612 7.3612 11.5809 11.5809 12.3032 12.3032 12.5450 12.5450 14.5736 14.5736 15.0190 15.0190 17.0594 17.0594 k = 0.3788 0.4986-0.0000 ( 3722 PWs) bands (ev): -13.2739 -13.2739 -12.8592 -12.8592 -11.3882 -11.3882 -10.3428 -10.3428 -10.1463 -10.1463 -9.5845 -9.5845 -2.4649 -2.4649 -1.6519 -1.6519 0.5772 0.5772 0.8548 0.8548 1.2748 1.2748 1.8544 1.8544 2.0564 2.0564 2.3492 2.3492 2.4227 2.4227 2.8736 2.8736 3.0377 3.0377 3.4633 3.4633 3.7240 3.7240 4.0068 4.0068 4.8344 4.8344 5.1711 5.1711 5.5859 5.5859 5.7502 5.7502 6.3201 6.3201 6.4503 6.4503 6.5424 6.5424 7.0846 7.0846 7.3509 7.3509 11.5885 11.5885 12.3226 12.3226 12.5339 12.5339 14.5574 14.5574 14.9740 14.9740 17.0627 17.0627 k = 0.3712 0.5117-0.0000 ( 3718 PWs) bands (ev): -13.2437 -13.2437 -12.8898 -12.8898 -11.3944 -11.3944 -10.3286 -10.3286 -10.1627 -10.1627 -9.5803 -9.5803 -2.4001 -2.4001 -1.7138 -1.7138 0.5882 0.5882 0.8321 0.8321 1.2841 1.2841 1.8631 1.8631 2.0786 2.0786 2.3908 2.3908 2.4280 2.4280 2.8600 2.8600 2.9855 2.9855 3.4597 3.4597 3.7156 3.7156 3.9792 3.9792 4.8288 4.8288 5.1952 5.1952 5.6007 5.6007 5.7349 5.7349 6.3342 6.3342 6.4450 6.4450 6.5255 6.5255 7.1211 7.1211 7.3393 7.3393 11.5959 11.5959 12.3421 12.3421 12.5212 12.5212 14.5456 14.5456 14.9323 14.9323 17.0646 17.0646 k = 0.3636 0.5249-0.0000 ( 3720 PWs) bands (ev): -13.2119 -13.2119 -12.9223 -12.9223 -11.3995 -11.3995 -10.3137 -10.3137 -10.1794 -10.1794 -9.5769 -9.5769 -2.3332 -2.3332 -1.7779 -1.7779 0.6003 0.6003 0.8106 0.8106 1.2905 1.2905 1.8715 1.8715 2.1021 2.1021 2.4177 2.4177 2.4455 2.4455 2.8376 2.8376 2.9414 2.9414 3.4591 3.4591 3.7063 3.7063 3.9570 3.9570 4.8244 4.8244 5.2150 5.2150 5.6153 5.6153 5.7204 5.7204 6.3482 6.3482 6.4400 6.4400 6.5092 6.5092 7.1546 7.1546 7.3265 7.3265 11.6029 11.6029 12.3617 12.3617 12.5071 12.5071 14.5379 14.5379 14.8949 14.8949 17.0659 17.0659 k = 0.3561 0.5380-0.0000 ( 3714 PWs) bands (ev): -13.1783 -13.1783 -12.9564 -12.9564 -11.4035 -11.4035 -10.2982 -10.2982 -10.1963 -10.1963 -9.5744 -9.5744 -2.2647 -2.2647 -1.8438 -1.8438 0.6130 0.6130 0.7906 0.7906 1.2946 1.2946 1.8788 1.8788 2.1252 2.1252 2.4266 2.4266 2.4778 2.4778 2.8027 2.8027 2.9126 2.9126 3.4602 3.4602 3.6968 3.6968 3.9404 3.9404 4.8211 4.8211 5.2305 5.2305 5.6295 5.6295 5.7068 5.7068 6.3614 6.3614 6.4355 6.4355 6.4941 6.4941 7.1850 7.1850 7.3127 7.3127 11.6093 11.6093 12.3812 12.3812 12.4916 12.4916 14.5338 14.5338 14.8632 14.8632 17.0667 17.0667 k = 0.3485 0.5511-0.0000 ( 3710 PWs) bands (ev): -13.1432 -13.1432 -12.9922 -12.9922 -11.4064 -11.4064 -10.2821 -10.2821 -10.2133 -10.2133 -9.5726 -9.5726 -2.1947 -2.1947 -1.9116 -1.9116 0.6252 0.6252 0.7735 0.7735 1.2969 1.2969 1.8845 1.8845 2.1453 2.1453 2.4336 2.4336 2.5062 2.5062 2.7625 2.7625 2.8974 2.8974 3.4617 3.4617 3.6883 3.6883 3.9293 3.9293 4.8188 4.8188 5.2414 5.2414 5.6434 5.6434 5.6939 5.6939 6.3728 6.3728 6.4323 6.4323 6.4809 6.4809 7.2115 7.2115 7.2981 7.2981 11.6146 11.6146 12.4003 12.4003 12.4751 12.4751 14.5323 14.5323 14.8385 14.8385 17.0673 17.0673 k = 0.3409 0.5642-0.0000 ( 3710 PWs) bands (ev): -13.1065 -13.1065 -13.0293 -13.0293 -11.4081 -11.4081 -10.2653 -10.2653 -10.2306 -10.2306 -9.5715 -9.5715 -2.1238 -2.1238 -1.9811 -1.9811 0.6346 0.6346 0.7610 0.7610 1.2980 1.2980 1.8883 1.8883 2.1594 2.1594 2.4415 2.4415 2.5229 2.5229 2.7312 2.7312 2.8899 2.8899 3.4628 3.4628 3.6824 3.6824 3.9231 3.9231 4.8175 4.8175 5.2479 5.2479 5.6566 5.6566 5.6815 5.6815 6.3805 6.3805 6.4313 6.4313 6.4710 6.4710 7.2327 7.2327 7.2841 7.2841 11.6183 11.6183 12.4186 12.4186 12.4581 12.4581 14.5321 14.5321 14.8227 14.8227 17.0676 17.0676 k = 0.3333 0.5774-0.0000 ( 3696 PWs) bands (ev): -13.0711 -13.0711 -13.0648 -13.0648 -11.4086 -11.4086 -10.2481 -10.2481 -10.2480 -10.2480 -9.5712 -9.5712 -2.0523 -2.0523 -2.0521 -2.0521 0.6385 0.6385 0.7563 0.7563 1.2983 1.2983 1.8896 1.8896 2.1647 2.1647 2.4465 2.4465 2.5261 2.5261 2.7200 2.7200 2.8876 2.8876 3.4631 3.4631 3.6802 3.6802 3.9212 3.9212 4.8171 4.8171 5.2501 5.2501 5.6683 5.6683 5.6701 5.6701 6.3830 6.3830 6.4316 6.4316 6.4670 6.4670 7.2426 7.2426 7.2767 7.2767 11.6197 11.6197 12.4312 12.4312 12.4459 12.4459 14.5323 14.5323 14.8171 14.8171 17.0677 17.0677 k = 0.3333 0.5774-0.0000 ( 3696 PWs) bands (ev): -13.0711 -13.0711 -13.0648 -13.0648 -11.4086 -11.4086 -10.2481 -10.2481 -10.2480 -10.2480 -9.5712 -9.5712 -2.0523 -2.0523 -2.0521 -2.0521 0.6385 0.6385 0.7563 0.7563 1.2983 1.2983 1.8896 1.8896 2.1647 2.1647 2.4465 2.4465 2.5261 2.5261 2.7200 2.7200 2.8876 2.8876 3.4631 3.4631 3.6802 3.6802 3.9212 3.9212 4.8171 4.8171 5.2501 5.2501 5.6683 5.6683 5.6701 5.6701 6.3830 6.3830 6.4316 6.4316 6.4670 6.4670 7.2426 7.2426 7.2767 7.2767 11.6197 11.6197 12.4312 12.4312 12.4459 12.4459 14.5323 14.5323 14.8171 14.8171 17.0677 17.0677 k = 0.3258 0.5642-0.0000 ( 3712 PWs) bands (ev): -13.1078 -13.1078 -13.0279 -13.0279 -11.4081 -11.4081 -10.2657 -10.2657 -10.2303 -10.2303 -9.5715 -9.5715 -2.1247 -2.1247 -1.9803 -1.9803 0.6344 0.6344 0.7612 0.7612 1.2981 1.2981 1.8882 1.8882 2.1588 2.1588 2.4375 2.4375 2.5302 2.5302 2.7286 2.7286 2.8900 2.8900 3.4629 3.4629 3.6825 3.6825 3.9229 3.9229 4.8175 4.8175 5.2480 5.2480 5.6570 5.6570 5.6810 5.6810 6.3810 6.3810 6.4305 6.4305 6.4713 6.4713 7.2337 7.2337 7.2831 7.2831 11.6180 11.6180 12.4191 12.4191 12.4579 12.4579 14.5320 14.5320 14.8229 14.8229 17.0676 17.0676 k = 0.3182 0.5511-0.0000 ( 3716 PWs) bands (ev): -13.1484 -13.1484 -12.9866 -12.9866 -11.4065 -11.4065 -10.2835 -10.2835 -10.2120 -10.2120 -9.5724 -9.5724 -2.1985 -2.1985 -1.9086 -1.9086 0.6234 0.6234 0.7749 0.7749 1.2976 1.2976 1.8838 1.8838 2.1408 2.1408 2.4131 2.4131 2.5466 2.5466 2.7475 2.7475 2.8974 2.8974 3.4628 3.4628 3.6894 3.6894 3.9278 3.9278 4.8188 4.8188 5.2418 5.2418 5.6447 5.6447 5.6919 5.6919 6.3765 6.3765 6.4279 6.4279 6.4821 6.4821 7.2163 7.2163 7.2931 7.2931 11.6124 11.6124 12.4026 12.4026 12.4742 12.4742 14.5314 14.5314 14.8400 14.8400 17.0673 17.0673 k = 0.3106 0.5380-0.0000 ( 3712 PWs) bands (ev): -13.1900 -13.1900 -12.9437 -12.9437 -11.4038 -11.4038 -10.3015 -10.3015 -10.1933 -10.1933 -9.5739 -9.5739 -2.2736 -2.2736 -1.8374 -1.8374 0.6082 0.6082 0.7944 0.7944 1.2968 1.2968 1.8763 1.8763 2.1108 2.1108 2.3853 2.3853 2.5700 2.5700 2.7696 2.7696 2.9107 2.9107 3.4638 3.4638 3.7006 3.7006 3.9355 3.9355 4.8209 4.8209 5.2317 5.2317 5.6323 5.6323 5.7017 5.7017 6.3709 6.3709 6.4258 6.4258 6.4961 6.4961 7.1964 7.1964 7.3007 7.3007 11.6020 11.6020 12.3875 12.3875 12.4902 12.4902 14.5313 14.5313 14.8677 14.8677 17.0668 17.0668 k = 0.3030 0.5249-0.0000 ( 3714 PWs) bands (ev): -13.2323 -13.2323 -12.8995 -12.8995 -11.4001 -11.4001 -10.3196 -10.3196 -10.1742 -10.1742 -9.5758 -9.5758 -2.3498 -2.3498 -1.7672 -1.7672 0.5907 0.5907 0.8177 0.8177 1.2957 1.2957 1.8651 1.8651 2.0708 2.0708 2.3615 2.3615 2.5947 2.5947 2.7911 2.7911 2.9308 2.9308 3.4668 3.4668 3.7155 3.7155 3.9456 3.9456 4.8238 4.8238 5.2177 5.2177 5.6202 5.6202 5.7103 5.7103 6.3647 6.3647 6.4252 6.4252 6.5115 6.5115 7.1752 7.1752 7.3048 7.3048 11.5858 11.5858 12.3748 12.3748 12.5053 12.5053 14.5329 14.5329 14.9049 14.9049 17.0662 17.0662 k = 0.2955 0.5117-0.0000 ( 3718 PWs) bands (ev): -13.2752 -13.2752 -12.8538 -12.8538 -11.3956 -11.3956 -10.3379 -10.3379 -10.1548 -10.1548 -9.5782 -9.5782 -2.4271 -2.4271 -1.6982 -1.6982 0.5721 0.5721 0.8435 0.8435 1.2938 1.2938 1.8492 1.8492 2.0250 2.0250 2.3434 2.3434 2.6177 2.6177 2.8103 2.8103 2.9579 2.9579 3.4725 3.4725 3.7335 3.7335 3.9583 3.9583 4.8278 4.8278 5.2000 5.2000 5.6088 5.6088 5.7175 5.7175 6.3585 6.3585 6.4263 6.4263 6.5275 6.5275 7.1530 7.1530 7.3050 7.3050 11.5631 11.5631 12.3655 12.3655 12.5194 12.5194 14.5371 14.5371 14.9504 14.9504 17.0654 17.0654 k = 0.2879 0.4986-0.0000 ( 3718 PWs) bands (ev): -13.3185 -13.3185 -12.8069 -12.8069 -11.3901 -11.3901 -10.3562 -10.3562 -10.1351 -10.1351 -9.5809 -9.5809 -2.5053 -2.5053 -1.6309 -1.6309 0.5530 0.5530 0.8709 0.8709 1.2907 1.2907 1.8267 1.8267 1.9791 1.9791 2.3307 2.3307 2.6378 2.6378 2.8268 2.8268 2.9910 2.9910 3.4815 3.4815 3.7540 3.7540 3.9733 3.9733 4.8328 4.8328 5.1788 5.1788 5.5984 5.5984 5.7233 5.7233 6.3525 6.3525 6.4290 6.4290 6.5436 6.5436 7.1301 7.1301 7.3013 7.3013 11.5330 11.5330 12.3603 12.3603 12.5324 12.5324 14.5449 14.5449 15.0030 15.0030 17.0644 17.0644 k = 0.2803 0.4855-0.0000 ( 3720 PWs) bands (ev): -13.3621 -13.3621 -12.7586 -12.7586 -11.3840 -11.3840 -10.3747 -10.3747 -10.1151 -10.1151 -9.5839 -9.5839 -2.5845 -2.5845 -1.5657 -1.5657 0.5338 0.5338 0.8994 0.8994 1.2859 1.2859 1.7941 1.7941 1.9399 1.9399 2.3227 2.3227 2.6546 2.6546 2.8413 2.8413 3.0284 3.0284 3.4938 3.4938 3.7765 3.7765 3.9909 3.9909 4.8390 4.8390 5.1544 5.1544 5.5894 5.5894 5.7276 5.7276 6.3468 6.3468 6.4333 6.4333 6.5594 6.5594 7.1066 7.1066 7.2935 7.2935 11.4954 11.4954 12.3596 12.3596 12.5441 12.5441 14.5568 14.5568 15.0620 15.0620 17.0631 17.0631 k = 0.2727 0.4724-0.0000 ( 3728 PWs) bands (ev): -13.4058 -13.4058 -12.7092 -12.7092 -11.3771 -11.3771 -10.3933 -10.3933 -10.0950 -10.0950 -9.5872 -9.5872 -2.6644 -2.6644 -1.5028 -1.5028 0.5147 0.5147 0.9284 0.9284 1.2788 1.2788 1.7495 1.7495 1.9118 1.9118 2.3187 2.3187 2.6683 2.6683 2.8542 2.8542 3.0682 3.0682 3.5095 3.5095 3.8004 3.8004 4.0113 4.0113 4.8465 4.8465 5.1272 5.1272 5.5824 5.5824 5.7302 5.7302 6.3415 6.3415 6.4386 6.4386 6.5749 6.5749 7.0827 7.0827 7.2818 7.2818 11.4502 11.4502 12.3635 12.3635 12.5545 12.5545 14.5732 14.5732 15.1264 15.1264 17.0615 17.0615 k = 0.2652 0.4593-0.0000 ( 3736 PWs) bands (ev): -13.4496 -13.4496 -12.6586 -12.6586 -11.3696 -11.3696 -10.4119 -10.4119 -10.0746 -10.0746 -9.5906 -9.5906 -2.7451 -2.7451 -1.4427 -1.4427 0.4958 0.4958 0.9576 0.9576 1.2689 1.2689 1.6953 1.6953 1.8948 1.8948 2.3183 2.3183 2.6795 2.6795 2.8662 2.8662 3.1084 3.1084 3.5284 3.5284 3.8249 3.8249 4.0350 4.0350 4.8555 4.8555 5.0980 5.0980 5.5774 5.5774 5.7310 5.7310 6.3366 6.3366 6.4447 6.4447 6.5897 6.5897 7.0586 7.0586 7.2662 7.2662 11.3976 11.3976 12.3719 12.3719 12.5635 12.5635 14.5942 14.5942 15.1958 15.1958 17.0589 17.0589 k = 0.2576 0.4461-0.0000 ( 3740 PWs) bands (ev): -13.4932 -13.4932 -12.6069 -12.6069 -11.3615 -11.3615 -10.4306 -10.4306 -10.0542 -10.0542 -9.5942 -9.5942 -2.8265 -2.8265 -1.3854 -1.3854 0.4774 0.4774 0.9861 0.9861 1.2560 1.2560 1.6360 1.6360 1.8861 1.8861 2.3211 2.3211 2.6888 2.6888 2.8778 2.8778 3.1476 3.1476 3.5503 3.5503 3.8493 3.8493 4.0626 4.0626 4.8661 4.8661 5.0674 5.0674 5.5746 5.5746 5.7302 5.7302 6.3323 6.3323 6.4512 6.4512 6.6038 6.6038 7.0342 7.0342 7.2468 7.2468 11.3380 11.3380 12.3846 12.3846 12.5711 12.5711 14.6199 14.6199 15.2694 15.2694 17.0541 17.0541 k = 0.2500 0.4330-0.0000 ( 3736 PWs) bands (ev): -13.5366 -13.5366 -12.5542 -12.5542 -11.3530 -11.3530 -10.4493 -10.4493 -10.0338 -10.0338 -9.5978 -9.5978 -2.9084 -2.9084 -1.3313 -1.3313 0.4595 0.4595 1.0131 1.0131 1.2402 1.2402 1.5745 1.5745 1.8840 1.8840 2.3269 2.3269 2.6968 2.6968 2.8894 2.8894 3.1847 3.1847 3.5747 3.5747 3.8727 3.8727 4.0946 4.0946 4.8785 4.8785 5.0364 5.0364 5.5739 5.5739 5.7276 5.7276 6.3283 6.3283 6.4578 6.4578 6.6170 6.6170 7.0098 7.0098 7.2238 7.2238 11.2721 11.2721 12.4011 12.4011 12.5772 12.5772 14.6502 14.6502 15.3467 15.3467 17.0431 17.0431 k = 0.2424 0.4199-0.0000 ( 3732 PWs) bands (ev): -13.5797 -13.5797 -12.5005 -12.5005 -11.3440 -11.3440 -10.4680 -10.4680 -10.0133 -10.0133 -9.6015 -9.6015 -2.9908 -2.9908 -1.2804 -1.2804 0.4422 0.4422 1.0369 1.0369 1.2228 1.2228 1.5129 1.5129 1.8871 1.8871 2.3351 2.3351 2.7039 2.7039 2.9015 2.9015 3.2188 3.2188 3.6013 3.6013 3.8941 3.8941 4.1316 4.1316 4.8928 4.8928 5.0061 5.0061 5.5754 5.5754 5.7233 5.7233 6.3249 6.3249 6.4639 6.4639 6.6291 6.6291 6.9856 6.9856 7.1974 7.1974 11.2004 11.2004 12.4210 12.4210 12.5816 12.5816 14.6849 14.6849 15.4272 15.4272 17.0147 17.0147 k = 0.2348 0.4068-0.0000 ( 3744 PWs) bands (ev): -13.6223 -13.6223 -12.4461 -12.4461 -11.3347 -11.3347 -10.4866 -10.4866 -9.9929 -9.9929 -9.6051 -9.6051 -3.0736 -3.0736 -1.2330 -1.2330 0.4256 0.4256 1.0546 1.0546 1.2060 1.2060 1.4528 1.4528 1.8948 1.8948 2.3454 2.3454 2.7106 2.7106 2.9143 2.9143 3.2496 3.2496 3.6295 3.6295 3.9132 3.9132 4.1739 4.1739 4.9088 4.9088 4.9777 4.9777 5.5788 5.5788 5.7175 5.7175 6.3218 6.3218 6.4693 6.4693 6.6401 6.6401 6.9616 6.9616 7.1678 7.1678 11.1235 11.1235 12.4440 12.4440 12.5845 12.5845 14.7237 14.7237 15.5102 15.5102 16.9592 16.9592 k = 0.2273 0.3936-0.0000 ( 3734 PWs) bands (ev): -13.6643 -13.6643 -12.3908 -12.3908 -11.3251 -11.3251 -10.5052 -10.5052 -9.9726 -9.9726 -9.6086 -9.6086 -3.1566 -3.1566 -1.1890 -1.1890 0.4098 0.4098 1.0612 1.0612 1.1940 1.1940 1.3960 1.3960 1.9061 1.9061 2.3570 2.3570 2.7172 2.7172 2.9281 2.9281 3.2770 3.2770 3.6589 3.6589 3.9296 3.9296 4.2214 4.2214 4.9252 4.9252 4.9536 4.9536 5.5840 5.5840 5.7105 5.7105 6.3189 6.3189 6.4736 6.4736 6.6496 6.6496 6.9381 6.9381 7.1353 7.1353 11.0420 11.0420 12.4695 12.4695 12.5858 12.5858 14.7663 14.7663 15.5951 15.5951 16.8869 16.8869 k = 0.2197 0.3805-0.0000 ( 3734 PWs) bands (ev): -13.7057 -13.7057 -12.3348 -12.3348 -11.3153 -11.3153 -10.5236 -10.5236 -9.9525 -9.9525 -9.6120 -9.6120 -3.2399 -3.2399 -1.1485 -1.1485 0.3949 0.3949 1.0525 1.0525 1.1881 1.1881 1.3460 1.3460 1.9206 1.9206 2.3694 2.3694 2.7236 2.7236 2.9432 2.9432 3.3017 3.3017 3.6887 3.6887 3.9437 3.9437 4.2736 4.2736 4.9233 4.9233 4.9533 4.9533 5.5905 5.5905 5.7024 5.7024 6.3162 6.3162 6.4765 6.4765 6.6575 6.6575 6.9152 6.9152 7.1005 7.1005 10.9563 10.9563 12.4972 12.4972 12.5854 12.5854 14.8122 14.8122 15.6810 15.6810 16.8093 16.8093 k = 0.2121 0.3674-0.0000 ( 3732 PWs) bands (ev): -13.7464 -13.7464 -12.2783 -12.2783 -11.3054 -11.3054 -10.5420 -10.5420 -9.9326 -9.9326 -9.6153 -9.6153 -3.3231 -3.3231 -1.1115 -1.1115 0.3810 0.3810 1.0304 1.0304 1.1797 1.1797 1.3105 1.3105 1.9373 1.9373 2.3817 2.3817 2.7296 2.7296 2.9599 2.9599 3.3241 3.3241 3.7185 3.7185 3.9561 3.9561 4.3300 4.3300 4.9064 4.9064 4.9746 4.9746 5.5979 5.5979 5.6939 5.6939 6.3135 6.3135 6.4776 6.4776 6.6633 6.6633 6.8932 6.8932 7.0638 7.0638 10.8670 10.8670 12.5268 12.5268 12.5833 12.5833 14.8608 14.8608 15.7669 15.7669 16.7316 16.7316 k = 0.2045 0.3543-0.0000 ( 3736 PWs) bands (ev): -13.7862 -13.7862 -12.2213 -12.2213 -11.2953 -11.2953 -10.5601 -10.5601 -9.9130 -9.9130 -9.6184 -9.6184 -3.4064 -3.4064 -1.0778 -1.0778 0.3680 0.3680 0.9996 0.9996 1.1551 1.1551 1.2988 1.2988 1.9557 1.9557 2.3934 2.3934 2.7344 2.7344 2.9784 2.9784 3.3452 3.3452 3.7476 3.7476 3.9677 3.9677 4.3896 4.3896 4.8927 4.8927 4.9996 4.9996 5.6053 5.6053 5.6859 5.6859 6.3106 6.3106 6.4767 6.4767 6.6665 6.6665 6.8721 6.8721 7.0261 7.0261 10.7744 10.7744 12.5580 12.5580 12.5798 12.5798 14.9114 14.9114 15.8510 15.8510 16.6573 16.6573 k = 0.1970 0.3412-0.0000 ( 3740 PWs) bands (ev): -13.8252 -13.8252 -12.1639 -12.1639 -11.2852 -11.2852 -10.5781 -10.5781 -9.8937 -9.8937 -9.6214 -9.6214 -3.4893 -3.4893 -1.0474 -1.0474 0.3562 0.3562 0.9641 0.9641 1.1156 1.1156 1.3063 1.3063 1.9752 1.9752 2.4040 2.4040 2.7371 2.7371 2.9987 2.9987 3.3660 3.3660 3.7757 3.7757 3.9798 3.9798 4.4517 4.4517 4.8840 4.8840 5.0271 5.0271 5.6110 5.6110 5.6800 5.6800 6.3074 6.3074 6.4735 6.4735 6.6664 6.6664 6.8522 6.8522 6.9883 6.9883 10.6789 10.6789 12.5740 12.5740 12.5912 12.5912 14.9631 14.9631 15.9306 15.9306 16.5902 16.5902 k = 0.1894 0.3280-0.0000 ( 3734 PWs) bands (ev): -13.8631 -13.8631 -12.1063 -12.1063 -11.2751 -11.2751 -10.5959 -10.5959 -9.8748 -9.8748 -9.6240 -9.6240 -3.5720 -3.5720 -1.0201 -1.0201 0.3456 0.3456 0.9259 0.9259 1.0702 1.0702 1.3228 1.3228 1.9951 1.9951 2.4133 2.4133 2.7366 2.7366 3.0208 3.0208 3.3874 3.3874 3.8028 3.8028 3.9935 3.9935 4.5153 4.5153 4.8807 4.8807 5.0566 5.0566 5.6126 5.6126 5.6788 5.6788 6.3035 6.3035 6.4679 6.4679 6.6619 6.6619 6.8337 6.8337 6.9520 6.9520 10.5808 10.5808 12.5674 12.5674 12.6248 12.6248 15.0147 15.0147 16.0010 16.0010 16.5361 16.5361 k = 0.1818 0.3149-0.0000 ( 3742 PWs) bands (ev): -13.9001 -13.9001 -12.0486 -12.0486 -11.2651 -11.2651 -10.6134 -10.6134 -9.8564 -9.8564 -9.6265 -9.6265 -3.6541 -3.6541 -0.9958 -0.9958 0.3363 0.3363 0.8863 0.8863 1.0236 1.0236 1.3426 1.3426 2.0148 2.0148 2.4210 2.4210 2.7318 2.7318 3.0442 3.0442 3.4097 3.4097 3.8296 3.8296 4.0097 4.0097 4.5793 4.5793 4.8833 4.8833 5.0880 5.0880 5.6085 5.6085 5.6837 5.6837 6.2988 6.2988 6.4599 6.4599 6.6513 6.6513 6.8166 6.8166 6.9189 6.9189 10.4805 10.4805 12.5592 12.5592 12.6594 12.6594 15.0648 15.0648 16.0540 16.0540 16.5041 16.5041 k = 0.1742 0.3018-0.0000 ( 3738 PWs) bands (ev): -13.9359 -13.9359 -11.9909 -11.9909 -11.2551 -11.2551 -10.6306 -10.6306 -9.8384 -9.8384 -9.6287 -9.6287 -3.7355 -3.7355 -0.9743 -0.9743 0.3283 0.3283 0.8461 0.8461 0.9775 0.9775 1.3636 1.3636 2.0339 2.0339 2.4273 2.4273 2.7223 2.7223 3.0684 3.0684 3.4329 3.4329 3.8576 3.8576 4.0292 4.0292 4.6424 4.6424 4.8924 4.8924 5.1208 5.1208 5.5998 5.5998 5.6940 5.6940 6.2931 6.2931 6.4495 6.4495 6.6330 6.6330 6.8014 6.8014 6.8906 6.8906 10.3783 10.3783 12.5497 12.5497 12.6948 12.6948 15.1114 15.1114 16.0810 16.0810 16.5046 16.5046 k = 0.1667 0.2887-0.0000 ( 3742 PWs) bands (ev): -13.9706 -13.9706 -11.9334 -11.9334 -11.2452 -11.2452 -10.6474 -10.6474 -9.8210 -9.8210 -9.6306 -9.6306 -3.8160 -3.8160 -0.9554 -0.9554 0.3217 0.3217 0.8060 0.8060 0.9328 0.9328 1.3850 1.3850 2.0516 2.0516 2.4320 2.4320 2.7076 2.7076 3.0930 3.0930 3.4562 3.4562 3.8886 3.8886 4.0518 4.0518 4.7029 4.7029 4.9091 4.9091 5.1547 5.1547 5.5883 5.5883 5.7075 5.7075 6.2860 6.2860 6.4370 6.4370 6.6063 6.6063 6.7884 6.7884 6.8680 6.8680 10.2744 10.2744 12.5388 12.5388 12.7307 12.7307 15.1520 15.1520 16.0820 16.0820 16.5393 16.5393 k = 0.1591 0.2756-0.0000 ( 3730 PWs) bands (ev): -14.0041 -14.0041 -11.8762 -11.8762 -11.2355 -11.2355 -10.6640 -10.6640 -9.8042 -9.8042 -9.6323 -9.6323 -3.8954 -3.8954 -0.9389 -0.9389 0.3165 0.3165 0.7664 0.7664 0.8898 0.8898 1.4064 1.4064 2.0675 2.0675 2.4352 2.4352 2.6881 2.6881 3.1181 3.1181 3.4783 3.4783 3.9249 3.9249 4.0775 4.0775 4.7583 4.7583 4.9350 4.9350 5.1892 5.1892 5.5753 5.5753 5.7229 5.7229 6.2771 6.2771 6.4229 6.4229 6.5716 6.5716 6.7777 6.7777 6.8509 6.8509 10.1691 10.1691 12.5269 12.5269 12.7670 12.7670 15.1836 15.1836 16.0691 16.0691 16.5985 16.5985 k = 0.1515 0.2624-0.0000 ( 3728 PWs) bands (ev): -14.0363 -14.0363 -11.8194 -11.8194 -11.2260 -11.2260 -10.6801 -10.6801 -9.7881 -9.7881 -9.6338 -9.6338 -3.9735 -3.9735 -0.9246 -0.9246 0.3128 0.3128 0.7277 0.7277 0.8487 0.8487 1.4276 1.4276 2.0810 2.0810 2.4364 2.4364 2.6644 2.6644 3.1435 3.1435 3.4981 3.4981 3.9677 3.9677 4.1063 4.1063 4.8065 4.8065 4.9716 4.9716 5.2237 5.2237 5.5617 5.5617 5.7394 5.7394 6.2661 6.2661 6.4076 6.4076 6.5310 6.5310 6.7687 6.7687 6.8384 6.8384 10.0627 10.0627 12.5139 12.5139 12.8033 12.8033 15.2030 15.2030 16.0560 16.0560 16.6707 16.6707 k = 0.1439 0.2493-0.0000 ( 3724 PWs) bands (ev): -14.0672 -14.0672 -11.7634 -11.7634 -11.2166 -11.2166 -10.6958 -10.6958 -9.7726 -9.7726 -9.6349 -9.6349 -4.0501 -4.0501 -0.9124 -0.9124 0.3106 0.3106 0.6901 