Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:38: 8 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./CsAlO2.save/ 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 71 71 20 2436 2397 350 Max 72 72 21 2442 2416 352 Sum 2587 2587 721 87843 86547 12627 bravais-lattice index = 14 lattice parameter (alat) = 10.8209 a.u. unit-cell volume = 895.9212 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.820856 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 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) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Al 3.00 26.98150 Al( 1.00) Cs 9.00 132.90550 Cs( 1.00) 12 Sym. Ops., with inversion, found (10 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.5000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( -0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.5000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( -0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( -0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( -0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] 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 [1,1,0] cryst. s(12) = ( 1 -1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -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 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 263 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 2) = ( 0.0128205 -0.0074019 0.0104679), wk = 0.0038023 k( 3) = ( 0.0256410 -0.0148039 0.0209358), wk = 0.0038023 k( 4) = ( 0.0384615 -0.0222058 0.0314037), wk = 0.0038023 k( 5) = ( 0.0512821 -0.0296077 0.0418716), wk = 0.0038023 k( 6) = ( 0.0641026 -0.0370096 0.0523395), wk = 0.0038023 k( 7) = ( 0.0769231 -0.0444116 0.0628074), wk = 0.0038023 k( 8) = ( 0.0897436 -0.0518135 0.0732753), wk = 0.0038023 k( 9) = ( 0.1025641 -0.0592154 0.0837432), wk = 0.0038023 k( 10) = ( 0.1153846 -0.0666173 0.0942111), wk = 0.0038023 k( 11) = ( 0.1282051 -0.0740193 0.1046791), wk = 0.0038023 k( 12) = ( 0.1410256 -0.0814212 0.1151470), wk = 0.0038023 k( 13) = ( 0.1538461 -0.0888231 0.1256149), wk = 0.0038023 k( 14) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0038023 k( 15) = ( 0.1794872 -0.1036270 0.1465507), wk = 0.0038023 k( 16) = ( 0.1923077 -0.1110289 0.1570186), wk = 0.0038023 k( 17) = ( 0.2051282 -0.1184308 0.1674865), wk = 0.0038023 k( 18) = ( 0.2179487 -0.1258328 0.1779544), wk = 0.0038023 k( 19) = ( 0.2307692 -0.1332347 0.1884223), wk = 0.0038023 k( 20) = ( 0.2435897 -0.1406366 0.1988902), wk = 0.0038023 k( 21) = ( 0.2564103 -0.1480385 0.2093581), wk = 0.0038023 k( 22) = ( 0.2692308 -0.1554405 0.2198260), wk = 0.0038023 k( 23) = ( 0.2820513 -0.1628424 0.2302939), wk = 0.0038023 k( 24) = ( 0.2948718 -0.1702443 0.2407618), wk = 0.0038023 k( 25) = ( 0.3076923 -0.1776462 0.2512297), wk = 0.0038023 k( 26) = ( 0.3205128 -0.1850482 0.2616976), wk = 0.0038023 k( 27) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0038023 k( 28) = ( 0.3461538 -0.1998520 0.2826334), wk = 0.0038023 k( 29) = ( 0.3589744 -0.2072539 0.2931013), wk = 0.0038023 k( 30) = ( 0.3717949 -0.2146559 0.3035692), wk = 0.0038023 k( 31) = ( 0.3846154 -0.2220578 0.3140371), wk = 0.0038023 k( 32) = ( 0.3974359 -0.2294597 0.3245051), wk = 0.0038023 k( 33) = ( 0.4102564 -0.2368616 0.3349730), wk = 0.0038023 k( 34) = ( 0.4230769 -0.2442636 0.3454409), wk = 0.0038023 k( 35) = ( 0.4358974 -0.2516655 0.3559088), wk = 0.0038023 k( 36) = ( 0.4487179 -0.2590674 0.3663767), wk = 0.0038023 k( 37) = ( 0.4615385 -0.2664694 0.3768446), wk = 0.0038023 k( 38) = ( 0.4743590 -0.2738713 0.3873125), wk = 0.0038023 k( 39) = ( 0.4871795 -0.2812732 0.3977804), wk = 0.0038023 k( 40) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0038023 k( 41) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0038023 k( 42) = ( 0.5000000 -0.2742414 0.4184545), wk = 0.0038023 k( 43) = ( 0.5000000 -0.2598076 0.4286607), wk = 0.0038023 k( 44) = ( 0.5000000 -0.2453739 0.4388669), wk = 0.0038023 k( 45) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0038023 k( 46) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0038023 k( 47) = ( 0.5000000 -0.2020726 0.4694855), wk = 0.0038023 k( 48) = ( 0.5000000 -0.1876388 0.4796917), wk = 0.0038023 k( 49) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0038023 k( 50) = ( 0.5000000 -0.1587713 0.5001042), wk = 0.0038023 k( 51) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0038023 k( 52) = ( 0.5000000 -0.1299038 0.5205166), wk = 0.0038023 k( 53) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0038023 k( 54) = ( 0.5000000 -0.1010363 0.5409290), wk = 0.0038023 k( 55) = ( 0.5000000 -0.0866025 0.5511352), wk = 0.0038023 k( 56) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0038023 k( 57) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0038023 k( 58) = ( 0.5000000 -0.0433013 0.5817538), wk = 0.0038023 k( 59) = ( 0.5000000 -0.0288675 0.5919600), wk = 0.0038023 k( 60) = ( 0.5000000 -0.0144338 0.6021662), wk = 0.0038023 k( 61) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0038023 k( 62) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0038023 k( 63) = ( 0.4910714 0.0154647 0.6123724), wk = 0.0038023 k( 64) = ( 0.4821429 0.0309295 0.6123724), wk = 0.0038023 k( 65) = ( 0.4732143 0.0463942 0.6123724), wk = 0.0038023 k( 66) = ( 0.4642857 0.0618590 0.6123724), wk = 0.0038023 k( 67) = ( 0.4553571 0.0773237 0.6123724), wk = 0.0038023 k( 68) = ( 0.4464286 0.0927884 0.6123724), wk = 0.0038023 k( 69) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0038023 k( 70) = ( 0.4285714 0.1237179 0.6123724), wk = 0.0038023 k( 71) = ( 0.4196429 0.1391826 0.6123724), wk = 0.0038023 k( 72) = ( 0.4107143 0.1546474 0.6123724), wk = 0.0038023 k( 73) = ( 0.4017857 0.1701121 0.6123724), wk = 0.0038023 k( 74) = ( 0.3928571 0.1855769 0.6123724), wk = 0.0038023 k( 75) = ( 0.3839286 0.2010416 0.6123724), wk = 0.0038023 k( 76) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0038023 k( 77) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0038023 k( 78) = ( 0.3660714 0.2113514 0.5977921), wk = 0.0038023 k( 79) = ( 0.3571429 0.2061965 0.5832118), wk = 0.0038023 k( 80) = ( 0.3482143 0.2010416 0.5686315), wk = 0.0038023 k( 81) = ( 0.3392857 0.1958867 0.5540513), wk = 0.0038023 k( 82) = ( 0.3303571 0.1907318 0.5394710), wk = 0.0038023 k( 83) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0038023 k( 84) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0038023 k( 85) = ( 0.3035714 0.1752670 0.4957301), wk = 0.0038023 k( 86) = ( 0.2946429 0.1701121 0.4811498), wk = 0.0038023 k( 87) = ( 0.2857143 0.1649572 0.4665695), wk = 0.0038023 k( 88) = ( 0.2767857 0.1598023 0.4519892), wk = 0.0038023 k( 89) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0038023 k( 90) = ( 0.2589286 0.1494925 0.4228286), wk = 0.0038023 k( 91) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0038023 k( 92) = ( 0.2410714 0.1391827 0.3936680), wk = 0.0038023 k( 93) = ( 0.2321429 0.1340277 0.3790877), wk = 0.0038023 k( 94) = ( 0.2232143 0.1288728 0.3645074), wk = 0.0038023 k( 95) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0038023 k( 96) = ( 0.2053571 0.1185630 0.3353468), wk = 0.0038023 k( 97) = ( 0.1964286 0.1134081 0.3207665), wk = 0.0038023 k( 98) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0038023 k( 99) = ( 0.1785714 0.1030983 0.2916059), wk = 0.0038023 k( 100) = ( 0.1696429 0.0979434 0.2770256), wk = 0.0038023 k( 101) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0038023 k( 102) = ( 0.1517857 0.0876335 0.2478650), wk = 0.0038023 k( 103) = ( 0.1428571 0.0824786 0.2332847), wk = 0.0038023 k( 104) = ( 0.1339286 0.0773237 0.2187044), wk = 0.0038023 k( 105) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0038023 k( 106) = ( 0.1160714 0.0670139 0.1895439), wk = 0.0038023 k( 107) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0038023 k( 108) = ( 0.0982143 0.0567040 0.1603833), wk = 0.0038023 k( 109) = ( 0.0892857 0.0515491 0.1458030), wk = 0.0038023 k( 110) = ( 0.0803571 0.0463942 0.1312227), wk = 0.0038023 k( 111) = ( 0.0714286 0.0412393 0.1166424), wk = 0.0038023 k( 112) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0038023 k( 113) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0038023 k( 114) = ( 0.0446429 0.0257746 0.0729015), wk = 0.0038023 k( 115) = ( 0.0357143 0.0206197 0.0583212), wk = 0.0038023 k( 116) = ( 0.0267857 0.0154647 0.0437409), wk = 0.0038023 k( 117) = ( 0.0178571 0.0103098 0.0291606), wk = 0.0038023 k( 118) = ( 0.0089286 0.0051549 0.0145803), wk = 0.0038023 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 121) = ( 0.0147059 0.0084904 0.0060037), wk = 0.0038023 k( 122) = ( 0.0294118 0.0169809 0.0120073), wk = 0.0038023 k( 123) = ( 0.0441177 0.0254713 0.0180110), wk = 0.0038023 k( 124) = ( 0.0588235 0.0339618 0.0240146), wk = 0.0038023 k( 125) = ( 0.0735294 0.0424522 0.0300183), wk = 0.0038023 k( 126) = ( 0.0882353 0.0509427 0.0360219), wk = 0.0038023 k( 127) = ( 0.1029412 0.0594331 0.0420256), wk = 0.0038023 k( 128) = ( 0.1176471 0.0679236 0.0480292), wk = 0.0038023 k( 129) = ( 0.1323529 0.0764140 0.0540329), wk = 0.0038023 k( 130) = ( 0.1470588 0.0849044 0.0600365), wk = 0.0038023 k( 131) = ( 0.1617647 0.0933949 0.0660402), wk = 0.0038023 k( 132) = ( 0.1764706 0.1018853 0.0720438), wk = 0.0038023 k( 133) = ( 0.1911765 0.1103758 0.0780475), wk = 0.0038023 k( 134) = ( 0.2058823 0.1188662 0.0840511), wk = 0.0038023 k( 135) = ( 0.2205882 0.1273567 0.0900548), wk = 0.0038023 k( 136) = ( 0.2352941 0.1358471 0.0960584), wk = 0.0038023 k( 137) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0038023 k( 138) = ( 0.2647059 0.1528280 0.1080657), wk = 0.0038023 k( 139) = ( 0.2794118 0.1613185 0.1140694), wk = 0.0038023 k( 140) = ( 0.2941177 0.1698089 0.1200730), wk = 0.0038023 k( 141) = ( 0.3088235 0.1782993 0.1260767), wk = 0.0038023 k( 142) = ( 0.3235294 0.1867898 0.1320803), wk = 0.0038023 k( 143) = ( 0.3382353 0.1952802 0.1380840), wk = 0.0038023 k( 144) = ( 0.3529412 0.2037707 0.1440876), wk = 0.0038023 k( 145) = ( 0.3676471 0.2122611 0.1500913), wk = 0.0038023 k( 146) = ( 0.3823529 0.2207516 0.1560949), wk = 0.0038023 k( 147) = ( 0.3970588 0.2292420 0.1620986), wk = 0.0038023 k( 148) = ( 0.4117647 0.2377325 0.1681022), wk = 0.0038023 k( 149) = ( 0.4264706 0.2462229 0.1741059), wk = 0.0038023 k( 150) = ( 0.4411765 0.2547134 0.1801095), wk = 0.0038023 k( 151) = ( 0.4558823 0.2632038 0.1861132), wk = 0.0038023 k( 152) = ( 0.4705882 0.2716942 0.1921168), wk = 0.0038023 k( 153) = ( 0.4852941 0.2801847 0.1981205), wk = 0.0038023 k( 154) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0038023 k( 155) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0038023 k( 156) = ( 0.5052083 0.2736400 0.2126293), wk = 0.0038023 k( 157) = ( 0.5104167 0.2586048 0.2211345), wk = 0.0038023 k( 158) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0038023 k( 159) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0038023 k( 160) = ( 0.5260417 0.2134993 0.2466500), wk = 0.0038023 k( 161) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0038023 k( 162) = ( 0.5364583 0.1834290 0.2636604), wk = 0.0038023 k( 163) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0038023 k( 164) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0038023 k( 165) = ( 0.5520833 0.1383235 0.2891759), wk = 0.0038023 k( 166) = ( 0.5572917 0.1232883 0.2976810), wk = 0.0038023 k( 167) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0038023 k( 168) = ( 0.5677083 0.0932180 0.3146914), wk = 0.0038023 k( 169) = ( 0.5729167 0.0781829 0.3231966), wk = 0.0038023 k( 170) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0038023 k( 171) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0038023 k( 172) = ( 0.5885417 0.0330774 0.3487121), wk = 0.0038023 k( 173) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0038023 k( 174) = ( 0.5989583 0.0030070 0.3657224), wk = 0.0038023 k( 175) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0038023 k( 176) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0038023 k( 177) = ( 0.6145833 -0.0420985 0.3912379), wk = 0.0038023 k( 178) = ( 0.6197917 -0.0571336 0.3997431), wk = 0.0038023 k( 179) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0038023 k( 180) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0038023 k( 181) = ( 0.6160714 -0.0670139 0.4228286), wk = 0.0038023 k( 182) = ( 0.6071429 -0.0618590 0.4374089), wk = 0.0038023 k( 183) = ( 0.5982143 -0.0567040 0.4519892), wk = 0.0038023 k( 184) = ( 0.5892857 -0.0515491 0.4665695), wk = 0.0038023 k( 185) = ( 0.5803571 -0.0463942 0.4811498), wk = 0.0038023 k( 186) = ( 0.5714286 -0.0412393 0.4957301), wk = 0.0038023 k( 187) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0038023 k( 188) = ( 0.5535714 -0.0309295 0.5248907), wk = 0.0038023 k( 189) = ( 0.5446429 -0.0257746 0.5394710), wk = 0.0038023 k( 190) = ( 0.5357143 -0.0206197 0.5540512), wk = 0.0038023 k( 191) = ( 0.5267857 -0.0154647 0.5686316), wk = 0.0038023 k( 192) = ( 0.5178571 -0.0103098 0.5832118), wk = 0.0038023 k( 193) = ( 0.5089286 -0.0051549 0.5977921), wk = 0.0038023 k( 194) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0038023 k( 195) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0038023 k( 196) = ( 0.5000000 0.0103098 0.5977921), wk = 0.0038023 k( 197) = ( 0.5000000 0.0206196 0.5832118), wk = 0.0038023 k( 198) = ( 0.5000000 0.0309295 0.5686316), wk = 0.0038023 k( 199) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0038023 k( 200) = ( 0.5000000 0.0515491 0.5394710), wk = 0.0038023 k( 201) = ( 0.5000000 0.0618590 0.5248907), wk = 0.0038023 k( 202) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0038023 k( 203) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0038023 k( 204) = ( 0.5000000 0.0927884 0.4811498), wk = 0.0038023 k( 205) = ( 0.5000000 0.1030983 0.4665695), wk = 0.0038023 k( 206) = ( 0.5000000 0.1134081 0.4519892), wk = 0.0038023 k( 207) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0038023 k( 208) = ( 0.5000000 0.1340277 0.4228286), wk = 0.0038023 k( 209) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0038023 k( 210) = ( 0.5000000 0.1546474 0.3936680), wk = 0.0038023 k( 211) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0038023 k( 212) = ( 0.5000000 0.1752670 0.3645074), wk = 0.0038023 k( 213) = ( 0.5000000 0.1855769 0.3499271), wk = 0.0038023 k( 214) = ( 0.5000000 0.1958867 0.3353468), wk = 0.0038023 k( 215) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0038023 k( 216) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0038023 k( 217) = ( 0.5000000 0.2268162 0.2916059), wk = 0.0038023 k( 218) = ( 0.5000000 0.2371260 0.2770256), wk = 0.0038023 k( 219) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0038023 k( 220) = ( 0.5000000 0.2577457 0.2478650), wk = 0.0038023 k( 221) = ( 0.5000000 0.2680555 0.2332847), wk = 0.0038023 k( 222) = ( 0.5000000 0.2783653 0.2187044), wk = 0.0038023 k( 223) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0038023 k( 224) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0038023 k( 225) = ( 0.4947917 0.2856681 0.2211345), wk = 0.0038023 k( 226) = ( 0.4895833 0.2826611 0.2381448), wk = 0.0038023 k( 227) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0038023 k( 228) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0038023 k( 229) = ( 0.4739583 0.2736400 0.2891759), wk = 0.0038023 k( 230) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0038023 k( 231) = ( 0.4635417 0.2676259 0.3231966), wk = 0.0038023 k( 232) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0038023 k( 233) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0038023 k( 234) = ( 0.4479167 0.2586048 0.3742276), wk = 0.0038023 k( 235) = ( 0.4427083 0.2555978 0.3912379), wk = 0.0038023 k( 236) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0038023 k( 237) = ( 0.4322917 0.2495837 0.4252586), wk = 0.0038023 k( 238) = ( 0.4270833 0.2465767 0.4422690), wk = 0.0038023 k( 239) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0038023 k( 240) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0038023 k( 241) = ( 0.4114583 0.2375556 0.4933000), wk = 0.0038023 k( 242) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0038023 k( 243) = ( 0.4010417 0.2315415 0.5273207), wk = 0.0038023 k( 244) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0038023 k( 245) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0038023 k( 246) = ( 0.3854167 0.2225204 0.5783517), wk = 0.0038023 k( 247) = ( 0.3802083 0.2195134 0.5953621), wk = 0.0038023 k( 248) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0038023 k( 249) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0038023 k( 250) = ( 0.6160714 -0.0876335 0.4082483), wk = 0.0038023 k( 251) = ( 0.6071429 -0.1030983 0.4082483), wk = 0.0038023 k( 252) = ( 0.5982143 -0.1185630 0.4082483), wk = 0.0038023 k( 253) = ( 0.5892857 -0.1340277 0.4082483), wk = 0.0038023 k( 254) = ( 0.5803571 -0.1494925 0.4082483), wk = 0.0038023 k( 255) = ( 0.5714286 -0.1649572 0.4082483), wk = 0.0038023 k( 256) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0038023 k( 257) = ( 0.5535714 -0.1958867 0.4082483), wk = 0.0038023 k( 258) = ( 0.5446429 -0.2113514 0.4082483), wk = 0.0038023 k( 259) = ( 0.5357143 -0.2268162 0.4082483), wk = 0.0038023 k( 260) = ( 0.5267857 -0.2422809 0.4082483), wk = 0.0038023 k( 261) = ( 0.5178571 -0.2577456 0.4082483), wk = 0.0038023 k( 262) = ( 0.5089286 -0.2732104 0.4082483), wk = 0.0038023 k( 263) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0038023 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 2) = ( 0.0128205 -0.0000000 0.0128205), wk = 0.0038023 k( 3) = ( 0.0256410 -0.0000000 0.0256410), wk = 0.0038023 k( 4) = ( 0.0384615 -0.0000000 0.0384615), wk = 0.0038023 k( 5) = ( 0.0512821 -0.0000000 0.0512821), wk = 0.0038023 k( 6) = ( 0.0641026 -0.0000000 0.0641026), wk = 0.0038023 k( 7) = ( 0.0769231 -0.0000000 0.0769231), wk = 0.0038023 k( 8) = ( 0.0897436 -0.0000000 0.0897436), wk = 0.0038023 k( 9) = ( 0.1025641 -0.0000000 0.1025641), wk = 0.0038023 k( 10) = ( 0.1153846 -0.0000000 0.1153846), wk = 0.0038023 k( 11) = ( 0.1282051 -0.0000000 0.1282051), wk = 0.0038023 k( 12) = ( 0.1410256 0.0000000 0.1410256), wk = 0.0038023 k( 13) = ( 0.1538461 -0.0000000 0.1538461), wk = 0.0038023 k( 14) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0038023 k( 15) = ( 0.1794872 -0.0000000 0.1794872), wk = 0.0038023 k( 16) = ( 0.1923077 -0.0000000 0.1923077), wk = 0.0038023 k( 17) = ( 0.2051282 -0.0000000 0.2051282), wk = 0.0038023 k( 18) = ( 0.2179487 -0.0000000 0.2179487), wk = 0.0038023 k( 19) = ( 0.2307692 -0.0000000 0.2307692), wk = 0.0038023 k( 20) = ( 0.2435897 -0.0000000 0.2435897), wk = 0.0038023 k( 21) = ( 0.2564103 -0.0000000 0.2564103), wk = 0.0038023 k( 22) = ( 0.2692308 -0.0000000 0.2692308), wk = 0.0038023 k( 23) = ( 0.2820513 0.0000000 0.2820513), wk = 0.0038023 k( 24) = ( 0.2948718 -0.0000000 0.2948718), wk = 0.0038023 k( 25) = ( 0.3076923 0.0000000 0.3076923), wk = 0.0038023 k( 26) = ( 0.3205128 -0.0000000 0.3205128), wk = 0.0038023 k( 27) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0038023 k( 28) = ( 0.3461538 -0.0000000 0.3461538), wk = 0.0038023 k( 29) = ( 0.3589744 -0.0000000 0.3589744), wk = 0.0038023 k( 30) = ( 0.3717949 -0.0000000 0.3717949), wk = 0.0038023 k( 31) = ( 0.3846154 -0.0000000 0.3846154), wk = 0.0038023 k( 32) = ( 0.3974359 -0.0000000 0.3974359), wk = 0.0038023 k( 33) = ( 0.4102564 -0.0000000 0.4102564), wk = 0.0038023 k( 34) = ( 0.4230769 -0.0000000 0.4230769), wk = 0.0038023 k( 35) = ( 0.4358974 -0.0000000 0.4358974), wk = 0.0038023 k( 36) = ( 0.4487179 0.0000000 0.4487179), wk = 0.0038023 k( 37) = ( 0.4615385 -0.0000000 0.4615385), wk = 0.0038023 k( 38) = ( 0.4743590 -0.0000000 0.4743590), wk = 0.0038023 k( 39) = ( 0.4871795 -0.0000000 0.4871795), wk = 0.0038023 k( 40) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0038023 k( 41) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0038023 k( 42) = ( 0.5000000 0.0125000 0.5125000), wk = 0.0038023 k( 43) = ( 0.5000000 0.0250000 0.5250000), wk = 0.0038023 k( 44) = ( 0.5000000 0.0375000 0.5375000), wk = 0.0038023 k( 45) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0038023 k( 46) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0038023 k( 47) = ( 0.5000000 0.0750000 0.5750000), wk = 0.0038023 k( 48) = ( 0.5000000 0.0875000 0.5875000), wk = 0.0038023 k( 49) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0038023 k( 50) = ( 0.5000000 0.1125000 0.6125000), wk = 0.0038023 k( 51) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0038023 k( 52) = ( 0.5000000 0.1375000 0.6375000), wk = 0.0038023 k( 53) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0038023 k( 54) = ( 0.5000000 0.1625000 0.6625000), wk = 0.0038023 k( 55) = ( 0.5000000 0.1750000 0.6750000), wk = 0.0038023 k( 56) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0038023 k( 57) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0038023 k( 58) = ( 0.5000000 0.2125000 0.7125000), wk = 0.0038023 k( 59) = ( 0.5000000 0.2250000 0.7250000), wk = 0.0038023 k( 60) = ( 0.5000000 0.2375000 0.7375000), wk = 0.0038023 k( 61) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0038023 k( 62) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0038023 k( 63) = ( 0.4910714 0.2589286 0.7500000), wk = 0.0038023 k( 64) = ( 0.4821429 0.2678571 0.7500000), wk = 0.0038023 k( 65) = ( 0.4732143 0.2767857 0.7500000), wk = 0.0038023 k( 66) = ( 0.4642857 0.2857143 0.7500000), wk = 0.0038023 k( 67) = ( 0.4553571 0.2946429 0.7500000), wk = 0.0038023 k( 68) = ( 0.4464286 0.3035714 0.7500000), wk = 0.0038023 k( 69) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0038023 k( 70) = ( 0.4285714 0.3214286 0.7500000), wk = 0.0038023 k( 71) = ( 0.4196429 0.3303571 0.7500000), wk = 0.0038023 k( 72) = ( 0.4107143 0.3392857 0.7500000), wk = 0.0038023 k( 73) = ( 0.4017857 0.3482143 0.7500000), wk = 0.0038023 k( 74) = ( 0.3928571 0.3571429 0.7500000), wk = 0.0038023 k( 75) = ( 0.3839286 0.3660714 0.7500000), wk = 0.0038023 k( 76) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0038023 k( 77) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0038023 k( 78) = ( 0.3660714 0.3660714 0.7321429), wk = 0.0038023 k( 79) = ( 0.3571429 0.3571429 0.7142857), wk = 0.0038023 k( 80) = ( 0.3482143 0.3482143 0.6964286), wk = 0.0038023 k( 81) = ( 0.3392857 0.3392857 0.6785714), wk = 0.0038023 k( 82) = ( 0.3303571 0.3303571 0.6607143), wk = 0.0038023 k( 83) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0038023 k( 84) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0038023 k( 85) = ( 0.3035714 0.3035714 0.6071429), wk = 0.0038023 k( 86) = ( 0.2946429 0.2946429 0.5892857), wk = 0.0038023 k( 87) = ( 0.2857143 0.2857143 0.5714286), wk = 0.0038023 k( 88) = ( 0.2767857 0.2767857 0.5535714), wk = 0.0038023 k( 89) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0038023 k( 90) = ( 0.2589286 0.2589286 0.5178571), wk = 0.0038023 k( 91) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0038023 k( 92) = ( 0.2410714 0.2410714 0.4821429), wk = 0.0038023 k( 93) = ( 0.2321429 0.2321429 0.4642857), wk = 0.0038023 k( 94) = ( 0.2232143 0.2232143 0.4464286), wk = 0.0038023 k( 95) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0038023 k( 96) = ( 0.2053571 0.2053571 0.4107143), wk = 0.0038023 k( 97) = ( 0.1964286 0.1964286 0.3928571), wk = 0.0038023 k( 98) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0038023 k( 99) = ( 0.1785714 0.1785714 0.3571429), wk = 0.0038023 k( 100) = ( 0.1696429 0.1696429 0.3392857), wk = 0.0038023 k( 101) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0038023 k( 102) = ( 0.1517857 0.1517857 0.3035714), wk = 0.0038023 k( 103) = ( 0.1428571 0.1428571 0.2857143), wk = 0.0038023 k( 104) = ( 0.1339286 0.1339286 0.2678571), wk = 0.0038023 k( 105) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0038023 k( 106) = ( 0.1160714 0.1160714 0.2321429), wk = 0.0038023 k( 107) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0038023 k( 108) = ( 0.0982143 0.0982143 0.1964286), wk = 0.0038023 k( 109) = ( 0.0892857 0.0892857 0.1785714), wk = 0.0038023 k( 110) = ( 0.0803571 0.0803571 0.1607143), wk = 0.0038023 k( 111) = ( 0.0714286 0.0714286 0.1428571), wk = 0.0038023 k( 112) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0038023 k( 113) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0038023 k( 114) = ( 0.0446429 0.0446429 0.0892857), wk = 0.0038023 k( 115) = ( 0.0357143 0.0357143 0.0714286), wk = 0.0038023 k( 116) = ( 0.0267857 0.0267857 0.0535714), wk = 0.0038023 k( 117) = ( 0.0178571 0.0178571 0.0357143), wk = 0.0038023 k( 118) = ( 0.0089286 0.0089286 0.0178571), wk = 0.0038023 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 121) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0038023 k( 122) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0038023 k( 123) = ( 0.0441177 0.0441177 0.0441176), wk = 0.0038023 k( 124) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0038023 k( 125) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0038023 k( 126) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0038023 k( 127) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0038023 k( 128) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0038023 k( 129) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0038023 k( 130) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0038023 k( 131) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0038023 k( 132) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0038023 k( 133) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0038023 k( 134) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0038023 k( 135) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0038023 k( 136) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0038023 k( 137) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038023 k( 138) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0038023 k( 139) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0038023 k( 140) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0038023 k( 141) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0038023 k( 142) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0038023 k( 143) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0038023 k( 144) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0038023 k( 145) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0038023 k( 146) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0038023 k( 147) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0038023 k( 148) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0038023 k( 149) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0038023 k( 150) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0038023 k( 151) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0038023 k( 152) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0038023 k( 153) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0038023 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 k( 155) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 k( 156) = ( 0.5052083 0.4895833 0.5052083), wk = 0.0038023 k( 157) = ( 0.5104167 0.4791667 0.5104167), wk = 0.0038023 k( 158) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0038023 k( 159) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0038023 k( 160) = ( 0.5260417 0.4479167 0.5260417), wk = 0.0038023 k( 161) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0038023 k( 162) = ( 0.5364583 0.4270833 0.5364583), wk = 0.0038023 k( 163) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0038023 k( 164) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0038023 k( 165) = ( 0.5520833 0.3958333 0.5520833), wk = 0.0038023 k( 166) = ( 0.5572917 0.3854167 0.5572917), wk = 0.0038023 k( 167) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0038023 k( 168) = ( 0.5677083 0.3645833 0.5677083), wk = 0.0038023 k( 169) = ( 0.5729167 0.3541667 0.5729167), wk = 0.0038023 k( 170) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0038023 k( 171) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0038023 k( 172) = ( 0.5885417 0.3229167 0.5885417), wk = 0.0038023 k( 173) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0038023 k( 174) = ( 0.5989583 0.3020833 0.5989583), wk = 0.0038023 k( 175) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0038023 k( 176) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0038023 k( 177) = ( 0.6145833 0.2708333 0.6145833), wk = 0.0038023 k( 178) = ( 0.6197917 0.2604167 0.6197917), wk = 0.0038023 k( 179) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0038023 k( 180) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0038023 k( 181) = ( 0.6160714 0.2500000 0.6339286), wk = 0.0038023 k( 182) = ( 0.6071429 0.2500000 0.6428571), wk = 0.0038023 k( 183) = ( 0.5982143 0.2500000 0.6517857), wk = 0.0038023 k( 184) = ( 0.5892857 0.2500000 0.6607143), wk = 0.0038023 k( 185) = ( 0.5803571 0.2500000 0.6696429), wk = 0.0038023 k( 186) = ( 0.5714286 0.2500000 0.6785714), wk = 0.0038023 k( 187) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0038023 k( 188) = ( 0.5535714 0.2500000 0.6964286), wk = 0.0038023 k( 189) = ( 0.5446429 0.2500000 0.7053571), wk = 0.0038023 k( 190) = ( 0.5357143 0.2500000 0.7142857), wk = 0.0038023 k( 191) = ( 0.5267857 0.2500000 0.7232143), wk = 0.0038023 k( 192) = ( 0.5178571 0.2500000 0.7321429), wk = 0.0038023 k( 193) = ( 0.5089286 0.2500000 0.7410714), wk = 0.0038023 k( 194) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0038023 k( 195) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0038023 k( 196) = ( 0.5000000 0.2589286 0.7410714), wk = 0.0038023 k( 197) = ( 0.5000000 0.2678571 0.7321429), wk = 0.0038023 k( 198) = ( 0.5000000 0.2767857 0.7232143), wk = 0.0038023 k( 199) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0038023 k( 200) = ( 0.5000000 0.2946429 0.7053571), wk = 0.0038023 k( 201) = ( 0.5000000 0.3035714 0.6964286), wk = 0.0038023 k( 202) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0038023 k( 203) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0038023 k( 204) = ( 0.5000000 0.3303571 0.6696429), wk = 0.0038023 k( 205) = ( 0.5000000 0.3392857 0.6607143), wk = 0.0038023 k( 206) = ( 0.5000000 0.3482143 0.6517857), wk = 0.0038023 k( 207) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0038023 k( 208) = ( 0.5000000 0.3660714 0.6339286), wk = 0.0038023 k( 209) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0038023 k( 210) = ( 0.5000000 0.3839286 0.6160714), wk = 0.0038023 k( 211) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0038023 k( 212) = ( 0.5000000 0.4017857 0.5982143), wk = 0.0038023 k( 213) = ( 0.5000000 0.4107143 0.5892857), wk = 0.0038023 k( 214) = ( 0.5000000 0.4196429 0.5803571), wk = 0.0038023 k( 215) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0038023 k( 216) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0038023 k( 217) = ( 0.5000000 0.4464286 0.5535714), wk = 0.0038023 k( 218) = ( 0.5000000 0.4553571 0.5446429), wk = 0.0038023 k( 219) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0038023 k( 220) = ( 0.5000000 0.4732143 0.5267857), wk = 0.0038023 k( 221) = ( 0.5000000 0.4821429 0.5178571), wk = 0.0038023 k( 222) = ( 0.5000000 0.4910714 0.5089286), wk = 0.0038023 k( 223) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 k( 224) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 k( 225) = ( 0.4947917 0.4947917 0.5104167), wk = 0.0038023 k( 226) = ( 0.4895833 0.4895833 0.5208333), wk = 0.0038023 k( 227) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0038023 k( 228) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0038023 k( 229) = ( 0.4739583 0.4739583 0.5520833), wk = 0.0038023 k( 230) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0038023 k( 231) = ( 0.4635417 0.4635417 0.5729167), wk = 0.0038023 k( 232) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0038023 k( 233) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0038023 k( 234) = ( 0.4479167 0.4479167 0.6041667), wk = 0.0038023 k( 235) = ( 0.4427083 0.4427083 0.6145833), wk = 0.0038023 k( 236) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0038023 k( 237) = ( 0.4322917 0.4322917 0.6354167), wk = 0.0038023 k( 238) = ( 0.4270833 0.4270833 0.6458333), wk = 0.0038023 k( 239) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0038023 k( 240) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0038023 k( 241) = ( 0.4114583 0.4114583 0.6770833), wk = 0.0038023 k( 242) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0038023 k( 243) = ( 0.4010417 0.4010417 0.6979167), wk = 0.0038023 k( 244) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0038023 k( 245) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0038023 k( 246) = ( 0.3854167 0.3854167 0.7291667), wk = 0.0038023 k( 247) = ( 0.3802083 0.3802083 0.7395833), wk = 0.0038023 k( 248) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0038023 k( 249) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0038023 k( 250) = ( 0.6160714 0.2321429 0.6160714), wk = 0.0038023 k( 251) = ( 0.6071429 0.2142857 0.6071429), wk = 0.0038023 k( 252) = ( 0.5982143 0.1964286 0.5982143), wk = 0.0038023 k( 253) = ( 0.5892857 0.1785714 0.5892857), wk = 0.0038023 k( 254) = ( 0.5803571 0.1607143 0.5803571), wk = 0.0038023 k( 255) = ( 0.5714286 0.1428571 0.5714286), wk = 0.0038023 k( 256) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0038023 k( 257) = ( 0.5535714 0.1071429 0.5535714), wk = 0.0038023 k( 258) = ( 0.5446429 0.0892857 0.5446429), wk = 0.0038023 k( 259) = ( 0.5357143 0.0714286 0.5357143), wk = 0.0038023 k( 260) = ( 0.5267857 0.0535714 0.5267857), wk = 0.0038023 k( 261) = ( 0.5178571 0.0357143 0.5178571), wk = 0.0038023 k( 262) = ( 0.5089286 0.0178571 0.5089286), wk = 0.0038023 k( 263) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0038023 Dense grid: 87843 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 86547 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.55 Mb ( 620, 58) NL pseudopotentials 1.17 Mb ( 310, 248) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2441) G-vector shells 0.00 Mb ( 567) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.19 Mb ( 620, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.44 Mb ( 248, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CsAlO2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.8 secs Computing kpt #: 3 total cpu time spent up to now is 6.5 secs Computing kpt #: 4 total cpu time spent up to now is 8.1 secs Computing kpt #: 5 total cpu time spent up to now is 9.6 secs Computing kpt #: 6 total cpu time spent up to now is 11.2 secs Computing kpt #: 7 total cpu time spent up to now is 12.7 secs Computing kpt #: 8 total cpu time spent up to now is 14.5 secs Computing kpt #: 9 total cpu time spent up to now is 16.0 secs Computing kpt #: 10 total cpu time spent up to now is 17.6 secs Computing kpt #: 11 total cpu time spent up to now is 19.1 secs Computing kpt #: 12 total cpu time spent up to now is 20.7 secs Computing kpt #: 13 total cpu time spent up to now is 22.2 secs Computing kpt #: 14 total cpu time spent up to now is 23.8 secs Computing kpt #: 15 total cpu time spent up to now is 25.4 secs Computing kpt #: 16 total cpu time spent up to now is 27.0 secs Computing kpt #: 17 total cpu time spent up to now is 28.5 secs Computing kpt #: 18 total cpu time spent up to now is 30.1 secs Computing kpt #: 19 total cpu time spent up to now is 31.7 secs Computing kpt #: 20 total cpu time spent up to now is 33.5 secs Computing kpt #: 21 total cpu time spent up to now is 35.3 secs Computing kpt #: 22 total cpu time spent up to now is 37.2 secs Computing kpt #: 23 total cpu time spent up to now is 39.0 secs Computing kpt #: 24 total cpu time spent up to now is 40.9 secs Computing kpt #: 25 total cpu time spent up to now is 42.7 secs Computing kpt #: 26 total cpu time spent up to now is 44.6 secs Computing kpt #: 27 total cpu time spent up to now is 46.8 secs Computing kpt #: 28 total cpu time spent up to now is 48.6 secs Computing kpt #: 29 total cpu time spent up to now is 50.5 secs Computing kpt #: 30 total cpu time spent up to now is 52.3 secs Computing kpt #: 31 total cpu time spent up to now is 54.2 secs Computing kpt #: 32 total cpu time spent up to now is 56.0 secs Computing kpt #: 33 total cpu time spent up to now is 57.9 secs Computing kpt #: 34 total cpu time spent up to now is 59.8 secs Computing kpt #: 35 total cpu time spent