0.6901 0.8094 0.8094 1.4486 1.4486 2.0919 2.0919 2.4351 2.4351 2.6378 2.6378 3.1695 3.1695 3.5151 3.5151 4.0164 4.0164 4.1390 4.1390 4.8471 4.8471 5.0187 5.0187 5.2576 5.2576 5.5476 5.5476 5.7565 5.7565 6.2526 6.2526 6.3919 6.3919 6.4866 6.4866 6.7609 6.7609 6.8290 6.8290 9.9554 9.9554 12.5001 12.5001 12.8396 12.8396 15.2078 15.2078 16.0519 16.0519 16.7481 16.7481 k = 0.1364 0.2362-0.0000 ( 3722 PWs) bands (ev): -14.0968 -14.0968 -11.7082 -11.7082 -11.2075 -11.2075 -10.7111 -10.7111 -9.7579 -9.7579 -9.6359 -9.6359 -4.1250 -4.1250 -0.9021 -0.9021 0.3098 0.3098 0.6540 0.6540 0.7721 0.7721 1.4696 1.4696 2.0997 2.0997 2.4304 2.4304 2.6098 2.6098 3.1957 3.1957 3.5299 3.5299 4.0678 4.0678 4.1778 4.1778 4.8822 4.8822 5.0736 5.0736 5.2899 5.2899 5.5335 5.5335 5.7737 5.7737 6.2361 6.2361 6.3764 6.3764 6.4407 6.4407 6.7539 6.7539 6.8219 6.8219 9.8475 9.8475 12.4856 12.4856 12.8755 12.8755 15.1968 15.1968 16.0611 16.0611 16.8259 16.8259 k = 0.1288 0.2231-0.0000 ( 3712 PWs) bands (ev): -14.1249 -14.1249 -11.6540 -11.6540 -11.1987 -11.1987 -10.7259 -10.7259 -9.7439 -9.7439 -9.6366 -9.6366 -4.1979 -4.1979 -0.8934 -0.8934 0.3104 0.3104 0.6196 0.6196 0.7367 0.7367 1.4906 1.4906 2.1041 2.1041 2.4210 2.4210 2.5824 2.5824 3.2219 3.2219 3.5440 3.5440 4.1161 4.1161 4.2272 4.2272 4.9145 4.9145 5.1329 5.1329 5.3198 5.3198 5.5194 5.5194 5.7905 5.7905 6.2165 6.2165 6.3614 6.3614 6.3957 6.3957 6.7473 6.7473 6.8162 6.8162 9.7393 9.7393 12.4705 12.4705 12.9111 12.9111 15.1714 15.1714 16.0840 16.0840 16.9006 16.9006 k = 0.1212 0.2099-0.0000 ( 3716 PWs) bands (ev): -14.1517 -14.1517 -11.6011 -11.6011 -11.1901 -11.1901 -10.7402 -10.7402 -9.7308 -9.7308 -9.6370 -9.6370 -4.2686 -4.2686 -0.8862 -0.8862 0.3124 0.3124 0.5870 0.5870 0.7034 0.7034 1.5116 1.5116 2.1049 2.1049 2.4060 2.4060 2.5578 2.5578 3.2470 3.2470 3.5592 3.5592 4.1568 4.1568 4.2896 4.2896 4.9461 4.9461 5.1941 5.1941 5.3461 5.3461 5.5055 5.5055 5.8066 5.8066 6.1939 6.1939 6.3435 6.3435 6.3570 6.3570 6.7409 6.7409 6.8112 6.8112 9.6312 9.6312 12.4551 12.4551 12.9459 12.9459 15.1342 15.1342 16.1187 16.1187 16.9688 16.9688 k = 0.1136 0.1968-0.0000 ( 3720 PWs) bands (ev): -14.1769 -14.1769 -11.5497 -11.5497 -11.1819 -11.1819 -10.7540 -10.7540 -9.7185 -9.7185 -9.6373 -9.6373 -4.3368 -4.3368 -0.8804 -0.8804 0.3157 0.3157 0.5564 0.5564 0.6720 0.6720 1.5327 1.5327 2.1017 2.1017 2.3855 2.3855 2.5369 2.5369 3.2699 3.2699 3.5778 3.5778 4.1905 4.1905 4.3628 4.3628 4.9781 4.9781 5.2550 5.2550 5.3675 5.3675 5.4923 5.4923 5.8212 5.8212 6.1692 6.1692 6.3090 6.3090 6.3400 6.3400 6.7345 6.7345 6.8066 6.8066 9.5234 9.5234 12.4395 12.4395 12.9798 12.9798 15.0884 15.0884 16.1622 16.1622 17.0275 17.0275 k = 0.1061 0.1837-0.0000 ( 3716 PWs) bands (ev): -14.2007 -14.2007 -11.5000 -11.5000 -11.1739 -11.1739 -10.7672 -10.7672 -9.7071 -9.7071 -9.6374 -9.6374 -4.4023 -4.4023 -0.8758 -0.8758 0.3201 0.3201 0.5280 0.5280 0.6427 0.6427 1.5539 1.5539 2.0939 2.0939 2.3610 2.3610 2.5195 2.5195 3.2891 3.2891 3.6018 3.6018 4.2196 4.2196 4.4424 4.4424 5.0109 5.0109 5.3124 5.3124 5.3837 5.3837 5.4811 5.4811 5.8339 5.8339 6.1436 6.1436 6.2739 6.2739 6.3299 6.3299 6.7280 6.7280 6.8020 6.8020 9.4165 9.4165 12.4239 12.4239 13.0127 13.0127 15.0372 15.0372 16.2113 16.2113 17.0747 17.0747 k = 0.0985 0.1706-0.0000 ( 3712 PWs) bands (ev): -14.2230 -14.2230 -11.4522 -11.4522 -11.1662 -11.1662 -10.7798 -10.7798 -9.6965 -9.6965 -9.6374 -9.6374 -4.4648 -4.4648 -0.8722 -0.8722 0.3253 0.3253 0.5020 0.5020 0.6154 0.6154 1.5753 1.5753 2.0813 2.0813 2.3353 2.3353 2.5044 2.5044 3.3037 3.3037 3.6325 3.6325 4.2457 4.2457 4.5254 4.5254 5.0449 5.0449 5.3530 5.3530 5.4025 5.4025 5.4748 5.4748 5.8440 5.8440 6.1190 6.1190 6.2430 6.2430 6.3225 6.3225 6.7214 6.7214 6.7973 6.7973 9.3107 9.3107 12.4084 12.4084 13.0443 13.0443 14.9831 14.9831 16.2634 16.2634 17.1108 17.1108 k = 0.0909 0.1575-0.0000 ( 3706 PWs) bands (ev): -14.2437 -14.2437 -11.4066 -11.4066 -11.1589 -11.1589 -10.7917 -10.7917 -9.6869 -9.6869 -9.6371 -9.6371 -4.5240 -4.5240 -0.8694 -0.8694 0.3310 0.3310 0.4786 0.4786 0.5901 0.5901 1.5968 1.5968 2.0633 2.0633 2.3108 2.3108 2.4904 2.4904 3.3136 3.3136 3.6703 3.6703 4.2697 4.2697 4.6095 4.6095 5.0800 5.0800 5.3548 5.3548 5.4352 5.4352 5.4823 5.4823 5.8509 5.8509 6.0973 6.0973 6.2169 6.2169 6.3176 6.3176 6.7145 6.7145 6.7923 6.7923 9.2067 9.2067 12.3933 12.3933 13.0745 13.0745 14.9281 14.9281 16.3163 16.3163 17.1381 17.1381 k = 0.0833 0.1443-0.0000 ( 3708 PWs) bands (ev): -14.2628 -14.2628 -11.3634 -11.3634 -11.1520 -11.1520 -10.8030 -10.8030 -9.6782 -9.6782 -9.6368 -9.6368 -4.5797 -4.5797 -0.8675 -0.8675 0.3365 0.3365 0.4583 0.4583 0.5669 0.5669 1.6182 1.6182 2.0403 2.0403 2.2893 2.2893 2.4766 2.4766 3.3193 3.3193 3.7145 3.7145 4.2921 4.2921 4.6929 4.6929 5.1164 5.1164 5.3337 5.3337 5.4496 5.4496 5.5180 5.5180 5.8544 5.8544 6.0797 6.0797 6.1957 6.1957 6.3157 6.3157 6.7074 6.7074 6.7869 6.7869 9.1050 9.1050 12.3787 12.3787 13.1030 13.1030 14.8738 14.8738 16.3680 16.3680 17.1598 17.1598 k = 0.0758 0.1312-0.0000 ( 3722 PWs) bands (ev): -14.2804 -14.2804 -11.3230 -11.3230 -11.1454 -11.1454 -10.8135 -10.8135 -9.6704 -9.6704 -9.6363 -9.6363 -4.6316 -4.6316 -0.8661 -0.8661 0.3411 0.3411 0.4419 0.4419 0.5456 0.5456 1.6395 1.6395 2.0131 2.0131 2.2713 2.2713 2.4626 2.4626 3.3218 3.3218 3.7640 3.7640 4.3134 4.3134 4.7744 4.7744 5.1536 5.1536 5.3008 5.3008 5.4521 5.4521 5.5631 5.5631 5.8554 5.8554 6.0667 6.0667 6.1795 6.1795 6.3168 6.3168 6.6999 6.6999 6.7810 6.7810 9.0064 9.0064 12.3648 12.3648 13.1297 13.1297 14.8212 14.8212 16.4171 16.4171 17.1785 17.1785 k = 0.0682 0.1181-0.0000 ( 3728 PWs) bands (ev): -14.2963 -14.2963 -11.2855 -11.2855 -11.1392 -11.1392 -10.8233 -10.8233 -9.6635 -9.6635 -9.6357 -9.6357 -4.6795 -4.6795 -0.8652 -0.8652 0.3433 0.3433 0.4302 0.4302 0.5265 0.5265 1.6605 1.6605 1.9832 1.9832 2.2568 2.2568 2.4484 2.4484 3.3218 3.3218 3.8174 3.8174 4.3337 4.3337 4.8523 4.8523 5.1912 5.1912 5.2602 5.2602 5.4520 5.4520 5.6025 5.6025 5.8558 5.8558 6.0580 6.0580 6.1684 6.1684 6.3211 6.3211 6.6922 6.6922 6.7746 6.7746 8.9116 8.9116 12.3517 12.3517 13.1544 13.1544 14.7714 14.7714 16.4625 16.4625 17.1961 17.1961 k = 0.0606 0.1050-0.0000 ( 3728 PWs) bands (ev): -14.3106 -14.3106 -11.2512 -11.2512 -11.1333 -11.1333 -10.8323 -10.8323 -9.6576 -9.6576 -9.6350 -9.6350 -4.7231 -4.7231 -0.8648 -0.8648 0.3423 0.3423 0.4243 0.4243 0.5093 0.5093 1.6808 1.6808 1.9521 1.9521 2.2451 2.2451 2.4341 2.4341 3.3204 3.3204 3.8732 3.8732 4.3538 4.3538 4.9246 4.9246 5.2090 5.2090 5.2348 5.2348 5.4511 5.4511 5.6297 5.6297 5.8581 5.8581 6.0540 6.0540 6.1622 6.1622 6.3283 6.3283 6.6843 6.6843 6.7676 6.7676 8.8216 8.8216 12.3395 12.3395 13.1769 13.1769 14.7251 14.7251 16.5032 16.5032 17.2135 17.2135 k = 0.0530 0.0919-0.0000 ( 3736 PWs) bands (ev): -14.3233 -14.3233 -11.2205 -11.2205 -11.1278 -11.1278 -10.8404 -10.8404 -9.6526 -9.6526 -9.6342 -9.6342 -4.7621 -4.7621 -0.8646 -0.8646 0.3378 0.3378 0.4238 0.4238 0.4942 0.4942 1.7001 1.7001 1.9216 1.9216 2.2356 2.2356 2.4199 2.4199 3.3182 3.3182 3.9297 3.9297 4.3742 4.3742 4.9862 4.9862 5.1667 5.1667 5.2702 5.2702 5.4504 5.4504 5.6407 5.6407 5.8629 5.8629 6.0563 6.0563 6.1601 6.1601 6.3381 6.3381 6.6760 6.6760 6.7602 6.7602 8.7374 8.7374 12.3284 12.3284 13.1972 13.1972 14.6830 14.6830 16.5388 16.5388 17.2311 17.2311 k = 0.0455 0.0787-0.0000 ( 3740 PWs) bands (ev): -14.3343 -14.3343 -11.1936 -11.1936 -11.1227 -11.1227 -10.8475 -10.8475 -9.6485 -9.6485 -9.6332 -9.6332 -4.7965 -4.7965 -0.8647 -0.8647 0.3313 0.3313 0.4269 0.4269 0.4811 0.4811 1.7178 1.7178 1.8930 1.8930 2.2277 2.2277 2.4062 2.4062 3.3155 3.3155 3.9852 3.9852 4.3958 4.3958 5.0168 5.0168 5.1445 5.1445 5.3068 5.3068 5.4505 5.4505 5.6361 5.6361 5.8671 5.8671 6.0668 6.0668 6.1611 6.1611 6.3499 6.3499 6.6675 6.6675 6.7524 6.7524 8.6603 8.6603 12.3186 12.3186 13.2151 13.2151 14.6455 14.6455 16.5690 16.5690 17.2486 17.2486 k = 0.0379 0.0656-0.0000 ( 3740 PWs) bands (ev): -14.3436 -14.3436 -11.1709 -11.1709 -11.1177 -11.1177 -10.8537 -10.8537 -9.6454 -9.6454 -9.6322 -9.6322 -4.8259 -4.8259 -0.8648 -0.8648 0.3243 0.3243 0.4320 0.4320 0.4701 0.4701 1.7334 1.7334 1.8679 1.8679 2.2210 2.2210 2.3936 2.3936 3.3128 3.3128 4.0374 4.0374 4.4198 4.4198 4.9904 4.9904 5.1719 5.1719 5.3405 5.3405 5.4524 5.4524 5.6195 5.6195 5.8665 5.8665 6.0855 6.0855 6.1642 6.1642 6.3629 6.3629 6.6588 6.6588 6.7446 6.7446 8.5915 8.5915 12.3101 12.3101 13.2304 13.2304 14.6131 14.6131 16.5938 16.5938 17.2656 17.2656 k = 0.0303 0.0525-0.0000 ( 3734 PWs) bands (ev): -14.3512 -14.3512 -11.1529 -11.1529 -11.1128 -11.1128 -10.8589 -10.8589 -9.6431 -9.6431 -9.6310 -9.6310 -4.8502 -4.8502 -0.8651 -0.8651 0.3177 0.3177 0.4376 0.4376 0.4610 0.4610 1.7458 1.7458 1.8474 1.8474 2.2155 2.2155 2.3824 2.3824 3.3103 3.3103 4.0839 4.0839 4.4475 4.4475 4.9371 4.9371 5.2205 5.2205 5.3685 5.3685 5.4577 5.4577 5.5948 5.5948 5.8603 5.8603 6.1092 6.1092 6.1684 6.1684 6.3764 6.3764 6.6499 6.6499 6.7372 6.7372 8.5325 8.5325 12.3030 12.3030 13.2431 13.2431 14.5861 14.5861 16.6135 16.6135 17.2811 17.2811 k = 0.0227 0.0394-0.0000 ( 3740 PWs) bands (ev): -14.3572 -14.3572 -11.1398 -11.1398 -11.1078 -11.1078 -10.8630 -10.8630 -9.6415 -9.6415 -9.6300 -9.6300 -4.8692 -4.8692 -0.8653 -0.8653 0.3122 0.3122 0.4427 0.4427 0.4540 0.4540 1.7541 1.7541 1.8329 1.8329 2.2111 2.2111 2.3731 2.3731 3.3081 3.3081 4.1223 4.1223 4.4796 4.4796 4.8783 4.8783 5.2707 5.2707 5.3880 5.3880 5.4676 5.4676 5.5653 5.5653 5.8505 5.8505 6.1326 6.1326 6.1732 6.1732 6.3894 6.3894 6.6413 6.6413 6.7305 6.7305 8.4847 8.4847 12.2974 12.2974 13.2530 13.2530 14.5649 14.5649 16.6283 16.6283 17.2944 17.2944 k = 0.0152 0.0262-0.0000 ( 3748 PWs) bands (ev): -14.3614 -14.3614 -11.1315 -11.1315 -11.1031 -11.1031 -10.8660 -10.8660 -9.6405 -9.6405 -9.6291 -9.6291 -4.8829 -4.8829 -0.8655 -0.8655 0.3081 0.3081 0.4464 0.4464 0.4494 0.4494 1.7579 1.7579 1.8247 1.8247 2.2077 2.2077 2.3662 2.3662 3.3066 3.3066 4.1505 4.1505 4.5151 4.5151 4.8218 4.8218 5.3176 5.3176 5.3979 5.3979 5.4802 5.4802 5.5339 5.5339 5.8403 5.8403 6.1507 6.1507 6.1786 6.1786 6.4007 6.4007 6.6337 6.6337 6.7253 6.7253 8.4494 8.4494 12.2933 12.2933 13.2602 13.2602 14.5495 14.5495 16.6386 16.6386 17.3046 17.3046 k = 0.0076 0.0131-0.0000 ( 3752 PWs) bands (ev): -14.3640 -14.3640 -11.1271 -11.1271 -11.0995 -11.0995 -10.8677 -10.8677 -9.6400 -9.6400 -9.6286 -9.6286 -4.8912 -4.8912 -0.8657 -0.8657 0.3056 0.3056 0.4456 0.4456 0.4498 0.4498 1.7587 1.7587 1.8213 1.8213 2.2056 2.2056 2.3619 2.3619 3.3056 3.3056 4.1676 4.1676 4.5480 4.5480 4.7758 4.7758 5.3573 5.3573 5.3998 5.3998 5.4908 5.4908 5.5059 5.5059 5.8326 5.8326 6.1607 6.1607 6.1841 6.1841 6.4085 6.4085 6.6283 6.6283 6.7219 6.7219 8.4278 8.4278 12.2909 12.2909 13.2645 13.2645 14.5402 14.5402 16.6447 16.6447 17.3110 17.3110 k = 0.0000 0.0000 0.0000 ( 3759 PWs) bands (ev): -14.3648 -14.3648 -11.1258 -11.1258 -11.0982 -11.0982 -10.8683 -10.8683 -9.6398 -9.6398 -9.6284 -9.6284 -4.8939 -4.8939 -0.8657 -0.8657 0.3047 0.3047 0.4447 0.4447 0.4506 0.4506 1.7586 1.7586 1.8206 1.8206 2.2049 2.2049 2.3605 2.3605 3.3052 3.3052 4.1733 4.1733 4.5631 4.5631 4.7562 4.7562 5.3786 5.3786 5.3955 5.3955 5.4930 5.4930 5.4949 5.4949 5.8297 5.8297 6.1636 6.1636 6.1866 6.1866 6.4114 6.4114 6.6263 6.6263 6.7208 6.7208 8.4205 8.4205 12.2900 12.2900 13.2659 13.2659 14.5371 14.5371 16.6467 16.6467 17.3132 17.3132 k = 0.0000 0.0000 0.0000 ( 3759 PWs) bands (ev): -14.3648 -14.3648 -11.1258 -11.1258 -11.0982 -11.0982 -10.8683 -10.8683 -9.6398 -9.6398 -9.6284 -9.6284 -4.8939 -4.8939 -0.8657 -0.8657 0.3047 0.3047 0.4447 0.4447 0.4506 0.4506 1.7586 1.7586 1.8206 1.8206 2.2049 2.2049 2.3605 2.3605 3.3052 3.3052 4.1733 4.1733 4.5631 4.5631 4.7562 4.7562 5.3786 5.3786 5.3955 5.3955 5.4930 5.4930 5.4949 5.4949 5.8297 5.8297 6.1636 6.1636 6.1866 6.1866 6.4114 6.4114 6.6263 6.6263 6.7208 6.7208 8.4205 8.4205 12.2900 12.2900 13.2659 13.2659 14.5371 14.5371 16.6467 16.6467 17.3132 17.3132 k = 0.0000 0.0000 0.0152 ( 3753 PWs) bands (ev): -14.3647 -14.3647 -11.1257 -11.1257 -11.0981 -11.0981 -10.8688 -10.8688 -9.6400 -9.6400 -9.6285 -9.6285 -4.8939 -4.8939 -0.8638 -0.8638 0.3058 0.3058 0.4459 0.4459 0.4504 0.4504 1.7570 1.7570 1.8178 1.8178 2.2073 2.2073 2.3611 2.3611 3.3068 3.3068 4.1684 4.1684 4.5577 4.5577 4.7530 4.7530 5.3726 5.3726 5.4014 5.4014 5.4603 5.4603 5.5318 5.5318 5.8323 5.8323 6.1634 6.1634 6.1864 6.1864 6.4080 6.4080 6.6279 6.6279 6.7223 6.7223 8.4273 8.4273 12.2913 12.2913 13.2618 13.2618 14.5407 14.5407 16.6447 16.6447 17.3117 17.3117 k = 0.0000 0.0000 0.0304 ( 3753 PWs) bands (ev): -14.3642 -14.3642 -11.1254 -11.1254 -11.0978 -11.0978 -10.8700 -10.8700 -9.6404 -9.6404 -9.6291 -9.6291 -4.8936 -4.8936 -0.8583 -0.8583 0.3088 0.3088 0.4493 0.4493 0.4498 0.4498 1.7525 1.7525 1.8097 1.8097 2.2145 2.2145 2.3630 2.3630 3.3115 3.3115 4.1540 4.1540 4.5418 4.5418 4.7432 4.7432 5.3621 5.3621 5.4111 5.4111 5.4310 5.4310 5.5736 5.5736 5.8403 5.8403 6.1627 6.1627 6.1858 6.1858 6.3980 6.3980 6.6327 6.6327 6.7270 6.7270 8.4474 8.4474 12.2949 12.2949 13.2495 13.2495 14.5513 14.5513 16.6389 16.6389 17.3073 17.3073 k = 0.0000 0.0000 0.0456 ( 3741 PWs) bands (ev): -14.3635 -14.3635 -11.1248 -11.1248 -11.0972 -11.0972 -10.8721 -10.8721 -9.6412 -9.6412 -9.6299 -9.6299 -4.8932 -4.8932 -0.8490 -0.8490 0.3139 0.3139 0.4488 0.4488 0.4551 0.4551 1.7451 1.7451 1.7969 1.7969 2.2256 2.2256 2.3660 2.3660 3.3193 3.3193 4.1307 4.1307 4.5163 4.5163 4.7269 4.7269 5.3510 5.3510 5.4058 5.4058 5.4204 5.4204 5.6187 5.6187 5.8535 5.8535 6.1617 6.1617 6.1848 6.1848 6.3822 6.3822 6.6405 6.6405 6.7347 6.7347 8.4802 8.4802 12.3009 12.3009 13.2295 13.2295 14.5686 14.5686 16.6293 16.6293 17.3000 17.3000 k = 0.0000 0.0000 0.0608 ( 3729 PWs) bands (ev): -14.3624 -14.3624 -11.1241 -11.1241 -11.0964 -11.0964 -10.8750 -10.8750 -9.6423 -9.6423 -9.6311 -9.6311 -4.8926 -4.8926 -0.8361 -0.8361 0.3208 0.3208 0.4476 0.4476 0.4631 0.4631 1.7351 1.7351 1.7804 1.7804 2.2398 2.2398 2.3700 2.3700 3.3300 3.3300 4.0996 4.0996 4.4824 4.4824 4.7040 4.7040 5.3397 5.3397 5.3841 5.3841 5.4281 5.4281 5.6662 5.6662 5.8717 5.8717 6.1604 6.1604 6.1836 6.1836 6.3616 6.3616 6.6513 6.6513 6.7455 6.7455 8.5247 8.5247 12.3093 12.3093 13.2023 13.2023 14.5919 14.5919 16.6160 16.6160 17.2900 17.2900 k = 0.0000 0.0000 0.0760 ( 3723 PWs) bands (ev): -14.3611 -14.3611 -11.1232 -11.1232 -11.0954 -11.0954 -10.8787 -10.8787 -9.6437 -9.6437 -9.6326 -9.6326 -4.8919 -4.8919 -0.8196 -0.8196 0.3294 0.3294 0.4462 0.4462 0.4735 0.4735 1.7227 1.7227 1.7609 1.7609 2.2561 2.2561 2.3746 2.3746 3.3434 3.3434 4.0618 4.0618 4.4416 4.4416 4.6743 4.6743 5.3281 5.3281 5.3653 5.3653 5.4336 5.4336 5.7154 5.7154 5.8945 5.8945 6.1590 6.1590 6.1823 6.1823 6.3376 6.3376 6.6650 6.6650 6.7592 6.7592 8.5798 8.5798 12.3200 12.3200 13.1686 13.1686 14.6206 14.6206 16.5993 16.5993 17.2775 17.2775 k = 0.0000 0.0000 0.0912 ( 3723 PWs) bands (ev): -14.3595 -14.3595 -11.1220 -11.1220 -11.0942 -11.0942 -10.8831 -10.8831 -9.6454 -9.6454 -9.6345 -9.6345 -4.8910 -4.8910 -0.7995 -0.7995 0.3395 0.3395 0.4451 0.4451 0.4860 0.4860 1.7081 1.7081 1.7393 1.7393 2.2736 2.2736 2.3796 2.3796 3.3593 3.3593 4.0188 4.0188 4.3953 4.3953 4.6379 4.6379 5.3162 5.3162 5.3490 5.3490 5.4365 5.4365 5.7652 5.7652 5.9210 5.9210 6.1577 6.1577 6.1811 6.1811 6.3113 6.3113 6.6815 6.6815 6.7758 6.7758 8.6441 8.6441 12.3328 12.3328 13.1291 13.1291 14.6540 14.6540 16.5793 16.5793 17.2627 17.2627 k = 0.0000 0.0000 0.1064 ( 3723 PWs) bands (ev): -14.3576 -14.3576 -11.1207 -11.1207 -11.0928 -11.0928 -10.8882 -10.8882 -9.6474 -9.6474 -9.6366 -9.6366 -4.8900 -4.8900 -0.7761 -0.7761 0.3506 0.3506 0.4446 0.4446 0.5008 0.5008 1.6919 1.6919 1.7162 1.7162 2.2914 2.2914 2.3847 2.3847 3.3773 3.3773 3.9719 3.9719 4.3450 4.3450 4.5951 4.5951 5.3037 5.3037 5.3345 5.3345 5.4366 5.4366 5.8148 5.8148 5.9501 5.9501 6.1569 6.1569 6.1801 6.1801 6.2841 6.2841 6.7009 6.7009 6.7953 6.7953 8.7164 8.7164 12.3477 12.3477 13.0845 13.0845 14.6914 14.6914 16.5564 16.5564 17.2460 17.2460 k = 0.0000 0.0000 0.1216 ( 3699 PWs) bands (ev): -14.3555 -14.3555 -11.1192 -11.1192 -11.0912 -11.0912 -10.8939 -10.8939 -9.6496 -9.6496 -9.6390 -9.6390 -4.8888 -4.8888 -0.7493 -0.7493 0.3619 0.3619 0.4457 0.4457 0.5177 0.5177 1.6741 1.6741 1.6922 1.6922 2.3090 2.3090 2.3895 2.3895 3.3969 3.3969 3.9224 3.9224 4.2919 4.2919 4.5459 4.5459 5.2905 5.2905 5.3213 5.3213 5.4340 5.4340 5.8631 5.8631 5.9804 5.9804 6.1571 6.1571 6.1798 6.1798 6.2570 6.2570 6.7231 6.7232 6.8174 6.8174 8.7954 8.7954 12.3646 12.3646 13.0355 13.0355 14.7321 14.7321 16.5307 16.5307 17.2275 17.2275 k = 0.0000 0.0000 0.1368 ( 3699 PWs) bands (ev): -14.3531 -14.3531 -11.1176 -11.1176 -11.0894 -11.0894 -10.9003 -10.9003 -9.6520 -9.6520 -9.6417 -9.6417 -4.8876 -4.8876 -0.7194 -0.7194 0.3718 0.3718 0.4497 0.4497 0.5368 0.5368 1.6552 1.6552 1.6676 1.6676 2.3256 2.3256 2.3938 2.3938 3.4175 3.4175 3.8720 3.8720 4.2372 4.2372 4.4909 4.4909 5.2765 5.2765 5.3092 5.3092 5.4289 5.4289 5.9093 5.9093 6.0098 6.0098 6.1586 6.1586 6.1807 6.1807 6.2314 6.2314 6.7482 6.7482 6.8421 6.8421 8.8801 8.8801 12.3832 12.3832 12.9826 12.9826 14.7755 14.7755 16.5027 16.5027 17.2077 17.2077 k = 0.0000 0.0000 0.1520 ( 3699 PWs) bands (ev): -14.3506 -14.3506 -11.1158 -11.1158 -11.0875 -11.0875 -10.9072 -10.9072 -9.6547 -9.6547 -9.6446 -9.6446 -4.8862 -4.8862 -0.6865 -0.6865 0.3789 0.3789 0.4582 0.4582 0.5580 0.5580 1.6354 1.6354 1.6428 1.6428 2.3408 2.3408 2.3971 2.3971 3.4379 3.4379 3.8224 3.8224 4.1819 4.1819 4.4304 4.4304 5.2617 5.2617 5.2977 5.2977 5.4215 5.4215 5.9522 5.9522 6.0362 6.0362 6.1612 6.1612 6.1833 6.1833 6.2096 6.2096 6.7760 6.7760 6.8691 6.8691 8.9696 8.9696 12.4034 12.4034 12.9262 12.9262 14.8212 14.8212 16.4726 16.4726 17.1869 17.1869 k = 0.0000 0.0000 0.1672 ( 3693 PWs) bands (ev): -14.3479 -14.3479 -11.1139 -11.1139 -11.0854 -11.0854 -10.9145 -10.9145 -9.6575 -9.6575 -9.6477 -9.6477 -4.8847 -4.8847 -0.6507 -0.6507 0.3823 0.3823 0.4721 0.4721 0.5811 0.5811 1.6150 1.6150 1.6180 1.6180 2.3540 2.3540 2.3991 2.3991 3.4565 3.4565 3.7760 3.7760 4.1269 4.1269 4.3649 4.3649 5.2461 5.2461 5.2868 5.2868 5.4121 5.4121 5.9903 5.9903 6.0570 6.0570 6.1591 6.1591 6.1888 6.1888 6.1994 6.1994 6.8065 6.8065 6.8984 6.8984 9.0629 9.0629 12.4252 12.4252 12.8668 12.8668 14.8688 14.8688 16.4407 16.4407 17.1654 17.1654 k = 0.0000 0.0000 0.1824 ( 3693 PWs) bands (ev): -14.3450 -14.3450 -11.1119 -11.1119 -11.0833 -11.0833 -10.9223 -10.9223 -9.6605 -9.6605 -9.6509 -9.6509 -4.8832 -4.8832 -0.6123 -0.6123 0.3823 0.3823 0.4911 0.4911 0.6063 0.6063 1.5935 1.5935 1.5942 1.5942 2.3647 2.3647 2.3995 2.3995 3.4703 3.4703 3.7364 3.7364 4.0729 4.0729 4.2951 4.2951 5.2297 5.2297 5.2762 5.2762 5.4009 5.4009 6.0223 6.0223 6.0709 6.0709 6.1455 6.1455 6.1984 6.1984 6.2087 6.2087 6.8395 6.8395 6.9296 6.9296 9.1593 9.1593 12.4482 12.4482 12.8048 12.8048 14.9177 14.9177 16.4075 16.4075 17.1435 17.1435 k = 0.0000 0.0000 0.1976 ( 3693 PWs) bands (ev): -14.3420 -14.3420 -11.1098 -11.1098 -11.0810 -11.0810 -10.9303 -10.9303 -9.6636 -9.6636 -9.6543 -9.6543 -4.8816 -4.8816 -0.5714 -0.5714 0.3800 0.3800 0.5140 0.5140 0.6333 0.6333 1.5695 1.5695 1.5732 1.5732 2.3726 2.3726 2.3979 2.3979 3.4746 3.4746 3.7088 3.7088 4.0207 4.0207 4.2215 4.2215 5.2126 5.2126 5.2658 5.2658 5.3882 5.3882 6.0467 6.0467 6.0787 6.0787 6.1278 6.1278 6.2132 6.2132 6.2288 6.2288 6.8747 6.8747 6.9625 6.9625 9.2582 9.2582 12.4723 12.4723 12.7404 12.7404 14.9678 14.9678 16.3732 16.3732 17.1216 17.1216 k = 0.0000 0.0000 0.2128 ( 3699 PWs) bands (ev): -14.3389 -14.3389 -11.1076 -11.1076 -11.0786 -11.0786 -10.9386 -10.9386 -9.6669 -9.6669 -9.6579 -9.6579 -4.8799 -4.8799 -0.5283 -0.5283 0.3763 0.3763 0.5400 0.5400 0.6621 0.6621 1.5460 1.5460 1.5522 1.5522 2.3772 2.3772 2.3938 2.3938 3.4652 3.4652 3.6978 3.6978 3.9709 3.9709 4.1450 4.1450 5.1949 5.1949 5.2557 5.2557 5.3742 5.3742 6.0636 6.0636 6.0824 6.0824 6.1104 6.1104 6.2332 6.2332 6.2530 6.2530 6.9119 6.9119 6.9967 6.9967 9.3591 9.3591 12.4972 12.4972 12.6738 12.6738 15.0188 15.0188 16.3381 16.3381 17.0998 17.0998 k = 0.0000 0.0000 0.2280 ( 3693 PWs) bands (ev): -14.3357 -14.3357 -11.1054 -11.1054 -11.0762 -11.0762 -10.9471 -10.9471 -9.6702 -9.6702 -9.6615 -9.6615 -4.8782 -4.8782 -0.4833 -0.4833 0.3716 0.3716 0.5685 0.5685 0.6927 0.6927 1.5232 1.5232 1.5312 1.5312 2.3782 2.3782 2.3870 2.3870 3.4427 3.4427 3.7033 3.7033 3.9240 3.9240 4.0662 4.0662 5.1767 5.1767 5.2458 5.2458 5.3591 5.3591 6.0741 6.0741 6.0836 6.0836 6.0943 6.0943 6.2571 6.2571 6.2785 6.2785 6.9507 6.9507 7.0320 7.0320 9.4614 9.4614 12.5228 12.5228 12.6053 12.6053 15.0704 15.0704 16.3027 16.3027 17.0787 17.0787 k = 0.0000 0.0000 0.2432 ( 3693 PWs) bands (ev): -14.3325 -14.3325 -11.1031 -11.1031 -11.0738 -11.0738 -10.9556 -10.9556 -9.6735 -9.6735 -9.6651 -9.6651 -4.8765 -4.8765 -0.4367 -0.4367 0.3665 0.3665 0.5993 0.5993 0.7248 0.7248 1.5013 1.5013 1.5105 1.5105 2.3753 2.3753 2.3771 2.3771 3.4122 3.4122 3.7204 3.7204 3.8806 3.8806 3.9858 3.9858 5.1581 5.1581 5.2360 5.2360 5.3431 5.3431 6.0797 6.0797 6.0802 6.0802 6.0833 6.0833 6.2831 6.2831 6.3037 6.3037 6.9906 6.9906 7.0680 7.0680 9.5648 9.5648 12.5348 12.5348 12.5488 12.5488 15.1224 15.1224 16.2671 16.2671 17.0584 17.0584 k = 0.0000 0.0000 0.2584 ( 3693 PWs) bands (ev): -14.3293 -14.3293 -11.1009 -11.1009 -11.0713 -11.0713 -10.9642 -10.9642 -9.6769 -9.6769 -9.6688 -9.6688 -4.8748 -4.8748 -0.3888 -0.3888 0.3610 0.3610 0.6319 0.6319 0.7584 0.7584 1.4802 1.4802 1.4901 1.4901 2.3638 2.3638 2.3683 2.3683 3.3790 3.3790 3.7441 3.7441 3.8409 3.8409 3.9046 3.9046 5.1394 5.1394 5.2265 5.2265 5.3263 5.3263 6.0667 6.0667 6.0822 6.0822 6.0833 6.0833 6.3095 6.3095 6.3278 6.3278 7.0311 7.0311 7.1041 7.1041 9.6689 9.6689 12.4629 12.4629 12.5749 12.5749 15.1746 15.1746 16.2317 16.2317 17.0391 17.0391 k = 0.0000 0.0000 0.2736 ( 3704 PWs) bands (ev): -14.3261 -14.3261 -11.0986 -11.0986 -11.0689 -11.0689 -10.9726 -10.9726 -9.6802 -9.6802 -9.6724 -9.6724 -4.8731 -4.8731 -0.3400 -0.3400 0.3553 0.3553 0.6661 0.6661 0.7933 0.7933 1.4601 1.4601 1.4702 1.4702 2.3469 2.3469 2.3571 2.3571 3.3462 3.3462 3.7706 3.7706 3.8052 3.8052 3.8244 3.8244 5.1207 5.1207 5.2171 5.2171 5.3090 5.3090 6.0552 6.0552 6.0807 6.0807 6.0847 6.0847 6.3354 6.3354 6.3504 6.3504 7.0717 7.0717 7.1401 7.1401 9.7734 9.7734 12.3893 12.3893 12.6008 12.6008 15.2267 15.2267 16.1967 16.1967 17.0211 17.0211 k = 0.0000 0.0000 0.2888 ( 3716 PWs) bands (ev): -14.3229 -14.3229 -11.0964 -11.0964 -11.0665 -11.0665 -10.9809 -10.9809 -9.6835 -9.6835 -9.6760 -9.6760 -4.8714 -4.8714 -0.2907 -0.2907 0.3496 0.3496 0.7019 0.7019 0.8293 0.8293 1.4410 1.4410 1.4506 1.4506 2.3265 2.3265 2.3418 2.3418 3.3157 3.3157 3.7400 3.7400 3.7737 3.7737 3.8037 3.8037 5.1021 5.1021 5.2081 5.2081 5.2914 5.2914 6.0449 6.0449 6.0789 6.0789 6.0849 6.0849 6.3602 6.3602 6.3715 6.3715 7.1119 7.1119 7.1755 7.1755 9.8780 9.8780 12.3141 12.3141 12.6264 12.6264 15.2786 15.2786 16.1624 16.1624 17.0045 17.0045 k = 0.0000 0.0000 0.3040 ( 3728 PWs) bands (ev): -14.3198 -14.3198 -11.0942 -11.0942 -11.0641 -11.0641 -10.9890 -10.9890 -9.6867 -9.6867 -9.6795 -9.6795 -4.8698 -4.8698 -0.2413 -0.2413 0.3440 0.3440 0.7389 0.7389 0.8663 0.8663 1.4229 1.4229 1.4316 1.4316 2.3027 2.3027 2.3227 2.3227 3.2884 3.2884 3.6613 3.6613 3.7463 3.7463 3.8332 3.8332 5.0838 5.0838 5.1993 5.1993 5.2736 5.2736 6.0360 6.0360 6.0770 6.0770 6.0845 6.0845 6.3834 6.3834 6.3908 6.3908 7.1512 7.1512 7.2100 7.2100 9.9825 9.9825 12.2376 12.2376 12.6513 12.6513 15.3300 15.3300 16.1291 16.1291 16.9896 16.9896 k = 0.0000 0.0000 0.3192 ( 3728 PWs) bands (ev): -14.3169 -14.3169 -11.0921 -11.0921 -11.0619 -11.0619 -10.9967 -10.9967 -9.6898 -9.6898 -9.6828 -9.6828 -4.8682 -4.8682 -0.1924 -0.1924 0.3385 0.3385 0.7770 0.7770 0.9040 0.9040 1.4060 1.4060 1.4129 1.4129 2.2758 2.2758 2.3001 2.3001 3.2647 3.2647 3.5840 3.5840 3.7230 3.7230 3.8635 3.8635 5.0660 5.0660 5.1910 5.1910 5.2558 5.2558 6.0281 6.0281 6.0751 6.0751 6.0836 6.0836 6.4050 6.4050 6.4084 6.4084 7.1892 7.1892 7.2431 7.2431 10.0866 10.0866 12.1598 12.1598 12.6754 12.6754 15.3808 15.3808 16.0969 16.0969 16.9765 16.9765 k = 0.0000 0.0000 0.3344 ( 3728 PWs) bands (ev): -14.3140 -14.3140 -11.0901 -11.0901 -11.0597 -11.0597 -11.0040 -11.0040 -9.6927 -9.6927 -9.6860 -9.6860 -4.8667 -4.8667 -0.1445 -0.1445 0.3333 0.3333 0.8160 0.8160 0.9422 0.9422 1.3901 1.3901 1.3947 1.3947 2.2464 2.2464 2.2744 2.2744 3.2446 3.2446 3.5094 3.5094 3.7034 3.7034 3.8934 3.8934 5.0489 5.0489 5.1831 5.1831 5.2384 5.2384 6.0212 6.0212 6.0733 6.0733 6.0826 6.0826 6.4244 6.4244 6.4248 6.4248 7.2253 7.2253 7.2745 7.2745 10.1902 10.1902 12.0806 12.0806 12.6984 12.6984 15.4306 15.4306 16.0660 16.0660 16.9652 16.9652 k = 0.0000 0.0000 0.3496 ( 3710 PWs) bands (ev): -14.3114 -14.3114 -11.0882 -11.0882 -11.0577 -11.0577 -11.0109 -11.0109 -9.6954 -9.6954 -9.6890 -9.6890 -4.8653 -4.8653 -0.0982 -0.0982 0.3284 0.3284 0.8555 0.8555 0.9804 0.9804 1.3753 1.3753 1.3767 1.3767 2.2151 2.2151 2.2464 2.2464 3.2281 3.2281 3.4383 3.4383 3.6872 3.6872 3.9222 3.9222 5.0326 5.0326 5.1757 5.1757 5.2215 5.2215 6.0152 6.0152 6.0716 6.0716 6.0815 6.0815 6.4387 6.4387 6.4427 6.4427 7.2593 7.2593 7.3040 7.3040 10.2930 10.2930 12.0003 12.0003 12.7201 12.7201 15.4793 15.4793 16.0366 16.0366 16.9559 16.9559 k = 0.0000 0.0000 0.3648 ( 3710 PWs) bands (ev): -14.3089 -14.3089 -11.0865 -11.0865 -11.0558 -11.0558 -11.0172 -11.0172 -9.6980 -9.6980 -9.6918 -9.6918 -4.8640 -4.8640 -0.0541 -0.0541 0.3239 0.3239 0.8954 0.8954 1.0184 1.0184 1.3589 1.3589 1.3615 1.3615 2.1829 2.1829 2.2168 2.2168 3.2148 3.2148 3.3717 3.3717 3.6742 3.6742 3.9496 3.9496 5.0173 5.0173 5.1689 5.1689 5.2053 5.2053 6.0101 6.0101 6.0700 6.0700 6.0803 6.0803 6.4514 6.4514 6.4588 6.4588 7.2907 7.2907 7.3311 7.3311 10.3949 10.3949 11.9187 11.9187 12.7401 12.7401 15.5264 15.5264 16.0086 16.0086 16.9484 16.9488 k = 0.0000 0.0000 0.3800 ( 3710 PWs) bands (ev): -14.3067 -14.3067 -11.0849 -11.0849 -11.0541 -11.0541 -11.0229 -11.0229 -9.7003 -9.7003 -9.6943 -9.6943 -4.8628 -4.8628 -0.0128 -0.0128 0.3197 0.3197 0.9353 0.9353 1.0556 1.0556 1.3410 1.3410 1.3486 1.3486 2.1506 2.1506 2.1865 2.1865 3.2042 3.2042 3.3103 3.3103 3.6639 3.6639 3.9751 3.9751 5.0033 5.0033 5.1627 5.1627 5.1901 5.1901 6.0057 6.0057 6.0686 6.0686 6.0792 6.0792 6.4625 6.4625 6.4730 6.4730 7.3191 7.3191 7.3556 7.3556 10.4957 10.4957 11.8362 11.8362 12.7583 12.7583 15.5718 15.5718 15.9822 15.9822 16.9427 16.9427 k = 0.0000 0.0000 0.3952 ( 3704 PWs) bands (ev): -14.3047 -14.3047 -11.0835 -11.0835 -11.0526 -11.0526 -11.0280 -11.0280 -9.7023 -9.7023 -9.6965 -9.6965 -4.8618 -4.8618 0.0248 0.0248 0.3160 0.3160 0.9749 0.9749 1.0916 1.0916 1.3228 1.3228 1.3366 1.3366 2.1194 2.1194 2.1566 2.1566 3.1960 3.1960 3.2551 3.2551 3.6559 3.6559 3.9982 3.9982 4.9906 4.9906 5.1572 5.1572 5.1763 5.1763 6.0020 6.0020 6.0674 6.0674 6.0782 6.0782 6.4721 6.4721 6.4853 6.4853 7.3444 7.3444 7.3774 7.3774 10.5950 10.5950 11.7529 11.7529 12.7746 12.7746 15.6150 15.6150 15.9572 15.9572 16.9388 16.9395 k = 0.0000 0.0000 0.4104 ( 3692 PWs) bands (ev): -14.3030 -14.3030 -11.0823 -11.0823 -11.0512 -11.0512 -11.0324 -11.0324 -9.7041 -9.7041 -9.6985 -9.6985 -4.8609 -4.8609 0.0582 0.0582 0.3128 0.3128 1.0138 1.0138 1.1258 1.1258 1.3039 1.3039 1.3252 1.3252 2.0903 2.0903 2.1282 2.1282 3.1890 3.1890 3.2075 3.2075 3.6498 3.6498 4.0187 4.0187 4.9795 4.9795 5.1524 5.1524 5.1640 5.1640 5.9990 5.9990 6.0663 6.0663 6.0773 6.0773 6.4802 6.4802 6.4957 6.4957 7.3662 7.3662 7.3961 7.3961 10.6926 10.6926 11.6690 11.6690 12.7886 12.7886 15.6556 15.6556 15.9335 15.9335 16.9367 16.9391 k = 0.0000 0.0000 0.4256 ( 3692 PWs) bands (ev): -14.3016 -14.3016 -11.0813 -11.0813 -11.0501 -11.0501 -11.0361 -11.0361 -9.7055 -9.7055 -9.7001 -9.7001 -4.8602 -4.8602 0.0867 0.0867 0.3102 0.3102 1.0516 1.0516 1.1575 1.1575 1.2841 1.2841 1.3142 1.3142 2.0645 2.0645 2.1024 2.1024 3.1641 3.1641 3.1869 3.1869 3.6453 3.6453 4.0360 4.0360 4.9701 4.9701 5.1485 5.1485 5.1535 5.1535 5.9965 5.9965 6.0654 6.0654 6.0765 6.0765 6.4868 6.4868 6.5042 6.5042 7.3843 7.3843 7.4117 7.4117 10.7877 10.7877 11.5852 11.5852 12.8003 12.8003 15.6935 15.6935 15.9107 15.9107 16.9350 16.9496 k = 0.0000 0.0000 0.4408 ( 3680 PWs) bands (ev): -14.3004 -14.3004 -11.0805 -11.0805 -11.0493 -11.0493 -11.0389 -11.0389 -9.7067 -9.7067 -9.7014 -9.7014 -4.8596 -4.8596 0.1095 0.1095 0.3081 0.3081 1.0878 1.0878 1.1860 1.1860 1.2630 1.2630 1.3032 1.3032 2.0429 2.0429 2.0806 2.0806 3.1320 3.1320 3.1832 3.1832 3.6421 3.6421 4.0499 4.0499 4.9626 4.9626 5.1451 5.1451 5.1453 5.1453 5.9947 5.9947 6.0647 6.0647 6.0759 6.0759 6.4920 6.4920 6.5108 6.5108 7.3986 7.3986 7.4240 7.4240 10.8791 10.8791 11.5026 11.5026 12.8096 12.8096 15.7284 15.7284 15.8886 15.8886 16.9279 16.9289 k = 0.0000 0.0000 0.4560 ( 3680 PWs) bands (ev): -14.2996 -14.2996 -11.0799 -11.0799 -11.0486 -11.0486 -11.0410 -11.0410 -9.7075 -9.7075 -9.7023 -9.7023 -4.8591 -4.8591 0.1263 0.1263 0.3066 0.3066 1.1218 1.1218 1.2106 1.2106 1.2403 1.2403 1.2922 1.2922 2.0267 2.0267 2.0639 2.0639 3.1083 3.1083 3.1810 3.1810 3.6400 3.6400 4.0601 4.0601 4.9572 4.9572 5.1389 5.1389 5.1431 5.1431 5.9934 5.9934 6.0642 6.0642 6.0754 6.0754 6.4956 6.4956 6.5155 6.5155 7.4089 7.4089 7.4328 7.4328 10.9638 10.9638 11.4242 11.4242 12.8163 12.8163 15.7600 15.7600 15.8666 15.8666 16.9085 16.9085 k = 0.0000 0.0000 0.4712 ( 3680 PWs) bands (ev): -14.2991 -14.2991 -11.0795 -11.0795 -11.0483 -11.0483 -11.0423 -11.0423 -9.7080 -9.7080 -9.7028 -9.7028 -4.8589 -4.8589 0.1365 0.1365 0.3057 0.3057 1.1529 1.1529 1.2165 1.2165 1.2298 1.2298 1.2816 1.2816 2.0167 2.0167 2.0534 2.0534 3.0939 3.0939 3.1798 3.1798 3.6388 3.6388 4.0663 4.0663 4.9538 4.9538 5.1351 5.1351 5.1417 5.1417 5.9926 5.9926 6.0639 6.0639 6.0752 6.0752 6.4978 6.4978 6.5184 6.5184 7.4152 7.4152 7.4381 7.4381 11.0332 11.0332 11.3585 11.3585 12.8204 12.8204 15.7877 15.7877 15.8449 15.8449 16.8967 16.8967 k = 0.0000 0.0000 0.4865 ( 3680 PWs) bands (ev): -14.2990 -14.2990 -11.0794 -11.0794 -11.0481 -11.0481 -11.0427 -11.0427 -9.7082 -9.7082 -9.7030 -9.7030 -4.8588 -4.8588 0.1399 0.1399 0.3054 0.3054 1.1725 1.1725 1.1992 1.1992 1.2383 1.2383 1.2760 1.2760 2.0132 2.0132 2.0498 2.0498 3.0891 3.0891 3.1794 3.1794 3.6384 3.6384 4.0684 4.0684 4.9527 4.9527 5.1339 5.1339 5.1412 5.1412 5.9923 5.9923 6.0638 6.0638 6.0751 6.0751 6.4985 6.4985 6.5193 6.5193 7.4172 7.4172 7.4399 7.4399 11.0638 11.0638 11.3292 11.3292 12.8217 12.8217 15.8047 15.8047 15.8300 15.8300 16.8927 16.8927 k = 0.0000 0.0000 0.4865 ( 3680 PWs) bands (ev): -14.2990 -14.2990 -11.0794 -11.0794 -11.0481 -11.0481 -11.0427 -11.0427 -9.7082 -9.7082 -9.7030 -9.7030 -4.8588 -4.8588 0.1399 0.1399 0.3054 0.3054 1.1725 1.1725 1.1992 1.1992 1.2383 1.2383 1.2760 1.2760 2.0132 2.0132 2.0498 2.0498 3.0891 3.0891 3.1794 3.1794 3.6384 3.6384 4.0684 4.0684 4.9527 4.9527 5.1339 5.1339 5.1412 5.1412 5.9923 5.9923 6.0638 6.0638 6.0751 6.0751 6.4985 6.4985 6.5193 6.5193 7.4172 7.4172 7.4399 7.4399 11.0638 11.0638 11.3292 11.3292 12.8217 12.8217 15.8047 15.8047 15.8300 15.8300 16.8927 16.8927 k = 0.0132 0.0076 0.4865 ( 3684 PWs) bands (ev): -14.2981 -14.2981 -11.0809 -11.0809 -11.0501 -11.0501 -11.0413 -11.0413 -9.7083 -9.7083 -9.7031 -9.7031 -4.8560 -4.8560 0.1374 0.1374 0.3035 0.3035 1.1695 1.1695 1.1974 1.1974 1.2427 1.2427 1.2790 1.2790 2.0148 2.0148 2.0517 2.0517 3.0918 3.0918 3.1802 3.1802 3.6378 3.6378 4.0676 4.0676 4.9541 4.9541 5.1313 5.1313 5.1398 5.1398 5.9926 5.9926 6.0611 6.0611 6.0724 6.0724 6.4997 6.4997 6.5204 6.5204 7.4157 7.4157 7.4383 7.4383 11.0672 11.0672 11.3299 11.3299 12.8211 12.8211 15.7800 15.7800 15.8530 15.8530 16.8877 16.8877 k = 0.0263 0.0152 0.4865 ( 3684 PWs) bands (ev): -14.2956 -14.2956 -11.0856 -11.0856 -11.0548 -11.0548 -11.0382 -11.0382 -9.7086 -9.7086 -9.7032 -9.7032 -4.8477 -4.8477 0.1298 0.1298 0.2980 0.2980 1.1614 1.1614 1.1919 1.1919 1.2548 1.2548 1.2882 1.2882 2.0192 2.0192 2.0578 2.0578 3.0998 3.0998 3.1825 3.1825 3.6360 3.6360 4.0654 4.0654 4.9583 4.9583 5.1203 5.1203 5.1387 5.1387 5.9930 5.9930 6.0519 6.0519 6.0661 6.0661 6.5027 6.5027 6.5239 6.5239 7.4106 7.4106 7.4341 7.4341 11.0773 11.0773 11.3320 11.3320 12.8193 12.8193 15.7446 15.7446 15.8834 15.8834 16.8731 16.8731 k = 0.0395 0.0228 0.4865 ( 3688 PWs) bands (ev): -14.2915 -14.2915 -11.0940 -11.0940 -11.0609 -11.0609 -11.0341 -11.0341 -9.7095 -9.7095 -9.7032 -9.7032 -4.8339 -4.8339 0.1174 0.1174 0.2893 0.2893 1.1494 1.1494 1.1834 1.1834 1.2724 1.2724 1.3039 1.3039 2.0257 2.0257 2.0682 2.0682 3.1128 3.1128 3.1867 3.1867 3.6329 3.6329 4.0617 4.0617 4.9649 4.9649 5.1005 5.1005 5.1388 5.1388 5.9922 5.9922 6.0351 6.0351 6.0594 6.0594 6.5065 6.5065 6.5304 6.5304 7.4010 7.4010 7.4284 7.4284 11.0940 11.0940 11.3354 11.3354 12.8163 12.8163 15.7072 15.7072 15.9124 15.9124 16.8514 16.8514 k = 0.0526 0.0304 0.4865 ( 3688 PWs) bands (ev): -14.2857 -14.2857 -11.1071 -11.1071 -11.0674 -11.0674 -11.0289 -11.0289 -9.7112 -9.7112 -9.7028 -9.7028 -4.8146 -4.8146 0.1002 0.1002 0.2780 0.2780 1.1337 1.1337 1.1733 1.1733 1.2921 1.2921 1.3275 1.3275 2.0334 2.0334 2.0834 2.0834 3.1296 3.1296 3.1936 3.1936 3.6287 3.6287 4.0567 4.0567 4.9736 4.9736 5.0732 5.0732 5.1399 5.1399 5.9858 5.9858 6.0139 6.0139 6.0541 6.0541 6.5096 6.5096 6.5398 6.5398 7.3864 7.3864 7.4221 7.4221 11.1168 11.1168 11.3400 11.3400 12.8121 12.8121 15.6689 15.6689 15.9395 15.9395 16.8264 16.8264 k = 0.0658 0.0380 0.4865 ( 3688 PWs) bands (ev): -14.2782 -14.2782 -11.1252 -11.1252 -11.0737 -11.0737 -11.0228 -11.0228 -9.7136 -9.7136 -9.7021 -9.7021 -4.7901 -4.7901 0.0786 0.0786 0.2648 0.2648 1.1140 1.1140 1.1631 1.1631 1.3122 1.3122 1.3596 1.3596 2.0416 2.0416 2.1035 2.1035 3.1481 3.1481 3.2050 3.2050 3.6234 3.6234 4.0503 4.0503 4.9835 4.9835 5.0392 5.0392 5.1420 5.1420 5.9638 5.9638 5.9973 5.9973 6.0521 6.0521 6.5117 6.5117 6.5517 6.5517 7.3670 7.3670 7.4153 7.4153 11.1452 11.1452 11.3456 11.3456 12.8067 12.8067 15.6299 15.6299 15.9644 15.9644 16.8010 16.8010 k = 0.0789 0.0456 0.4865 ( 3694 PWs) bands (ev): -14.2692 -14.2692 -11.1482 -11.1482 -11.0797 -11.0797 -11.0158 -11.0158 -9.7168 -9.7168 -9.7010 -9.7010 -4.7605 -4.7605 0.0530 0.0530 0.2504 0.2504 1.0904 1.0904 1.1535 1.1535 1.3325 1.3325 1.3988 1.3988 2.0499 2.0499 2.1279 2.1279 3.1650 3.1650 3.2240 3.2240 3.6172 3.6172 4.0426 4.0426 4.9935 4.9935 4.9995 4.9995 5.1460 5.1460 5.9279 5.9279 5.9839 5.9839 6.0544 6.0544 6.5124 6.5124 6.5650 6.5650 7.3437 7.3437 7.4078 7.4078 11.1788 11.1788 11.3520 11.3520 12.8001 12.8001 15.5907 15.5907 15.9868 15.9868 16.7771 16.7771 k = 0.0921 0.0532 0.4865 ( 3698 PWs) bands (ev): -14.2584 -14.2584 -11.1755 -11.1755 -11.0857 -11.0857 -11.0078 -11.0078 -9.7207 -9.7207 -9.6999 -9.6999 -4.7259 -4.7259 0.0236 0.0236 0.2356 0.2356 1.0637 1.0637 1.1450 1.1450 1.3535 1.3535 1.4437 1.4437 2.0582 2.0582 2.1561 2.1561 3.1781 3.1781 3.2523 3.2523 3.6101 3.6101 4.0337 4.0337 4.9544 4.9544 5.0028 5.0028 5.1524 5.1524 5.8846 5.8846 5.9684 5.9684 6.0602 6.0602 6.5115 6.5115 6.5789 6.5789 7.3172 7.3172 7.3994 7.3994 11.2168 11.2168 11.3591 11.3591 12.7922 12.7922 15.5517 15.5517 16.0066 16.0066 16.7559 16.7559 k = 0.1053 0.0608 0.4865 ( 3698 PWs) bands (ev): -14.2461 -14.2461 -11.2069 -11.2069 -11.0918 -11.0918 -10.9989 -10.9989 -9.7253 -9.7253 -9.6985 -9.6985 -4.6865 -4.6865 -0.0091 -0.0091 0.2210 0.2210 1.0344 1.0344 1.1374 1.1374 1.3756 1.3756 1.4929 1.4929 2.0663 2.0663 2.1877 2.1877 3.1883 3.1883 3.2882 3.2882 3.6024 3.6024 4.0237 4.0237 4.9055 4.9055 5.0096 5.0096 5.1623 5.1623 5.8363 5.8363 5.9508 5.9508 6.0684 6.0684 6.5090 6.5090 6.5928 6.5928 7.2882 7.2882 7.3900 7.3900 11.2587 11.2587 11.3666 11.3666 12.7833 12.7833 15.5134 15.5134 16.0238 16.0238 16.7386 16.7386 k = 0.1184 0.0684 0.4865 ( 3694 PWs) bands (ev): -14.2322 -14.2322 -11.2419 -11.2419 -11.0982 -11.0982 -10.9890 -10.9890 -9.7307 -9.7307 -9.6972 -9.6972 -4.6426 -4.6426 -0.0449 -0.0449 0.2069 0.2069 1.0034 1.0034 1.1310 1.1310 1.3985 1.3985 1.5454 1.5454 2.0742 2.0742 2.2221 2.2221 3.1971 3.1971 3.3297 3.3297 3.5944 3.5944 4.0125 4.0125 4.8535 4.8535 5.0128 5.0128 5.1760 5.1760 5.7843 5.7843 5.9316 5.9316 6.0782 6.0782 6.5046 6.5046 6.6061 6.6061 7.2572 7.2572 7.3796 7.3796 11.3035 11.3035 11.3743 11.3743 12.7731 12.7731 15.4761 15.4761 16.0383 16.0383 16.7256 16.7256 k = 0.1316 0.0760 0.4865 ( 3696 PWs) bands (ev): -14.2167 -14.2167 -11.2803 -11.2803 -11.1048 -11.1048 -10.9782 -10.9782 -9.7367 -9.7367 -9.6958 -9.6958 -4.5945 -4.5945 -0.0833 -0.0833 0.1940 0.1940 0.9713 0.9713 1.1256 1.1256 1.4223 1.4223 1.6004 1.6004 2.0821 2.0821 2.2587 2.2587 3.2049 3.2049 3.3752 3.3752 3.5864 3.5864 4.0003 4.0003 4.7996 4.7996 5.0117 5.0117 5.1932 5.1932 5.7299 5.7299 5.9110 5.9110 6.0889 6.0889 6.4981 6.4981 6.6183 6.6183 7.2250 7.2250 7.3681 7.3681 11.3500 11.3500 11.3827 11.3827 12.7618 12.7618 15.4402 15.4402 16.0503 16.0503 16.7173 16.7173 k = 0.1447 0.0836 0.4865 ( 3702 PWs) bands (ev): -14.1996 -14.1996 -11.3218 -11.3218 -11.1117 -11.1117 -10.9665 -10.9665 -9.7436 -9.7436 -9.6944 -9.6944 -4.5423 -4.5423 -0.1242 -0.1242 0.1824 0.1824 0.9386 0.9386 1.1214 1.1214 1.4469 1.4469 1.6569 1.6569 2.0899 2.0899 2.2972 2.2972 3.2119 3.2119 3.4236 3.4236 3.5791 3.5791 3.9872 3.9872 4.7447 4.7447 5.0062 5.0062 5.2129 5.2129 5.6745 5.6745 5.8894 5.8894 6.1004 6.1004 6.4893 6.4893 6.6292 6.6292 7.1921 7.1921 7.3557 7.3557 11.3838 11.3838 11.4051 11.4051 12.7493 12.7493 15.4060 15.4060 16.0599 16.0599 16.7136 16.7136 k = 0.1579 0.0912 0.4865 ( 3698 PWs) bands (ev): -14.1809 -14.1809 -11.3660 -11.3660 -11.1188 -11.1188 -10.9538 -10.9538 -9.7512 -9.7512 -9.6931 -9.6931 -4.4864 -4.4864 -0.1671 -0.1671 0.1725 0.1725 0.9058 0.9058 1.1183 1.1183 1.4722 1.4722 1.7141 1.7141 2.0981 2.0981 2.3370 2.3370 3.2177 3.2177 3.4730 3.4730 3.5735 3.5735 3.9736 3.9736 4.6898 4.6898 4.9961 4.9961 5.2334 5.2334 5.6203 5.6203 5.8669 5.8669 6.1125 6.1125 6.4783 6.4783 