up to now is 61.8 secs Computing kpt #: 36 total cpu time spent up to now is 64.1 secs Computing kpt #: 37 total cpu time spent up to now is 66.0 secs Computing kpt #: 38 total cpu time spent up to now is 68.6 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 71.6 secs Computing kpt #: 40 total cpu time spent up to now is 73.4 secs Computing kpt #: 41 total cpu time spent up to now is 75.3 secs Computing kpt #: 42 total cpu time spent up to now is 77.5 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 80.6 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 83.6 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 86.8 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.8 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 93.0 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.2 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 99.4 secs Computing kpt #: 50 total cpu time spent up to now is 101.7 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 104.8 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 108.0 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 111.1 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 114.3 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 117.5 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 121.1 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 124.3 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 127.5 secs Computing kpt #: 59 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 130.7 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 133.9 secs Computing kpt #: 61 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 137.1 secs Computing kpt #: 62 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 140.2 secs Computing kpt #: 63 total cpu time spent up to now is 142.5 secs Computing kpt #: 64 total cpu time spent up to now is 144.4 secs Computing kpt #: 65 total cpu time spent up to now is 146.2 secs Computing kpt #: 66 total cpu time spent up to now is 148.1 secs Computing kpt #: 67 total cpu time spent up to now is 150.0 secs Computing kpt #: 68 total cpu time spent up to now is 151.8 secs Computing kpt #: 69 total cpu time spent up to now is 153.5 secs Computing kpt #: 70 total cpu time spent up to now is 155.1 secs Computing kpt #: 71 total cpu time spent up to now is 156.6 secs Computing kpt #: 72 total cpu time spent up to now is 158.2 secs Computing kpt #: 73 total cpu time spent up to now is 159.7 secs Computing kpt #: 74 total cpu time spent up to now is 161.2 secs Computing kpt #: 75 total cpu time spent up to now is 162.7 secs Computing kpt #: 76 total cpu time spent up to now is 164.0 secs Computing kpt #: 77 total cpu time spent up to now is 165.5 secs Computing kpt #: 78 total cpu time spent up to now is 166.9 secs Computing kpt #: 79 total cpu time spent up to now is 168.4 secs Computing kpt #: 80 total cpu time spent up to now is 169.7 secs Computing kpt #: 81 total cpu time spent up to now is 171.0 secs Computing kpt #: 82 total cpu time spent up to now is 172.2 secs Computing kpt #: 83 total cpu time spent up to now is 173.7 secs Computing kpt #: 84 total cpu time spent up to now is 175.1 secs Computing kpt #: 85 total cpu time spent up to now is 186.3 secs Computing kpt #: 86 total cpu time spent up to now is 187.7 secs Computing kpt #: 87 total cpu time spent up to now is 189.2 secs Computing kpt #: 88 total cpu time spent up to now is 190.6 secs Computing kpt #: 89 total cpu time spent up to now is 192.0 secs Computing kpt #: 90 total cpu time spent up to now is 193.5 secs Computing kpt #: 91 total cpu time spent up to now is 194.9 secs Computing kpt #: 92 total cpu time spent up to now is 196.4 secs Computing kpt #: 93 total cpu time spent up to now is 197.9 secs Computing kpt #: 94 total cpu time spent up to now is 199.5 secs Computing kpt #: 95 total cpu time spent up to now is 201.2 secs Computing kpt #: 96 total cpu time spent up to now is 203.1 secs Computing kpt #: 97 total cpu time spent up to now is 219.0 secs Computing kpt #: 98 total cpu time spent up to now is 377.0 secs Computing kpt #: 99 total cpu time spent up to now is 378.8 secs Computing kpt #: 100 total cpu time spent up to now is 380.6 secs Computing kpt #: 101 total cpu time spent up to now is 382.9 secs Computing kpt #: 102 total cpu time spent up to now is 385.2 secs Computing kpt #: 103 total cpu time spent up to now is 386.8 secs Computing kpt #: 104 total cpu time spent up to now is 388.4 secs Computing kpt #: 105 total cpu time spent up to now is 390.7 secs Computing kpt #: 106 total cpu time spent up to now is 392.5 secs Computing kpt #: 107 total cpu time spent up to now is 394.1 secs Computing kpt #: 108 total cpu time spent up to now is 395.7 secs Computing kpt #: 109 total cpu time spent up to now is 397.3 secs Computing kpt #: 110 total cpu time spent up to now is 398.9 secs Computing kpt #: 111 total cpu time spent up to now is 400.5 secs Computing kpt #: 112 total cpu time spent up to now is 402.2 secs Computing kpt #: 113 total cpu time spent up to now is 403.8 secs Computing kpt #: 114 total cpu time spent up to now is 405.4 secs Computing kpt #: 115 total cpu time spent up to now is 407.2 secs Computing kpt #: 116 total cpu time spent up to now is 408.7 secs Computing kpt #: 117 total cpu time spent up to now is 410.5 secs Computing kpt #: 118 total cpu time spent up to now is 411.9 secs Computing kpt #: 119 total cpu time spent up to now is 413.3 secs Computing kpt #: 120 total cpu time spent up to now is 414.6 secs Computing kpt #: 121 total cpu time spent up to now is 416.0 secs Computing kpt #: 122 total cpu time spent up to now is 417.3 secs Computing kpt #: 123 total cpu time spent up to now is 419.2 secs Computing kpt #: 124 total cpu time spent up to now is 420.7 secs Computing kpt #: 125 total cpu time spent up to now is 422.2 secs Computing kpt #: 126 total cpu time spent up to now is 423.7 secs Computing kpt #: 127 total cpu time spent up to now is 425.3 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 428.3 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 431.4 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 434.5 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 437.6 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 440.6 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 443.7 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 446.9 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 449.9 secs Computing kpt #: 136 total cpu time spent up to now is 451.6 secs Computing kpt #: 137 total cpu time spent up to now is 453.1 secs Computing kpt #: 138 total cpu time spent up to now is 454.6 secs Computing kpt #: 139 total cpu time spent up to now is 456.2 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 459.2 secs Computing kpt #: 141 total cpu time spent up to now is 461.0 secs Computing kpt #: 142 total cpu time spent up to now is 462.8 secs Computing kpt #: 143 total cpu time spent up to now is 464.6 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 467.6 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 470.7 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 473.7 secs Computing kpt #: 147 total cpu time spent up to now is 476.0 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 479.1 secs Computing kpt #: 149 total cpu time spent up to now is 481.1 secs Computing kpt #: 150 total cpu time spent up to now is 482.7 secs Computing kpt #: 151 total cpu time spent up to now is 484.4 secs Computing kpt #: 152 total cpu time spent up to now is 486.0 secs Computing kpt #: 153 total cpu time spent up to now is 487.6 secs Computing kpt #: 154 total cpu time spent up to now is 489.3 secs Computing kpt #: 155 total cpu time spent up to now is 490.9 secs Computing kpt #: 156 total cpu time spent up to now is 492.5 secs Computing kpt #: 157 total cpu time spent up to now is 494.2 secs Computing kpt #: 158 total cpu time spent up to now is 495.8 secs Computing kpt #: 159 total cpu time spent up to now is 497.4 secs Computing kpt #: 160 total cpu time spent up to now is 499.0 secs Computing kpt #: 161 total cpu time spent up to now is 500.6 secs Computing kpt #: 162 total cpu time spent up to now is 502.3 secs Computing kpt #: 163 total cpu time spent up to now is 503.9 secs Computing kpt #: 164 total cpu time spent up to now is 505.5 secs Computing kpt #: 165 total cpu time spent up to now is 507.2 secs Computing kpt #: 166 total cpu time spent up to now is 508.8 secs Computing kpt #: 167 total cpu time spent up to now is 510.5 secs Computing kpt #: 168 total cpu time spent up to now is 512.4 secs Computing kpt #: 169 total cpu time spent up to now is 514.2 secs Computing kpt #: 170 total cpu time spent up to now is 517.2 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 520.4 secs Computing kpt #: 172 total cpu time spent up to now is 522.5 secs Computing kpt #: 173 total cpu time spent up to now is 524.0 secs Computing kpt #: 174 total cpu time spent up to now is 525.6 secs Computing kpt #: 175 total cpu time spent up to now is 526.9 secs Computing kpt #: 176 total cpu time spent up to now is 528.9 secs Computing kpt #: 177 total cpu time spent up to now is 530.4 secs Computing kpt #: 178 total cpu time spent up to now is 531.8 secs Computing kpt #: 179 total cpu time spent up to now is 533.4 secs Computing kpt #: 180 total cpu time spent up to now is 534.7 secs Computing kpt #: 181 total cpu time spent up to now is 536.2 secs Computing kpt #: 182 total cpu time spent up to now is 537.7 secs Computing kpt #: 183 total cpu time spent up to now is 539.3 secs Computing kpt #: 184 total cpu time spent up to now is 540.8 secs Computing kpt #: 185 total cpu time spent up to now is 542.4 secs Computing kpt #: 186 total cpu time spent up to now is 544.0 secs Computing kpt #: 187 total cpu time spent up to now is 545.5 secs Computing kpt #: 188 total cpu time spent up to now is 547.2 secs Computing kpt #: 189 total cpu time spent up to now is 549.0 secs Computing kpt #: 190 total cpu time spent up to now is 551.0 secs Computing kpt #: 191 total cpu time spent up to now is 552.8 secs Computing kpt #: 192 total cpu time spent up to now is 554.8 secs Computing kpt #: 193 total cpu time spent up to now is 557.0 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 560.1 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 563.3 secs Computing kpt #: 196 total cpu time spent up to now is 565.6 secs Computing kpt #: 197 total cpu time spent up to now is 567.5 secs Computing kpt #: 198 total cpu time spent up to now is 569.4 secs Computing kpt #: 199 total cpu time spent up to now is 571.8 secs Computing kpt #: 200 total cpu time spent up to now is 574.8 secs Computing kpt #: 201 total cpu time spent up to now is 578.0 secs Computing kpt #: 202 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 581.2 secs Computing kpt #: 203 total cpu time spent up to now is 583.2 secs Computing kpt #: 204 total cpu time spent up to now is 584.8 secs Computing kpt #: 205 total cpu time spent up to now is 586.7 secs Computing kpt #: 206 total cpu time spent up to now is 588.3 secs Computing kpt #: 207 total cpu time spent up to now is 590.0 secs Computing kpt #: 208 total cpu time spent up to now is 591.5 secs Computing kpt #: 209 total cpu time spent up to now is 593.1 secs Computing kpt #: 210 total cpu time spent up to now is 594.7 secs Computing kpt #: 211 total cpu time spent up to now is 596.3 secs Computing kpt #: 212 total cpu time spent up to now is 597.9 secs Computing kpt #: 213 total cpu time spent up to now is 599.5 secs Computing kpt #: 214 total cpu time spent up to now is 601.0 secs Computing kpt #: 215 total cpu time spent up to now is 602.6 secs Computing kpt #: 216 total cpu time spent up to now is 604.3 secs Computing kpt #: 217 total cpu time spent up to now is 605.9 secs Computing kpt #: 218 total cpu time spent up to now is 607.5 secs Computing kpt #: 219 total cpu time spent up to now is 609.1 secs Computing kpt #: 220 total cpu time spent up to now is 610.8 secs Computing kpt #: 221 total cpu time