6.6384 6.6384 7.1589 7.1589 7.3423 7.3423 11.3923 11.3923 11.4532 11.4532 12.7357 12.7357 15.3739 15.3739 16.0676 16.0676 16.7142 16.7142 k = 0.1711 0.0988 0.4865 ( 3706 PWs) bands (ev): -14.1608 -14.1608 -11.4128 -11.4128 -11.1262 -11.1262 -10.9402 -10.9402 -9.7595 -9.7595 -9.6918 -9.6918 -4.4271 -4.4271 -0.2118 -0.2118 0.1644 0.1644 0.8734 0.8734 1.1165 1.1165 1.4979 1.4979 1.7707 1.7707 2.1071 2.1071 2.3778 2.3778 3.2217 3.2217 3.5198 3.5198 3.5730 3.5730 3.9599 3.9599 4.6361 4.6361 4.9808 4.9808 5.2522 5.2522 5.5705 5.5705 5.8434 5.8434 6.1249 6.1249 6.4648 6.4648 6.6459 6.6459 7.1259 7.1259 7.3281 7.3281 11.3978 11.3978 11.5040 11.5040 12.7210 12.7210 15.3442 15.3442 16.0741 16.0741 16.7183 16.7183 k = 0.1842 0.1064 0.4865 ( 3710 PWs) bands (ev): -14.1392 -14.1392 -11.4618 -11.4618 -11.1338 -11.1338 -10.9258 -10.9258 -9.7687 -9.7687 -9.6906 -9.6906 -4.3646 -4.3646 -0.2581 -0.2581 0.1582 0.1582 0.8418 0.8418 1.1160 1.1160 1.5240 1.5240 1.8253 1.8253 2.1178 2.1178 2.4190 2.4190 3.2231 3.2231 3.5481 3.5481 3.5922 3.5922 3.9476 3.9476 4.5846 4.5846 4.9598 4.9598 5.2652 5.2652 5.5298 5.5298 5.8192 5.8192 6.1377 6.1377 6.4489 6.4489 6.6515 6.6515 7.0934 7.0934 7.3129 7.3129 11.4017 11.4017 11.5550 11.5550 12.7053 12.7053 15.3170 15.3170 16.0801 16.0801 16.7248 16.7248 k = 0.1974 0.1140 0.4865 ( 3718 PWs) bands (ev): -14.1161 -14.1161 -11.5128 -11.5128 -11.1415 -11.1415 -10.9105 -10.9105 -9.7787 -9.7787 -9.6896 -9.6896 -4.2993 -4.2993 -0.3058 -0.3058 0.1540 0.1540 0.8114 0.8114 1.1168 1.1168 1.5503 1.5503 1.8760 1.8760 2.1316 2.1316 2.4603 2.4603 3.2212 3.2212 3.5557 3.5557 3.6315 3.6315 3.9391 3.9391 4.5362 4.5362 4.9320 4.9320 5.2679 5.2679 5.5043 5.5043 5.7941 5.7941 6.1507 6.1507 6.4306 6.4306 6.6550 6.6550 7.0620 7.0620 7.2970 7.2970 11.4042 11.4042 11.6056 11.6056 12.6886 12.6886 15.2925 15.2925 16.0862 16.0862 16.7322 16.7322 k = 0.2105 0.1215 0.4865 ( 3722 PWs) bands (ev): -14.0916 -14.0916 -11.5655 -11.5655 -11.1494 -11.1494 -10.8944 -10.8944 -9.7895 -9.7895 -9.6886 -9.6886 -4.2314 -4.2314 -0.3547 -0.3547 0.1517 0.1517 0.7827 0.7827 1.1190 1.1190 1.5768 1.5768 1.9203 1.9203 2.1504 2.1504 2.5011 2.5011 3.2152 3.2152 3.5623 3.5623 3.6673 3.6673 3.9388 3.9388 4.4918 4.4918 4.8962 4.8962 5.2576 5.2576 5.4975 5.4975 5.7682 5.7682 6.1638 6.1638 6.4101 6.4101 6.6566 6.6566 7.0316 7.0316 7.2805 7.2805 11.4051 11.4051 11.6554 11.6554 12.6710 12.6710 15.2708 15.2708 16.0932 16.0932 16.7390 16.7390 k = 0.2237 0.1291 0.4865 ( 3716 PWs) bands (ev): -14.0657 -14.0657 -11.6197 -11.6197 -11.1573 -11.1573 -10.8775 -10.8775 -9.8011 -9.8011 -9.6878 -9.6878 -4.1614 -4.1614 -0.4046 -0.4046 0.1512 0.1512 0.7560 0.7560 1.1225 1.1225 1.6030 1.6030 1.9559 1.9559 2.1759 2.1759 2.5407 2.5407 3.2050 3.2050 3.5723 3.5723 3.6900 3.6900 3.9523 3.9523 4.4520 4.4520 4.8520 4.8520 5.2381 5.2381 5.5068 5.5068 5.7416 5.7416 6.1770 6.1770 6.3874 6.3874 6.6561 6.6561 7.0027 7.0027 7.2633 7.2633 11.4044 11.4044 11.7038 11.7038 12.6527 12.6527 15.2519 15.2519 16.1017 16.1017 16.7434 16.7434 k = 0.2368 0.1367 0.4865 ( 3720 PWs) bands (ev): -14.0385 -14.0385 -11.6751 -11.6751 -11.1652 -11.1652 -10.8599 -10.8599 -9.8135 -9.8135 -9.6870 -9.6870 -4.0895 -4.0895 -0.4554 -0.4554 0.1523 0.1523 0.7320 0.7320 1.1274 1.1274 1.6290 1.6290 1.9816 1.9816 2.2088 2.2088 2.5782 2.5782 3.1912 3.1912 3.5865 3.5865 3.6966 3.6966 3.9820 3.9820 4.4171 4.4171 4.7993 4.7993 5.2156 5.2156 5.5257 5.5257 5.7142 5.7142 6.1902 6.1902 6.3632 6.3632 6.6536 6.6536 6.9752 6.9752 7.2455 7.2455 11.4020 11.4020 11.7505 11.7505 12.6336 12.6336 15.2360 15.2360 16.1121 16.1121 16.7441 16.7441 k = 0.2500 0.1443 0.4865 ( 3720 PWs) bands (ev): -14.0100 -14.0100 -11.7315 -11.7315 -11.1731 -11.1731 -10.8416 -10.8416 -9.8267 -9.8267 -9.6864 -9.6864 -4.0161 -4.0161 -0.5069 -0.5069 0.1547 0.1547 0.7110 0.7110 1.1337 1.1337 1.6544 1.6544 1.9983 1.9983 2.2475 2.2475 2.6123 2.6123 3.1750 3.1750 3.6043 3.6043 3.6905 3.6905 4.0250 4.0250 4.3876 4.3876 4.7392 4.7392 5.1940 5.1940 5.5491 5.5491 5.6862 5.6862 6.2031 6.2031 6.3378 6.3378 6.6492 6.6492 6.9492 6.9492 7.2274 7.2274 11.3978 11.3978 11.7952 11.7952 12.6140 12.6140 15.2229 15.2229 16.1248 16.1248 16.7403 16.7403 k = 0.2632 0.1519 0.4865 ( 3720 PWs) bands (ev): -13.9803 -13.9803 -11.7886 -11.7886 -11.1810 -11.1810 -10.8227 -10.8227 -9.8406 -9.8406 -9.6859 -9.6859 -3.9414 -3.9414 -0.5589 -0.5589 0.1579 0.1579 0.6936 0.6936 1.1413 1.1413 1.6790 1.6790 2.0082 2.0082 2.2893 2.2893 2.6413 2.6413 3.1588 3.1588 3.6230 3.6230 3.6794 3.6794 4.0758 4.0758 4.3637 4.3637 4.6734 4.6734 5.1749 5.1749 5.5733 5.5733 5.6582 5.6582 6.2153 6.2153 6.3125 6.3125 6.6429 6.6429 6.9246 6.9246 7.2089 7.2089 11.3921 11.3921 11.8377 11.8377 12.5941 12.5941 15.2126 15.2126 16.1402 16.1402 16.7322 16.7322 k = 0.2763 0.1595 0.4865 ( 3720 PWs) bands (ev): -13.9496 -13.9496 -11.8462 -11.8462 -11.1887 -11.1887 -10.8032 -10.8032 -9.8552 -9.8552 -9.6855 -9.6855 -3.8660 -3.8660 -0.6113 -0.6113 0.1616 0.1616 0.6803 0.6803 1.1502 1.1502 1.7024 1.7024 2.0132 2.0132 2.3318 2.3318 2.6625 2.6625 3.1455 3.1455 3.6314 3.6314 3.6781 3.6781 4.1294 4.1294 4.3463 4.3463 4.6035 4.6035 5.1586 5.1586 5.5926 5.5926 5.6338 5.6338 6.2252 6.2252 6.2894 6.2894 6.6349 6.6349 6.9015 6.9015 7.1901 7.1901 11.3848 11.3848 11.8777 11.8777 12.5739 12.5739 15.2048 15.2048 16.1582 16.1582 16.7205 16.7205 k = 0.2895 0.1671 0.4865 ( 3716 PWs) bands (ev): -13.9177 -13.9177 -11.9041 -11.9041 -11.1962 -11.1962 -10.7832 -10.7832 -9.8705 -9.8705 -9.6851 -9.6851 -3.7901 -3.7901 -0.6640 -0.6640 0.1652 0.1652 0.6719 0.6719 1.1603 1.1603 1.7241 1.7241 2.0150 2.0150 2.3731 2.3731 2.6735 2.6735 3.1387 3.1387 3.6204 3.6204 3.6979 3.6979 4.1807 4.1807 4.3377 4.3377 4.5315 4.5315 5.1447 5.1447 5.5854 5.5854 5.6327 5.6327 6.2277 6.2277 6.2748 6.2748 6.6253 6.6253 6.8796 6.8796 7.1711 7.1711 11.3762 11.3762 11.9150 11.9150 12.5537 12.5537 15.1994 15.1994 16.1788 16.1788 16.7060 16.7060 k = 0.3026 0.1747 0.4865 ( 3718 PWs) bands (ev): -13.8850 -13.8850 -11.9620 -11.9620 -11.2035 -11.2035 -10.7628 -10.7628 -9.8865 -9.8865 -9.6849 -9.6849 -3.7142 -3.7142 -0.7167 -0.7167 0.1683 0.1683 0.6687 0.6687 1.1716 1.1716 1.7434 1.7434 2.0147 2.0147 2.4116 2.4116 2.6722 2.6722 3.1411 3.1411 3.6034 3.6034 3.7264 3.7264 4.2211 4.2211 4.3442 4.3442 4.4592 4.4592 5.1328 5.1328 5.5577 5.5577 5.6477 5.6477 6.2170 6.2170 6.2754 6.2754 6.6142 6.6142 6.8590 6.8590 7.1521 7.1521 11.3663 11.3663 11.9497 11.9497 12.5337 12.5337 15.1963 15.1963 16.2021 16.2021 16.6895 16.6895 k = 0.3158 0.1823 0.4865 ( 3720 PWs) bands (ev): -13.8515 -13.8515 -12.0196 -12.0196 -11.2105 -11.2105 -10.7421 -10.7421 -9.9030 -9.9030 -9.6847 -9.6847 -3.6386 -3.6386 -0.7692 -0.7692 0.1703 0.1703 0.6714 0.6714 1.1840 1.1840 1.7596 1.7596 2.0132 2.0132 2.4463 2.4463 2.6590 2.6590 3.1535 3.1535 3.5868 3.5868 3.7575 3.7575 4.2414 4.2414 4.3670 4.3670 4.3948 4.3948 5.1227 5.1227 5.5262 5.5262 5.6605 5.6605 6.2008 6.2008 6.2849 6.2849 6.6018 6.6018 6.8395 6.8395 7.1331 7.1331 11.3554 11.3554 11.9814 11.9814 12.5141 12.5141 15.1951 15.1951 16.2276 16.2276 16.6718 16.6718 k = 0.3289 0.1899 0.4865 ( 3722 PWs) bands (ev): -13.8173 -13.8173 -12.0767 -12.0767 -11.2173 -11.2173 -10.7212 -10.7212 -9.9199 -9.9199 -9.6846 -9.6846 -3.5638 -3.5638 -0.8214 -0.8214 0.1710 0.1710 0.6801 0.6801 1.1973 1.1973 1.7715 1.7715 2.0115 2.0115 2.4754 2.4754 2.6372 2.6372 3.1742 3.1742 3.5731 3.5731 3.7888 3.7888 4.2435 4.2435 4.3183 4.3183 4.4250 4.4250 5.1139 5.1139 5.4934 5.4934 5.6674 5.6674 6.1866 6.1866 6.2969 6.2969 6.5883 6.5883 6.8209 6.8209 7.1143 7.1143 11.3437 11.3437 12.0103 12.0103 12.4951 12.4951 15.1956 15.1956 16.2550 16.2550 16.6534 16.6534 k = 0.3421 0.1975 0.4865 ( 3726 PWs) bands (ev): -13.7827 -13.7827 -12.1330 -12.1330 -11.2237 -11.2237 -10.7001 -10.7001 -9.9372 -9.9372 -9.6846 -9.6846 -3.4903 -3.4903 -0.8730 -0.8730 0.1702 0.1702 0.6949 0.6949 1.2114 1.2114 1.7777 1.7777 2.0107 2.0107 2.4950 2.4950 2.6137 2.6137 3.2000 3.2000 3.5639 3.5639 3.8186 3.8186 4.2189 4.2189 4.2781 4.2781 4.4787 4.4787 5.1064 5.1064 5.4599 5.4599 5.6669 5.6669 6.1773 6.1773 6.3098 6.3098 6.5739 6.5739 6.8033 6.8033 7.0957 7.0957 11.3315 11.3315 12.0362 12.0362 12.4771 12.4771 15.1976 15.1976 16.2840 16.2840 16.6351 16.6351 k = 0.3553 0.2051 0.4865 ( 3728 PWs) bands (ev): -13.7478 -13.7478 -12.1881 -12.1881 -11.2297 -11.2297 -10.6792 -10.6792 -9.9547 -9.9547 -9.6846 -9.6846 -3.4185 -3.4185 -0.9236 -0.9236 0.1681 0.1681 0.7157 0.7157 1.2260 1.2260 1.7766 1.7766 2.0119 2.0119 2.4965 2.4965 2.6005 2.6005 3.2274 3.2274 3.5604 3.5604 3.8451 3.8451 4.1640 4.1640 4.2723 4.2723 4.5349 4.5349 5.0998 5.0998 5.4258 5.4258 5.6587 5.6587 6.1737 6.1737 6.3228 6.3228 6.5589 6.5589 6.7866 6.7866 7.0774 7.0774 11.3190 11.3190 12.0592 12.0592 12.4602 12.4602 15.2007 15.2007 16.3138 16.3138 16.6173 16.6173 k = 0.3684 0.2127 0.4865 ( 3728 PWs) bands (ev): -13.7130 -13.7130 -12.2418 -12.2418 -11.2353 -11.2353 -10.6584 -10.6584 -9.9723 -9.9723 -9.6846 -9.6846 -3.3491 -3.3491 -0.9730 -0.9730 0.1647 0.1647 0.7421 0.7421 1.2410 1.2410 1.7673 1.7673 2.0157 2.0157 2.4758 2.4758 2.6045 2.6045 3.2529 3.2529 3.5642 3.5642 3.8656 3.8656 4.1067 4.1067 4.2774 4.2774 4.5910 4.5910 5.0943 5.0943 5.3914 5.3914 5.6431 5.6431 6.1758 6.1758 6.3358 6.3358 6.5434 6.5434 6.7707 6.7707 7.0597 7.0597 11.3065 11.3065 12.0791 12.0791 12.4446 12.4446 15.2047 15.2047 16.3437 16.3437 16.6006 16.6006 k = 0.3816 0.2203 0.4865 ( 3728 PWs) bands (ev): -13.6785 -13.6785 -12.2935 -12.2935 -11.2405 -11.2405 -10.6380 -10.6380 -9.9898 -9.9898 -9.6847 -9.6847 -3.2826 -3.2826 -1.0207 -1.0207 0.1605 0.1605 0.7737 0.7737 1.2562 1.2562 1.7494 1.7494 2.0224 2.0224 2.4435 2.4435 2.6175 2.6175 3.2740 3.2740 3.5761 3.5761 3.8767 3.8767 4.0565 4.0565 4.2880 4.2880 4.6460 4.6460 5.0897 5.0897 5.3568 5.3568 5.6213 5.6213 6.1828 6.1828 6.3486 6.3486 6.5277 6.5277 6.7557 6.7557 7.0427 7.0427 11.2943 11.2943 12.0962 12.0962 12.4307 12.4307 15.2094 15.2094 16.3728 16.3728 16.5858 16.5858 k = 0.3947 0.2279 0.4865 ( 3720 PWs) bands (ev): -13.6447 -13.6447 -12.3428 -12.3428 -11.2452 -11.2452 -10.6183 -10.6183 -10.0069 -10.0069 -9.6847 -9.6847 -3.2197 -3.2197 -1.0661 -1.0661 0.1557 0.1557 0.8098 0.8098 1.2712 1.2712 1.7231 1.7231 2.0315 2.0315 2.4084 2.4084 2.6324 2.6324 3.2897 3.2897 3.5959 3.5959 3.8733 3.8733 4.0193 4.0193 4.3031 4.3031 4.6991 4.6991 5.0859 5.0859 5.3222 5.3222 5.5948 5.5948 6.1933 6.1933 6.3609 6.3609 6.5122 6.5122 6.7416 6.7416 7.0265 7.0265 11.2826 11.2826 12.1105 12.1105 12.4184 12.4184 15.2143 15.2143 16.3997 16.3997 16.5735 16.5735 k = 0.4079 0.2355 0.4865 ( 3722 PWs) bands (ev): -13.6123 -13.6123 -12.3893 -12.3893 -11.2494 -11.2494 -10.5994 -10.5994 -10.0235 -10.0235 -9.6848 -9.6848 -3.1612 -3.1612 -1.1089 -1.1089 0.1507 0.1507 0.8496 0.8496 1.2858 1.2858 1.6894 1.6894 2.0424 2.0424 2.3742 2.3742 2.6467 2.6467 3.3003 3.3003 3.6218 3.6218 3.8533 3.8533 3.9979 3.9979 4.3218 4.3218 4.7500 4.7500 5.0830 5.0830 5.2879 5.2879 5.5653 5.5653 6.2062 6.2062 6.3725 6.3725 6.4971 6.4971 6.7285 6.7285 7.0115 7.0115 11.2716 11.2716 12.1220 12.1220 12.4080 12.4080 15.2194 15.2194 16.4229 16.4229 16.5653 16.5653 k = 0.4211 0.2431 0.4865 ( 3726 PWs) bands (ev): -13.5816 -13.5816 -12.4321 -12.4321 -11.2531 -11.2531 -10.5818 -10.5818 -10.0391 -10.0391 -9.6849 -9.6849 -3.1079 -3.1079 -1.1482 -1.1482 0.1457 0.1457 0.8925 0.8925 1.2997 1.2997 1.6498 1.6498 2.0543 2.0543 2.3426 2.3426 2.6595 2.6595 3.3070 3.3070 3.6514 3.6514 3.8233 3.8233 3.9869 3.9869 4.3431 4.3431 4.7984 4.7984 5.0809 5.0809 5.2540 5.2540 5.5346 5.5346 6.2202 6.2202 6.3834 6.3834 6.4827 6.4827 6.7164 6.7164 6.9977 6.9977 11.2616 11.2616 12.1311 12.1311 12.3994 12.3994 15.2243 15.2243 16.4402 16.4402 16.5623 16.5623 k = 0.4342 0.2507 0.4865 ( 3724 PWs) bands (ev): -13.5535 -13.5535 -12.4706 -12.4706 -11.2563 -11.2563 -10.5657 -10.5657 -10.0534 -10.0534 -9.6850 -9.6850 -3.0606 -3.0606 -1.1834 -1.1834 0.1411 0.1411 0.9373 0.9373 1.3127 1.3127 1.6058 1.6058 2.0666 2.0666 2.3142 2.3142 2.6705 2.6705 3.3111 3.3111 3.6811 3.6811 3.7927 3.7927 3.9792 3.9792 4.3653 4.3653 4.8440 4.8440 5.0796 5.0796 5.2207 5.2207 5.5044 5.5044 6.2342 6.2342 6.3933 6.3933 6.4694 6.4694 6.7057 6.7057 6.9854 6.9854 11.2528 11.2528 12.1380 12.1380 12.3925 12.3925 15.2289 15.2289 16.4505 16.4505 16.5654 16.5654 k = 0.4474 0.2583 0.4865 ( 3728 PWs) bands (ev): -13.5287 -13.5287 -12.5039 -12.5039 -11.2589 -11.2589 -10.5517 -10.5517 -10.0661 -10.0661 -9.6851 -9.6851 -3.0202 -3.0202 -1.2137 -1.2137 0.1371 0.1371 0.9825 0.9825 1.3245 1.3245 1.5593 1.5593 2.0788 2.0788 2.2895 2.2895 2.6795 2.6795 3.3138 3.3138 3.7043 3.7043 3.7708 3.7708 3.9713 3.9713 4.3867 4.3867 4.8867 4.8867 5.0789 5.0789 5.1883 5.1883 5.4762 5.4762 6.2473 6.2473 6.4019 6.4019 6.4575 6.4575 6.6963 6.6963 6.9749 6.9749 11.2453 11.2453 12.1429 12.1429 12.3873 12.3873 15.2329 15.2329 16.4546 16.4546 16.5732 16.5732 k = 0.4605 0.2659 0.4865 ( 3740 PWs) bands (ev): -13.5081 -13.5081 -12.5312 -12.5312 -11.2609 -11.2609 -10.5401 -10.5401 -10.0766 -10.0766 -9.6852 -9.6852 -2.9876 -2.9876 -1.2383 -1.2383 0.1338 0.1338 1.0261 1.0261 1.3352 1.3352 1.5129 1.5129 2.0901 2.0901 2.2687 2.2687 2.6866 2.6866 3.3157 3.3157 3.7073 3.7073 3.7717 3.7717 3.9622 3.9622 4.4056 4.4056 4.9261 4.9261 5.0787 5.0787 5.1570 5.1570 5.4518 5.4518 6.2586 6.2586 6.4091 6.4091 6.4473 6.4473 6.6887 6.6887 6.9665 6.9665 11.2394 11.2394 12.1463 12.1463 12.3835 12.3835 15.2362 15.2362 16.4550 16.4550 16.5827 16.5827 k = 0.4737 0.2735 0.4865 ( 3740 PWs) bands (ev): -13.4926 -13.4926 -12.5515 -12.5515 -11.2624 -11.2624 -10.5314 -10.5314 -10.0845 -10.0845 -9.6852 -9.6852 -2.9637 -2.9637 -1.2565 -1.2565 0.1313 0.1313 1.0646 1.0646 1.3453 1.3453 1.4699 1.4699 2.0998 2.0998 2.2525 2.2525 2.6916 2.6916 3.3170 3.3170 3.6962 3.6962 3.7886 3.7886 3.9526 3.9526 4.4203 4.4203 4.9615 4.9615 5.0786 5.0786 5.1278 5.1278 5.4328 5.4328 6.2675 6.2675 6.4148 6.4148 6.4393 6.4393 6.6830 6.6830 6.9603 6.9603 11.2350 11.2350 12.1485 12.1485 12.3810 12.3810 15.2386 15.2386 16.4539 16.4539 16.5912 16.5912 k = 0.4868 0.2811 0.4865 ( 3732 PWs) bands (ev): -13.4829 -13.4829 -12.5641 -12.5641 -11.2633 -11.2633 -10.5260 -10.5260 -10.0894 -10.0894 -9.6853 -9.6853 -2.9491 -2.9491 -1.2677 -1.2677 0.1298 0.1298 1.0924 1.0924 1.3547 1.3547 1.4358 1.4358 2.1065 2.1065 2.2420 2.2420 2.6947 2.6947 3.3178 3.3178 3.6866 3.6866 3.8037 3.8037 3.9447 3.9447 4.4297 4.4297 4.9903 4.9903 5.0776 5.0776 5.1038 5.1038 5.4207 5.4207 6.2731 6.2731 6.4187 6.4187 6.4337 6.4337 6.6795 6.6795 6.9565 6.9565 11.2324 11.2324 12.1497 12.1497 12.3796 12.3796 15.2401 15.2401 16.4528 16.4528 16.5970 16.5970 k = 0.5000 0.2887 0.4865 ( 3728 PWs) bands (ev): -13.4796 -13.4796 -12.5683 -12.5683 -11.2636 -11.2636 -10.5242 -10.5242 -10.0911 -10.0911 -9.6853 -9.6853 -2.9441 -2.9441 -1.2715 -1.2715 0.1293 0.1293 1.1028 1.1028 1.3599 1.3599 1.4213 1.4213 2.1090 2.1090 2.2383 2.2383 2.6957 2.6957 3.3181 3.3181 3.6831 3.6831 3.8097 3.8097 3.9415 3.9415 4.4329 4.4329 5.0034 5.0034 5.0757 5.0757 5.0940 5.0940 5.4165 5.4165 6.2751 6.2751 6.4203 6.4203 6.4316 6.4316 6.6783 6.6783 6.9552 6.9552 11.2315 11.2315 12.1501 12.1501 12.3791 12.3791 15.2406 15.2406 16.4524 16.4524 16.5990 16.5990 k = 0.5000 0.2887 0.4865 ( 3728 PWs) bands (ev): -13.4796 -13.4796 -12.5683 -12.5683 -11.2636 -11.2636 -10.5242 -10.5242 -10.0911 -10.0911 -9.6853 -9.6853 -2.9441 -2.9441 -1.2715 -1.2715 0.1293 0.1293 1.1028 1.1028 1.3599 1.3599 1.4213 1.4213 2.1090 2.1090 2.2383 2.2383 2.6957 2.6957 3.3181 3.3181 3.6831 3.6831 3.8097 3.8097 3.9415 3.9415 4.4329 4.4329 5.0034 5.0034 5.0757 5.0757 5.0940 5.0940 5.4165 5.4165 6.2751 6.2751 6.4203 6.4203 6.4316 6.4316 6.6783 6.6783 6.9552 6.9552 11.2315 11.2315 12.1501 12.1501 12.3791 12.3791 15.2406 15.2406 16.4524 16.4524 16.5990 16.5990 k = 0.4924 0.3018 0.4865 ( 3730 PWs) bands (ev): -13.4787 -13.4787 -12.5693 -12.5693 -11.2641 -11.2641 -10.5237 -10.5237 -10.0918 -10.0918 -9.6849 -9.6849 -2.9421 -2.9421 -1.2734 -1.2734 0.1310 0.1310 1.1034 1.1034 1.3418 1.3418 1.4398 1.4398 2.0904 2.0904 2.2548 2.2548 2.6960 2.6960 3.3204 3.3204 3.6819 3.6819 3.8038 3.8038 3.9435 3.9435 4.4362 4.4362 5.0030 5.0030 5.0751 5.0751 5.0962 5.0962 5.4148 5.4148 6.2747 6.2747 6.4214 6.4214 6.4318 6.4318 6.6779 6.6779 6.9547 6.9547 11.2307 11.2307 12.1504 12.1504 12.3781 12.3781 15.2414 15.2414 16.4441 16.4441 16.6049 16.6049 k = 0.4848 0.3149 0.4865 ( 3734 PWs) bands (ev): -13.4759 -13.4759 -12.5722 -12.5722 -11.2656 -11.2656 -10.5223 -10.5223 -10.0937 -10.0937 -9.6839 -9.6839 -2.9359 -2.9359 -1.2791 -1.2791 0.1359 0.1359 1.1049 1.1049 1.3095 1.3095 1.4732 1.4732 2.0497 2.0497 2.2895 2.2895 2.6969 2.6969 3.3272 3.3272 3.6779 3.6779 3.7876 3.7876 3.9485 3.9485 4.4454 4.4454 5.0022 5.0022 5.0742 5.0742 5.1018 5.1018 5.4097 5.4097 6.2738 6.2738 6.4236 6.4236 6.4335 6.4335 6.6765 6.6765 6.9530 6.9530 11.2282 11.2282 12.1512 12.1512 12.3751 12.3751 15.2436 15.2436 16.4225 16.4225 16.6195 16.6195 k = 0.4773 0.3280 0.4865 ( 3726 PWs) bands (ev): -13.4711 -13.4711 -12.5771 -12.5771 -11.2681 -11.2681 -10.5200 -10.5200 -10.0969 -10.0969 -9.6822 -9.6822 -2.9257 -2.9257 -1.2887 -1.2887 0.1442 0.1442 1.1070 1.1070 1.2759 1.2759 1.5087 1.5087 2.0011 2.0011 2.3282 2.3282 2.6984 2.6984 3.3380 3.3380 3.6705 3.6705 3.7650 3.7650 3.9550 3.9550 4.4596 4.4596 5.0009 5.0009 5.0742 5.0742 5.1094 5.1094 5.4013 5.4013 6.2727 6.2727 6.4242 6.4242 6.4389 6.4389 6.6744 6.6744 6.9502 6.9502 11.2242 11.2242 12.1525 12.1525 12.3702 12.3702 15.2472 15.2472 16.3927 16.3927 16.6379 16.6379 k = 0.4697 0.3412 0.4865 ( 3730 PWs) bands (ev): -13.4645 -13.4645 -12.5839 -12.5839 -11.2716 -11.2716 -10.5167 -10.5167 -10.1012 -10.1012 -9.6800 -9.6800 -2.9114 -2.9114 -1.3020 -1.3020 0.1557 0.1557 1.1087 1.1087 1.2443 1.2443 1.5434 1.5434 1.9500 1.9500 2.3663 2.3663 2.7005 2.7005 3.3520 3.3520 3.6579 3.6579 3.7408 3.7408 3.9621 3.9621 4.4772 4.4772 4.9994 4.9994 5.0754 5.0754 5.1183 5.1183 5.3899 5.3899 6.2718 6.2718 6.4229 6.4229 6.4477 6.4477 6.6714 6.6714 6.9463 6.9463 11.2188 11.2188 12.1543 12.1543 12.3635 12.3635 15.2523 15.2523 16.3579 16.3579 16.6570 16.6570 k = 0.4621 0.3543 0.4865 ( 3722 PWs) bands (ev): -13.4560 -13.4560 -12.5928 -12.5928 -11.2759 -11.2759 -10.5124 -10.5124 -10.1066 -10.1066 -9.6773 -9.6773 -2.8932 -2.8932 -1.3191 -1.3191 0.1703 0.1703 1.1080 1.1080 1.2176 1.2176 1.5757 1.5757 1.8990 1.8990 2.4023 2.4023 2.7033 2.7033 3.3677 3.3677 3.6375 3.6375 3.7209 3.7209 3.9695 3.9695 4.4967 4.4967 4.9979 4.9979 5.0778 5.0778 5.1280 5.1280 5.3759 5.3759 6.2717 6.2717 6.4206 6.4206 6.4584 6.4584 6.6678 6.6678 6.9413 6.9413 11.2119 11.2119 12.1566 12.1566 12.3553 12.3553 15.2587 15.2587 16.3199 16.3199 16.6753 16.6753 k = 0.4545 0.3674 0.4865 ( 3734 PWs) bands (ev): -13.4456 -13.4456 -12.6036 -12.6036 -11.2809 -11.2809 -10.5073 -10.5073 -10.1131 -10.1131 -9.6743 -9.6743 -2.8710 -2.8710 -1.3399 -1.3399 0.1881 0.1881 1.1011 1.1011 1.1996 1.1996 1.6029 1.6029 1.8510 1.8510 2.4355 2.4355 2.7068 2.7068 3.3825 3.3825 3.6092 3.6092 3.7094 3.7094 3.9770 3.9770 4.5166 4.5166 4.9965 4.9965 5.0813 5.0813 5.1382 5.1382 5.3597 5.3597 6.2724 6.2724 6.4180 6.4180 6.4701 6.4701 6.6634 6.6634 6.9353 6.9353 11.2038 11.2038 12.1592 12.1592 12.3456 12.3456 15.2665 15.2665 16.2798 16.2798 16.6922 16.6922 k = 0.4470 0.3805 0.4865 ( 3734 PWs) bands (ev): -13.4334 -13.4334 -12.6164 -12.6164 -11.2865 -11.2865 -10.5012 -10.5012 -10.1205 -10.1205 -9.6711 -9.6711 -2.8450 -2.8450 -1.3642 -1.3642 0.2088 0.2088 1.0855 1.0855 1.1932 1.1932 1.6204 1.6204 1.8108 1.8108 2.4658 2.4658 2.7110 2.7110 3.3921 3.3921 3.5779 3.5779 3.7064 3.7064 3.9848 3.9848 4.5358 4.5358 4.9952 4.9952 5.0857 5.0857 5.1486 5.1486 5.3419 5.3419 6.2744 6.2744 6.4151 6.4151 6.4819 6.4819 6.6587 6.6587 6.9281 6.9281 11.1946 11.1946 12.1620 12.1620 12.3348 12.3348 15.2756 15.2756 16.2381 16.2381 16.7076 16.7076 k = 0.4394 0.3936 0.4865 ( 3738 PWs) bands (ev): -13.4193 -13.4193 -12.6312 -12.6312 -11.2925 -11.2925 -10.4942 -10.4942 -10.1287 -10.1287 -9.6678 -9.6678 -2.8153 -2.8153 -1.3922 -1.3922 0.2325 0.2325 1.0630 1.0630 1.1963 1.1963 1.6197 1.6197 1.7868 1.7868 2.4934 2.4934 2.7159 2.7159 3.3905 3.3905 3.5503 3.5503 3.7119 3.7119 3.9931 3.9931 4.5534 4.5534 4.9935 4.9935 5.0908 5.0908 5.1591 5.1591 5.3234 5.3234 6.2776 6.2776 6.4122 6.4122 6.4934 6.4934 6.6537 6.6537 6.9199 6.9199 11.1846 11.1846 12.1650 12.1650 12.3231 12.3231 15.2861 15.2861 16.1953 16.1953 16.7214 16.7214 k = 0.4318 0.4068 0.4865 ( 3738 PWs) bands (ev): -13.4033 -13.4033 -12.6480 -12.6480 -11.2990 -11.2990 -10.4864 -10.4864 -10.1377 -10.1377 -9.6645 -9.6645 -2.7819 -2.7819 -1.4235 -1.4235 0.2589 0.2589 1.0375 1.0375 1.2050 1.2050 1.5966 1.5966 1.7836 1.7836 2.5184 2.5184 2.7215 2.7215 3.3728 3.3728 3.5310 3.5310 3.7262 3.7262 4.0024 4.0024 4.5686 4.5686 4.9909 4.9909 5.0964 5.0964 5.1693 5.1693 5.3049 5.3049 6.2821 6.2821 6.4095 6.4095 6.5040 6.5040 6.6488 6.6488 6.9107 6.9107 11.1739 11.1739 12.1682 12.1682 12.3108 12.3108 15.2979 15.2979 16.1517 16.1517 16.7339 16.7339 k = 0.4242 0.4199 0.4865 ( 3738 PWs) bands (ev): -13.3855 -13.3855 -12.6669 -12.6669 -11.3056 -11.3056 -10.4777 -10.4777 -10.1474 -10.1474 -9.6612 -9.6612 -2.7450 -2.7450 -1.4582 -1.4582 0.2880 0.2880 1.0112 1.0112 1.2167 1.2167 1.5589 1.5589 1.7936 1.7936 2.5412 2.5412 2.7278 2.7278 3.3405 3.3405 3.5187 3.5187 3.7491 3.7491 4.0131 4.0131 4.5810 4.5810 4.9863 4.9863 5.1026 5.1026 5.1790 5.1790 5.2875 5.2875 6.2878 6.2878 6.4070 6.4070 6.5132 6.5132 6.6443 6.6443 6.9005 6.9005 11.1627 11.1627 12.1713 12.1713 12.2983 12.2983 15.3111 15.3111 16.1077 16.1077 16.7452 16.7452 k = 0.4167 0.4330 0.4865 ( 3748 PWs) bands (ev): -13.3659 -13.3659 -12.6877 -12.6877 -11.3122 -11.3122 -10.4681 -10.4681 -10.1578 -10.1578 -9.6581 -9.6581 -2.7047 -2.7047 -1.4962 -1.4962 0.3195 0.3195 0.9852 0.9852 1.2294 1.2294 1.5159 1.5159 1.8078 1.8078 2.5622 2.5622 2.7348 2.7348 3.2996 3.2996 3.5088 3.5088 3.7787 3.7787 4.0260 4.0260 4.5904 4.5904 4.9787 4.9787 5.1093 5.1093 5.1881 5.1881 5.2724 5.2724 6.2946 6.2946 6.4049 6.4049 6.5205 6.5205 6.6406 6.6406 6.8894 6.8894 11.1512 11.1512 12.1742 12.1742 12.2858 12.2858 15.3257 15.3257 16.0635 16.0635 16.7556 16.7556 k = 0.4091 0.4461 0.4865 ( 3748 PWs) bands (ev): -13.3445 -13.3445 -12.7105 -12.7105 -11.3188 -11.3188 -10.4577 -10.4577 -10.1688 -10.1688 -9.6553 -9.6553 -2.6612 -2.6612 -1.5372 -1.5372 0.3532 0.3532 0.9602 0.9602 1.2408 1.2408 1.4739 1.4739 1.8216 1.8216 2.5819 2.5819 2.7425 2.7425 3.2546 3.2546 3.4987 3.4987 3.8121 3.8121 4.0425 4.0425 4.5966 4.5966 4.9670 4.9670 5.1166 5.1166 5.1964 5.1964 5.2603 5.2603 6.3022 6.3022 6.4032 6.4032 6.5256 6.5256 6.6382 6.6382 6.8774 6.8774 11.1397 11.1397 12.1769 12.1769 12.2736 12.2736 15.3417 15.3417 16.0193 16.0193 16.7651 16.7651 k = 0.4015 0.4593 0.4865 ( 3744 PWs) bands (ev): -13.3212 -13.3212 -12.7353 -12.7353 -11.3251 -11.3251 -10.4464 -10.4464 -10.1804 -10.1804 -9.6527 -9.6527 -2.6147 -2.6147 -1.5812 -1.5812 0.3891 0.3891 0.9363 0.9363 1.2475 1.2475 1.4379 1.4379 1.8330 1.8330 2.6006 2.6006 2.7506 2.7506 3.2084 3.2084 3.4877 3.4877 3.8456 3.8456 4.0642 4.0642 4.5999 4.5999 4.9505 4.9505 5.1246 5.1246 5.2037 5.2037 5.2517 5.2517 6.3106 6.3106 6.4018 6.4018 6.5287 6.5287 6.6372 6.6372 6.8648 6.8648 11.1284 11.1284 12.1791 12.1791 12.2623 12.2623 15.3594 15.3594 15.9752 15.9752 16.7740 16.7740 k = 0.3939 0.4724 0.4865 ( 3740 PWs) bands (ev): -13.2962 -13.2962 -12.7620 -12.7620 -11.3310 -11.3310 -10.4344 -10.4344 -10.1926 -10.1926 -9.6504 -9.6504 -2.5652 -2.5652 -1.6281 -1.6281 0.4266 0.4266 0.9138 0.9138 1.2438 1.2438 1.4141 1.4141 1.8409 1.8409 2.6187 2.6187 2.7591 2.7591 3.1627 3.1627 3.4761 3.4761 3.8758 3.8758 4.0929 4.0929 4.6003 4.6003 4.9291 4.9291 5.1331 5.1331 5.2098 5.2098 5.2463 5.2463 6.3196 6.3196 6.4007 6.4007 6.5302 6.5302 6.6373 6.6373 6.8516 6.8516 11.1175 11.1175 12.1808 12.1808 12.2519 12.2519 15.3787 15.3787 15.9315 15.9315 16.7823 16.7823 k = 0.3864 0.4855 0.4865 ( 3744 PWs) bands (ev): -13.2694 -13.2694 -12.7905 -12.7905 -11.3365 -11.3365 -10.4216 -10.4216 -10.2054 -10.2054 -9.6485 -9.6485 -2.5131 -2.5131 -1.6777 -1.6777 0.4655 0.4655 0.8929 0.8929 1.2257 1.2257 1.4068 1.4068 1.8449 1.8449 2.6365 2.6365 2.7677 2.7677 3.1186 3.1186 3.4642 3.4642 3.9004 3.9004 4.1293 4.1293 4.5981 4.5981 4.9034 4.9034 5.1422 5.1422 5.2149 5.2149 5.2435 5.2435 6.3287 6.3287 6.3996 6.3996 6.5307 6.5307 6.6382 6.6382 6.8381 6.8381 11.1073 11.1073 12.1816 12.1816 12.2430 12.2430 15.3998 15.3998 15.8883 15.8883 16.7900 16.7900 k = 0.3788 0.4986 0.4865 ( 3744 PWs) bands (ev): -13.2408 -13.2408 -12.8208 -12.8208 -11.3415 -11.3415 -10.4081 -10.4081 -10.2189 -10.2189 -9.6469 -9.6469 -2.4584 -2.4584 -1.7298 -1.7298 0.5051 0.5051 0.8736 0.8736 1.1961 1.1961 1.4133 1.4133 1.8449 1.8449 2.6541 2.6541 2.7760 2.7760 3.0771 3.0771 3.4526 3.4526 3.9191 3.9191 4.1728 4.1728 4.5936 4.5936 4.8741 4.8741 5.1515 5.1515 5.2189 5.2189 5.2424 5.2424 6.3379 6.3379 6.3982 6.3982 6.5312 6.5312 6.6393 6.6393 6.8247 6.8247 11.0979 11.0979 12.1816 12.1816 12.2357 12.2357 15.4228 15.4228 15.8456 15.8456 16.7971 16.7971 k = 0.3712 0.5117 0.4865 ( 3752 PWs) bands (ev): -13.2106 -13.2106 -12.8528 -12.8528 -11.3457 -11.3457 -10.3938 -10.3938 -10.2329 -10.2329 -9.6456 -9.6456 -2.4015 -2.4015 -1.7845 -1.7845 0.5448 0.5448 0.8564 0.8564 1.1609 1.1609 1.4274 1.4274 1.8413 1.8413 2.6718 2.6718 2.7833 2.7833 3.0391 3.0391 3.4415 3.4415 3.9325 3.9325 4.2212 4.2212 4.5873 4.5873 4.8422 4.8422 5.1607 5.1607 5.2219 5.2219 5.2420 5.2420 6.3469 6.3469 6.3964 6.3964 6.5325 6.5325 6.6399 6.6399 6.8118 6.8118 11.0895 11.0895 12.1807 12.1807 12.2302 12.2302 15.4478 15.4478 15.8037 15.8037 16.8035 16.8035 k = 0.3636 0.5249 0.4865 ( 3756 PWs) bands (ev): -13.1786 -13.1786 -12.8864 -12.8864 -11.3493 -11.3493 -10.3789 -10.3789 -10.2476 -10.2476 -9.6445 -9.6445 -2.3424 -2.3424 -1.8414 -1.8414 0.5830 0.5830 0.8419 0.8419 1.1246 1.1246 1.4446 1.4446 1.8349 1.8349 2.6894 2.6894 2.7887 2.7887 3.0058 3.0058 3.4316 3.4316 3.9420 3.9420 4.2718 4.2718 4.5801 4.5801 4.8088 4.8088 5.1696 5.1696 5.2241 5.2241 5.2417 5.2417 6.3553 6.3553 6.3940 6.3940 6.5353 6.5353 6.6394 6.6394 6.8001 6.8001 11.0823 11.0823 12.1792 12.1792 12.2263 12.2263 15.4749 15.4749 15.7624 15.7624 16.8092 16.8092 k = 0.3561 0.5380 0.4865 ( 3760 PWs) bands (ev): -13.1450 -13.1450 -12.9214 -12.9214 -11.3522 -11.3522 -10.3633 -10.3633 -10.2629 -10.2629 -9.6438 -9.6438 -2.2815 -2.2815 -1.9005 -1.9005 0.6177 0.6177 0.8311 0.8311 1.0902 1.0902 1.4619 1.4619 1.8267 1.8267 2.7070 2.7070 2.7910 2.7910 2.9786 2.9786 3.4231 3.4231 3.9485 3.9485 4.3208 4.3208 4.5735 4.5735 4.7749 4.7749 5.1778 5.1778 5.2254 5.2254 5.2410 5.2410 6.3627 6.3627 6.3912 6.3912 6.5396 6.5396 6.6375 6.6375 6.7900 6.7900 11.0766 11.0766 12.1774 12.1774 12.2238 12.2238 15.5041 15.5041 15.7221 15.7221 16.8138 16.8138 k = 0.3485 0.5511 0.4865 ( 3764 PWs) bands (ev): -13.1098 -13.1098 -12.9578 -12.9578 -11.3542 -11.3542 -10.3471 -10.3471 -10.2789 -10.2789 -9.6433 -9.6433 -2.2189 -2.2189 -1.9616 -1.9616 0.6455 0.6455 0.8254 0.8254 1.0603 1.0603 1.4767 1.4767 1.8184 1.8184 2.7241 2.7241 2.7887 2.7887 2.9589 2.9589 3.4165 3.4165 3.9526 3.9526 4.3631 4.3631 4.5704 4.5704 4.7422 4.7422 5.1849 5.1849 5.2261 5.2261 5.2399 5.2399 6.3689 6.3689 6.3882 6.3882 6.5449 6.5449 6.6342 6.6342 6.7825 6.7825 11.0723 11.0723 12.1759 12.1759 12.2223 12.2223 15.5354 15.5354 15.6827 15.6827 16.8174 16.8174 k = 0.3409 0.5642 0.4865 ( 3772 PWs) bands (ev): -13.0730 -13.0730 -12.9953 -12.9953 -11.3554 -11.3554 -10.3304 -10.3304 -10.2954 -10.2954 -9.6430 -9.6430 -2.1550 -2.1550 -2.0246 -2.0246 0.6627 0.6627 0.8253 0.8253 1.0385 1.0385 1.4870 1.4870 1.8120 1.8120 2.7396 2.7396 2.7818 2.7818 2.9477 2.9477 3.4122 3.4122 3.9549 3.9549 4.3917 4.3917 4.5738 4.5738 4.7146 4.7146 5.1898 5.1898 5.2269 5.2269 5.2382 5.2382 6.3730 6.3730 6.3859 6.3859 6.5500 6.5500 6.6305 6.6305 6.7778 6.7778 11.0697 11.0697 12.1748 12.1748 12.2214 12.2214 15.5687 15.5687 15.6446 15.6446 16.8196 16.8196 k = 0.3333 0.5774 0.4865 ( 3768 PWs) bands (ev): -13.0386 -13.0386 -13.0300 -13.0300 -11.3559 -11.3559 -10.3153 -10.3153 -10.3105 -10.3105 -9.6429 -9.6429 -2.0935 -2.0935 -2.0857 -2.0857 0.6681 0.6681 0.8269 0.8269 1.0301 1.0301 1.4907 1.4907 1.8095 1.8095 2.7481 2.7481 2.7759 2.7759 2.9444 2.9444 3.4107 3.4107 3.9557 3.9557 4.4010 4.4010 4.5787 4.5787 4.7017 4.7017 5.1916 5.1916 5.2276 5.2276 5.2370 5.2370 6.3744 6.3744 6.3852 6.3852 6.5524 6.5524 6.6285 6.6285 6.7763 6.7763 11.0688 11.0688 12.1745 12.1745 12.2212 12.2212 15.5967 15.5967 15.6150 15.6150 16.8204 16.8204 k = 0.3333 0.5774 0.4865 ( 3768 PWs) bands (ev): -13.0386 -13.0386 -13.0300 -13.0300 -11.3559 -11.3559 -10.3153 -10.3153 -10.3105 -10.3105 -9.6429 -9.6429 -2.0935 -2.0935 -2.0857 -2.0857 0.6681 0.6681 0.8269 0.8269 1.0301 1.0301 1.4907 1.4907 1.8095 1.8095 2.7481 2.7481 2.7759 2.7759 2.9444 2.9444 3.4107 3.4107 3.9557 3.9557 4.4010 4.4010 4.5787 4.5787 4.7017 4.7017 5.1916 5.1916 5.2276 5.2276 5.2370 5.2370 6.3744 6.3744 6.3852 6.3852 6.5524 6.5524 6.6285 6.6285 6.7763 6.7763 11.0688 11.0688 12.1745 12.1745 12.2212 12.2212 15.5967 15.5967 15.6150 15.6150 16.8204 16.8204 k = 0.3258 0.5642 0.4865 ( 3776 PWs) bands (ev): -13.0743 -13.0743 -12.9940 -12.9940 -11.3554 -11.3554 -10.3310 -10.3310 -10.2949 -10.2949 -9.6430 -9.6430 -2.1563 -2.1563 -2.0233 -2.0233 0.6639 0.6639 0.8232 0.8232 1.0394 1.0394 1.4868 1.4868 1.8123 1.8123 2.7387 2.7387 2.7831 2.7831 2.9471 2.9471 3.4124 3.4124 3.9550 3.9550 4.3935 4.3935 4.5689 4.5689 4.7174 4.7174 5.1899 5.1899 5.2256 5.2256 5.2395 5.2395 6.3736 6.3736 6.3854 6.3854 6.5492 6.5492 6.6313 6.6313 6.7778 6.7778 11.0697 11.0697 12.1748 12.1748 12.2215 12.2215 15.5681 15.5681 15.6452 15.6452 16.8196 16.8196 k = 0.3182 0.5511 0.4865 ( 3772 PWs) bands (ev): -13.1147 -13.1147 -12.9526 -12.9526 -11.3542 -11.3542 -10.3495 -10.3495 -10.2766 -10.2766 -9.6432 -9.6432 -2.2245 -2.2245 -1.9563 -1.9563 0.6534 0.6534 0.8112 0.8112 1.0661 1.0661 1.4751 1.4751 1.8209 1.8209 2.7205 2.7205 2.7957 2.7957 2.9539 2.9539 3.4177 3.4177 3.9530 3.9530 4.3749 4.3749 4.5432 4.5432 4.7569 4.7569 5.1855 5.1855 5.2198 5.2198 5.2460 5.2460 6.3723 6.3723 6.3852 6.3852 6.5397 6.5397 6.6400 6.6400 6.7819 6.7819 11.0724 11.0724 12.1755 12.1755 12.2227 12.2227 15.5330 15.5330 15.6851 15.6851 16.8169 16.8169 k = 0.3106 0.5380 0.4865 ( 3760 PWs) bands (ev): -13.1559 -13.1559 -12.9097 -12.9097 -11.3522 -11.3522 -10.3686 -10.3686 -10.2579 -10.2579 -9.6436 -9.6436 -2.2942 -2.2942 -1.8887 -1.8887 0.6390 0.6390 0.7933 0.7933 1.1049 1.1049 1.4570 1.4570 1.8344 1.8344 2.6999 2.6999 2.8079 2.8079 2.9637 2.9637 3.4271 3.4271 3.9497 3.9497 4.3491 4.3491 4.5103 4.5103 4.8068 4.8068 5.1793 5.1793 5.2118 5.2118 5.2546 5.2546 6.3713 6.3713 6.3839 6.3839 6.5254 6.5254 6.6531 6.6531 6.7885 6.7885 11.0770 11.0770 12.1761 12.1761 12.2251 12.2251 15.4986 15.4986 15.7275 15.7275 16.8121 16.8121 k = 0.3030 0.5249 0.4865 ( 3760 PWs) bands (ev): -13.1977 -13.1977 -12.8652 -12.8652 -11.3494 -11.3494 -10.3884 -10.3884 -10.2387 -10.2387 -9.6440 -9.6440 -2.3654 -2.3654 -1.8208 -1.8208 0.6221 0.6221 0.7724 0.7724 1.1510 1.1510 1.4342 1.4342 1.8518 1.8518 2.6787 2.6787 2.8182 2.8182 2.9755 2.9755 3.4410 3.4410 3.9452 3.9452 4.3184 4.3184 4.4750 4.4750 4.8597 4.8597 5.1725 5.1725 5.2020 5.2020 5.2647 5.2647 6.3702 6.3702 6.3820 6.3820 6.5082 6.5082 6.6692 6.6692 6.7971 6.7971 11.0835 11.0835 12.1761 12.1761 12.2293 12.2293 15.4653 15.4653 15.7719 15.7719 16.8052 16.8052 k = 0.2955 0.5117 0.4865 ( 3758 PWs) bands (ev): -13.2399 -13.2399 -12.8194 -12.8194 -11.3459 -11.3459 -10.4087 -10.4087 -10.2193 -10.2193 -9.6445 -9.6445 -2.4378 -2.4378 -1.7526 -1.7526 0.6034 0.6034 0.7507 0.7507 1.2007 1.2007 1.4088 1.4088 1.8719 1.8719 2.6574 2.6574 2.8260 2.8260 2.9887 2.9887 3.4596 3.4596 3.9395 3.9395 4.2836 4.2836 4.4393 4.4393 4.9114 4.9114 5.1662 5.1662 5.1911 5.1911 5.2758 5.2758 6.3676 6.3676 6.3811 6.3811 6.4893 6.4893 6.6869 6.6869 6.8077 6.8077 11.0917 11.0917 12.1751 12.1751 12.2355 12.2355 15.4330 15.4330 15.8181 15.8181 16.7959 16.7959 k = 0.2879 0.4986 0.4865 ( 3746 PWs) bands (ev): -13.2825 -13.2825 -12.7723 -12.7723 -11.3417 -11.3417 -10.4295 -10.4295 -10.1995 -10.1995 -9.6451 -9.6451 -2.5116 -2.5116 -1.6844 -1.6844 0.5835 0.5835 0.7291 0.7291 1.2511 1.2511 1.3831 1.3831 1.8938 1.8938 2.6363 2.6363 2.8312 2.8312 3.0028 3.0028 3.4830 3.4830 3.9327 3.9327 4.2450 4.2450 4.4047 4.4047 4.9572 4.9572 5.1626 5.1626 5.1800 5.1800 5.2880 5.2880 6.3626 6.3626 6.3822 6.3822 6.4697 6.4697 6.7057 6.7057 6.8200 6.8200 11.1017 11.1017 12.1727 12.1727 12.2441 12.2441 15.4020 15.4020 15.8660 15.8660 16.7841 16.7841 k = 0.2803 0.4855 0.4865 ( 3746 PWs) bands (ev): -13.3252 -13.3252 -12.7239 -12.7239 -11.3368 -11.3368 -10.4508 -10.4508 -10.1795 -10.1795 -9.6457 -9.6457 -2.5865 -2.5865 -1.6164 -1.6164 0.5625 0.5625 0.7082 0.7082 1.2957 1.2957 1.3631 1.3631 1.9172 1.9172 2.6153 2.6153 2.8340 2.8340 3.0172 3.0172 3.5112 3.5112 3.9249 3.9249 4.2028 4.2028 4.3723 4.3723 4.9902 4.9902 5.1656 5.1656 5.1712 5.1712 5.3014 5.3014 6.3557 6.3557 6.3849 6.3849 6.4501 6.4501 6.7247 6.7247 6.8340 6.8340 11.1133 11.1133 12.1689 12.1689 12.2548 12.2548 15.3723 15.3723 15.9152 15.9152 16.7697 16.7697 k = 0.2727 0.4724 0.4865 ( 3742 PWs) bands (ev): -13.3680 -13.3680 -12.6743 -12.6743 -11.3313 -11.3313 -10.4725 -10.4725 -10.1593 -10.1593 -9.6465 -9.6465 -2.6624 -2.6624 -1.5486 -1.5486 0.5407 0.5407 0.6886 0.6886 1.3068 1.3068 1.3760 1.3760 1.9420 1.9420 2.5944 2.5944 2.8346 2.8346 3.0312 3.0312 3.5437 3.5437 3.9163 3.9163 4.1572 4.1572 4.3432 4.3432 5.0023 5.0023 5.1604 5.1604 5.1869 5.1869 5.3161 5.3161 6.3477 6.3477 6.3878 6.3878 6.4315 6.4315 6.7437 6.7437 6.8496 6.8496 11.1264 11.1264 12.1637 12.1637 12.2676 12.2676 15.3439 15.3439 15.9654 15.9654 16.7528 16.7528 k = 0.2652 0.4593 0.4865 ( 3742 PWs) bands (ev): -13.4107 -13.4107 -12.6235 -12.6235 -11.3252 -11.3252 -10.4945 -10.4945 -10.1389 -10.1389 -9.6472 -9.6472 -2.7394 -2.7394 -1.4812 -1.4812 0.5180 0.5180 0.6704 0.6704 1.2879 1.2879 1.4179 1.4179 1.9684 1.9684 2.5736 2.5736 2.8335 2.8335 3.0445 3.0445 3.5795 3.5795 3.9076 3.9076 4.1087 4.1087 4.3180 4.3180 4.9932 4.9932 5.1537 5.1537 5.2199 5.2199 5.3322 5.3322 6.3391 6.3391 6.3879 6.3879 6.4173 6.4173 6.7622 6.7622 6.8666 6.8666 11.1410 11.1410 12.1572 12.1572 12.2820 12.2820 15.3170 15.3170 16.0164 16.0164 16.7334 16.7334 k = 0.2576 0.4461 0.4865 ( 3750 PWs) bands (ev): -13.4533 -13.4533 -12.5716 -12.5716 -11.3185 -11.3185 -10.5169 -10.5169 -10.1185 -10.1185 -9.6481 -9.6481 -2.8173 -2.8173 -1.4144 -1.4144 0.4944 0.4944 0.6541 0.6541 1.2651 1.2651 1.4615 1.4615 1.9967 1.9967 2.5527 2.5527 2.8312 2.8312 3.0564 3.0564 3.6169 3.6169 3.8995 3.8995 4.0581 4.0581 4.2974 4.2974 4.9694 4.9694 5.1484 5.1484 5.2601 5.2601 5.3501 5.3501 6.3303 6.3303 6.3788 6.3788 6.4137 6.4137 6.7801 6.7801 6.8852 6.8852 11.1567 11.1567 12.1492 12.1492 12.2980 12.2980 15.2916 15.2916 16.0677 16.0677 16.7117 16.7117 k = 0.2500 0.4330 0.4865 ( 3746 PWs) bands (ev): -13.4956 -13.4956 -12.5187 -12.5187 -11.3113 -11.3113 -10.5394 -10.5394 -10.0980 -10.0980 -9.6490 -9.6490 -2.8960 -2.8960 -1.3482 -1.3482 0.4700 0.4700 0.6400 0.6400 1.2432 1.2432 1.5014 1.5014 2.0273 2.0273 2.5315 2.5315 2.8283 2.8283 3.0669 3.0669 3.6528 3.6528 3.8935 3.8935 4.0073 4.0073 4.2820 4.2820 4.9362 4.9362 5.1445 5.1445 5.3012 5.3012 5.3703 5.3703 6.3213 6.3213 6.3638 6.3638 6.4180 6.4180 6.7971 6.7971 6.9050 6.9050 11.1735 11.1735 12.1399 12.1399 12.3154 12.3154 15.2679 15.2679 16.1188 16.1188 16.6880 16.6880 k = 0.2424 0.4199 0.4865 ( 3738 PWs) bands (ev): -13.5375 -13.5375 -12.4648 -12.4648 -11.3037 -11.3037 -10.5622 -10.5622 -10.0775 -10.0775 -9.6500 -9.6500 -2.9754 -2.9754 -1.2827 -1.2827 0.4449 0.4449 0.6282 0.6282 1.2230 1.2230 1.5359 1.5359 2.0601 2.0601 2.5101 2.5101 2.8254 2.8254 3.0755 3.0755 3.6823 3.6823 3.8890 3.8890 3.9619 3.9619 4.2722 4.2722 4.8964 4.8964 5.1416 5.1416 5.3392 5.3392 5.3939 5.3939 6.3118 6.3118 6.3491 6.3491 6.4249 6.4249 6.8132 6.8132 6.9260 6.9260 11.1911 11.1911 12.1290 12.1290 12.3340 12.3340 15.2461 15.2461 16.1690 16.1690 16.6629 16.6629 k = 0.2348 0.4068 0.4865 ( 3734 PWs) bands (ev): -13.5789 -13.5789 -12.4101 -12.4101 -11.2956 -11.2956 -10.5850 -10.5850 -10.0571 -10.0571 -9.6511 -9.6511 -3.0555 -3.0555 -1.2179 -1.2179 0.4192 0.4192 0.6191 0.6191 1.2049 1.2049 1.5642 1.5642 2.0946 2.0946 2.4882 2.4882 2.8231 2.8231 3.0822 3.0822 3.6992 3.6992 3.8720 3.8720 3.9420 3.9420 4.2689 4.2689 4.8515 4.8515 5.1398 5.1398 5.3719 5.3719 5.4212 5.4212 6.3005 6.3005 6.3378 6.3378 6.4329 6.4329 6.8285 6.8285 6.9480 6.9480 11.2094 11.2094 12.1165 12.1165 12.3536 12.3536 15.2262 15.2262 16.2174 16.2174 16.6373 16.6373 k = 0.2273 0.3936 0.4865 ( 3730 PWs) bands (ev): -13.6197 -13.6197 -12.3545 -12.3545 -11.2872 -11.2872 -10.6078 -10.6078 -10.0369 -10.0369 -9.6523 -9.6523 -3.1361 -3.1361 -1.1540 -1.1540 0.3931 0.3931 0.6126 0.6126 1.1889 1.1889 1.5861 1.5861 2.1298 2.1298 2.4657 2.4657 2.8219 2.8219 3.0869 3.0869 3.6991 3.6991 3.8355 3.8355 3.9583 3.9583 4.2732 4.2732 4.8025 4.8025 5.1387 5.1387 5.3998 5.3998 5.4505 5.4505 6.2870 6.2870 6.3317 6.3317 6.4414 6.4414 6.8429 6.8429 6.9706 6.9706 11.2280 11.2280 12.1022 12.1022 12.3741 12.3741 15.2085 15.2085 16.2625 16.2625 16.6127 16.6127 k = 0.2197 0.3805 0.4865 ( 3732 PWs) bands (ev): -13.6599 -13.6599 -12.2983 -12.2983 -11.2784 -11.2784 -10.6307 -10.6307 -10.0168 -10.0168 -9.6536 -9.6536 -3.2171 -3.2171 -1.0909 -1.0909 0.3670 0.3670 0.6089 0.6089 1.1750 1.1750 1.6018 1.6018 2.1640 2.1640 2.4428 2.4428 2.8221 2.8221 3.0899 3.0899 3.6819 3.6819 3.7999 3.7999 3.9896 3.9896 4.2870 4.2870 4.7501 4.7501 5.1383 5.1383 5.4250 5.4250 5.4786 5.4786 6.2718 6.2718 6.3307 6.3307 6.4501 6.4501 6.8566 6.8566 