spent up to now is 612.4 secs Computing kpt #: 222 total cpu time spent up to now is 614.0 secs Computing kpt #: 223 total cpu time spent up to now is 615.6 secs Computing kpt #: 224 total cpu time spent up to now is 617.3 secs Computing kpt #: 225 total cpu time spent up to now is 618.9 secs Computing kpt #: 226 total cpu time spent up to now is 620.5 secs Computing kpt #: 227 total cpu time spent up to now is 622.1 secs Computing kpt #: 228 total cpu time spent up to now is 623.7 secs Computing kpt #: 229 total cpu time spent up to now is 625.4 secs Computing kpt #: 230 total cpu time spent up to now is 627.0 secs Computing kpt #: 231 total cpu time spent up to now is 628.6 secs Computing kpt #: 232 total cpu time spent up to now is 630.3 secs Computing kpt #: 233 total cpu time spent up to now is 631.9 secs Computing kpt #: 234 total cpu time spent up to now is 633.5 secs Computing kpt #: 235 total cpu time spent up to now is 635.2 secs Computing kpt #: 236 total cpu time spent up to now is 636.8 secs Computing kpt #: 237 total cpu time spent up to now is 638.5 secs Computing kpt #: 238 total cpu time spent up to now is 640.3 secs Computing kpt #: 239 total cpu time spent up to now is 642.9 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 646.1 secs Computing kpt #: 241 total cpu time spent up to now is 648.0 secs Computing kpt #: 242 total cpu time spent up to now is 649.5 secs Computing kpt #: 243 total cpu time spent up to now is 651.1 secs Computing kpt #: 244 total cpu time spent up to now is 652.6 secs Computing kpt #: 245 total cpu time spent up to now is 654.1 secs Computing kpt #: 246 total cpu time spent up to now is 655.5 secs Computing kpt #: 247 total cpu time spent up to now is 656.8 secs Computing kpt #: 248 total cpu time spent up to now is 658.3 secs Computing kpt #: 249 total cpu time spent up to now is 659.7 secs Computing kpt #: 250 total cpu time spent up to now is 661.0 secs Computing kpt #: 251 total cpu time spent up to now is 662.6 secs Computing kpt #: 252 total cpu time spent up to now is 664.0 secs Computing kpt #: 253 total cpu time spent up to now is 665.8 secs Computing kpt #: 254 total cpu time spent up to now is 667.4 secs Computing kpt #: 255 total cpu time spent up to now is 669.3 secs Computing kpt #: 256 total cpu time spent up to now is 672.2 secs Computing kpt #: 257 total cpu time spent up to now is 675.1 secs Computing kpt #: 258 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 678.2 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 681.3 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 684.4 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 687.6 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 690.7 secs Computing kpt #: 263 total cpu time spent up to now is 692.5 secs ethr = 2.08E-08, avg # of iterations = 52.3 total cpu time spent up to now is 692.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10849 PWs) bands (ev): -13.0235 -13.0235 -12.1111 -12.1111 -10.5055 -10.5055 -9.5552 -9.5552 -9.5517 -9.5517 -9.5517 -9.5517 -1.9061 -1.9061 -1.0366 -1.0366 -0.5644 -0.5644 -0.5644 -0.5644 0.2728 0.2728 0.2728 0.2728 0.3122 0.3122 3.1472 3.1472 3.3204 3.3204 3.3204 3.3204 4.2960 4.2960 4.2960 4.2960 5.4261 5.4261 5.5881 5.5881 5.5881 5.5881 6.5044 6.5044 6.5216 6.5216 6.5216 6.5216 11.3720 11.3720 12.3540 12.3540 12.3595 12.3595 12.3595 12.3595 13.3427 13.3427 k = 0.0128-0.0074 0.0105 ( 10889 PWs) bands (ev): -13.0231 -13.0231 -12.1115 -12.1115 -10.5053 -10.5053 -9.5554 -9.5554 -9.5520 -9.5520 -9.5517 -9.5517 -1.9063 -1.9063 -1.0387 -1.0387 -0.5651 -0.5651 -0.5623 -0.5623 0.2742 0.2742 0.2744 0.2744 0.3136 0.3136 3.1470 3.1470 3.3193 3.3193 3.3204 3.3204 4.2967 4.2967 4.2976 4.2976 5.4251 5.4251 5.5859 5.5859 5.5876 5.5876 6.5033 6.5033 6.5205 6.5205 6.5205 6.5205 11.3764 11.3764 12.3528 12.3528 12.3599 12.3599 12.3624 12.3624 13.3432 13.3461 k = 0.0256-0.0148 0.0209 ( 10901 PWs) bands (ev): -13.0218 -13.0218 -12.1126 -12.1126 -10.5049 -10.5049 -9.5563 -9.5563 -9.5528 -9.5528 -9.5518 -9.5518 -1.9067 -1.9067 -1.0452 -1.0452 -0.5673 -0.5673 -0.5561 -0.5561 0.2784 0.2784 0.2790 0.2790 0.3177 0.3177 3.1462 3.1462 3.3161 3.3161 3.3201 3.3201 4.2991 4.2991 4.3024 4.3024 5.4219 5.4219 5.5797 5.5797 5.5864 5.5864 6.5001 6.5001 6.5172 6.5172 6.5173 6.5173 11.3895 11.3895 12.3426 12.3426 12.3678 12.3678 12.3709 12.3709 13.3446 13.3447 k = 0.0385-0.0222 0.0314 ( 10897 PWs) bands (ev): -13.0197 -13.0197 -12.1144 -12.1144 -10.5042 -10.5042 -9.5582 -9.5582 -9.5536 -9.5536 -9.5520 -9.5520 -1.9073 -1.9073 -1.0555 -1.0555 -0.5708 -0.5708 -0.5462 -0.5462 0.2853 0.2853 0.2866 0.2866 0.3247 0.3247 3.1449 3.1449 3.3109 3.3109 3.3198 3.3198 4.3029 4.3029 4.3104 4.3104 5.4162 5.4162 5.5697 5.5697 5.5843 5.5843 6.4947 6.4947 6.5118 6.5118 6.5120 6.5120 11.4111 11.4111 12.3247 12.3247 12.3820 12.3820 12.3850 12.3850 13.3469 13.3469 k = 0.0513-0.0296 0.0419 ( 10897 PWs) bands (ev): -13.0168 -13.0168 -12.1170 -12.1170 -10.5031 -10.5031 -9.5616 -9.5616 -9.5541 -9.5541 -9.5522 -9.5522 -1.9082 -1.9082 -1.0692 -1.0692 -0.5756 -0.5756 -0.5332 -0.5332 0.2948 0.2948 0.2969 0.2969 0.3345 0.3345 3.1427 3.1427 3.3039 3.3039 3.3194 3.3194 4.3083 4.3083 4.3215 4.3215 5.4078 5.4078 5.5565 5.5565 5.5814 5.5814 6.4873 6.4873 6.5043 6.5043 6.5046 6.5046 11.4411 11.4411 12.3003 12.3003 12.4018 12.4018 12.4045 12.4045 13.3501 13.3501 k = 0.0641-0.0370 0.0523 ( 10889 PWs) bands (ev): -13.0130 -13.0130 -12.1203 -12.1203 -10.5018 -10.5018 -9.5661 -9.5661 -9.5545 -9.5545 -9.5524 -9.5524 -1.9092 -1.9092 -1.0857 -1.0857 -0.5813 -0.5813 -0.5175 -0.5175 0.3068 0.3068 0.3096 0.3096 0.3472 0.3472 3.1394 3.1394 3.2957 3.2957 3.3188 3.3188 4.3153 4.3153 4.3356 4.3356 5.3958 5.3958 5.5412 5.5412 5.5776 5.5776 6.4779 6.4779 6.4949 6.4949 6.4951 6.4951 11.4792 11.4792 12.2702 12.2702 12.4269 12.4269 12.4291 12.4291 13.3543 13.3543 k = 0.0769-0.0444 0.0628 ( 10897 PWs) bands (ev): -13.0085 -13.0085 -12.1243 -12.1243 -10.5001 -10.5001 -9.5717 -9.5717 -9.5549 -9.5549 -9.5528 -9.5528 -1.9104 -1.9104 -1.1044 -1.1044 -0.5878 -0.5878 -0.4998 -0.4998 0.3212 0.3212 0.3246 0.3246 0.3627 0.3627 3.1345 3.1345 3.2866 3.2866 3.3183 3.3183 4.3238 4.3238 4.3525 4.3525 5.3796 5.3796 5.5248 5.5248 5.5730 5.5730 6.4666 6.4666 6.4835 6.4835 6.4837 6.4837 11.5250 11.5250 12.2350 12.2350 12.4569 12.4569 12.4586 12.4586 13.3595 13.3595 k = 0.0897-0.0518 0.0733 ( 10881 PWs) bands (ev): -13.0031 -13.0031 -12.1290 -12.1290 -10.4981 -10.4981 -9.5784 -9.5784 -9.5553 -9.5553 -9.5531 -9.5531 -1.9117 -1.9117 -1.1249 -1.1249 -0.5949 -0.5949 -0.4805 -0.4805 0.3378 0.3378 0.3414 0.3414 0.3809 0.3809 3.1274 3.1274 3.2775 3.2775 3.3178 3.3178 4.3338 4.3338 4.3719 4.3719 5.3585 5.3585 5.5084 5.5084 5.5676 5.5676 6.4534 6.4534 6.4704 6.4704 6.4705 6.4705 11.5780 11.5780 12.1955 12.1955 12.4914 12.4914 12.4925 12.4925 13.3656 13.3656 k = 0.1026-0.0592 0.0837 ( 10861 PWs) bands (ev): -12.9970 -12.9970 -12.1344 -12.1344 -10.4957 -10.4957 -9.5861 -9.5861 -9.5557 -9.5557 -9.5536 -9.5536 -1.9130 -1.9130 -1.1466 -1.1466 -0.6022 -0.6022 -0.4601 -0.4601 0.3565 0.3565 0.3599 0.3599 0.4019 0.4019 3.1175 3.1175 3.2692 3.2692 3.3173 3.3173 4.3453 4.3453 4.3937 4.3937 5.3320 5.3320 5.4928 5.4928 5.5614 5.5614 6.4386 6.4386 6.4552 6.4552 6.4559 6.4559 11.6378 11.6378 12.1524 12.1524 12.5297 12.5297 12.5303 12.5303 13.3727 13.3727 k = 0.1154-0.0666 0.0942 ( 10854 PWs) bands (ev): -12.9900 -12.9900 -12.1405 -12.1405 -10.4930 -10.4930 -9.5947 -9.5947 -9.5561 -9.5561 -9.5540 -9.5540 -1.9142 -1.9142 -1.1691 -1.1691 -0.6096 -0.6096 -0.4389 -0.4389 0.3770 0.3770 0.3799 0.3799 0.4253 0.4253 3.1040 3.1040 3.2624 3.2624 3.3170 3.3170 4.3583 4.3583 4.4177 4.4177 5.3003 5.3003 5.4784 5.4784 5.5544 5.5544 6.4222 6.4222 6.4383 6.4383 6.4400 6.4400 11.7039 11.7039 12.1064 12.1064 12.5714 12.5714 12.5716 12.5716 13.3808 13.3808 k = 0.1282-0.0740 0.1047 ( 10850 PWs) bands (ev): -12.9823 -12.9823 -12.1472 -12.1472 -10.4899 -10.4899 -9.6044 -9.6044 -9.5566 -9.5566 -9.5546 -9.5546 -1.9154 -1.9154 -1.1923 -1.1923 -0.6168 -0.6168 -0.4174 -0.4174 0.3990 0.3990 0.4013 0.4013 0.4509 0.4509 3.0866 3.0866 3.2578 3.2578 3.3170 3.3170 4.3729 4.3729 4.4434 4.4434 5.2641 5.2641 5.4651 5.4651 5.5466 5.5466 6.4042 6.4042 6.4199 6.4199 6.4228 6.4228 11.7756 11.7756 12.0581 12.0581 12.6155 12.6155 12.6157 12.6157 13.3899 13.3899 k = 0.1410-0.0814 0.1151 ( 10850 PWs) bands (ev): -12.9739 -12.9739 -12.1546 -12.1546 -10.4864 -10.4864 -9.6151 -9.6151 -9.5571 -9.5571 -9.5551 -9.5551 -1.9163 -1.9163 -1.2159 -1.2159 -0.6235 -0.6235 -0.3956 -0.3956 0.4223 0.4223 0.4239 0.4239 0.4786 0.4786 3.0653 3.0653 3.2555 3.2555 3.3172 3.3172 4.3888 4.3888 4.4707 4.4707 5.2240 5.2240 5.4525 5.4525 5.5380 5.5380 6.3846 6.3846 6.4003 6.4003 6.4046 6.4046 11.8525 11.8525 12.0081 12.0081 12.6614 12.6614 12.6616 12.6616 13.4000 13.4000 k = 0.1538-0.0888 0.1256 ( 10842 PWs) bands (ev): -12.9648 -12.9648 -12.1627 -12.1627 -10.4824 -10.4824 -9.6267 -9.6267 -9.5577 -9.5577 -9.5557 -9.5557 -1.9171 -1.9171 -1.2396 -1.2396 -0.6297 -0.6297 -0.3739 -0.3739 0.4467 0.4467 0.4476 0.4476 0.5082 0.5082 3.0403 3.0403 3.2554 3.2554 3.3178 3.3178 4.4063 4.4063 4.4992 4.4992 5.1811 5.1811 5.4404 5.4404 5.5286 5.5286 6.3633 6.3633 6.3798 6.3798 6.3856 6.3856 11.9339 11.9339 11.9570 11.9570 12.7082 12.7082 12.7083 12.7083 13.4112 13.4112 k = 0.1667-0.0962 0.1361 ( 10846 PWs) bands (ev): -12.9549 -12.9549 -12.1713 -12.1713 -10.4781 -10.4781 -9.6393 -9.6393 -9.5583 -9.5583 -9.5564 -9.5564 -1.9175 -1.9175 -1.2633 -1.2633 -0.6351 -0.6351 -0.3525 -0.3525 0.4719 0.4719 0.4722 0.4722 0.5394 0.5394 3.0120 3.0120 3.2574 3.2574 3.3188 3.3188 4.4252 4.4252 4.5286 4.5286 5.1360 5.1360 5.4284 5.4284 5.5184 5.5184 6.3400 6.3400 6.3589 6.3589 6.3659 6.3659 11.9055 11.9055 12.0192 12.0192 12.7544 12.7544 12.7549 12.7549 13.4234 13.4234 k = 0.1795-0.1036 0.1466 ( 10850 PWs) bands (ev): -12.9444 -12.9444 -12.1805 -12.1805 -10.4732 -10.4732 -9.6527 -9.6527 -9.5589 -9.5589 -9.5571 -9.5571 -1.9176 -1.9176 -1.2868 -1.2868 -0.6395 -0.6395 -0.3315 -0.3315 0.4974 0.4974 0.4976 0.4976 0.5723 0.5723 2.9809 2.9809 3.2612 3.2612 3.3204 3.3204 4.4455 4.4455 4.5584 4.5584 5.0896 5.0896 5.4164 5.4164 5.5074 5.5074 6.3147 6.3147 6.3379 6.3379 6.3459 6.3459 11.8541 11.8541 12.1077 12.1077 12.7986 12.7986 12.8002 12.8002 13.4367 13.4367 k = 0.1923-0.1110 0.1570 ( 10854 PWs) bands (ev): -12.9332 -12.9332 -12.1903 -12.1903 -10.4679 -10.4679 -9.6671 -9.6671 -9.5596 -9.5596 -9.5578 -9.5578 -1.9173 -1.9173 -1.3102 -1.3102 -0.6427 -0.6427 -0.3111 -0.3111 0.5231 0.5231 0.5236 0.5236 0.6068 0.6068 2.9472 2.9472 3.2667 3.2667 3.3227 3.3227 4.4672 4.4672 4.5883 4.5883 5.0424 5.0424 5.4042 5.4042 5.4957 5.4957 6.2874 6.2874 6.3170 6.3170 6.3255 6.3255 11.8034 11.8034 12.1986 12.1986 12.8393 12.8393 12.8425 12.8425 13.4510 13.4510 k = 0.2051-0.1184 0.1675 ( 10866 PWs) bands (ev): -12.9214 -12.9214 -12.2007 -12.2007 -10.4621 -10.4621 -9.6822 -9.6822 -9.5602 -9.5602 -9.5585 -9.5585 -1.9165 -1.9165 -1.3332 -1.3332 -0.6448 -0.6448 -0.2915 -0.2915 0.5489 0.5489 0.5496 0.5496 0.6427 0.6427 2.9114 2.9114 3.2737 3.2737 3.3256 3.3256 4.4903 4.4903 4.6179 4.6179 4.9952 4.9952 5.3916 5.3916 5.4832 5.4832 6.2584 6.2584 6.2963 6.2963 6.3051 6.3051 11.7540 11.7540 12.2913 12.2913 12.8749 12.8749 12.8804 12.8804 13.4665 13.4665 k = 0.2179-0.1258 0.1780 ( 10866 PWs) bands (ev): -12.9090 -12.9090 -12.2116 -12.2116 -10.4558 -10.4558 -9.6982 -9.6982 -9.5609 -9.5609 -9.5592 -9.5592 -1.9152 -1.9152 -1.3559 -1.3559 -0.6455 -0.6455 -0.2729 -0.2729 0.5746 0.5746 0.5752 0.5752 0.6801 0.6801 2.8738 2.8738 3.2820 3.2820 3.3294 3.3294 4.5147 4.5147 4.6468 4.6468 4.9484 4.9484 5.3787 5.3787 5.4699 5.4699 6.2277 6.2277 6.2759 6.2759 6.2848 6.2848 11.7065 11.7065 12.3848 12.3848 12.9037 12.9037 12.9119 12.9119 13.4832 13.4832 k = 0.2308-0.1332 0.1884 ( 10866 PWs) bands (ev): -12.8960 -12.8960 -12.2230 -12.2230 -10.4488 -10.4488 -9.7150 -9.7150 -9.5616 -9.5616 -9.5600 -9.5600 -1.9133 -1.9133 -1.3781 -1.3781 -0.6448 -0.6448 -0.2553 -0.2553 0.6000 0.6000 0.6004 0.6004 0.7191 0.7191 2.8345 2.8345 3.2916 3.2916 3.3341 3.3341 4.5404 4.5404 4.6747 4.6747 