6.9938 6.9938 11.2468 11.2468 12.0859 12.0859 12.3952 12.3952 15.1930 15.1930 16.3020 16.3020 16.5915 16.5915 k = 0.2121 0.3674 0.4865 ( 3740 PWs) bands (ev): -13.6994 -13.6994 -12.2415 -12.2415 -11.2694 -11.2694 -10.6534 -10.6534 -9.9969 -9.9969 -9.6549 -9.6549 -3.2983 -3.2983 -1.0287 -1.0287 0.3412 0.3412 0.6080 0.6080 1.1630 1.1630 1.6118 1.6118 2.1950 2.1950 2.4194 2.4194 2.8234 2.8234 3.0919 3.0919 3.6509 3.6509 3.7729 3.7729 4.0238 4.0238 4.3120 4.3120 4.6951 4.6951 5.1383 5.1383 5.4491 5.4491 5.5032 5.5032 6.2563 6.2563 6.3343 6.3343 6.4589 6.4589 6.8698 6.8698 7.0173 7.0173 11.2655 11.2655 12.0676 12.0676 12.4169 12.4169 15.1800 15.1800 16.3319 16.3319 16.5776 16.5776 k = 0.2045 0.3543 0.4865 ( 3744 PWs) bands (ev): -13.7381 -13.7381 -12.1842 -12.1842 -11.2601 -11.2601 -10.6759 -10.6759 -9.9774 -9.9774 -9.6564 -9.6564 -3.3797 -3.3797 -0.9674 -0.9674 0.3161 0.3161 0.6098 0.6098 1.1529 1.1529 1.6170 1.6170 2.2206 2.2206 2.3958 2.3958 2.8248 2.8248 3.0941 3.0941 3.6127 3.6127 3.7536 3.7536 4.0550 4.0550 4.3494 4.3494 4.6383 4.6383 5.1388 5.1388 5.4727 5.4727 5.5232 5.5232 6.2409 6.2409 6.3422 6.3422 6.4677 6.4677 6.8824 6.8824 7.0409 7.0409 11.2838 11.2838 12.0470 12.0470 12.4390 12.4390 15.1696 15.1696 16.3475 16.3475 16.5760 16.5760 k = 0.1970 0.3412 0.4865 ( 3744 PWs) bands (ev): -13.7758 -13.7758 -12.1265 -12.1265 -11.2506 -11.2506 -10.6982 -10.6982 -9.9582 -9.9582 -9.6580 -9.6580 -3.4611 -3.4611 -0.9069 -0.9069 0.2920 0.2920 0.6143 0.6143 1.1445 1.1445 1.6180 1.6180 2.2385 2.2385 2.3728 2.3728 2.8239 2.8239 3.0988 3.0988 3.5730 3.5730 3.7396 3.7396 4.0809 4.0809 4.3975 4.3975 4.5815 4.5815 5.1395 5.1395 5.4952 5.4952 5.5388 5.5388 6.2261 6.2261 6.3543 6.3543 6.4762 6.4762 6.8948 6.8948 7.0645 7.0645 11.3016 11.3016 12.0240 12.0240 12.4613 12.4613 15.1618 15.1618 16.3467 16.3467 16.5889 16.5889 k = 0.1894 0.3280 0.4865 ( 3732 PWs) bands (ev): -13.8127 -13.8127 -12.0686 -12.0686 -11.2409 -11.2409 -10.7202 -10.7202 -9.9394 -9.9394 -9.6598 -9.6598 -3.5423 -3.5423 -0.8474 -0.8474 0.2691 0.2691 0.6214 0.6214 1.1377 1.1377 1.6154 1.6154 2.2463 2.2463 2.3515 2.3515 2.8173 2.8173 3.1088 3.1088 3.5353 3.5353 3.7295 3.7295 4.1017 4.1017 4.4478 4.4478 4.5322 4.5322 5.1404 5.1404 5.5141 5.5141 5.5525 5.5525 6.2120 6.2120 6.3702 6.3702 6.4846 6.4846 6.9070 6.9070 7.0880 7.0880 11.3185 11.3185 11.9985 11.9985 12.4838 12.4838 15.1570 15.1570 16.3329 16.3329 16.6127 16.6127 k = 0.1818 0.3149 0.4865 ( 3730 PWs) bands (ev): -13.8485 -13.8485 -12.0105 -12.0105 -11.2312 -11.2312 -10.7418 -10.7418 -9.9211 -9.9211 -9.6616 -9.6616 -3.6232 -3.6232 -0.7888 -0.7888 0.2479 0.2479 0.6310 0.6310 1.1322 1.1322 1.6099 1.6099 2.2421 2.2421 2.3337 2.3337 2.8022 2.8022 3.1262 3.1262 3.5015 3.5015 3.7228 3.7228 4.1181 4.1181 4.4443 4.4443 4.5449 4.5449 5.1414 5.1414 5.5246 5.5246 5.5694 5.5694 6.1986 6.1986 6.3894 6.3894 6.4925 6.4925 6.9192 6.9192 7.1112 7.1112 11.3343 11.3343 11.9703 11.9703 12.5063 12.5063 15.1551 15.1551 16.3117 16.3117 16.6418 16.6419 k = 0.1742 0.3018 0.4865 ( 3734 PWs) bands (ev): -13.8832 -13.8832 -11.9525 -11.9525 -11.2213 -11.2213 -10.7630 -10.7630 -9.9033 -9.9033 -9.6635 -9.6635 -3.7035 -3.7035 -0.7311 -0.7311 0.2286 0.2286 0.6431 0.6431 1.1280 1.1280 1.6019 1.6019 2.2257 2.2257 2.3198 2.3198 2.7776 2.7776 3.1508 3.1508 3.4721 3.4721 3.7195 3.7195 4.1300 4.1300 4.3971 4.3971 4.6098 4.6098 5.1424 5.1424 5.5254 5.5254 5.5916 5.5916 6.1859 6.1859 6.4112 6.4112 6.5001 6.5001 6.9316 6.9316 7.1340 7.1340 11.3488 11.3488 11.9395 11.9395 12.5286 12.5286 15.1563 15.1563 16.2871 16.2871 16.6719 16.6719 k = 0.1667 0.2887 0.4865 ( 3726 PWs) bands (ev): -13.9168 -13.9168 -11.8945 -11.8945 -11.2115 -11.2115 -10.7837 -10.7837 -9.8860 -9.8860 -9.6656 -9.6656 -3.7831 -3.7831 -0.6744 -0.6744 0.2113 0.2113 0.6576 0.6576 1.1250 1.1250 1.5918 1.5918 2.1998 2.1998 2.3077 2.3077 2.7444 2.7444 3.1806 3.1806 3.4475 3.4475 3.7192 3.7192 4.1344 4.1344 4.3534 4.3534 4.6826 4.6826 5.1434 5.1434 5.5193 5.5193 5.6168 5.6168 6.1738 6.1738 6.4348 6.4348 6.5072 6.5072 6.9446 6.9446 7.1564 7.1564 11.3618 11.3618 11.9060 11.9060 12.5507 12.5507 15.1606 15.1606 16.2615 16.2615 16.6997 16.6997 k = 0.1591 0.2756 0.4865 ( 3730 PWs) bands (ev): -13.9493 -13.9493 -11.8369 -11.8369 -11.2016 -11.2016 -10.8040 -10.8040 -9.8694 -9.8694 -9.6677 -9.6677 -3.8617 -3.8617 -0.6185 -0.6185 0.1963 0.1963 0.6744 0.6744 1.1229 1.1229 1.5800 1.5800 2.1675 2.1675 2.2951 2.2951 2.7046 2.7046 3.2119 3.2119 3.4280 3.4280 3.7214 3.7214 4.1253 4.1253 4.3255 4.3255 4.7573 4.7573 5.1444 5.1444 5.5092 5.5092 5.6435 5.6435 6.1623 6.1623 6.4591 6.4591 6.5141 6.5141 6.9584 6.9584 7.1783 7.1783 11.3731 11.3731 11.8697 11.8697 12.5724 12.5724 15.1680 15.1680 16.2364 16.2364 16.7228 16.7228 k = 0.1515 0.2624 0.4865 ( 3730 PWs) bands (ev): -13.9805 -13.9805 -11.7798 -11.7798 -11.1918 -11.1918 -10.8236 -10.8236 -9.8535 -9.8535 -9.6700 -9.6700 -3.9393 -3.9393 -0.5637 -0.5637 0.1837 0.1837 0.6933 0.6933 1.1218 1.1218 1.5667 1.5667 2.1304 2.1304 2.2811 2.2811 2.6606 2.6606 3.2406 3.2406 3.4145 3.4145 3.7248 3.7248 4.0990 4.0990 4.3202 4.3202 4.8315 4.8315 5.1454 5.1454 5.4968 5.4968 5.6709 5.6709 6.1512 6.1512 6.4826 6.4826 6.5210 6.5210 6.9734 6.9734 7.1996 7.1996 11.3826 11.3826 11.8308 11.8308 12.5936 12.5936 15.1786 15.1786 16.2126 16.2126 16.7387 16.7387 k = 0.1439 0.2493 0.4865 ( 3724 PWs) bands (ev): -14.0105 -14.0105 -11.7233 -11.7233 -11.1821 -11.1821 -10.8425 -10.8425 -9.8382 -9.8382 -9.6723 -9.6723 -4.0154 -4.0154 -0.5098 -0.5098 0.1735 0.1735 0.7142 0.7142 1.1215 1.1215 1.5522 1.5522 2.0892 2.0892 2.2655 2.2655 2.6143 2.6143 3.2625 3.2625 3.4088 3.4088 3.7276 3.7276 4.0615 4.0615 4.3344 4.3344 4.9031 4.9031 5.1464 5.1464 5.4844 5.4844 5.6987 5.6987 6.1405 6.1405 6.5032 6.5032 6.5292 6.5292 6.9899 6.9899 7.2202 7.2202 11.3902 11.3902 11.7894 11.7894 12.6143 12.6143 15.1923 15.1923 16.1906 16.1906 16.7459 16.7459 k = 0.1364 0.2362 0.4865 ( 3716 PWs) bands (ev): -14.0391 -14.0391 -11.6677 -11.6677 -11.1726 -11.1726 -10.8609 -10.8609 -9.8238 -9.8238 -9.6747 -9.6747 -4.0899 -4.0899 -0.4569 -0.4569 0.1660 0.1660 0.7371 0.7371 1.1219 1.1219 1.5366 1.5366 2.0445 2.0445 2.2486 2.2486 2.5672 2.5672 3.2740 3.2740 3.4124 3.4124 3.7266 3.7266 4.0226 4.0226 4.3618 4.3618 4.9696 4.9696 5.1475 5.1475 5.4742 5.4742 5.7266 5.7266 6.1301 6.1301 6.5171 6.5171 6.5416 6.5416 7.0083 7.0083 7.2401 7.2401 11.3959 11.3959 11.7457 11.7457 12.6343 12.6343 15.2091 15.2091 16.1706 16.1706 16.7448 16.7448 k = 0.1288 0.2231 0.4865 ( 3716 PWs) bands (ev): -14.0664 -14.0664 -11.6131 -11.6131 -11.1632 -11.1632 -10.8784 -10.8784 -9.8101 -9.8101 -9.6771 -9.6771 -4.1625 -4.1625 -0.4051 -0.4051 0.1610 0.1610 0.7617 0.7617 1.1229 1.1229 1.5201 1.5201 1.9964 1.9964 2.2308 2.2308 2.5204 2.5204 3.2755 3.2755 3.4235 3.4235 3.7176 3.7176 3.9904 3.9904 4.3984 4.3984 5.0275 5.0275 5.1490 5.1490 5.4696 5.4696 5.7546 5.7546 6.1201 6.1201 6.5243 6.5243 6.5574 6.5574 7.0288 7.0288 7.2593 7.2593 11.3996 11.3996 11.6998 11.6998 12.6535 12.6535 15.2288 15.2288 16.1527 16.1527 16.7379 16.7379 k = 0.1212 0.2099 0.4865 ( 3714 PWs) bands (ev): -14.0923 -14.0923 -11.5597 -11.5597 -11.1541 -11.1541 -10.8953 -10.8953 -9.7972 -9.7972 -9.6796 -9.6796 -4.2329 -4.2329 -0.3545 -0.3545 0.1586 0.1586 0.7879 0.7879 1.1246 1.1246 1.5030 1.5030 1.9453 1.9453 2.2125 2.2125 2.4749 2.4749 3.2703 3.2703 3.4379 3.4379 3.6978 3.6978 3.9700 3.9700 4.4419 4.4419 5.0726 5.0726 5.1511 5.1511 5.4745 5.4745 5.7824 5.7824 6.1103 6.1103 6.5283 6.5283 6.5724 6.5724 7.0516 7.0516 7.2776 7.2776 11.4013 11.4013 11.6521 11.6521 12.6719 12.6719 15.2514 15.2514 16.1367 16.1367 16.7282 16.7282 k = 0.1136 0.1968 0.4865 ( 3718 PWs) bands (ev): -14.1168 -14.1168 -11.5078 -11.5078 -11.1452 -11.1452 -10.9113 -10.9113 -9.7852 -9.7852 -9.6820 -9.6820 -4.3010 -4.3010 -0.3052 -0.3052 0.1588 0.1588 0.8156 0.8156 1.1267 1.1267 1.4852 1.4852 1.8916 1.8916 2.1939 2.1939 2.4310 2.4310 3.2617 3.2617 3.4509 3.4509 3.6681 3.6681 3.9620 3.9620 4.4910 4.4910 5.1013 5.1013 5.1537 5.1537 5.4926 5.4926 5.8098 5.8098 6.1007 6.1007 6.5308 6.5308 6.5848 6.5848 7.0768 7.0768 7.2951 7.2951 11.4011 11.4011 11.6030 11.6030 12.6895 12.6895 15.2767 15.2767 16.1223 16.1223 16.7182 16.7182 k = 0.1061 0.1837 0.4865 ( 3718 PWs) bands (ev): -14.1399 -14.1399 -11.4575 -11.4575 -11.1366 -11.1366 -10.9265 -10.9265 -9.7741 -9.7741 -9.6845 -9.6845 -4.3664 -4.3664 -0.2572 -0.2572 0.1616 0.1616 0.8445 0.8445 1.1294 1.1294 1.4670 1.4670 1.8360 1.8360 2.1754 2.1754 2.3890 2.3890 3.2517 3.2517 3.4586 3.4586 3.6345 3.6345 3.9634 3.9634 4.5443 4.5443 5.1146 5.1146 5.1551 5.1551 5.5248 5.5248 5.8368 5.8368 6.0914 6.0914 6.5322 6.5322 6.5938 6.5938 7.1042 7.1042 7.3117 7.3117 11.3992 11.3992 11.5530 11.5530 12.7061 12.7061 15.3046 15.3046 16.1092 16.1092 16.7096 16.7096 k = 0.0985 0.1706 0.4865 ( 3710 PWs) bands (ev): -14.1615 -14.1615 -11.4092 -11.4092 -11.1282 -11.1282 -10.9409 -10.9409 -9.7639 -9.7639 -9.6869 -9.6869 -4.4288 -4.4288 -0.2107 -0.2107 0.1667 0.1667 0.8745 0.8745 1.1324 1.1324 1.4485 1.4485 1.7789 1.7789 2.1573 2.1573 2.3490 2.3490 3.2411 3.2411 3.4556 3.4556 3.6054 3.6054 3.9704 3.9704 4.6008 4.6008 5.1171 5.1171 5.1532 5.1532 5.5685 5.5685 5.8631 5.8631 6.0823 6.0823 6.5326 6.5326 6.5992 6.5992 7.1334 7.1334 7.3273 7.3273 11.3956 11.3956 11.5025 11.5025 12.7217 12.7217 15.3349 15.3349 16.0967 16.0967 16.7038 16.7038 k = 0.0909 0.1575 0.4865 ( 3714 PWs) bands (ev): -14.1815 -14.1815 -11.3631 -11.3631 -11.1203 -11.1203 -10.9543 -10.9543 -9.7546 -9.7546 -9.6893 -9.6893 -4.4881 -4.4881 -0.1660 -0.1660 0.1741 0.1741 0.9052 0.9052 1.1359 1.1359 1.4298 1.4298 1.7212 1.7212 2.1398 2.1398 2.3109 2.3109 3.2305 3.2305 3.4368 3.4368 3.5889 3.5889 3.9803 3.9803 4.6591 4.6591 5.1118 5.1118 5.1495 5.1495 5.6193 5.6193 5.8886 5.8886 6.0734 6.0734 6.5323 6.5323 6.6013 6.6013 7.1641 7.1641 7.3419 7.3419 11.3901 11.3901 11.4524 11.4524 12.7363 12.7363 15.3672 15.3672 16.0844 16.0844 16.7015 16.7015 k = 0.0833 0.1443 0.4865 ( 3700 PWs) bands (ev): -14.2001 -14.2001 -11.3194 -11.3194 -11.1127 -11.1127 -10.9669 -10.9669 -9.7461 -9.7461 -9.6915 -9.6915 -4.5438 -4.5438 -0.1231 -0.1231 0.1835 0.1835 0.9364 0.9364 1.1397 1.1397 1.4110 1.4110 1.6636 1.6636 2.1229 2.1229 2.2748 2.2748 3.2201 3.2201 3.4041 3.4041 3.5852 3.5852 3.9915 3.9915 4.7181 4.7181 5.1003 5.1003 5.1462 5.1462 5.6733 5.6733 5.9131 5.9131 6.0649 6.0649 6.5312 6.5312 6.6002 6.6002 7.1956 7.1956 7.3555 7.3555 11.3806 11.3806 11.4059 11.4059 12.7498 12.7498 15.4014 15.4014 16.0718 16.0718 16.7032 16.7032 k = 0.0758 0.1312 0.4865 ( 3700 PWs) bands (ev): -14.2171 -14.2171 -11.2785 -11.2785 -11.1054 -11.1054 -10.9786 -10.9786 -9.7386 -9.7386 -9.6937 -9.6937 -4.5958 -4.5958 -0.0824 -0.0824 0.1948 0.1948 0.9678 0.9678 1.1439 1.1439 1.3922 1.3922 1.6067 1.6067 2.1070 2.1070 2.2405 2.2405 3.2100 3.2100 3.3645 3.3645 3.5887 3.5887 4.0029 4.0029 4.7765 4.7765 5.0846 5.0846 5.1441 5.1441 5.7279 5.7279 5.9364 5.9364 6.0566 6.0566 6.5295 6.5295 6.5962 6.5962 7.2274 7.2274 7.3681 7.3681 11.3475 11.3475 11.3833 11.3833 12.7621 12.7621 15.4373 15.4373 16.0582 16.0582 16.7094 16.7094 k = 0.0682 0.1181 0.4865 ( 3704 PWs) bands (ev): -14.2325 -14.2325 -11.2405 -11.2405 -11.0986 -11.0986 -10.9893 -10.9893 -9.7319 -9.7319 -9.6957 -9.6957 -4.6437 -4.6437 -0.0441 -0.0441 0.2075 0.2075 0.9989 0.9989 1.1484 1.1484 1.3737 1.3737 1.5515 1.5515 2.0920 2.0920 2.2082 2.2082 3.2001 3.2001 3.3236 3.3236 3.5953 3.5953 4.0140 4.0140 4.8330 4.8330 5.0672 5.0672 5.1426 5.1426 5.7813 5.7813 5.9584 5.9584 6.0489 6.0489 6.5272 6.5272 6.5897 6.5897 7.2589 7.2589 7.3796 7.3796 11.3020 11.3020 11.3743 11.3743 12.7734 12.7734 15.4745 15.4745 16.0432 16.0432 16.7200 16.7200 k = 0.0606 0.1050 0.4865 ( 3708 PWs) bands (ev): -14.2464 -14.2464 -11.2058 -11.2058 -11.0920 -11.0920 -10.9991 -10.9991 -9.7261 -9.7261 -9.6976 -9.6976 -4.6874 -4.6874 -0.0084 -0.0084 0.2214 0.2214 1.0293 1.0293 1.1532 1.1532 1.3555 1.3555 1.4986 1.4986 2.0781 2.0781 2.1778 2.1778 3.1901 3.1901 3.2846 3.2846 3.6028 3.6028 4.0245 4.0245 4.8863 4.8863 5.0501 5.0501 5.1415 5.1415 5.8320 5.8320 5.9786 5.9786 6.0419 6.0419 6.5245 6.5245 6.5812 6.5812 7.2893 7.2893 7.3901 7.3901 11.2575 11.2575 11.3665 11.3665 12.7835 12.7835 15.5126 15.5126 16.0265 16.0265 16.7350 16.7350 k = 0.0530 0.0919 0.4865 ( 3706 PWs) bands (ev): -14.2587 -14.2587 -11.1748 -11.1748 -11.0858 -11.0858 -11.0080 -11.0080 -9.7212 -9.7212 -9.6993 -9.6993 -4.7266 -4.7266 0.0242 0.0242 0.2360 0.2360 1.0585 1.0585 1.1585 1.1585 1.3378 1.3378 1.4489 1.4489 2.0653 2.0653 2.1496 2.1496 3.1789 3.1789 3.2503 3.2503 3.6103 3.6103 4.0342 4.0342 4.9340 4.9340 5.0355 5.0355 5.1406 5.1406 5.8791 5.8791 5.9965 5.9965 6.0361 6.0361 6.5214 6.5214 6.5712 6.5712 7.3179 7.3179 7.3995 7.3995 11.2160 11.2160 11.3590 11.3590 12.7924 12.7924 15.5516 15.5516 16.0079 16.0079 16.7539 16.7539 k = 0.0455 0.0787 0.4865 ( 3702 PWs) bands (ev): -14.2693 -14.2693 -11.1476 -11.1476 -11.0797 -11.0797 -11.0159 -11.0159 -9.7171 -9.7171 -9.7007 -9.7007 -4.7610 -4.7610 0.0534 0.0534 0.2507 0.2507 1.0858 1.0858 1.1642 1.1642 1.3207 1.3207 1.4034 1.4034 2.0537 2.0537 2.1241 2.1241 3.1652 3.1652 3.2231 3.2231 3.6173 3.6173 4.0428 4.0428 4.9694 4.9694 5.0301 5.0301 5.1399 5.1399 5.9215 5.9215 6.0107 6.0107 6.0335 6.0335 6.5180 6.5180 6.5603 6.5603 7.3442 7.3442 7.4079 7.4079 11.1782 11.1782 11.3519 11.3519 12.8002 12.8002 15.5909 15.5909 15.9872 15.9872 16.7761 16.7761 k = 0.0379 0.0656 0.4865 ( 3698 PWs) bands (ev): -14.2784 -14.2784 -11.1249 -11.1249 -11.0736 -11.0736 -11.0229 -11.0229 -9.7137 -9.7137 -9.7019 -9.7019 -4.7905 -4.7905 0.0790 0.0790 0.2650 0.2650 1.1104 1.1104 1.1705 1.1705 1.3040 1.3040 1.3632 1.3632 2.0433 2.0433 2.1016 2.1016 3.1480 3.1480 3.2046 3.2046 3.6235 3.6235 4.0504 4.0504 4.9788 4.9788 5.0470 5.0470 5.1392 5.1392 5.9572 5.9572 6.0178 6.0178 6.0382 6.0382 6.5145 6.5145 6.5492 6.5492 7.3673 7.3673 7.4154 7.4154 11.1448 11.1448 11.3455 11.3455 12.8067 12.8067 15.6302 15.6302 15.9644 15.9644 16.8007 16.8007 k = 0.0303 0.0525 0.4865 ( 3690 PWs) bands (ev): -14.2858 -14.2858 -11.1069 -11.1069 -11.0674 -11.0674 -11.0290 -11.0290 -9.7112 -9.7112 -9.7028 -9.7028 -4.8149 -4.8149 0.1004 0.1004 0.2781 0.2781 1.1317 1.1317 1.1775 1.1775 1.2875 1.2875 1.3297 1.3297 2.0339 2.0339 2.0827 2.0827 3.1294 3.1294 3.1935 3.1935 3.6288 3.6288 4.0567 4.0567 4.9728 4.9728 5.0753 5.0753 5.1388 5.1388 5.9820 5.9820 6.0239 6.0239 6.0481 6.0481 6.5107 6.5107 6.5388 6.5388 7.3866 7.3866 7.4222 7.4222 11.1165 11.1165 11.3399 11.3399 12.8121 12.8121 15.6692 15.6692 15.9393 15.9393 16.8264 16.8264 k = 0.0227 0.0394 0.4865 ( 3682 PWs) bands (ev): -14.2915 -14.2915 -11.0939 -11.0939 -11.0609 -11.0609 -11.0341 -11.0341 -9.7095 -9.7095 -9.7032 -9.7032 -4.8340 -4.8340 0.1175 0.1175 0.2894 0.2894 1.1487 1.1487 1.1850 1.1850 1.2706 1.2706 1.3046 1.3046 2.0258 2.0258 2.0680 2.0680 3.1126 3.1126 3.1866 3.1866 3.6329 3.6329 4.0618 4.0618 4.9648 4.9648 5.1012 5.1012 5.1385 5.1385 5.9916 5.9916 6.0376 6.0376 6.0577 6.0577 6.5067 6.5067 6.5301 6.5301 7.4011 7.4011 7.4285 7.4285 11.0938 11.0938 11.3353 11.3353 12.8163 12.8163 15.7076 15.7076 15.9122 15.9122 16.8515 16.8515 k = 0.0152 0.0262 0.4865 ( 3690 PWs) bands (ev): -14.2957 -14.2957 -11.0855 -11.0855 -11.0548 -11.0548 -11.0383 -11.0383 -9.7086 -9.7086 -9.7032 -9.7032 -4.8477 -4.8477 0.1299 0.1299 0.2980 0.2980 1.1613 1.1613 1.1922 1.1922 1.2545 1.2545 1.2882 1.2882 2.0192 2.0192 2.0577 2.0577 3.0998 3.0998 3.1825 3.1825 3.6360 3.6360 4.0654 4.0654 4.9583 4.9583 5.1204 5.1204 5.1386 5.1386 5.9930 5.9930 6.0523 6.0523 6.0659 6.0659 6.5028 6.5028 6.5239 6.5239 7.4106 7.4106 7.4341 7.4341 11.0773 11.0773 11.3320 11.3320 12.8193 12.8193 15.7448 15.7448 15.8832 15.8832 16.8731 16.8731 k = 0.0076 0.0131 0.4865 ( 3682 PWs) bands (ev): -14.2981 -14.2981 -11.0809 -11.0809 -11.0501 -11.0501 -11.0413 -11.0413 -9.7083 -9.7083 -9.7031 -9.7031 -4.8560 -4.8560 0.1374 0.1374 0.3035 0.3035 1.1695 1.1695 1.1974 1.1974 1.2427 1.2427 1.2790 1.2790 2.0148 2.0148 2.0517 2.0517 3.0918 3.0918 3.1802 3.1802 3.6378 3.6378 4.0676 4.0676 4.9541 4.9541 5.1313 5.1313 5.1398 5.1398 5.9926 5.9926 6.0612 6.0612 6.0724 6.0724 6.4997 6.4997 6.5204 6.5204 7.4157 7.4157 7.4383 7.4383 11.0672 11.0672 11.3299 11.3299 12.8211 12.8211 15.7801 15.7801 15.8529 15.8529 16.8877 16.8878 k = 0.0000 0.0000 0.4865 ( 3680 PWs) bands (ev): -14.2990 -14.2990 -11.0794 -11.0794 -11.0481 -11.0481 -11.0427 -11.0427 -9.7082 -9.7082 -9.7030 -9.7030 -4.8588 -4.8588 0.1399 0.1399 0.3054 0.3054 1.1725 1.1725 1.1992 1.1992 1.2383 1.2383 1.2760 1.2760 2.0132 2.0132 2.0498 2.0498 3.0891 3.0891 3.1794 3.1794 3.6384 3.6384 4.0684 4.0684 4.9527 4.9527 5.1339 5.1339 5.1412 5.1412 5.9923 5.9923 6.0638 6.0638 6.0751 6.0751 6.4985 6.4985 6.5193 6.5193 7.4172 7.4172 7.4399 7.4399 11.0638 11.0638 11.3292 11.3292 12.8217 12.8217 15.8047 15.8047 15.8300 15.8300 16.8927 16.8927 k = 0.5000 0.2887 0.4865 ( 3728 PWs) bands (ev): -13.4796 -13.4796 -12.5683 -12.5683 -11.2636 -11.2636 -10.5242 -10.5242 -10.0911 -10.0911 -9.6853 -9.6853 -2.9441 -2.9441 -1.2715 -1.2715 0.1293 0.1293 1.1028 1.1028 1.3599 1.3599 1.4213 1.4213 2.1090 2.1090 2.2383 2.2383 2.6957 2.6957 3.3181 3.3181 3.6831 3.6831 3.8097 3.8097 3.9415 3.9415 4.4329 4.4329 5.0034 5.0034 5.0757 5.0757 5.0940 5.0940 5.4165 5.4165 6.2751 6.2751 6.4203 6.4203 6.4316 6.4316 6.6783 6.6783 6.9552 6.9552 11.2315 11.2315 12.1501 12.1501 12.3791 12.3791 15.2406 15.2406 16.4524 16.4524 16.5990 16.5990 k = 0.5000 0.2887 0.4712 ( 3724 PWs) bands (ev): -13.4797 -13.4797 -12.5685 -12.5685 -11.2636 -11.2636 -10.5240 -10.5240 -10.0908 -10.0908 -9.6853 -9.6853 -2.9443 -2.9443 -1.2711 -1.2711 0.1303 0.1303 1.1036 1.1036 1.3581 1.3581 1.4230 1.4230 2.0934 2.0934 2.2514 2.2514 2.6953 2.6953 3.3200 3.3200 3.6823 3.6823 3.8117 3.8117 3.9410 3.9410 4.4270 4.4270 4.9871 4.9871 5.0561 5.0561 5.1332 5.1332 5.4150 5.4150 6.2745 6.2745 6.4184 6.4184 6.4343 6.4343 6.6807 6.6807 6.9555 6.9555 11.2310 11.2310 12.1517 12.1517 12.3786 12.3786 15.2406 15.2406 16.4398 16.4398 16.6114 16.6114 k = 0.5000 0.2887 0.4560 ( 3726 PWs) bands (ev): -13.4800 -13.4800 -12.5690 -12.5690 -11.2637 -11.2637 -10.5236 -10.5236 -10.0898 -10.0898 -9.6853 -9.6853 -2.9449 -2.9449 -1.2701 -1.2701 0.1332 0.1332 1.1057 1.1057 1.3532 1.3532 1.4279 1.4279 2.0577 2.0577 2.2798 2.2798 2.6941 2.6941 3.3257 3.3257 3.6801 3.6801 3.8173 3.8173 3.9394 3.9394 4.4100 4.4100 4.9534 4.9534 5.0402 5.0402 5.1917 5.1917 5.4107 5.4107 6.2730 6.2730 6.4129 6.4129 6.4421 6.4421 6.6875 6.6875 6.9565 6.9565 11.2295 11.2295 12.1563 12.1563 12.3772 12.3772 15.2405 15.2405 16.4104 16.4104 16.6403 16.6403 k = 0.5000 0.2887 0.4408 ( 3726 PWs) bands (ev): -13.4804 -13.4804 -12.5697 -12.5697 -11.2638 -11.2638 -10.5228 -10.5228 -10.0883 -10.0883 -9.6854 -9.6854 -2.9459 -2.9459 -1.2683 -1.2683 0.1381 0.1381 1.1093 1.1093 1.3463 1.3463 1.4347 1.4347 2.0141 