4.9026 4.9026 5.3654 5.3654 5.4560 5.4560 6.1955 6.1955 6.2558 6.2558 6.2647 6.2647 11.6614 11.6614 12.4780 12.4780 12.9241 12.9241 12.9356 12.9356 13.5010 13.5010 k = 0.2436-0.1406 0.1989 ( 10866 PWs) bands (ev): -12.8825 -12.8825 -12.2349 -12.2349 -10.4414 -10.4414 -9.7325 -9.7325 -9.5623 -9.5623 -9.5607 -9.5607 -1.9109 -1.9109 -1.3999 -1.3999 -0.6426 -0.6426 -0.2390 -0.2390 0.6247 0.6247 0.6248 0.6248 0.7595 0.7595 2.7938 2.7938 3.3023 3.3023 3.3397 3.3397 4.5675 4.5675 4.7011 4.7011 4.8583 4.8583 5.3517 5.3517 5.4413 5.4413 6.1618 6.1618 6.2363 6.2363 6.2450 6.2450 11.6194 11.6194 12.5696 12.5696 12.9349 12.9349 12.9500 12.9500 13.5199 13.5199 k = 0.2564-0.1480 0.2094 ( 10874 PWs) bands (ev): -12.8684 -12.8684 -12.2473 -12.2473 -10.4333 -10.4333 -9.7507 -9.7507 -9.5630 -9.5630 -9.5615 -9.5615 -1.9078 -1.9078 -1.4212 -1.4212 -0.6388 -0.6388 -0.2241 -0.2241 0.6483 0.6483 0.6486 0.6486 0.8013 0.8013 2.7519 2.7519 3.3142 3.3142 3.3463 3.3463 4.5958 4.5958 4.7258 4.7258 4.8160 4.8160 5.3375 5.3375 5.4259 5.4259 6.1268 6.1268 6.2173 6.2173 6.2258 6.2258 11.5809 11.5809 12.6580 12.6580 12.9357 12.9357 12.9543 12.9543 13.5401 13.5401 k = 0.2692-0.1554 0.2198 ( 10874 PWs) bands (ev): -12.8539 -12.8539 -12.2602 -12.2602 -10.4246 -10.4246 -9.7696 -9.7696 -9.5637 -9.5637 -9.5623 -9.5623 -1.9042 -1.9042 -1.4421 -1.4421 -0.6334 -0.6334 -0.2107 -0.2107 0.6706 0.6706 0.6715 0.6715 0.8446 0.8446 2.7089 2.7089 3.3270 3.3270 3.3538 3.3538 4.6254 4.6254 4.7482 4.7482 4.7760 4.7760 5.3230 5.3230 5.4099 5.4099 6.0905 6.0905 6.1991 6.1991 6.2073 6.2073 11.5465 11.5465 12.7408 12.7408 12.9266 12.9266 12.9483 12.9483 13.5614 13.5614 k = 0.2821-0.1628 0.2303 ( 10850 PWs) bands (ev): -12.8390 -12.8390 -12.2735 -12.2735 -10.4153 -10.4153 -9.7891 -9.7891 -9.5643 -9.5643 -9.5630 -9.5630 -1.8999 -1.8999 -1.4624 -1.4624 -0.6264 -0.6264 -0.1991 -0.1991 0.6917 0.6917 0.6931 0.6931 0.8893 0.8893 2.6649 2.6649 3.3407 3.3407 3.3624 3.3624 4.6561 4.6561 4.7388 4.7388 4.7682 4.7682 5.3082 5.3082 5.3933 5.3933 6.0531 6.0531 6.1816 6.1816 6.1896 6.1896 11.5168 11.5168 12.8147 12.8147 12.9084 12.9084 12.9327 12.9327 13.5838 13.5838 k = 0.2949-0.1702 0.2408 ( 10826 PWs) bands (ev): -12.8236 -12.8236 -12.2871 -12.2871 -10.4053 -10.4053 -9.8091 -9.8091 -9.5650 -9.5650 -9.5638 -9.5638 -1.8950 -1.8950 -1.4823 -1.4823 -0.6178 -0.6178 -0.1893 -0.1893 0.7113 0.7113 0.7135 0.7135 0.9354 0.9354 2.6199 2.6199 3.3552 3.3552 3.3720 3.3720 4.6880 4.6880 4.7048 4.7048 4.7854 4.7854 5.2931 5.2931 5.3762 5.3762 6.0147 6.0147 6.1651 6.1651 6.1727 6.1727 11.4920 11.4920 12.8751 12.8751 12.8825 12.8825 12.9088 12.9088 13.6073 13.6073 k = 0.3077-0.1776 0.2512 ( 10826 PWs) bands (ev): -12.8078 -12.8078 -12.3012 -12.3012 -10.3947 -10.3947 -9.8296 -9.8296 -9.5657 -9.5657 -9.5645 -9.5645 -1.8895 -1.8895 -1.5017 -1.5017 -0.6075 -0.6075 -0.1814 -0.1814 0.7295 0.7295 0.7324 0.7324 0.9827 0.9827 2.5741 2.5741 3.3704 3.3704 3.3825 3.3825 4.6742 4.6742 4.7211 4.7211 4.7996 4.7996 5.2779 5.2779 5.3586 5.3586 5.9752 5.9752 6.1495 6.1495 6.1567 6.1567 11.4728 11.4728 12.8507 12.8507 12.8781 12.8781 12.9162 12.9162 13.6319 13.6319 k = 0.3205-0.1850 0.2617 ( 10818 PWs) bands (ev): -12.7917 -12.7917 -12.3157 -12.3157 -10.3834 -10.3834 -9.8505 -9.8505 -9.5663 -9.5663 -9.5652 -9.5652 -1.8833 -1.8833 -1.5206 -1.5206 -0.5957 -0.5957 -0.1757 -0.1757 0.7462 0.7462 0.7499 0.7499 1.0313 1.0313 2.5274 2.5274 3.3860 3.3860 3.3939 3.3939 4.6474 4.6474 4.7552 4.7552 4.8106 4.8106 5.2626 5.2626 5.3407 5.3407 5.9349 5.9349 6.1349 6.1349 6.1416 6.1416 11.4593 11.4593 12.8145 12.8145 12.8424 12.8424 12.9327 12.9327 13.6579 13.6579 k = 0.3333-0.1925 0.2722 ( 10814 PWs) bands (ev): -12.7753 -12.7753 -12.3305 -12.3305 -10.3714 -10.3714 -9.8718 -9.8718 -9.5669 -9.5669 -9.5659 -9.5659 -1.8765 -1.8765 -1.5390 -1.5390 -0.5823 -0.5823 -0.1721 -0.1721 0.7613 0.7613 0.7658 0.7658 1.0810 1.0810 2.4800 2.4800 3.4020 3.4020 3.4060 3.4060 4.6245 4.6245 4.7904 4.7904 4.8183 4.8183 5.2474 5.2474 5.3225 5.3225 5.8937 5.8937 6.1213 6.1213 6.1276 6.1276 11.4520 11.4520 12.7756 12.7756 12.8034 12.8034 12.9220 12.9220 13.6864 13.6864 k = 0.3462-0.1999 0.2826 ( 10802 PWs) bands (ev): -12.7586 -12.7586 -12.3457 -12.3457 -10.3587 -10.3587 -9.8935 -9.8935 -9.5675 -9.5675 -9.5666 -9.5666 -1.8691 -1.8691 -1.5569 -1.5569 -0.5675 -0.5675 -0.1707 -0.1707 0.7748 0.7748 0.7801 0.7801 1.1319 1.1319 2.4317 2.4317 3.4181 3.4181 3.4187 3.4187 4.6057 4.6057 4.8226 4.8226 4.8266 4.8266 5.2326 5.2326 5.3042 5.3042 5.8518 5.8518 6.1088 6.1088 6.1147 6.1147 11.4511 11.4511 12.7354 12.7354 12.7625 12.7625 12.8863 12.8863 13.7175 13.7175 k = 0.3590-0.2073 0.2931 ( 10786 PWs) bands (ev): -12.7416 -12.7416 -12.3611 -12.3611 -10.3453 -10.3453 -9.9153 -9.9153 -9.5680 -9.5680 -9.5672 -9.5672 -1.8612 -1.8612 -1.5744 -1.5744 -0.5512 -0.5512 -0.1717 -0.1717 0.7870 0.7870 0.7929 0.7929 1.1837 1.1837 2.3826 2.3826 3.4318 3.4318 3.4342 3.4342 4.5911 4.5911 4.8235 4.8235 4.8638 4.8638 5.2181 5.2181 5.2860 5.2860 5.8092 5.8092 6.0974 6.0974 6.1028 6.1028 11.4567 11.4567 12.6951 12.6951 12.7212 12.7212 12.8312 12.8312 13.7505 13.7505 k = 0.3718-0.2147 0.3036 ( 10782 PWs) bands (ev): -12.7244 -12.7244 -12.3769 -12.3769 -10.3312 -10.3312 -9.9374 -9.9374 -9.5686 -9.5686 -9.5678 -9.5678 -1.8527 -1.8527 -1.5915 -1.5915 -0.5337 -0.5337 -0.1750 -0.1750 0.7977 0.7977 0.8041 0.8041 1.2365 1.2365 2.3327 2.3327 3.4451 3.4451 3.4499 3.4499 4.5807 4.5807 4.8210 4.8210 4.9018 4.9018 5.2043 5.2043 5.2680 5.2680 5.7661 5.7661 6.0870 6.0870 6.0920 6.0920 11.4689 11.4689 12.6558 12.6558 12.6804 12.6804 12.7625 12.7625 13.7847 13.7847 k = 0.3846-0.2221 0.3140 ( 10782 PWs) bands (ev): -12.7070 -12.7070 -12.3929 -12.3929 -10.3165 -10.3165 -9.9596 -9.9596 -9.5690 -9.5690 -9.5683 -9.5683 -1.8436 -1.8436 -1.6082 -1.6082 -0.5149 -0.5149 -0.1806 -0.1806 0.8070 0.8070 0.8139 0.8139 1.2901 1.2901 2.2820 2.2820 3.4585 3.4585 3.4651 3.4651 4.5745 4.5745 4.8153 4.8153 4.9408 4.9408 5.1913 5.1913 5.2504 5.2504 5.7225 5.7225 6.0778 6.0778 6.0822 6.0822 11.4879 11.4879 12.6184 12.6184 12.6412 12.6412 12.6850 12.6850 13.8201 13.8201 k = 0.3974-0.2295 0.3245 ( 10794 PWs) bands (ev): -12.6895 -12.6895 -12.4093 -12.4093 -10.3010 -10.3010 -9.9819 -9.9819 -9.5695 -9.5695 -9.5688 -9.5688 -1.8340 -1.8340 -1.6244 -1.6244 -0.4951 -0.4951 -0.1885 -0.1885 0.8152 0.8152 0.8222 0.8222 1.3444 1.3444 2.2304 2.2304 3.4717 3.4717 3.4794 3.4794 4.5723 4.5723 4.8066 4.8066 4.9805 4.9805 5.1793 5.1793 5.2334 5.2334 5.6785 5.6785 6.0696 6.0696 6.0736 6.0736 11.5134 11.5134 12.5834 12.5834 12.6021 12.6021 12.6044 12.6044 13.8567 13.8567 k = 0.4103-0.2369 0.3350 ( 10794 PWs) bands (ev): -12.6718 -12.6718 -12.4258 -12.4258 -10.2849 -10.2849 -10.0041 -10.0041 -9.5698 -9.5698 -9.5693 -9.5693 -1.8239 -1.8239 -1.6403 -1.6403 -0.4743 -0.4743 -0.1985 -0.1985 0.8223 0.8223 0.8292 0.8292 1.3994 1.3994 2.1781 2.1781 3.4843 3.4843 3.4927 3.4927 4.5740 4.5740 4.7951 4.7951 5.0210 5.0210 5.1686 5.1686 5.2172 5.2172 5.6341 5.6341 6.0625 6.0625 6.0659 6.0659 11.5456 11.5456 12.5164 12.5164 12.5516 12.5516 12.5702 12.5702 13.8948 13.8948 k = 0.4231-0.2443 0.3454 ( 10802 PWs) bands (ev): -12.6541 -12.6541 -12.4426 -12.4426 -10.2681 -10.2681 -10.0263 -10.0263 -9.5702 -9.5702 -9.5697 -9.5697 -1.8134 -1.8134 -1.6558 -1.6558 -0.4528 -0.4528 -0.2107 -0.2107 0.8283 0.8283 0.8349 0.8349 1.4549 1.4549 2.1250 2.1250 3.4962 3.4962 3.5046 3.5046 4.5794 4.5794 4.7811 4.7811 5.0622 5.0622 5.1594 5.1594 5.2020 5.2020 5.5896 5.5896 6.0564 6.0564 6.0593 6.0593 11.5842 11.5842 12.4293 12.4293 12.5234 12.5234 12.5396 12.5396 13.9344 13.9344 k = 0.4359-0.2517 0.3559 ( 10802 PWs) bands (ev): -12.6362 -12.6362 -12.4596 -12.4596 -10.2507 -10.2507 -10.0484 -10.0484 -9.5704 -9.5704 -9.5701 -9.5701 -1.8024 -1.8024 -1.6709 -1.6709 -0.4307 -0.4307 -0.2249 -0.2249 0.8334 0.8334 0.8394 0.8394 1.5109 1.5109 2.0712 2.0712 3.5070 3.5070 3.5150 3.5150 4.5881 4.5881 4.7650 4.7650 5.1041 5.1041 5.1518 5.1518 5.1881 5.1881 5.5448 5.5448 6.0513 6.0513 6.0538 6.0538 11.6290 11.6290 12.3423 12.3423 12.4991 12.4991 12.5128 12.5128 13.9757 13.9757 k = 0.4487-0.2591 0.3664 ( 10810 PWs) bands (ev): -12.6183 -12.6183 -12.4767 -12.4767 -10.2327 -10.2327 -10.0703 -10.0703 -9.5707 -9.5707 -9.5704 -9.5704 -1.7910 -1.7910 -1.6857 -1.6857 -0.4082 -0.4082 -0.2408 -0.2408 0.8376 0.8376 0.8428 0.8428 1.5672 1.5672 2.0167 2.0167 3.5165 3.5165 3.5235 3.5235 4.5998 4.5998 4.7472 4.7472 5.1455 5.1455 5.1472 5.1472 5.1756 5.1756 5.4999 5.4999 6.0472 6.0472 6.0492 6.0492 11.6798 11.6798 12.2562 12.2562 12.4791 12.4791 12.4902 12.4902 14.0186 14.0186 k = 0.4615-0.2665 0.3768 ( 10814 PWs) bands (ev): -12.6004 -12.6004 -12.4941 -12.4941 -10.2141 -10.2141 -10.0920 -10.0920 -9.5708 -9.5708 -9.5706 -9.5706 -1.7791 -1.7791 -1.7001 -1.7001 -0.3856 -0.3856 -0.2584 -0.2584 0.8410 0.8410 0.8451 0.8451 1.6238 1.6238 1.9616 1.9616 3.5245 3.5245 3.5301 3.5301 4.6141 4.6141 4.7281 4.7281 5.1423 5.1423 5.1648 5.1648 5.1896 5.1896 5.4551 5.4551 6.0441 6.0441 6.0456 6.0456 11.7362 11.7362 12.1719 12.1719 12.4637 12.4637 12.4721 12.4721 14.0633 14.0633 k = 0.4744-0.2739 0.3873 ( 10810 PWs) bands (ev): -12.5825 -12.5825 -12.5116 -12.5116 -10.1949 -10.1949 -10.1133 -10.1133 -9.5709 -9.5709 -9.5708 -9.5708 -1.7669 -1.7669 -1.7142 -1.7142 -0.3629 -0.3629 -0.2774 -0.2774 0.8437 0.8437 0.8465 0.8465 1.6804 1.6804 1.9060 1.9060 3.5307 3.5307 3.5346 3.5346 4.6306 4.6306 4.7082 4.7082 5.1407 5.1407 5.1559 5.1559 5.2330 5.2330 5.4103 5.4103 6.0420 6.0420 6.0430 6.0430 11.7980 11.7980 12.0900 12.0900 12.4529 12.4529 12.4585 12.4585 14.1097 14.1097 k = 0.4872-0.2813 0.3978 ( 10830 PWs) bands (ev): -12.5647 -12.5647 -12.5292 -12.5292 -10.1752 -10.1752 -10.1344 -10.1344 -9.5710 -9.5710 -9.5709 -9.5709 -1.7542 -1.7542 -1.7279 -1.7279 -0.3406 -0.3406 -0.2976 -0.2976 0.8456 0.8456 0.8470 0.8470 1.7371 1.7371 1.8500 1.8500 3.5349 3.5349 3.5369 3.5369 4.6487 4.6487 4.6880 4.6880 5.1412 5.1412 5.1489 5.1489 5.2769 5.2769 5.3656 5.3656 6.0408 6.0408 6.0413 6.0413 11.8646 11.8646 12.0111 12.0111 12.4470 12.4470 12.4498 12.4498 14.1579 14.1579 k = 0.5000-0.2887 0.4082 ( 10846 PWs) bands (ev): -12.5469 -12.5469 -12.5469 -12.5469 -10.1550 -10.1550 -10.1550 -10.1550 -9.5710 -9.5710 -9.5710 -9.5710 -1.7412 -1.7412 -1.7412 -1.7412 -0.3187 -0.3187 -0.3187 -0.3187 0.8467 0.8467 0.8467 0.8467 1.7936 1.7936 1.7937 1.7937 3.5370 3.5370 3.5370 3.5370 4.6680 4.6680 4.6680 4.6680 5.1440 5.1440 5.1440 5.1440 5.3211 5.3211 5.3211 5.3211 6.0406 6.0406 6.0406 6.0406 11.9358 11.9358 11.9358 11.9358 12.4459 12.4459 12.4459 12.4459 14.2078 14.2078 k = 0.5000-0.2887 0.4082 ( 10846 PWs) bands (ev): -12.5469 -12.5469 -12.5469 -12.5469 -10.1550 -10.1550 -10.1550 -10.1550 -9.5710 -9.5710 -9.5710 -9.5710 -1.7412 -1.7412 -1.7412 -1.7412 -0.3187 -0.3187 -0.3187 -0.3187 0.8467 0.8467 0.8467 0.8467 1.7936 1.7936 1.7937 1.7937 3.5370 3.5370 3.5370 3.5370 4.6680 4.6680 4.6680 4.6680 5.1440 5.1440 5.1440 5.1440 5.3211 5.3211 5.3211 5.3211 6.0406 6.0406 6.0406 6.0406 11.9358 11.9358 11.9358 11.9358 12.4459 12.4459 12.4459 12.4459 14.2078 14.2078 k = 0.5000-0.2742 0.4185 ( 10826 PWs) bands (ev): -12.5469 -12.5469 -12.5469 -12.5469 -10.1551 -10.1551 -10.1551 -10.1551 -9.5709 -9.5709 -9.5709 -9.5709 -1.7473 -1.7473 -1.7346 -1.7346 -0.3385 -0.3385 -0.2991 -0.2991 0.8316 0.8316 0.8597 0.8597 1.7928 1.7928 1.7962 1.7962 3.5365 3.5365 3.5365 3.5365 4.6662 4.6662 4.6708 4.6708 5.1438 5.1438 5.1450 5.1450 5.3216 5.3216 5.3216 5.3216 6.0397 6.0397 6.0399 6.0399 11.9324 11.9324 11.9336 11.9336 12.4498 12.4498 12.4510 12.4510 14.2062 14.2067 k = 0.5000-0.2598 0.4287 ( 10802 PWs) bands (ev): -12.5469 -12.5469 -12.5468 -12.5468 -10.1554 -10.1554 -10.1554 -10.1554 -9.5707 -9.5707 -9.5705 -9.5705 -1.7528 -1.7528 -1.7274 -1.7274 -0.3584 -0.3584 -0.2797 -0.2797 0.8145 0.8145 0.8706 0.8706 1.7937 1.7937 1.8006 1.8006 3.5349 3.5349 3.5349 3.5349 4.6655 4.6655 4.6746 4.6746 5.1444 5.1444 5.1469 5.1469 5.3231 5.3231 5.3231 5.3231 6.0374 6.0374 6.0377 6.0377 11.9236 11.9236 11.9261 11.9261 12.4622 12.4622 12.4648 12.4648 14.2013 14.2029 k = 0.5000-0.2454 0.4389 ( 10798 PWs) bands (ev): -12.5469 -12.5469 -12.5467 -12.5467 -10.1559 -10.1559 -10.1558 -10.1558 -9.5702 -9.5702 -9.5700 -9.5700 -1.7577 -1.7577 -1.7196 -1.7196 -0.3784 -0.3784 -0.2606 -0.2606 0.7956 0.7956 0.8795 0.8795 1.7962 1.7962 1.8066 1.8066 3.5324 3.5324 3.5324 3.5324 4.6658 4.6658 4.6793 4.6793 5.1459 5.1459 5.1496 5.1496 5.3255 5.3255 5.3256 5.3256 6.0335 6.0335 6.0341 6.0341 11.9104 11.9104 11.9141 11.9141 12.4823 12.4823 12.4861 12.4861 14.1940 14.1962 k = 0.5000-0.2309 0.4491 ( 10810 PWs) bands (ev): -12.5469 -12.5469 -12.5467 -12.5467 -10.1565 -10.1565 -10.1565 -10.1565 -9.5696 -9.5696 -9.5693 -9.5693 -1.7620 -1.7620 -1.7114 -1.7114 -0.3985 -0.3985 -0.2418 -0.2418 0.7750 0.7750 0.8864 0.8864 1.8001 1.8001 1.8141 1.8141 3.5289 3.5289 3.5290 3.5290 4.6669 4.6669 4.6849 4.6849 5.1482 5.1482 5.1530 5.1530 5.3288 5.3288 5.3290 5.3290 6.0282 6.0282 6.0290 6.0290 11.8938 11.8938 11.8988 11.8988 12.5088 12.5088 12.5138 12.5138 14.1856 14.1877 k = 0.5000-0.2165 0.4593 ( 10814 PWs) bands (ev): -12.5468 -12.5468 -12.5466 -12.5466 -10.1574 -10.1574 -10.1573 -10.1573 -9.5688 -9.5688 -9.5685 -9.5685 -1.7657 -1.7657 -1.7027 -1.7027 -0.4185 -0.4185 -0.2232 -0.2232 0.7530 0.7530 0.8915 0.8915 1.8053 1.8053 1.8230 1.8230 3.5245 3.5245 3.5248 3.5248 4.6689 4.6689 4.6913 4.6913 5.1514 5.1514 5.1571 5.1571 5.3329 5.3329 5.3333 5.3333 6.0215 6.0215 6.0226 6.0226 11.8752 11.8752 11.8814 11.8814 12.5403 12.5403 12.5466 12.5466 14.1727 14.1776 k = 0.5000-0.2021 0.4695 ( 10810 PWs) bands (ev): -12.5468 -12.5468 -12.5465 -12.5465 -10.1583 -10.1583 -10.1582 -10.1582 -9.5679 -9.5679 -9.5675 -9.5675 -1.7690 -1.7690 -1.6936 -1.6936 -0.4384 -0.4384 -0.2048 -0.2048 0.7297 0.7297 0.8949 0.8949 1.8115 1.8115 1.8330 1.8330 3.5194 3.5194 3.5199 3.5199 4.6716 4.6716 4.6982 4.6982 5.1553 5.1553 5.1619 5.1619 5.3377 5.3377 5.3384 5.3384 6.0135 6.0135 6.0150 6.0150 11.8555 11.8555 11.8629 11.8629 12.5758 12.5758 12.5833 12.5833 14.1597 14.1631 k = 0.5000-0.1876 0.4797 ( 10800 PWs) bands (ev): -12.5467 -12.5467 -12.5464 -12.5464 -10.1594 -10.1594 -10.1593 -10.1593 -9.5668 -9.5668 -9.5665 -9.5665 -1.7717 -1.7717 -1.6842 -1.6842 -0.4581 -0.4581 -0.1868 -0.1868 0.7057 0.7057 0.8969 0.8969 1.8186 1.8186 1.8439 1.8439 3.5137 3.5137 3.5145 3.5145 4.6749 4.6749 4.7057 4.7057 5.1600 5.1600 5.1672 5.1672 5.3431 5.3431 5.3442 5.3442 6.0044 6.0044 6.0063 6.0063 11.8355 11.8355 11.8441 11.8441 12.6140 12.6140 12.6229 12.6229 14.1414 14.1456 k = 0.5000-0.1732 0.4899 ( 10810 PWs) bands (ev): -12.5466 -12.5466 -12.5462 -12.5462 -10.1605 -10.1605 -10.1604 -10.1604 -9.5657 -9.5657 -9.5653 -9.5653 -1.7740 -1.7740 -1.6747 -1.6747 -0.4773 -0.4773 -0.1692 -0.1692 0.6810 0.6810 0.8978 0.8978 1.8263 1.8263 1.8554 1.8554 3.5076 3.5076 3.5086 3.5086 4.6787 4.6787 4.7134 4.7134 5.1652 5.1652 5.1730 5.1730 5.3491 5.3491 5.3507 5.3507 5.9943 5.9943 5.9968 5.9968 11.8158 11.8158 11.8256 11.8256 12.6541 12.6541 12.6644 12.6644 14.1229 14.1253 k = 0.5000-0.1588 0.5001 ( 10812 PWs) bands (ev): -12.5466 -12.5466 -12.5461 -12.5461 -10.1618 -10.1618 -10.1616 -10.1616 -9.5646 -9.5646 -9.5641 -9.5641 -1.7758 -1.7758 -1.6651 -1.6651 -0.4961 -0.4961 -0.1519 -0.1519 0.6561 0.6561 0.8976 0.8976 1.8344 1.8344 1.8673 1.8673 3.5011 3.5011 3.5025 3.5025 4.6828 4.6828 4.7213 4.7213 5.1711 5.1711 5.1791 5.1791 5.3554 5.3554 5.3577 5.3577 5.9834 5.9834 5.9865 5.9865 11.7970 11.7970 11.8079 11.8079 12.6954 12.6954 12.7071 12.7071 14.0991 14.1005 k = 0.5000-0.1443 0.5103 ( 10790 PWs) bands (ev): -12.5465 -12.5465 -12.5460 -12.5460 -10.1630 -10.1630 -10.1628 -10.1628 -9.5634 -9.5634 -9.5628 -9.5628 -1.7773 -1.7773 -1.6555 -1.6555 -0.5141 -0.5141 -0.1351 -0.1351 0.6312 0.6312 0.8967 0.8967 1.8426 1.8426 1.8791 1.8791 3.4945 3.4945 3.4963 3.4963 4.6870 4.6870 4.7292 4.7292 5.1773 5.1773 5.1855 5.1855 5.3620 5.3620 5.3652 5.3652 5.9719 5.9719 5.9756 5.9756 11.7793 11.7793 11.7913 11.7913 12.7370 12.7370 12.7502 12.7502 14.0629 14.0632 k = 0.5000-0.1299 0.5205 ( 10806 PWs) bands (ev): -12.5464 -12.5464 -12.5459 -12.5459 -10.1642 -10.1642 -10.1641 -10.1641 -9.5622 -9.5622 -9.5616 -9.5616 -1.7784 -1.7784 -1.6462 -1.6462 -0.5313 -0.5313 -0.1188 -0.1188 0.6068 0.6068 0.8952 0.8952 1.8508 1.8508 1.8908 1.8908 3.4878 3.4878 3.4901 3.4901 4.6913 4.6913 4.7369 4.7369 5.1838 5.1838 5.1919 5.1919 5.3687 5.3687 5.3729 5.3729 5.9600 5.9600 5.9645 5.9645 11.7630 11.7630 11.7760 11.7760 12.7783 12.7783 12.7931 12.7931 14.0195 14.0198 k = 0.5000-0.1155 0.5307 ( 10806 PWs) bands (ev): -12.5463 -12.5463 -12.5458 -12.5458 -10.1654 -10.1654 -10.1652 -10.1652 -9.5610 -9.5610 -9.5604 -9.5604 -1.7793 -1.7793 -1.6372 -1.6372 -0.5474 -0.5474 -0.1033 -0.1033 0.5833 0.5833 0.8934 0.8934 1.8586 1.8586 1.9020 1.9020 3.4814 3.4814 3.4841 3.4841 4.6955 4.6955 4.7442 4.7442 5.1904 5.1904 5.1982 5.1982 5.3754 5.3754 5.3807 5.3807 5.9480 5.9480 5.9534 5.9534 11.7482 11.7482 11.7622 11.7622 12.8186 12.8186 12.8350 12.8350 13.9747 13.9748 k = 0.5000-0.1010 0.5409 ( 10814 PWs) bands (ev): -12.5462 -12.5462 -12.5457 -12.5457 -10.1665 -10.1665 -10.1664 -10.1664 -9.5599 -9.5599 -9.5593 -9.5593 -1.7800 -1.7800 -1.6287 -1.6287 -0.5623 -0.5623 -0.0885 -0.0885 0.5609 0.5609 0.8914 0.8914 1.8660 1.8660 1.9124 1.9124 3.4753 3.4753 3.4784 3.4784 4.6995 4.6995 4.7510 4.7510 5.1969 5.1969 5.2043 5.2043 5.3819 5.3819 5.3885 5.3885 5.9362 5.9362 5.9426 5.9426 11.7351 11.7351 11.7500 11.7500 12.8571 12.8571 12.8752 12.8752 13.9324 13.9327 k = 0.5000-0.0866 0.5511 ( 10812 PWs) bands (ev): -12.5462 -12.5462 -12.5456 -12.5456 -10.1676 -10.1676 -10.1674 -10.1674 -9.5589 -9.5589 -9.5582 -9.5582 -1.7804 -1.7804 -1.6209 -1.6209 -0.5758 -0.5758 -0.0748 -0.0748 0.5402 0.5402 0.8893 0.8893 1.8728 1.8728 1.9219 1.9219 3.4696 3.4696 3.4732 3.4732 4.7032 4.7032 4.7573 4.7573 5.2031 5.2031 5.2099 5.2099 5.3880 5.3880 5.3960 5.3960 5.9250 5.9250 5.9323 5.9323 11.7237 11.7237 11.7394 11.7394 12.8930 12.8930 12.9130 12.9130 13.8939 13.8962 k = 0.5000-0.0722 0.5613 ( 10810 PWs) bands (ev): -12.5461 -12.5461 -12.5455 -12.5455 -10.1685 -10.1685 -10.1683 -10.1683 -9.5580 -9.5580 -9.5573 -9.5573 -1.7807 -1.7807 -1.6139 -1.6139 -0.5875 -0.5875 -0.0624 -0.0624 0.5215 0.5215 0.8874 0.8874 1.8788 1.8788 1.9303 1.9303 3.4646 3.4646 3.4686 3.4686 4.7064 4.7064 4.7627 4.7627 5.2087 5.2087 5.2150 5.2150 5.3936 5.3936 5.4030 5.4030 5.9146 5.9146 5.9228 5.9228 11.7141 11.7141 11.7304 11.7304 12.9256 12.9256 12.9475 12.9475 13.8603 13.8606 k = 0.5000-0.0577 0.5715 ( 10816 PWs) bands (ev): -12.5460 -12.5460 -12.5454 -12.5454 -10.1693 -10.1693 -10.1691 -10.1691 -9.5572 -9.5572 -9.5565 -9.5565 -1.7809 -1.7809 -1.6080 -1.6080 -0.5975 -0.5975 -0.0516 -0.0516 0.5054 0.5054 0.8857 0.8857 1.8839 1.8839 1.9374 1.9374 3.4603 3.4603 3.4646 3.4646 4.7092 4.7092 4.7673 4.7673 5.2137 5.2137 5.2194 5.2194 5.3985 5.3985 5.4093 5.4093 5.9054 5.9054 5.9146 5.9146 11.7062 11.7062 11.7232 11.7232 12.9539 12.9539 12.9777 12.9777 13.8321 13.8327 k = 0.5000-0.0433 0.5818 ( 10814 PWs) bands (ev): -12.5460 -12.5460 -12.5453 -12.5453 -10.1699 -10.1699 -10.1697 -10.1697 -9.5566 -9.5566 -9.5559 -9.5559 -1.7811 -1.7811 -1.6032 -1.6032 -0.6054 -0.6054 -0.0428 -0.0428 0.4922 0.4922 0.8842 0.8842 1.8880 1.8880 1.9431 1.9431 3.4569 3.4569 3.4615 3.4615 4.7114 4.7114 4.7710 4.7710 5.2178 5.2178 5.2229 5.2229 5.4025 5.4025 5.4145 5.4145 5.8979 5.8979 5.9078 5.9078 11.7001 11.7001 11.7175 11.7175 12.9772 12.9772 13.0026 13.0026 13.8096 13.8097 k = 0.5000-0.0289 0.5920 ( 10802 PWs) bands (ev): -12.5460 -12.5460 -12.5453 -12.5453 -10.1704 -10.1704 -10.1702 -10.1702 -9.5561 -9.5561 -9.5554 -9.5554 -1.7811 -1.7811 -1.5996 -1.5996 -0.6112 -0.6112 -0.0362 -0.0362 0.4825 0.4825 0.8832 0.8832 1.8909 1.8909 1.9472 1.9472 3.4544 3.4544 3.4592 3.4592 4.7130 4.7130 4.7737 4.7737 5.2208 5.2208 5.2255 5.2255 5.4055 5.4055 5.4184 5.4184 5.8922 5.8922 5.9027 5.9027 11.6957 11.6957 11.7135 11.7135 12.9945 12.9945 13.0213 13.0213 13.7933 13.7937 k = 0.5000-0.0144 0.6022 ( 10798 PWs) bands (ev): -12.5459 -12.5459 -12.5453 -12.5453 -10.1707 -10.1707 -10.1704 -10.1704 -9.5559 -9.5559 -9.5551 -9.5551 -1.7812 -1.7812 -1.5975 -1.5975 -0.6147 -0.6147 -0.0321 -0.0321 0.4765 0.4765 0.8825 0.8825 1.8927 1.8927 1.9497 1.9497 3.4528 3.4528 3.4578 3.4578 4.7140 4.7140 4.7753 4.7753 5.2227 5.2227 5.2271 5.2271 5.4073 5.4073 5.4209 5.4209 5.8887 5.8887 5.8996 5.8996 11.6931 11.6931 11.7111 11.7111 13.0052 13.0052 13.0330 13.0330 13.7834 13.7841 k = 0.5000 0.0000 0.6124 ( 10780 PWs) bands (ev): -12.5459 -12.5459 -12.5453 -12.5453 -10.1707 -10.1707 -10.1705 -10.1705 -9.5558 -9.5558 -9.5550 -9.5550 -1.7812 -1.7812 -1.5968 -1.5968 -0.6159 -0.6159 -0.0307 -0.0307 0.4744 0.4744 0.8823 0.8823 1.8933 1.8933 1.9505 1.9505 3.4523 3.4523 3.4573 3.4573 4.7143 4.7143 4.7759 4.7759 5.2233 5.2233 5.2276 5.2276 5.4079 5.4079 5.4217 5.4217 5.8875 5.8875 5.8986 5.8986 11.6923 11.6923 11.7103 11.7103 13.0088 13.0088 13.0369 13.0369 13.7802 13.7821 k = 0.5000 0.0000 0.6124 ( 10780 PWs) bands (ev): -12.5459 -12.5459 -12.5453 -12.5453 -10.1707 -10.1707 -10.1705 -10.1705 -9.5558 -9.5558 -9.5550 -9.5550 -1.7812 -1.7812 -1.5968 -1.5968 -0.6159 -0.6159 -0.0307 -0.0307 0.4744 0.4744 0.8823 0.8823 1.8933 1.8933 1.9505 1.9505 3.4523 3.4523 3.4573 3.4573 4.7143 4.7143 4.7759 4.7759 5.2233 5.2233 5.2276 5.2276 5.4079 5.4079 5.4217 5.4217 5.8875 5.8875 5.8986 5.8986 11.6923 11.6923 11.7103 11.7103 13.0088 13.0088 13.0369 13.0369 13.7801 13.7803 k = 0.4911 0.0155 0.6124 ( 10795 PWs) bands (ev): -12.5538 -12.5538 -12.5374 -12.5374 -10.1816 -10.1816 -10.1595 -10.1595 -9.5561 -9.5561 -9.5548 -9.5548 -1.7816 -1.7816 -1.5966 -1.5966 -0.6158 -0.6158 -0.0309 -0.0309 0.4751 0.4751 0.8822 0.8822 1.8842 1.8842 1.9590 1.9590 3.4507 3.4507 3.4592 3.4592 4.7098 4.7098 4.7799 4.7799 5.2175 5.2175 5.2328 5.2328 5.4075 5.4075 5.4217 5.4217 5.8719 5.8719 5.9157 5.9157 11.6835 11.6835 11.7216 11.7216 12.9894 12.9894 13.0517 13.0517 13.7409 13.7409 k = 0.4821 0.0309 0.6124 ( 10803 PWs) bands (ev): -12.5614 -12.5614 -12.5299 -12.5299 -10.1918 -10.1918 -10.1487 -10.1487 -9.5568 -9.5568 -9.5543 -9.5543 -1.7827 -1.7827 -1.5960 -1.5960 -0.6156 -0.6156 -0.0314 -0.0314 0.4770 0.4770 0.8818 0.8818 1.8664 1.8664 1.9749 1.9749 3.4486 3.4486 3.4625 3.4625 4.6989 4.6989 4.7895 4.7895 5.2092 5.2092 5.2395 5.2395 5.4073 5.4073 5.4210 5.4210 5.8518 5.8518 5.9398 5.9398 11.6688 11.6688 11.7442 11.7442 12.9594 12.9594 13.0679 13.0679 13.6931 13.6931 k = 0.4732 0.0464 0.6124 ( 10807 PWs) bands (ev): -12.5686 -12.5686 -12.5228 -12.5228 -10.2013 -10.2013 -10.1383 -10.1383 -9.5577 -9.5577 -9.5539 -9.5539 -1.7845 -1.7845 -1.5951 -1.5951 -0.6153 -0.6153 -0.0323 -0.0323 0.4799 0.4799 0.8814 0.8814 1.8472 1.8472 1.9909 1.9909 3.4471 3.4471 3.4659 3.4659 4.6850 4.6850 4.8013 4.8013 5.2001 5.2001 5.2460 5.2460 5.4067 5.4067 5.4206 5.4206 5.8315 5.8315 5.9657 5.9657 11.6532 11.6532 11.7730 11.7730 12.9267 12.9267 13.0783 13.0783 13.6434 13.6434 k = 0.4643 0.0619 0.6124 ( 10806 PWs) bands (ev): -12.5752 -12.5752 -12.5164 -12.5164 -10.2100 -10.2100 -10.1284 -10.1284 -9.5586 -9.5586 -9.5535 -9.5535 -1.7868 -1.7868 -1.5940 -1.5940 -0.6149 -0.6149 -0.0334 -0.0334 0.4836 0.4836 0.8808 0.8808 1.8287 1.8287 2.0054 2.0054 3.4465 3.4465 3.4693 3.4693 4.6701 4.6701 4.8135 4.8135 5.1905 5.1905 5.2523 5.2523 5.4038 5.4038 5.4227 5.4227 5.8113 5.8113 5.9923 5.9923 11.6376 11.6376 11.8071 11.8071 12.8917 12.8917 13.0837 13.0837 13.5936 13.5936 k = 0.4554 0.0773 0.6124 ( 10805 PWs) bands (ev): -12.5812 -12.5812 -12.5106 -12.5106 -10.2180 -10.2180 -10.1190 -10.1190 -9.5597 -9.5597 -9.5531 -9.5531 -1.7895 -1.7895 -1.5927 -1.5927 -0.6143 -0.6143 -0.0345 -0.0345 0.4878 0.4878 0.8803 0.8803 1.8115 1.8115 2.0177 2.0177 3.4468 3.4468 3.4726 3.4726 4.6550 4.6550 4.8255 4.8255 5.1808 5.1808 5.2584 5.2584 5.3985 5.3985 5.4276 5.4276 5.7915 5.7915 6.0188 6.0188 11.6224 11.6224 11.8460 11.8460 12.8541 12.8541 13.0853 13.0853 13.5454 13.5454 k = 0.4464 0.0928 0.6124 ( 10805 PWs) bands (ev): -12.5866 -12.5866 -12.5053 -12.5053 -10.2252 -10.2252 -10.1103 -10.1103 -9.5608 -9.5608 -9.5527 -9.5527 -1.7925 -1.7925 -1.5913 -1.5913 -0.6137 -0.6137 -0.0358 -0.0358 0.4923 0.4923 0.8797 0.8797 1.7958 1.7958 2.0280 2.0280 3.4479 3.4479 3.4756 3.4756 4.6403 4.6403 