2.0141 2.3114 2.3114 2.6919 2.6919 3.3350 3.3350 3.6772 3.6772 3.8257 3.8257 3.9369 3.9369 4.3838 4.3838 4.9180 4.9180 5.0234 5.0234 5.2566 5.2566 5.4048 5.4048 6.2706 6.2706 6.4042 6.4042 6.4544 6.4544 6.6983 6.6983 6.9581 6.9581 11.2272 11.2272 12.1639 12.1639 12.3747 12.3747 15.2403 15.2403 16.3739 16.3739 16.6755 16.6755 k = 0.5000 0.2887 0.4256 ( 3726 PWs) bands (ev): -13.4809 -13.4809 -12.5708 -12.5708 -11.2639 -11.2639 -10.5217 -10.5217 -10.0861 -10.0861 -9.6856 -9.6856 -2.9473 -2.9473 -1.2659 -1.2659 0.1448 0.1448 1.1142 1.1142 1.3381 1.3381 1.4426 1.4426 1.9672 1.9672 2.3417 2.3417 2.6885 2.6885 3.3478 3.3478 3.6743 3.6743 3.8353 3.8353 3.9339 3.9339 4.3513 4.3513 4.8839 4.8839 5.0031 5.0031 5.3228 5.3228 5.4006 5.4006 6.2675 6.2675 6.3932 6.3932 6.4698 6.4698 6.7123 6.7123 6.9604 6.9604 11.2243 11.2243 12.1742 12.1742 12.3713 12.3713 15.2399 15.2399 16.3349 16.3349 16.7117 16.7117 k = 0.5000 0.2887 0.4104 ( 3726 PWs) bands (ev): -13.4816 -13.4816 -12.5722 -12.5722 -11.2641 -11.2641 -10.5203 -10.5203 -10.0833 -10.0833 -9.6857 -9.6857 -2.9490 -2.9490 -1.2627 -1.2627 0.1534 0.1534 1.1204 1.1204 1.3293 1.3293 1.4513 1.4513 1.9192 1.9192 2.3687 2.3687 2.6837 2.6837 3.3634 3.3634 3.6723 3.6723 3.8439 3.8439 3.9316 3.9316 4.3156 4.3156 4.8502 4.8502 4.9799 4.9799 5.3667 5.3667 5.4211 5.4211 6.2638 6.2638 6.3808 6.3808 6.4870 6.4870 6.7287 6.7287 6.9635 6.9635 11.2212 11.2212 12.1870 12.1870 12.3670 12.3670 15.2394 15.2394 16.2952 16.2952 16.7459 16.7459 k = 0.5000 0.2887 0.3952 ( 3726 PWs) bands (ev): -13.4824 -13.4824 -12.5738 -12.5738 -11.2643 -11.2643 -10.5186 -10.5186 -10.0799 -10.0799 -9.6859 -9.6859 -2.9511 -2.9511 -1.2590 -1.2590 0.1638 0.1638 1.1275 1.1275 1.3202 1.3202 1.4602 1.4602 1.8711 1.8711 2.3918 2.3918 2.6773 2.6773 3.3808 3.3808 3.6724 3.6724 3.8477 3.8477 3.9323 3.9323 4.2798 4.2798 4.8152 4.8152 4.9553 4.9553 5.3680 5.3680 5.4857 5.4857 6.2597 6.2597 6.3676 6.3676 6.5046 6.5046 6.7470 6.7470 6.9672 6.9672 11.2182 11.2182 12.2019 12.2019 12.3617 12.3617 15.2386 15.2386 16.2555 16.2555 16.7755 16.7755 k = 0.5000 0.2887 0.3800 ( 3728 PWs) bands (ev): -13.4834 -13.4834 -12.5757 -12.5757 -11.2646 -11.2646 -10.5167 -10.5167 -10.0761 -10.0761 -9.6862 -9.6862 -2.9535 -2.9535 -1.2546 -1.2546 0.1760 0.1760 1.1356 1.1356 1.3109 1.3109 1.4693 1.4693 1.8240 1.8240 2.4103 2.4103 2.6692 2.6692 3.3982 3.3982 3.6756 3.6756 3.8436 3.8436 3.9385 3.9385 4.2464 4.2464 4.7777 4.7777 4.9307 4.9307 5.3616 5.3616 5.5587 5.5587 6.2552 6.2552 6.3546 6.3546 6.5215 6.5215 6.7667 6.7667 6.9717 6.9717 11.2158 11.2158 12.2186 12.2186 12.3556 12.3556 15.2375 15.2375 16.2163 16.2163 16.7972 16.7972 k = 0.5000 0.2887 0.3648 ( 3724 PWs) bands (ev): -13.4845 -13.4845 -12.5778 -12.5778 -11.2649 -11.2649 -10.5145 -10.5145 -10.0717 -10.0717 -9.6864 -9.6864 -2.9563 -2.9563 -1.2496 -1.2496 0.1898 0.1898 1.1440 1.1440 1.3017 1.3017 1.4783 1.4783 1.7786 1.7786 2.4241 2.4241 2.6596 2.6596 3.4134 3.4134 3.6836 3.6836 3.8310 3.8310 3.9499 3.9499 4.2173 4.2173 4.7374 4.7374 4.9074 4.9074 5.3547 5.3547 5.6320 5.6320 6.2503 6.2503 6.3422 6.3422 6.5366 6.5366 6.7875 6.7875 6.9766 6.9766 11.2144 11.2144 12.2368 12.2368 12.3486 12.3486 15.2360 15.2360 16.1777 16.1777 16.8070 16.8070 k = 0.5000 0.2887 0.3496 ( 3720 PWs) bands (ev): -13.4857 -13.4857 -12.5801 -12.5801 -11.2652 -11.2652 -10.5121 -10.5121 -10.0669 -10.0669 -9.6867 -9.6867 -2.9593 -2.9593 -1.2441 -1.2441 0.2051 0.2051 1.1525 1.1525 1.2929 1.2929 1.4872 1.4872 1.7357 1.7357 2.4329 2.4329 2.6487 2.6487 3.4237 3.4237 3.6972 3.6972 3.8126 3.8126 3.9642 3.9642 4.1934 4.1934 4.6954 4.6954 4.8856 4.8856 5.3482 5.3482 5.7036 5.7036 6.2451 6.2451 6.3315 6.3315 6.5493 6.5493 6.8093 6.8093 6.9817 6.9817 11.2142 11.2142 12.2560 12.2560 12.3409 12.3409 15.2340 15.2340 16.1400 16.1400 16.8015 16.8015 k = 0.5000 0.2887 0.3344 ( 3720 PWs) bands (ev): -13.4870 -13.4870 -12.5826 -12.5826 -11.2656 -11.2656 -10.5095 -10.5095 -10.0617 -10.0617 -9.6871 -9.6871 -2.9625 -2.9625 -1.2380 -1.2380 0.2219 0.2219 1.1603 1.1603 1.2846 1.2846 1.4956 1.4956 1.6965 1.6965 2.4363 2.4363 2.6371 2.6371 3.4274 3.4274 3.7153 3.7153 3.7926 3.7926 3.9787 3.9787 4.1749 4.1749 4.6539 4.6539 4.8652 4.8652 5.3422 5.3422 5.7719 5.7719 6.2397 6.2397 6.3234 6.3234 6.5591 6.5591 6.8320 6.8320 6.9866 6.9866 11.2157 11.2157 12.2760 12.2760 12.3326 12.3326 15.2314 15.2314 16.1030 16.1030 16.7807 16.7807 k = 0.5000 0.2887 0.3192 ( 3726 PWs) bands (ev): -13.4883 -13.4883 -12.5853 -12.5853 -11.2660 -11.2660 -10.5067 -10.5067 -10.0561 -10.0561 -9.6874 -9.6874 -2.9660 -2.9660 -1.2315 -1.2315 0.2400 0.2400 1.1662 1.1662 1.2773 1.2773 1.5033 1.5033 1.6620 1.6620 2.4341 2.4341 2.6253 2.6253 3.4237 3.4237 3.7287 3.7287 3.7815 3.7815 3.9915 3.9915 4.1613 4.1613 4.6155 4.6155 4.8458 4.8458 5.3368 5.3368 5.8350 5.8350 6.2342 6.2342 6.3189 6.3189 6.5658 6.5658 6.8556 6.8556 6.9907 6.9907 11.2190 11.2190 12.2958 12.2958 12.3241 12.3241 15.2281 15.2281 16.0669 16.0669 16.7484 16.7485 k = 0.5000 0.2887 0.3040 ( 3734 PWs) bands (ev): -13.4898 -13.4898 -12.5881 -12.5881 -11.2664 -11.2664 -10.5038 -10.5038 -10.0502 -10.0502 -9.6878 -9.6878 -2.9697 -2.9697 -1.2245 -1.2245 0.2594 0.2594 1.1691 1.1691 1.2717 1.2717 1.5095 1.5095 1.6341 1.6341 2.4259 2.4259 2.6141 2.6141 3.4130 3.4130 3.7194 3.7194 3.7967 3.7967 4.0012 4.0012 4.1520 4.1520 4.5836 4.5836 4.8271 4.8271 5.3319 5.3319 5.8911 5.8911 6.2286 6.2286 6.3197 6.3197 6.5693 6.5693 6.8802 6.8802 6.9935 6.9935 11.2245 11.2245 12.3081 12.3081 12.3229 12.3229 15.2239 15.2239 16.0317 16.0317 16.7095 16.7095 k = 0.5000 0.2887 0.2888 ( 3734 PWs) bands (ev): -13.4913 -13.4913 -12.5910 -12.5910 -11.2668 -11.2668 -10.5008 -10.5008 -10.0441 -10.0441 -9.6882 -9.6882 -2.9735 -2.9735 -1.2172 -1.2172 0.2798 0.2798 1.1676 1.1676 1.2682 1.2682 1.5133 1.5133 1.6145 1.6145 2.4118 2.4118 2.6036 2.6036 3.3963 3.3963 3.6984 3.6984 3.8244 3.8244 4.0074 4.0074 4.1463 4.1463 4.5611 4.5611 4.8088 4.8088 5.3276 5.3276 5.9380 5.9380 6.2232 6.2232 6.3272 6.3272 6.5697 6.5697 6.9057 6.9057 6.9947 6.9947 11.2323 11.2323 12.3008 12.3008 12.3410 12.3410 15.2189 15.2189 15.9973 15.9973 16.6673 16.6673 k = 0.5000 0.2887 0.2736 ( 3730 PWs) bands (ev): -13.4928 -13.4928 -12.5940 -12.5940 -11.2672 -11.2672 -10.4976 -10.4976 -10.0378 -10.0378 -9.6886 -9.6886 -2.9774 -2.9774 -1.2096 -1.2096 0.3011 0.3011 1.1609 1.1609 1.2668 1.2668 1.5142 1.5142 1.6051 1.6051 2.3921 2.3921 2.5939 2.5939 3.3751 3.3751 3.6752 3.6752 3.8498 3.8498 4.0127 4.0127 4.1436 4.1436 4.5505 4.5505 4.7908 4.7908 5.3238 5.3238 5.9740 5.9740 6.2182 6.2182 6.3425 6.3425 6.5674 6.5674 6.9315 6.9315 6.9942 6.9942 11.2424 11.2424 12.2903 12.2903 12.3615 12.3615 15.2129 15.2129 15.9638 15.9638 16.6240 16.6240 k = 0.5000 0.2887 0.2584 ( 3722 PWs) bands (ev): -13.4944 -13.4944 -12.5970 -12.5970 -11.2676 -11.2676 -10.4944 -10.4944 -10.0314 -10.0314 -9.6890 -9.6890 -2.9814 -2.9814 -1.2017 -1.2017 0.3232 0.3232 1.1494 1.1494 1.2666 1.2666 1.5134 1.5134 1.6052 1.6052 2.3676 2.3676 2.5847 2.5847 3.3504 3.3504 3.6515 3.6515 3.8638 3.8638 4.0228 4.0228 4.1434 4.1434 4.5526 4.5526 4.7729 4.7729 5.3206 5.3206 5.9988 5.9988 6.2138 6.2138 6.3657 6.3657 6.5625 6.5625 6.9551 6.9551 6.9946 6.9946 11.2548 11.2548 12.2791 12.2791 12.3822 12.3822 15.2058 15.2058 15.9313 15.9313 16.5809 16.5809 k = 0.5000 0.2887 0.2432 ( 3728 PWs) bands (ev): -13.4960 -13.4960 -12.6001 -12.6001 -11.2681 -11.2681 -10.4912 -10.4912 -10.0249 -10.0249 -9.6895 -9.6895 -2.9854 -2.9854 -1.1936 -1.1936 0.3458 0.3458 1.1338 1.1338 1.2665 1.2665 1.5135 1.5135 1.6126 1.6126 2.3391 2.3391 2.5755 2.5755 3.3236 3.3236 3.6268 3.6268 3.8620 3.8620 4.0419 4.0419 4.1459 4.1459 4.5667 4.5667 4.7552 4.7552 5.3180 5.3180 6.0133 6.0133 6.2100 6.2100 6.3951 6.3951 6.5555 6.5555 6.9648 6.9648 7.0069 7.0069 11.2693 11.2693 12.2675 12.2675 12.4025 12.4025 15.1976 15.1976 15.8996 15.8996 16.5389 16.5389 k = 0.5000 0.2887 0.2280 ( 3728 PWs) bands (ev): -13.4976 -13.4976 -12.6031 -12.6031 -11.2685 -11.2685 -10.4880 -10.4880 -10.0184 -10.0184 -9.6900 -9.6900 -2.9895 -2.9895 -1.1854 -1.1854 0.3688 0.3688 1.1150 1.1150 1.2660 1.2660 1.5163 1.5163 1.6254 1.6254 2.3074 2.3074 2.5659 2.5659 3.2953 3.2953 3.6000 3.6000 3.8484 3.8484 4.0670 4.0670 4.1521 4.1521 4.5907 4.5907 4.7380 4.7380 5.3162 5.3162 6.0199 6.0199 6.2068 6.2068 6.4283 6.4283 6.5468 6.5468 6.9579 6.9579 7.0337 7.0337 11.2858 11.2858 12.2557 12.2557 12.4224 12.4224 15.1883 15.1883 15.8689 15.8689 16.4984 16.4984 k = 0.5000 0.2887 0.2128 ( 3730 PWs) bands (ev): -13.4992 -13.4992 -12.6061 -12.6061 -11.2689 -11.2689 -10.4848 -10.4848 -10.0120 -10.0120 -9.6904 -9.6904 -2.9934 -2.9934 -1.1773 -1.1773 0.3920 0.3920 1.0942 1.0942 1.2649 1.2649 1.5224 1.5224 1.6422 1.6422 2.2733 2.2733 2.5556 2.5556 3.2661 3.2661 3.5702 3.5702 3.8298 3.8298 4.0911 4.0911 4.1644 4.1644 4.6217 4.6217 4.7219 4.7219 5.3153 5.3153 6.0209 6.0209 6.2043 6.2043 6.4627 6.4627 6.5367 6.5367 6.9437 6.9437 7.0654 7.0654 11.3041 11.3041 12.2437 12.2437 12.4417 12.4417 15.1778 15.1778 15.8393 15.8393 16.4599 16.4599 k = 0.5000 0.2887 0.1976 ( 3722 PWs) bands (ev): -13.5007 -13.5007 -12.6090 -12.6090 -11.2694 -11.2694 -10.4816 -10.4816 -10.0057 -10.0057 -9.6909 -9.6909 -2.9973 -2.9973 -1.1691 -1.1691 0.4151 0.4151 1.0721 1.0721 1.2633 1.2633 1.5311 1.5311 1.6626 1.6626 2.2375 2.2375 2.5441 2.5441 3.2362 3.2362 3.5370 3.5370 3.8113 3.8113 4.1085 4.1085 4.1850 4.1850 4.6541 4.6541 4.7102 4.7102 5.3157 5.3157 6.0182 6.0182 6.2023 6.2023 6.4956 6.4956 6.5265 6.5265 6.9249 6.9249 7.0992 7.0992 11.3237 11.3237 12.2317 12.2317 12.4603 12.4603 15.1663 15.1663 15.8109 15.8109 16.4238 16.4238 k = 0.5000 0.2887 0.1824 ( 3716 PWs) bands (ev): -13.5022 -13.5022 -12.6119 -12.6119 -11.2698 -11.2698 -10.4786 -10.4786 -9.9995 -9.9995 -9.6913 -9.6913 -3.0011 -3.0011 -1.1611 -1.1611 0.4380 0.4380 1.0495 1.0495 1.2614 1.2614 1.5419 1.5419 1.6864 1.6864 2.2008 2.2008 2.5314 2.5314 3.2055 3.2055 3.5013 3.5013 3.7956 3.7956 4.1191 4.1191 4.2124 4.2124 4.6680 4.6680 4.7207 4.7207 5.3176 5.3176 6.0133 6.0133 6.2008 6.2008 6.5096 6.5096 6.5327 6.5327 6.9022 6.9022 7.1339 7.1339 11.3444 11.3444 12.2199 12.2199 12.4782 12.4782 15.1540 15.1540 15.7837 15.7837 16.3901 16.3901 k = 0.5000 0.2887 0.1672 ( 3716 PWs) bands (ev): -13.5036 -13.5036 -12.6146 -12.6146 -11.2702 -11.2702 -10.4757 -10.4757 -9.9937 -9.9937 -9.6918 -9.6918 -3.0047 -3.0047 -1.1534 -1.1534 0.4603 0.4603 1.0270 1.0270 1.2595 1.2595 1.5540 1.5540 1.7133 1.7133 2.1637 2.1637 2.5172 2.5172 3.1739 3.1739 3.4644 3.4644 3.7836 3.7836 4.1259 4.1259 4.2424 4.2424 4.6582 4.6582 4.7569 4.7569 5.3216 5.3216 6.0072 6.0072 6.1996 6.1996 6.4993 6.4993 6.5604 6.5604 6.8762 6.8762 7.1690 7.1690 11.3657 11.3657 12.2083 12.2083 12.4952 12.4952 15.1409 15.1409 15.7578 15.7578 16.3590 16.3590 k = 0.5000 0.2887 0.1520 ( 3722 PWs) bands (ev): -13.5050 -13.5050 -12.6171 -12.6171 -11.2706 -11.2706 -10.4729 -10.4729 -9.9881 -9.9881 -9.6922 -9.6922 -3.0082 -3.0082 -1.1459 -1.1459 0.4820 0.4820 1.0052 1.0052 1.2578 1.2578 1.5669 1.5669 1.7427 1.7427 2.1272 2.1272 2.5014 2.5014 3.1411 3.1411 3.4282 3.4282 3.7750 3.7750 4.1307 4.1307 4.2726 4.2726 4.6436 4.6436 4.7981 4.7981 5.3281 5.3281 6.0005 6.0005 6.1987 6.1987 6.4877 6.4877 6.5866 6.5866 6.8472 6.8472 7.2038 7.2038 11.3872 11.3872 12.1971 12.1971 12.5112 12.5112 15.1273 15.1273 15.7334 15.7334 16.3307 16.3307 k = 0.5000 0.2887 0.1368 ( 3718 PWs) bands (ev): -13.5062 -13.5062 -12.6195 -12.6195 -11.2709 -11.2709 -10.4703 -10.4703 -9.9828 -9.9828 -9.6927 -9.6927 -3.0114 -3.0114 -1.1388 -1.1388 0.5027 0.5027 0.9845 0.9845 1.2564 1.2564 1.5805 1.5805 1.7739 1.7739 2.0920 2.0920 2.4837 2.4837 3.1071 3.1071 3.3944 3.3944 3.7694 3.7694 4.1346 4.1346 4.3017 4.3017 4.6285 4.6285 4.8383 4.8383 5.3377 5.3377 5.9936 5.9936 6.1977 6.1977 6.4767 6.4767 6.6098 6.6098 6.8159 6.8159 7.2376 7.2376 11.4084 11.4084 12.1865 12.1865 12.5262 12.5262 15.1136 15.1136 15.7106 15.7106 16.3052 16.3052 k = 0.5000 0.2887 0.1216 ( 3728 PWs) bands (ev): -13.5074 -13.5074 -12.6217 -12.6217 -11.2712 -11.2712 -10.4680 -10.4680 -9.9780 -9.9780 -9.6930 -9.6930 -3.0144 -3.0144 -1.1322 -1.1322 0.5221 0.5221 0.9652 0.9652 1.2552 1.2552 1.5947 1.5947 1.8055 1.8055 2.0597 2.0597 2.4640 2.4640 3.0722 3.0722 3.3643 3.3643 3.7661 3.7661 4.1379 4.1379 4.3290 4.3290 4.6137 4.6137 4.8753 4.8753 5.3506 5.3506 5.9869 5.9869 6.1964 6.1964 6.4673 6.4673 6.6298 6.6298 6.7829 6.7829 7.2697 7.2697 11.4288 11.4288 12.1764 12.1764 12.5401 12.5401 15.0999 15.0999 15.6896 15.6896 16.2826 16.2826 k = 0.5000 0.2887 0.1064 ( 3730 PWs) bands (ev): -13.5085 -13.5085 -12.6237 -12.6237 -11.2715 -11.2715 -10.4658 -10.4658 -9.9736 -9.9736 -9.6934 -9.6934 -3.0171 -3.0171 -1.1262 -1.1262 0.5401 0.5401 0.9475 0.9475 1.2543 1.2543 1.6095 1.6095 1.8349 1.8349 2.0329 2.0329 2.4421 2.4421 3.0371 3.0371 3.3386 3.3386 3.7646 3.7646 4.1407 4.1407 4.3542 4.3542 4.5997 4.5997 4.9077 4.9077 5.3670 5.3670 5.9807 5.9807 6.1944 6.1944 6.4600 6.4600 6.6462 6.6462 6.7492 6.7492 7.2996 7.2996 11.4481 11.4481 12.1672 12.1672 12.5528 12.5528 15.0867 15.0867 15.6705 15.6705 16.2628 16.2628 k = 0.5000 0.2887 0.0912 ( 3728 PWs) bands (ev): -13.5094 -13.5094 -12.6255 -12.6255 -11.2718 -11.2718 -10.4639 -10.4639 -9.9697 -9.9697 -9.6937 -9.6937 -3.0195 -3.0195 -1.1208 -1.1208 0.5564 0.5564 0.9317 0.9317 1.2537 1.2537 1.6249 1.6249 1.8565 1.8565 2.0169 2.0169 2.4177 2.4177 3.0031 3.0031 3.3172 3.3172 3.7642 3.7642 4.1432 4.1432 4.3769 4.3769 4.5867 4.5867 4.9346 4.9346 5.3864 5.3864 5.9750 5.9750 6.1917 6.1917 6.4558 6.4558 6.6575 6.6575 6.7171 6.7171 7.3267 7.3267 11.4657 11.4657 12.1590 12.1590 12.5641 12.5641 15.0744 15.0744 15.6536 15.6536 16.2458 16.2458 k = 0.5000 0.2887 0.0760 ( 3732 PWs) bands (ev): -13.5102 -13.5102 -12.6270 -12.6270 -11.2720 -11.2720 -10.4623 -10.4623 -9.9663 -9.9663 -9.6940 -9.6940 -3.0215 -3.0215 -1.1161 -1.1161 0.5708 0.5708 0.9180 0.9180 1.2532 1.2532 1.6410 1.6410 1.8630 1.8630 2.0189 2.0189 2.3907 2.3907 2.9716 2.9716 3.3000 3.3000 3.7646 3.7646 4.1453 4.1453 4.3970 4.3970 4.5750 4.5750 4.9559 4.9559 5.4077 5.4077 5.9701 5.9701 6.1879 6.1879 6.4553 6.4553 6.6556 6.6556 6.6957 6.6957 7.3504 7.3504 11.4813 11.4813 12.1517 12.1517 12.5739 12.5739 15.0632 15.0632 15.6388 15.6388 16.2316 16.2316 k = 0.5000 0.2887 0.0608 ( 3732 PWs) bands (ev): -13.5109 -13.5109 -12.6283 -12.6283 -11.2722 -11.2722 -10.4609 -10.4609 -9.9635 -9.9635 -9.6943 -9.6943 -3.0232 -3.0232 -1.1122 -1.1122 0.5829 0.5829 0.9065 0.9065 1.2530 1.2530 1.6577 1.6577 1.8536 1.8536 2.0397 2.0397 2.3611 2.3611 2.9439 2.9439 3.2866 3.2866 3.7655 3.7655 4.1470 4.1470 4.4141 4.4141 4.5647 4.5647 4.9720 4.9720 5.4293 5.4293 5.9660 5.9660 6.1834 6.1834 6.4590 6.4590 6.6316 6.6316 6.6948 6.6948 7.3705 7.3705 11.4946 11.4946 12.1456 12.1456 12.5822 12.5822 15.0535 15.0535 15.6265 15.6265 16.2201 16.2201 k = 0.5000 0.2887 0.0456 ( 3726 PWs) bands (ev): -13.5114 -13.5114 -12.6292 -12.6292 -11.2723 -11.2723 -10.4598 -10.4598 -9.9613 -9.9613 -9.6945 -9.6945 -3.0246 -3.0246 -1.1090 -1.1090 0.5927 0.5927 0.8974 0.8974 1.2528 1.2528 1.6748 1.6748 1.8356 1.8356 2.0713 2.0713 2.3292 2.3292 2.9212 2.9212 3.2766 3.2766 3.7664 3.7664 4.1484 4.1484 4.4281 4.4281 4.5560 4.5560 4.9834 4.9834 5.4491 5.4491 5.9628 5.9628 6.1786 6.1786 6.4671 6.4671 6.6010 6.6010 6.6996 6.6996 7.3864 7.3864 11.5053 11.5053 12.1408 12.1408 12.5888 12.5888 15.0457 15.0457 15.6168 15.6168 16.2113 16.2113 k = 0.5000 0.2887 0.0304 ( 3722 PWs) bands (ev): -13.5118 -13.5118 -12.6300 -12.6300 -11.2724 -11.2724 -10.4590 -10.4590 -9.9597 -9.9597 -9.6946 -9.6946 -3.0255 -3.0255 -1.1068 -1.1068 0.5998 0.5998 0.8908 0.8908 1.2528 1.2528 1.6914 1.6914 1.8158 1.8158 2.1066 2.1066 2.2964 2.2964 2.9043 2.9043 3.2697 3.2697 3.7673 3.7673 4.1494 4.1494 4.4386 4.4386 4.5494 4.5494 4.9910 4.9910 5.4651 5.4651 5.9605 5.9605 6.1743 6.1743 6.4798 6.4798 6.5708 6.5708 6.7039 6.7039 7.3980 7.3980 11.5131 11.5131 12.1373 12.1373 12.5935 12.5935 15.0399 15.0399 15.6098 15.6098 16.2050 16.2050 k = 0.5000 0.2887 0.0152 ( 3724 PWs) bands (ev): -13.5120 -13.5120 -12.6304 -12.6304 -11.2725 -11.2725 -10.4585 -10.4585 -9.9587 -9.9587 -9.6947 -9.6947 -3.0261 -3.0261 -1.1054 -1.1054 0.6042 0.6042 0.8868 0.8868 1.2528 1.2528 1.7052 1.7052 1.7994 1.7994 2.1388 2.1388 2.2664 2.2664 2.8940 2.8940 3.2657 3.2657 3.7679 3.7679 4.1499 4.1499 4.4451 4.4451 4.5452 4.5452 4.9953 4.9953 5.4756 5.4756 5.9592 5.9592 6.1712 6.1712 6.4969 6.4969 6.5429 6.5429 6.7066 6.7066 7.4050 7.4050 11.5178 11.5178 12.1352 12.1352 12.5964 12.5964 15.0363 15.0363 15.6055 15.6055 16.2013 16.2013 k = 0.5000 0.2887-0.0000 ( 3728 PWs) bands (ev): -13.5121 -13.5121 -12.6305 -12.6305 -11.2725 -11.2725 -10.4584 -10.4584 -9.9584 -9.9584 -9.6947 -9.6947 -3.0263 -3.0263 -1.1050 -1.1050 0.6056 0.6056 0.8854 0.8854 1.2527 1.2527 1.7111 1.7111 1.7925 1.7925 2.1543 2.1543 2.2517 2.2517 2.8905 2.8905 3.2643 3.2643 3.7681 3.7681 4.1501 4.1501 4.4474 4.4474 4.5437 4.5437 4.9966 4.9966 5.4792 5.4792 5.9587 5.9587 6.1701 6.1701 6.5178 6.5178 6.5183 6.5183 6.7076 6.7076 7.4074 7.4074 11.5194 11.5194 12.1345 12.1345 12.5974 12.5974 15.0351 15.0351 15.6041 15.6041 16.2000 16.2000 k = 0.3333 0.5774-0.0000 ( 3696 PWs) bands (ev): -13.0711 -13.0711 -13.0648 -13.0648 -11.4086 -11.4086 -10.2481 -10.2481 -10.2480 -10.2480 -9.5712 -9.5712 -2.0523 -2.0523 -2.0521 -2.0521 0.6385 0.6385 0.7563 0.7563 1.2983 1.2983 1.8896 1.8896 2.1647 2.1647 2.4465 2.4465 2.5261 2.5261 2.7200 2.7200 2.8876 2.8876 3.4631 3.4631 3.6802 3.6802 3.9212 3.9212 4.8171 4.8171 5.2501 5.2501 5.6683 5.6683 5.6701 5.6701 6.3830 6.3830 6.4316 6.4316 6.4670 6.4670 7.2426 7.2426 7.2767 7.2767 11.6197 11.6197 12.4312 12.4312 12.4459 12.4459 14.5323 14.5323 14.8171 14.8171 17.0677 17.0677 k = 0.3333 0.5774 0.0152 ( 3693 PWs) bands (ev): -13.0707 -13.0707 -13.0644 -13.0644 -11.4069 -11.4069 -10.2493 -10.2493 -10.2491 -10.2491 -9.5747 -9.5747 -2.0510 -2.0510 -2.0510 -2.0510 0.6697 0.6697 0.7805 0.7805 1.3482 1.3482 1.8730 1.8730 2.1340 2.1340 2.4451 2.4451 2.5157 2.5157 2.7202 2.7202 2.8654 2.8654 3.4543 3.4543 3.6475 3.6475 3.9014 3.9014 4.7731 4.7731 5.2491 5.2491 5.6723 5.6723 5.6731 5.6731 6.3960 6.3960 6.4179 6.4179 6.4534 6.4534 7.2839 7.2839 7.3126 7.3126 11.6771 11.6771 12.4147 12.4147 12.4325 12.4325 14.5648 14.5648 14.8542 14.8542 17.0388 17.0388 k = 0.3333 0.5774 0.0304 ( 3705 PWs) bands (ev): -13.0701 -13.0701 -13.0638 -13.0638 -11.4048 -11.4048 -10.2509 -10.2509 -10.2505 -10.2505 -9.5786 -9.5786 -2.0501 -2.0501 -2.0499 -2.0499 0.7022 0.7022 0.8055 0.8055 1.3985 1.3985 1.8544 1.8544 2.1009 2.1009 2.4450 2.4450 2.5056 2.5056 2.7204 2.7204 2.8464 2.8464 3.4496 3.4496 3.6145 3.6145 3.8814 3.8814 4.7305 4.7305 5.2479 5.2479 5.6775 5.6775 5.6777 5.6777 6.4029 6.4029 6.4105 6.4105 6.4387 6.4387 7.3208 7.3208 7.3448 7.3448 11.7311 11.7311 12.3965 12.3965 12.4177 12.4177 14.6028 14.6028 14.8959 14.8959 17.0101 17.0101 k = 0.3333 0.5774 0.0456 ( 3705 PWs) bands (ev): -13.0693 -13.0693 -13.0631 -13.0631 -11.4026 -11.4026 -10.2527 -10.2527 -10.2521 -10.2521 -9.5827 -9.5827 -2.0495 -2.0495 -2.0489 -2.0489 0.7357 0.7357 0.8308 0.8308 1.4486 1.4486 1.8344 1.8344 2.0660 2.0660 2.4457 2.4457 2.4954 2.4954 2.7208 2.7208 2.8309 2.8309 3.4490 3.4490 3.5815 3.5815 3.8615 3.8615 4.6892 4.6892 5.2464 5.2464 5.6836 5.6836 5.6838 5.6838 6.3867 6.3867 6.4211 6.4211 6.4286 6.4286 7.3533 7.3533 7.3730 7.3730 11.7810 11.7810 12.3770 12.3770 12.4018 12.4018 14.6460 14.6460 14.9420 14.9420 16.9820 16.9820 k = 0.3333 0.5774 0.0608 ( 3717 PWs) bands (ev): -13.0685 -13.0685 -13.0623 -13.0623 -11.4002 -11.4002 -10.2548 -10.2548 -10.2541 -10.2541 -9.5871 -9.5871 -2.0491 -2.0491 -2.0482 -2.0482 0.7700 0.7700 0.8564 0.8564 1.4976 1.4976 1.8135 1.8135 2.0299 2.0299 2.4471 2.4471 2.4851 2.4851 2.7212 2.7212 2.8193 2.8193 3.4523 3.4523 3.5489 3.5489 3.8421 3.8421 4.6493 4.6493 5.2446 5.2446 5.6908 5.6908 5.6912 5.6912 6.3696 6.3696 6.4059 6.4059 6.4448 6.4448 7.3809 7.3809 7.3968 7.3968 11.8265 11.8265 12.3566 12.3566 12.3850 12.3850 14.6943 14.6943 14.9924 14.9924 16.9548 16.9548 k = 0.3333 0.5774 0.0760 ( 3729 PWs) bands (ev): -13.0674 -13.0674 -13.0613 -13.0613 -11.3976 -11.3976 -10.2571 -10.2571 -10.2563 -10.2563 -9.5916 -9.5916 -2.0489 -2.0489 -2.0477 -2.0477 0.8047 0.8047 0.8819 0.8819 1.5440 1.5440 1.7928 1.7928 1.9931 1.9931 2.4490 2.4490 2.4748 2.4748 2.7219 2.7219 2.8120 2.8120 3.4593 3.4593 3.5171 3.5171 3.8238 3.8238 4.6109 4.6109 5.2427 5.2427 5.6991 5.6991 5.6993 5.6993 6.3517 6.3517 6.3888 6.3888 6.4633 6.4633 7.4036 7.4036 7.4163 7.4163 11.8672 11.8672 12.3355 12.3355 12.3675 12.3675 14.7473 14.7473 15.0467 15.0467 16.9287 16.9287 k = 0.3333 0.5774 0.0912 ( 3723 PWs) bands (ev): -13.0663 -13.0663 -13.0602 -13.0602 -11.3948 -11.3948 -10.2596 -10.2596 -10.2588 -10.2588 -9.5963 -9.5963 -2.0490 -2.0490 -2.0474 -2.0474 0.8395 0.8395 0.9072 0.9072 1.5858 1.5858 1.7735 1.7735 1.9561 1.9561 2.4513 2.4513 2.4645 2.4645 2.7228 2.7228 2.8092 2.8092 3.4698 3.4698 3.4866 3.4866 3.8068 3.8068 4.5737 4.5737 5.2405 5.2405 5.7082 5.7082 5.7084 5.7084 6.3332 6.3332 6.3713 6.3713 6.4826 6.4826 7.4212 7.4212 7.4312 7.4312 11.9027 11.9027 12.3141 12.3141 12.3497 12.3497 14.8050 14.8050 15.1047 15.1047 16.9041 16.9041 k = 0.3333 0.5774 0.1064 ( 3729 PWs) bands (ev): -13.0651 -13.0651 -13.0589 -13.0589 -11.3919 -11.3919 -10.2623 -10.2623 -10.2614 -10.2614 -9.6011 -9.6011 -2.0493 -2.0493 -2.0473 -2.0473 0.8741 0.8741 0.9318 0.9318 1.6191 1.6191 1.7588 1.7588 1.9192 1.9192 2.4543 2.4543 2.4545 2.4545 2.7240 2.7240 2.8115 2.8115 3.4580 3.4580 3.4835 3.4835 3.7914 3.7914 4.5380 4.5380 5.2382 5.2382 5.7174 5.7174 5.7184 5.7184 6.3143 6.3143 6.3535 6.3535 6.5027 6.5027 7.4336 7.4336 7.4414 7.4414 11.9327 11.9327 12.2928 12.2928 12.3318 12.3318 14.8668 14.8668 15.1659 15.1659 16.8810 16.8810 k = 0.3333 0.5774 0.1216 ( 3735 PWs) bands (ev): -13.0637 -13.0637 -13.0576 -13.0576 -11.3889 -11.3889 -10.2652 -10.2652 -10.2643 -10.2643 -9.6060 -9.6060 -2.0498 -2.0498 -2.0474 -2.0474 0.9079 0.9079 0.9556 0.9556 1.6374 1.6374 1.7540 1.7540 1.8830 1.8830 2.4452 2.4452 2.4586 2.4586 2.7255 2.7255 2.8190 2.8190 3.4321 3.4321 3.5002 3.5002 3.7777 3.7777 4.5034 4.5034 5.2357 5.2357 5.7269 5.7269 5.7290 5.7290 6.2953 6.2953 6.3356 6.3356 6.5232 6.5232 7.4409 7.4409 7.4470 7.4470 11.9569 11.9569 12.2719 12.2719 12.3140 12.3140 14.9326 14.9326 15.2301 15.2301 16.8595 16.8595 k = 0.3333 0.5774 0.1368 ( 3726 PWs) bands (ev): -13.0623 -13.0623 -13.0561 -13.0561 -11.3858 -11.3858 -10.2682 -10.2682 -10.2673 -10.2673 -9.6109 -9.6109 -2.0505 -2.0505 -2.0477 -2.0477 0.9404 0.9404 0.9782 0.9782 1.6368 1.6368 1.7617 1.7617 1.8478 1.8478 2.4368 2.4368 2.4648 2.4648 2.7273 2.7273 2.8321 2.8321 3.4094 3.4094 3.5198 3.5198 3.7658 3.7658 4.4702 4.4702 5.2330 5.2330 5.7362 5.7362 5.7398 5.7398 6.2763 6.2763 6.3180 6.3180 6.5439 6.5439 7.4429 7.4429 7.4479 7.4479 11.9752 11.9752 12.2516 12.2516 12.2966 12.2966 15.0021 15.0021 15.2967 15.2967 16.8398 16.8398 k = 0.3333 0.5774 0.1520 ( 3732 PWs) bands (ev): -13.0608 -13.0608 -13.0546 -13.0546 -11.3827 -11.3827 -10.2713 -10.2713 -10.2705 -10.2705 -9.6157 -9.6157 -2.0515 -2.0515 -2.0482 -2.0482 0.9710 0.9710 0.9995 0.9995 1.6231 1.6231 1.7751 1.7751 1.8142 1.8142 2.4297 2.4297 2.4738 2.4738 2.7291 2.7291 2.8510 2.8510 3.3909 3.3909 3.5419 3.5419 3.7557 3.7557 4.4382 4.4382 5.2302 5.2302 5.7450 5.7450 5.7503 5.7503 6.2578 6.2578 6.3008 6.3008 6.5645 6.5645 7.4398 7.4398 7.4441 7.4441 11.9873 11.9873 12.2323 12.2323 12.2798 12.2798 15.0748 15.0748 15.3653 15.3653 16.8216 16.8216 k = 0.3333 0.5774 0.1672 ( 3738 PWs) bands (ev): -13.0592 -13.0592 -13.0530 -13.0530 -11.3796 -11.3796 -10.2745 -10.2745 -10.2738 -10.2738 -9.6205 -9.6205 -2.0527 -2.0527 -2.0489 -2.0489 0.9991 0.9991 1.0191 1.0191 1.6032 1.6032 1.7826 1.7826 1.7862 1.7862 2.4243 2.4243 2.4861 2.4861 2.7310 2.7310 2.8757 2.8757 3.3772 3.3772 3.5665 3.5665 3.7474 3.7474 4.4076 4.4076 5.2274 5.2274 5.7530 5.7530 5.7602 5.7602 6.2401 6.2401 6.2845 6.2845 6.5849 6.5849 7.4315 7.4315 7.4357 7.4357 11.9932 11.9932 12.2140 12.2140 12.2637 12.2637 15.1505 15.1505 15.4352 15.4352 16.8049 16.8049 k = 0.3333 0.5774 0.1824 ( 3741 PWs) bands (ev): -13.0576 -13.0576 -13.0513 -13.0513 -11.3765 -11.3765 -10.2778 -10.2778 -10.2772 -10.2772 -9.6252 -9.6252 -2.0540 -2.0540 -2.0499 -2.0499 1.0237 1.0237 1.0368 1.0368 1.5807 1.5807 1.7537 1.7537 1.7910 1.7910 2.4209 2.4209 2.5022 2.5022 2.7329 2.7329 2.9061 2.9061 3.3693 3.3693 3.5934 3.5934 3.7407 3.7407 4.3783 4.3783 5.2245 5.2245 5.7595 5.7595 5.7688 5.7688 6.2237 6.2237 6.2695 6.2695 6.6048 6.6048 7.4183 7.4183 7.4228 7.4228 11.9928 11.9928 12.1970 12.1970 12.2486 12.2486 15.2287 15.2287 15.5058 15.5058 16.7892 16.7892 k = 0.3333 0.5774 0.1976 ( 3741 PWs) bands (ev): -13.0560 -13.0560 -13.0496 -13.0496 -11.3734 -11.3734 -10.2810 -10.2810 -10.2806 -10.2806 -9.6297 -9.6297 -2.0556 -2.0556 -2.0510 -2.0510 1.0442 1.0442 1.0524 1.0524 1.5571 1.5571 1.7280 1.7280 1.7880 1.7880 2.4197 2.4197 2.5217 2.5217 2.7347 2.7347 2.9417 2.9417 3.3677 3.3677 3.6225 3.6225 3.7357 3.7357 4.3505 4.3505 5.2215 5.2215 5.7640 5.7640 5.7754 5.7754 6.2093 6.2093 6.2562 6.2562 6.6242 6.6242 7.4003 7.4003 7.4054 7.4054 11.9862 11.9862 12.1815 12.1815 12.2346 12.2346 15.3091 15.3091 15.5763 15.5763 16.7737 16.7737 k = 0.3333 0.5774 0.2128 ( 3747 PWs) bands (ev): -13.0544 -13.0544 -13.0479 -13.0479 -11.3704 -11.3704 -10.2843 -10.2843 -10.2840 -10.2840 -9.6340 -9.6340 -2.0573 -2.0573 -2.0522 -2.0522 1.0596 1.0596 1.0656 1.0656 1.5331 1.5331 1.7061 1.7061 1.7773 1.7773 2.4211 2.4211 2.5441 2.5441 2.7366 2.7366 2.9821 2.9821 3.3732 3.3732 3.6538 3.6538 3.7322 3.7322 4.3243 4.3243 5.2185 5.2185 5.7660 5.7660 5.7793 5.7793 6.1975 6.1975 6.2451 6.2451 6.6427 6.6427 7.3778 7.3778 7.3838 7.3838 11.9735 11.9735 12.1676 12.1676 12.2218 12.2218 15.3913 15.3913 15.6457 15.6457 16.7572 16.7572 k = 0.3333 0.5774 0.2280 ( 3753 PWs) bands (ev): -13.0527 -13.0527 -13.0461 -13.0461 -11.3675 -11.3675 -10.2875 -10.2875 -10.2874 -10.2874 -9.6380 -9.6380 -2.0591 -2.0591 -2.0537 -2.0537 1.0694 1.0694 1.0763 1.0763 1.5093 1.5093 1.6887 1.6887 1.7595 1.7595 2.4253 2.4253 2.5685 2.5685 2.7385 2.7385 3.0266 3.0266 3.3861 3.3861 3.6873 3.6873 3.7304 3.7304 4.2997 4.2997 5.2156 5.2156 5.7648 5.7648 5.7796 5.7796 6.1890 6.1890 6.2368 6.2368 6.6602 6.6602 7.3508 7.3508 7.3581 7.3581 11.9549 11.9549 12.1553 12.1553 12.2103 12.2103 15.4748 15.4748 15.7128 15.7128 16.7383 16.7383 k = 0.3333 0.5774 0.2432 ( 3753 PWs) bands (ev): -13.0511 -13.0511 -13.0444 -13.0444 -11.3648 -11.3648 -10.2907 -10.2907 -10.2906 -10.2906 -9.6418 -9.6418 -2.0611 -2.0611 -2.0553 -2.0553 1.0728 1.0728 1.0842 1.0842 1.4859 1.4859 1.6760 1.6760 1.7357 1.7357 2.4323 2.4323 2.5940 2.5940 2.7404 2.7404 3.0743 3.0743 3.4065 3.4065 3.7228 3.7228 3.7307 3.7307 4.2771 4.2771 5.2127 5.2127 5.7600 5.7600 5.7757 5.7757 6.1844 6.1844 6.2315 6.2315 6.6765 6.6765 7.3199 7.3199 7.3286 7.3286 11.9305 11.9305 12.1447 12.1447 12.2002 12.2002 15.5590 15.5590 15.7764 15.7764 16.7149 16.7149 k = 0.3333 0.5774 0.2584 ( 3750 PWs) bands (ev): -13.0495 -13.0495 -13.0427 -13.0427 -11.3622 -11.3622 -10.2940 -10.2940 -10.2936 -10.2936 -9.6452 -9.6452 -2.0632 -2.0632 -2.0570 -2.0570 1.0700 1.0700 1.0890 1.0890 1.4633 1.4633 1.6681 1.6681 1.7070 1.7070 2.4423 2.4423 2.6198 2.6198 2.7423 2.7423 3.1246 3.1246 3.4334 3.4334 3.7339 3.7339 3.7604 3.7604 4.2566 4.2566 5.2099 5.2099 5.7511 5.7511 5.7671 5.7671 6.1840 6.1840 6.2296 6.2296 6.6914 6.6914 7.2852 7.2852 7.2954 7.2954 11.9006 11.9006 12.1358 12.1358 12.1915 12.1915 15.6433 15.6433 15.8348 15.8348 16.6852 16.6852 k = 0.3333 0.5774 0.2736 ( 3744 PWs) bands (ev): -13.0480 -13.0480 -13.0411 -13.0411 -11.3598 -11.3598 -10.2971 -10.2971 -10.2965 -10.2965 -9.6483 -9.6483 -2.0653 -2.0653 -2.0588 -2.0588 1.0610 1.0610 1.0906 1.0906 1.4416 1.4416 1.6646 1.6646 1.6747 1.6747 2.4552 2.4552 2.6453 2.6453 2.7443 2.7443 3.1769 3.1769 3.4650 3.4650 3.7417 3.7417 3.8002 3.8002 4.2383 4.2383 5.2072 5.2072 5.7379 5.7379 5.7535 5.7535 6.1878 6.1878 6.2312 6.2312 6.7049 6.7049 7.2472 7.2472 7.2589 7.2589 11.8655 11.8655 12.1286 12.1286 12.1843 12.1843 15.7268 15.7268 15.8862 15.8862 16.6484 16.6484 k = 0.3333 0.5774 0.2888 ( 3738 PWs) bands (ev): -13.0465 -13.0465 -13.0395 -13.0395 -11.3576 -11.3576 -10.3001 -10.3001 -10.2992 -10.2992 -9.6509 -9.6509 -2.0676 -2.0676 -2.0607 -2.0607 1.0465 1.0465 1.0887 1.0887 1.4211 1.4211 1.6401 1.6401 1.6651 1.6651 2.4708 2.4708 2.6698 2.6698 2.7466 2.7466 3.2307 3.2307 3.4976 3.4976 3.7568 3.7568 3.8422 3.8422 4.2225 4.2225 5.2047 5.2047 5.7205 5.7205 5.7352 5.7352 6.1956 6.1956 6.2360 6.2360 6.7166 6.7166 7.2062 7.2062 7.2194 7.2194 11.8257 11.8257 12.1231 12.1231 12.1786 12.1786 15.8084 15.8084 15.9289 15.9289 16.6050 16.6050 k = 0.3333 0.5774 0.3040 ( 3753 PWs) bands (ev): -13.0451 -13.0451 -13.0379 -13.0379 -11.3557 -11.3557 -10.3029 -10.3029 -10.3017 -10.3017 -9.6532 -9.6532 -2.0698 -2.0698 -2.0627 -2.0627 1.0272 1.0272 1.0831 1.0831 1.4014 1.4014 1.6045 1.6045 1.6688 1.6688 2.4891 2.4891 2.6929 2.6929 2.7495 2.7495 3.2857 3.2857 3.5266 3.5266 3.7832 3.7832 3.8864 3.8864 4.2093 4.2093 5.2023 5.2023 5.6990 5.6990 5.7124 5.7124 6.2068 6.2068 6.2439 6.2439 6.7265 6.7265 7.1628 7.1628 7.1771 7.1771 11.7814 11.7814 12.1191 12.1191 12.1743 12.1743 15.8865 15.8865 15.9610 15.9610 16.5574 16.5574 k = 0.3333 0.5774 0.3192 ( 3753 PWs) bands (ev): -13.0438 -13.0438 -13.0365 -13.0365 -11.3540 -11.3540 -10.3055 -10.3055 -10.3040 -10.3040 -9.6549 -9.6549 -2.0722 -2.0722 -2.0648 -2.0648 1.0040 1.0040 1.0739 1.0739 1.3822 1.3822 1.5694 1.5694 1.6750 1.6750 2.5096 2.5096 2.7136 2.7136 2.7539 2.7539 3.3414 3.3414 3.5484 3.5484 3.8236 3.8236 3.9329 3.9329 4.1990 4.1990 5.2000 5.2000 5.6736 5.6736 5.6857 5.6857 6.2209 6.2209 6.2543 6.2543 6.7342 6.7342 7.1174 7.1174 7.1325 7.1325 11.7331 11.7331 12.1168 12.1168 12.1715 12.1715 15.9582 15.9582 15.9811 15.9811 16.5096 16.5096 k = 0.3333 0.5774 0.3344 ( 3756 PWs) bands (ev): -13.0426 -13.0426 -13.0352 -13.0352 -11.3526 -11.3526 -10.3079 -10.3079 -10.3060 -10.3060 -9.6563 -9.6563 -2.0745 -2.0745 -2.0669 -2.0669 0.9778 0.9778 1.0612 1.0612 1.3623 1.3623 1.5367 1.5367 1.6831 1.6831 2.5321 2.5321 2.7295 2.7295 2.7623 2.7623 3.3964 3.3964 3.5630 3.5630 3.8780 3.8780 3.9817 3.9817 4.1917 4.1917 5.1980 5.1980 5.6446 5.6446 5.6554 5.6554 6.2372 6.2372 6.2669 6.2669 6.7396 6.7396 7.0708 7.0708 7.0858 7.0858 11.6812 11.6812 12.1159 12.1159 12.1700 12.1700 15.9885 15.9885 16.0185 16.0185 16.4676 16.4676 k = 0.3333 0.5774 0.3496 ( 3756 PWs) bands (ev): -13.0416 -13.0416 -13.0340 -13.0340 -11.3515 -11.3515 -10.3100 -10.3100 -10.3078 -10.3078 -9.6571 -9.6571 -2.0768 -2.0768 -2.0690 -2.0690 0.9493 0.9493 1.0451 1.0451 1.3402 1.3402 1.5085 1.5085 1.6926 1.6926 2.5562 2.5562 2.7384 2.7384 2.7770 2.7770 3.4467 3.4467 3.5759 3.5759 3.9437 3.9437 4.0328 4.0328 4.1877 4.1877 5.1962 5.1962 5.6124 5.6124 5.6219 5.6219 6.2552 6.2552 6.2811 6.2811 6.7420 6.7420 7.0238 7.0238 7.0374 7.0374 11.6261 11.6261 12.1165 12.1165 12.1700 12.1700 15.9833 15.9833 16.0587 16.0587 16.4406 16.4406 k = 0.3333 0.5774 0.3648 ( 3750 PWs) bands (ev): -13.0406 -13.0406 -13.0329 -13.0329 -11.3508 -11.3508 -10.3118 -10.3118 -10.3094 -10.3094 -9.6574 -9.6574 -2.0790 -2.0790 -2.0711 -2.0711 0.9192 0.9192 1.0262 1.0262 1.3144 1.3144 1.4865 1.4865 1.7031 1.7031 2.5813 2.5813 2.7427 2.7427 2.7956 2.7956 3.4825 3.4825 3.5984 3.5984 4.0173 4.0173 4.0863 4.0863 4.1875 4.1875 5.1947 5.1947 5.5773 5.5773 5.5857 5.5857 6.2742 6.2742 6.2965 6.2965 6.7409 6.7409 6.9774 6.9774 6.9879 6.9879 11.5684 11.5684 12.1185 12.1185 12.1713 12.1713 15.9664 15.9664 16.0688 16.0688 16.4392 16.4392 k = 0.3333 0.5774 0.3800 ( 3756 PWs) bands (ev): -13.0398 -13.0398 -13.0320 -13.0320 -11.3503 -11.3503 -10.3134 -10.3134 -10.3106 -10.3106 -9.6573 -9.6573 -2.0813 -2.0813 -2.0732 -2.0732 0.8879 0.8879 1.0049 1.0049 1.2843 1.2843 1.4715 1.4715 1.7145 1.7145 2.6072 2.6072 2.7451 2.7451 2.8156 2.8156 3.4959 3.4959 3.6397 3.6397 4.0953 4.0953 4.1421 4.1421 4.1924 4.1924 5.1933 5.1933 5.5395 5.5395 5.5470 5.5470 6.2938 6.2938 6.3125 6.3125 6.7352 6.7352 6.9333 6.9333 6.9376 6.9376 11.5084 11.5084 12.1218 12.1218 12.1738 12.1738 15.9393 15.9393 16.0472 16.0472 16.4653 16.4653 k = 0.3333 0.5774 0.3952 ( 3744 PWs) bands (ev): -13.0392 -13.0392 -13.0312 -13.0312 -11.3501 -11.3501 -10.3147 -10.3147 -10.3115 -10.3115 -9.6566 -9.6566 -2.0834 -2.0834 -2.0752 -2.0752 0.8561 0.8561 0.9817 0.9817 1.2505 1.2505 1.4630 1.4630 1.7264 1.7264 2.6333 2.6333 2.7465 2.7465 2.8360 2.8360 3.4936 3.4936 3.6933 3.6933 4.1686 4.1686 4.2002 4.2002 4.2102 4.2102 5.1923 5.1923 5.4994 5.4994 5.5062 5.5062 6.3135 6.3135 6.3288 6.3288 6.7231 6.7231 6.8870 6.8870 6.8937 6.8937 11.4467 11.4467 12.1263 12.1263 12.1775 12.1775 15.9038 15.9038 16.0034 16.0034 16.5093 16.5093 k = 0.3333 0.5774 0.4104 ( 3744 PWs) bands (ev): -13.0387 -13.0387 -13.0305 -13.0305 -11.3503 -11.3503 -10.3156 -10.3156 -10.3122 -10.3122 -9.6555 -9.6555 -2.0854 -2.0854 -2.0772 -2.0772 0.8239 0.8239 0.9572 0.9572 1.2143 1.2143 1.4598 1.4598 1.7389 1.7389 2.6593 2.6593 2.7475 2.7475 2.8562 2.8562 3.4838 3.4838 3.7503 3.7503 4.2028 4.2028 4.2604 4.2604 4.2750 4.2750 5.1916 5.1916 5.4571 5.4571 5.4634 5.4634 6.3326 6.3326 6.3447 6.3447 6.7029 6.7029 6.8368 6.8368 6.8608 6.8608 11.3837 11.3837 12.1319 12.1319 12.1824 12.1824 15.8615 15.8615 15.9472 15.9472 16.5616 16.5616 k = 0.3333 0.5774 0.4256 ( 3768 PWs) bands (ev): -13.0384 -13.0384 -13.0301 -13.0301 -11.3508 -11.3508 -10.3162 -10.3162 -10.3125 -10.3125 -9.6538 -9.6538 -2.0873 -2.0873 -2.0792 -2.0792 0.7917 0.7917 0.9316 0.9316 1.1767 1.1767 1.4607 1.4607 1.7520 1.7520 2.6847 2.6847 2.7481 2.7481 2.8760 2.8760 3.4705 3.4705 3.8056 3.8056 4.2257 4.2257 4.3224 4.3224 4.3593 4.3593 5.1911 5.1911 5.4130 5.4130 5.4191 5.4191 6.3505 6.3505 6.3594 6.3594 6.6747 6.6747 6.7876 6.7876 6.8357 6.8357 11.3201 11.3201 12.1385 12.1385 12.1883 12.1883 15.8141 15.8141 15.8845 15.8845 16.6164 16.6164 k = 0.3333 0.5774 0.4408 ( 3762 PWs) bands (ev): -13.0382 -13.0382 -13.0298 -13.0298 -11.3516 -11.3516 -10.3165 -10.3165 -10.3124 -10.3124 -9.6517 -9.6517 -2.0891 -2.0891 -2.0810 -2.0810 0.7599 0.7599 0.9055 0.9055 1.1389 1.1389 1.4648 1.4648 1.7655 1.7655 2.7094 2.7094 2.7484 2.7484 2.8951 2.8951 3.4555 3.4555 3.8556 3.8556 4.2553 4.2553 4.3860 4.3860 4.4459 4.4459 5.1909 5.1909 5.3674 5.3674 5.3736 5.3736 6.3663 6.3663 6.3721 6.3721 6.6409 6.6409 6.7404 6.7404 6.8168 6.8168 11.2562 11.2562 12.1462 12.1462 12.1952 12.1952 15.7628 15.7628 15.8186 15.8186 16.6707 16.6707 k = 0.3333 0.5774 0.4560 ( 3774 PWs) bands (ev): -13.0382 -13.0382 -13.0297 -13.0297 -11.3528 -11.3528 -10.3164 -10.3164 -10.3121 -10.3121 -9.6492 -9.6492 -2.0908 -2.0908 -2.0827 -2.0827 0.7285 0.7285 0.8792 0.8792 1.1016 1.1016 1.4715 1.4715 1.7796 1.7796 2.7330 2.7330 2.7485 2.7485 2.9132 2.9132 3.4399 3.4399 3.8979 3.8979 4.2944 4.2944 4.4506 4.4506 4.5325 4.5325 5.1910 5.1910 5.3208 5.3208 5.3274 5.3274 6.3788 6.3788 6.3807 6.3807 6.6060 6.6060 6.6967 6.6967 6.8018 6.8018 11.1927 11.1927 12.1547 12.1547 12.2030 12.2030 15.7089 15.7089 15.7511 15.7511 16.7231 16.7231 k = 0.3333 0.5774 0.4712 ( 3774 PWs) bands (ev): -13.0383 -13.0383 -13.0297 -13.0297 -11.3542 -11.3542 -10.3160 -10.3160 -10.3114 -10.3114 -9.6463 -9.6463 -2.0922 -2.0922 -2.0843 -2.0843 0.6979 0.6979 0.8529 0.8529 1.0651 1.0651 1.4802 1.4802 1.7943 1.7943 2.7484 2.7484 2.7552 2.7552 2.9298 2.9298 3.4247 3.4247 3.9312 3.9312 4.3434 4.3434 4.5153 4.5153 4.6181 4.6181 5.1913 5.1913 5.2738 5.2738 5.2814 5.2814 6.3827 6.3827 6.3859 6.3859 6.5748 6.5748 6.6585 6.6585 6.7887 6.7887 11.1300 11.1300 12.1642 12.1642 12.2117 12.2117 15.6533 15.6533 15.6830 15.6830 16.7731 16.7731 k = 0.3333 0.5774 0.4865 ( 3768 PWs) bands (ev): -13.0386 -13.0386 -13.0300 -13.0300 -11.3559 -11.3559 -10.3153 -10.3153 -10.3105 -10.3105 -9.6429 -9.6429 -2.0935 -2.0935 -2.0857 -2.0857 0.6681 0.6681 0.8269 0.8269 1.0301 1.0301 1.4907 1.4907 1.8095 1.8095 2.7481 2.7481 2.7759 2.7759 2.9444 2.9444 3.4107 3.4107 3.9557 3.9557 4.4010 4.4010 4.5787 4.5787 4.7017 4.7017 5.1916 5.1916 5.2276 5.2276 5.2370 5.2370 6.3744 6.3744 6.3852 6.3852 6.5524 6.5524 6.6285 6.6285 6.7763 6.7763 11.0688 11.0688 12.1745 12.1745 12.2212 12.2212 15.5967 15.5967 15.6150 15.6150 16.8204 16.8204 Writing output data file HgxAsO3x2.save init_run : 0.30s CPU 0.41s WALL ( 1 calls) electrons : 394.56s CPU 399.43s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 394.56s CPU 399.42s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 313 calls) cegterg : 376.98s CPU 381.22s WALL ( 851 calls) Called by sum_band: Called by *egterg: h_psi : 190.42s CPU 193.17s WALL ( 15887 calls) s_psi : 8.39s CPU 8.31s WALL ( 15887 calls) g_psi : 0.48s CPU 0.47s WALL ( 14723 calls) cdiaghg : 152.12s CPU 153.58s WALL ( 15036 calls) cegterg:over : 14.42s CPU 14.71s WALL ( 14723 calls) cegterg:upda : 12.43s CPU 12.50s WALL ( 14723 calls) cegterg:last : 6.48s CPU 6.56s WALL ( 2094 calls) cdiaghg:chol : 8.50s CPU 8.68s WALL ( 15036 calls) cdiaghg:inve : 6.27s CPU 6.11s WALL ( 15036 calls) cdiaghg:para : 10.12s CPU 10.19s WALL ( 30072 calls) Called by h_psi: h_psi:vloc : 168.10s CPU 170.57s WALL ( 15887 calls) h_psi:vnl : 21.80s CPU 22.07s WALL ( 15887 calls) add_vuspsi : 9.97s CPU 10.15s WALL ( 15887 calls) General routines calbec : 11.78s CPU 11.87s WALL ( 15887 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 156.90s CPU 159.17s WALL ( 1666404 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.28s WALL ( 626 calls) Parallel routines fft_scatter : 47.13s CPU 47.63s WALL ( 1666427 calls) PWSCF : 6m53.21s CPU 7m 8.42s WALL This run was terminated on: 20:36:29 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=