4.8369 4.8369 5.1711 5.1711 5.2644 5.2644 5.3918 5.3918 5.4344 5.4344 5.7722 5.7722 6.0443 6.0443 11.6079 11.6079 11.8893 11.8893 12.8136 12.8136 13.0843 13.0843 13.5000 13.5000 k = 0.4375 0.1083 0.6124 ( 10809 PWs) bands (ev): -12.5915 -12.5915 -12.5007 -12.5007 -10.2315 -10.2315 -10.1024 -10.1024 -9.5619 -9.5619 -9.5524 -9.5524 -1.7955 -1.7955 -1.5898 -1.5898 -0.6130 -0.6130 -0.0370 -0.0370 0.4969 0.4969 0.8791 0.8791 1.7819 1.7819 2.0363 2.0363 3.4496 3.4496 3.4785 3.4785 4.6263 4.6263 4.8474 4.8474 5.1618 5.1618 5.2701 5.2701 5.3845 5.3845 5.4424 5.4424 5.7536 5.7536 6.0682 6.0682 11.5944 11.5944 11.9364 11.9364 12.7701 12.7701 13.0816 13.0816 13.4584 13.4584 k = 0.4286 0.1237 0.6124 ( 10813 PWs) bands (ev): -12.5957 -12.5957 -12.4966 -12.4966 -10.2371 -10.2371 -10.0953 -10.0953 -9.5629 -9.5629 -9.5521 -9.5521 -1.7984 -1.7984 -1.5884 -1.5884 -0.6123 -0.6123 -0.0382 -0.0382 0.5012 0.5012 0.8786 0.8786 1.7697 1.7697 2.0428 2.0428 3.4518 3.4518 3.4810 3.4810 4.6135 4.6135 4.8570 4.8570 5.1530 5.1530 5.2756 5.2756 5.3770 5.3770 5.4511 5.4511 5.7360 5.7360 6.0899 6.0899 11.5821 11.5821 11.9868 11.9868 12.7234 12.7234 13.0782 13.0782 13.4215 13.4215 k = 0.4196 0.1392 0.6124 ( 10809 PWs) bands (ev): -12.5993 -12.5993 -12.4932 -12.4932 -10.2418 -10.2418 -10.0891 -10.0891 -9.5639 -9.5639 -9.5519 -9.5519 -1.8012 -1.8012 -1.5871 -1.5871 -0.6116 -0.6116 -0.0393 -0.0393 0.5053 0.5053 0.8782 0.8782 1.7594 1.7594 2.0477 2.0477 3.4543 3.4543 3.4833 3.4833 4.6021 4.6021 4.8654 4.8654 5.1450 5.1450 5.2809 5.2809 5.3696 5.3696 5.4601 5.4601 5.7197 5.7197 6.1091 6.1091 11.5714 11.5714 12.0398 12.0398 12.6739 12.6739 13.0744 13.0744 13.3899 13.3899 k = 0.4107 0.1546 0.6124 ( 10811 PWs) bands (ev): -12.6022 -12.6022 -12.4904 -12.4904 -10.2457 -10.2457 -10.0839 -10.0839 -9.5648 -9.5648 -9.5517 -9.5517 -1.8036 -1.8036 -1.5860 -1.5860 -0.6109 -0.6109 -0.0403 -0.0403 0.5088 0.5088 0.8779 0.8779 1.7509 1.7509 2.0513 2.0513 3.4567 3.4567 3.4851 3.4851 4.5924 4.5924 4.8725 4.8725 5.1380 5.1380 5.2860 5.2860 5.3626 5.3626 5.4688 5.4688 5.7050 5.7050 6.1254 6.1254 11.5623 11.5623 12.0945 12.0945 12.6222 12.6222 13.0709 13.0709 13.3638 13.3638 k = 0.4018 0.1701 0.6124 ( 10803 PWs) bands (ev): -12.6045 -12.6045 -12.4882 -12.4882 -10.2487 -10.2487 -10.0798 -10.0798 -9.5656 -9.5656 -9.5515 -9.5515 -1.8056 -1.8056 -1.5850 -1.5850 -0.6104 -0.6104 -0.0410 -0.0410 0.5117 0.5117 0.8776 0.8776 1.7443 1.7443 2.0539 2.0539 3.4589 3.4589 3.4866 3.4866 4.5845 4.5845 4.8783 4.8783 5.1323 5.1323 5.2906 5.2906 5.3563 5.3563 5.4767 5.4767 5.6926 5.6926 6.1383 6.1383 11.5550 11.5550 12.1493 12.1493 12.5697 12.5697 13.0678 13.0678 13.3435 13.3435 k = 0.3929 0.1856 0.6124 ( 10805 PWs) bands (ev): -12.6062 -12.6062 -12.4867 -12.4867 -10.2509 -10.2509 -10.0769 -10.0769 -9.5661 -9.5661 -9.5514 -9.5514 -1.8071 -1.8071 -1.5843 -1.5843 -0.6100 -0.6100 -0.0416 -0.0416 0.5138 0.5138 0.8774 0.8774 1.7395 1.7395 2.0556 2.0556 3.4607 3.4607 3.4877 3.4877 4.5788 4.5788 4.8825 4.8825 5.1280 5.1280 5.2944 5.2944 5.3511 5.3511 5.4832 5.4832 5.6829 5.6829 6.1477 6.1477 11.5497 11.5497 12.2016 12.2016 12.5190 12.5190 13.0655 13.0655 13.3290 13.3290 k = 0.3839 0.2010 0.6124 ( 10805 PWs) bands (ev): -12.6072 -12.6072 -12.4857 -12.4857 -10.2522 -10.2522 -10.0751 -10.0751 -9.5664 -9.5664 -9.5513 -9.5513 -1.8080 -1.8080 -1.5839 -1.5839 -0.6097 -0.6097 -0.0420 -0.0420 0.5151 0.5151 0.8773 0.8773 1.7367 1.7367 2.0565 2.0565 3.4618 3.4618 3.4884 3.4884 4.5753 4.5753 4.8851 4.8851 5.1254 5.1254 5.2971 5.2971 5.3477 5.3477 5.4874 5.4874 5.6768 5.6768 6.1534 6.1534 11.5465 11.5465 12.2448 12.2448 12.4767 12.4767 13.0640 13.0640 13.3203 13.3203 k = 0.3750 0.2165 0.6124 ( 10828 PWs) bands (ev): -12.6075 -12.6075 -12.4854 -12.4854 -10.2526 -10.2526 -10.0745 -10.0745 -9.5665 -9.5665 -9.5513 -9.5513 -1.8083 -1.8083 -1.5838 -1.5838 -0.6097 -0.6097 -0.0421 -0.0421 0.5156 0.5156 0.8773 0.8773 1.7358 1.7358 2.0568 2.0568 3.4622 3.4622 3.4886 3.4886 4.5741 4.5741 4.8860 4.8860 5.1245 5.1245 5.2981 5.2981 5.3464 5.3464 5.4889 5.4889 5.6746 5.6746 6.1554 6.1554 11.5454 11.5454 12.2636 12.2636 12.4582 12.4582 13.0635 13.0635 13.3175 13.3175 k = 0.3750 0.2165 0.6124 ( 10828 PWs) bands (ev): -12.6075 -12.6075 -12.4854 -12.4854 -10.2526 -10.2526 -10.0745 -10.0745 -9.5665 -9.5665 -9.5513 -9.5513 -1.8083 -1.8083 -1.5838 -1.5838 -0.6097 -0.6097 -0.0421 -0.0421 0.5156 0.5156 0.8773 0.8773 1.7358 1.7358 2.0568 2.0568 3.4622 3.4622 3.4886 3.4886 4.5741 4.5741 4.8860 4.8860 5.1245 5.1245 5.2981 5.2981 5.3464 5.3464 5.4889 5.4889 5.6746 5.6746 6.1554 6.1554 11.5454 11.5454 12.2636 12.2636 12.4582 12.4582 13.0635 13.0635 13.3175 13.3175 k = 0.3661 0.2114 0.5978 ( 10822 PWs) bands (ev): -12.6163 -12.6163 -12.4768 -12.4768 -10.2638 -10.2638 -10.0631 -10.0631 -9.5660 -9.5660 -9.5500 -9.5500 -1.8132 -1.8132 -1.5695 -1.5695 -0.6293 -0.6293 -0.0220 -0.0220 0.4911 0.4911 0.8708 0.8708 1.7156 1.7156 2.0917 2.0917 3.4534 3.4534 3.4867 3.4867 4.5626 4.5626 4.9063 4.9063 5.1197 5.1197 5.3166 5.3166 5.3524 5.3524 5.5121 5.5121 5.6325 5.6325 6.1691 6.1691 11.5421 11.5421 12.3051 12.3051 12.4495 12.4495 13.1019 13.1019 13.2363 13.2363 k = 0.3571 0.2062 0.5832 ( 10818 PWs) bands (ev): -12.6257 -12.6257 -12.4677 -12.4677 -10.2750 -10.2750 -10.0511 -10.0511 -9.5654 -9.5654 -9.5490 -9.5490 -1.8182 -1.8182 -1.5553 -1.5553 -0.6482 -0.6482 -0.0025 -0.0025 0.4682 0.4682 0.8636 0.8636 1.6924 1.6924 2.1278 2.1278 3.4445 3.4445 3.4850 3.4850 4.5510 4.5510 4.9255 4.9255 5.1141 5.1141 5.3327 5.3327 5.3619 5.3619 5.5363 5.5363 5.5907 5.5907 6.1831 6.1831 11.5449 11.5449 12.3477 12.3477 12.4378 12.4378 13.1276 13.1276 13.1699 13.1699 k = 0.3482 0.2010 0.5686 ( 10818 PWs) bands (ev): -12.6355 -12.6355 -12.4582 -12.4582 -10.2862 -10.2862 -10.0384 -10.0384 -9.5648 -9.5648 -9.5481 -9.5481 -1.8234 -1.8234 -1.5415 -1.5415 -0.6663 -0.6663 0.0161 0.0161 0.4473 0.4473 0.8558 0.8558 1.6662 1.6662 2.1650 2.1650 3.4355 3.4355 3.4833 3.4833 4.5396 4.5396 4.9429 4.9429 5.1076 5.1076 5.3436 5.3436 5.3776 5.3776 5.5492 5.5492 5.5624 5.5624 6.1972 6.1972 11.5540 11.5540 12.3896 12.3896 12.4248 12.4248 13.0805 13.0805 13.1780 13.1780 k = 0.3393 0.1959 0.5541 ( 10818 PWs) bands (ev): -12.6459 -12.6459 -12.4483 -12.4483 -10.2973 -10.2973 -10.0252 -10.0252 -9.5642 -9.5642 -9.5474 -9.5474 -1.8286 -1.8286 -1.5280 -1.5280 -0.6835 -0.6835 0.0331 0.0331 0.4290 0.4290 0.8473 0.8473 1.6374 1.6374 2.2031 2.2031 3.4266 3.4266 3.4813 3.4813 4.5286 4.5286 4.9582 4.9582 5.1001 5.1001 5.3503 5.3503 5.3984 5.3984 5.5104 5.5104 5.5885 5.5885 6.2114 6.2114 11.5694 11.5694 12.3990 12.3990 12.4423 12.4423 13.0170 13.0170 13.2044 13.2044 k = 0.3304 0.1907 0.5395 ( 10830 PWs) bands (ev): -12.6568 -12.6568 -12.4380 -12.4380 -10.3083 -10.3083 -10.0115 -10.0115 -9.5636 -9.5636 -9.5470 -9.5470 -1.8339 -1.8339 -1.5149 -1.5149 -0.6997 -0.6997 0.0478 0.0478 0.4139 0.4139 0.8381 0.8381 1.6059 1.6059 2.2417 2.2417 3.4178 3.4178 3.4789 3.4789 4.5185 4.5185 4.9708 4.9708 5.0918 5.0918 5.3546 5.3546 5.4217 5.4217 5.4745 5.4745 5.6159 5.6159 6.2256 6.2256 11.5911 11.5911 12.3792 12.3792 12.4872 12.4872 12.9581 12.9581 13.2278 13.2278 k = 0.3214 0.1856 0.5249 ( 10830 PWs) bands (ev): -12.6681 -12.6681 -12.4274 -12.4274 -10.3191 -10.3191 -9.9973 -9.9973 -9.5630 -9.5630 -9.5468 -9.5468 -1.8393 -1.8393 -1.5024 -1.5024 -0.7148 -0.7148 0.0594 0.0594 0.4028 0.4028 0.8284 0.8284 1.5720 1.5720 2.2806 2.2806 3.4091 3.4091 3.4759 3.4759 4.5094 4.5094 4.9798 4.9798 5.0825 5.0825 5.3567 5.3567 5.4375 5.4375 5.4522 5.4522 5.6442 5.6442 6.2397 6.2397 11.6189 11.6189 12.3554 12.3554 12.5344 12.5344 12.9052 12.9052 13.2469 13.2469 k = 0.3125 0.1804 0.5103 ( 10826 PWs) bands (ev): -12.6798 -12.6798 -12.4164 -12.4164 -10.3297 -10.3297 -9.9826 -9.9826 -9.5623 -9.5623 -9.5467 -9.5467 -1.8448 -1.8448 -1.4904 -1.4904 -0.7286 -0.7286 0.0670 0.0670 0.3963 0.3963 0.8180 0.8180 1.5359 1.5359 2.3197 2.3197 3.4005 3.4005 3.4721 3.4721 4.5019 4.5019 4.9846 4.9846 5.0722 5.0722 5.3545 5.3545 5.4172 5.4172 5.4754 5.4754 5.6733 5.6733 6.2537 6.2537 11.6526 11.6526 12.3293 12.3293 12.5824 12.5824 12.8587 12.8587 13.2615 13.2615 k = 0.3036 0.1753 0.4957 ( 10838 PWs) bands (ev): -12.6919 -12.6919 -12.4052 -12.4052 -10.3400 -10.3400 -9.9674 -9.9674 -9.5617 -9.5617 -9.5468 -9.5468 -1.8503 -1.8503 -1.4790 -1.4790 -0.7410 -0.7410 0.0700 0.0700 0.3950 0.3950 0.8070 0.8070 1.4979 1.4979 2.3585 2.3585 3.3921 3.3921 3.4674 3.4674 4.4962 4.4962 4.9844 4.9844 5.0607 5.0607 5.3455 5.3455 5.4050 5.4050 5.5029 5.5029 5.7032 5.7032 6.2674 6.2674 11.6921 11.6921 12.3018 12.3018 12.6296 12.6296 12.8202 12.8202 13.2714 13.2714 k = 0.2946 0.1701 0.4811 ( 10833 PWs) bands (ev): -12.7044 -12.7044 -12.3937 -12.3937 -10.3500 -10.3500 -9.9519 -9.9519 -9.5611 -9.5611 -9.5471 -9.5471 -1.8557 -1.8557 -1.4681 -1.4681 -0.7521 -0.7521 0.0680 0.0680 0.3988 0.3988 0.7953 0.7953 1.4580 1.4580 2.3970 2.3970 3.3839 3.3839 3.4618 3.4618 4.4928 4.4928 4.9788 4.9788 5.0477 5.0477 5.3323 5.3323 5.4025 5.4025 5.5316 5.5316 5.7337 5.7337 6.2810 6.2810 11.7370 11.7370 12.2736 12.2736 12.6714 12.6714 12.7942 12.7942 13.2766 13.2766 k = 0.2857 0.1650 0.4666 ( 10841 PWs) bands (ev): -12.7172 -12.7172 -12.3820 -12.3820 -10.3598 -10.3598 -9.9361 -9.9361 -9.5606 -9.5606 -9.5475 -9.5475 -1.8612 -1.8612 -1.4577 -1.4577 -0.7616 -0.7616 0.0614 0.0614 0.4072 0.4072 0.7829 0.7829 1.4165 1.4165 2.4348 2.4348 3.3759 3.3759 3.4553 3.4553 4.4922 4.4922 4.9681 4.9681 5.0324 5.0324 5.3203 5.3203 5.4049 5.4049 5.5615 5.5615 5.7648 5.7648 6.2943 6.2943 11.7868 11.7868 12.2454 12.2454 12.6924 12.6924 12.7957 12.7957 13.2773 13.2773 k = 0.2768 0.1598 0.4520 ( 10833 PWs) bands (ev): -12.7302 -12.7302 -12.3701 -12.3701 -10.3692 -10.3692 -9.9199 -9.9199 -9.5600 -9.5600 -9.5480 -9.5480 -1.8666 -1.8666 -1.4477 -1.4477 -0.7696 -0.7696 0.0508 0.0508 0.4191 0.4191 0.7698 0.7698 1.3737 1.3737 2.4719 2.4719 3.3681 3.3681 3.4478 3.4478 4.4946 4.4946 4.9525 4.9525 5.0147 5.0147 5.3122 5.3122 5.4094 5.4094 5.5923 5.5923 5.7964 5.7964 6.3073 6.3073 11.8409 11.8409 12.2179 12.2179 12.6853 12.6853 12.8321 12.8321 13.2740 13.2740 k = 0.2679 0.1546 0.4374 ( 10833 PWs) bands (ev): -12.7435 -12.7435 -12.3581 -12.3581 -10.3782 -10.3782 -9.9035 -9.9035 -9.5594 -9.5594 -9.5486 -9.5486 -1.8719 -1.8719 -1.4382 -1.4382 -0.7761 -0.7761 0.0370 0.0370 0.4335 0.4335 0.7560 0.7560 1.3298 1.3298 2.5081 2.5081 3.3606 3.3606 3.4394 3.4394 4.5004 4.5004 4.9329 4.9329 4.9945 4.9945 5.3085 5.3085 5.4151 5.4151 5.6241 5.6241 5.8284 5.8284 6.3200 6.3200 11.8985 11.8985 12.1915 12.1915 12.6688 12.6688 12.8842 12.8842 13.2673 13.2673 k = 0.2589 0.1495 0.4228 ( 10831 PWs) bands (ev): -12.7570 -12.7570 -12.3460 -12.3460 -10.3869 -10.3869 -9.8869 -9.8869 -9.5589 -9.5589 -9.5493 -9.5493 -1.8770 -1.8770 -1.4289 -1.4289 -0.7809 -0.7809 0.0207 0.0207 0.4493 0.4493 0.7415 0.7415 1.2848 1.2848 2.5433 2.5433 3.3532 3.3532 3.4304 3.4304 4.5099 4.5099 4.9099 4.9099 4.9721 4.9721 5.3085 5.3085 5.4214 5.4214 5.6568 5.6568 5.8608 5.8608 6.3324 6.3324 11.9586 11.9586 12.1670 12.1670 12.6521 12.6521 12.9427 12.9427 13.2581 13.2581 k = 0.2500 0.1443 0.4082 ( 10841 PWs) bands (ev): -12.7706 -12.7706 -12.3338 -12.3338 -10.3953 -10.3953 -9.8702 -9.8702 -9.5584 -9.5584 -9.5500 -9.5500 -1.8820 -1.8820 -1.4198 -1.4198 -0.7842 -0.7842 0.0026 0.0026 0.4654 0.4654 0.7262 0.7262 1.2390 1.2390 2.5775 2.5775 3.3459 3.3459 3.4207 3.4207 4.5234 4.5234 4.8841 4.8841 4.9481 4.9481 5.3116 5.3116 5.4281 5.4281 5.6904 5.6904 5.8934 5.8934 6.3444 6.3444 12.0199 12.0199 12.1448 12.1448 12.6372 12.6372 13.0049 13.0049 13.2476 13.2476 k = 0.2411 0.1392 0.3937 ( 10823 PWs) bands (ev): -12.7842 -12.7842 -12.3215 -12.3215 -10.4033 -10.4033 -9.8533 -9.8533 -9.5579 -9.5579 -9.5508 -9.5508 -1.8868 -1.8868 -1.4107 -1.4107 -0.7859 -0.7859 -0.0169 -0.0169 0.4811 0.4811 0.7102 0.7102 1.1927 1.1927 2.6108 2.6108 3.3387 3.3387 3.4107 3.4107 4.5410 4.5410 4.8562 4.8562 4.9227 4.9227 5.3169 5.3169 5.4351 5.4351 5.7247 5.7247 5.9261 5.9261 6.3560 6.3560 12.0791 12.0791 12.1268 12.1268 12.6246 12.6246 13.0699 13.0699 13.2372 13.2372 k = 0.2321 0.1340 0.3791 ( 10831 PWs) bands (ev): -12.7980 -12.7980 -12.3093 -12.3093 -10.4110 -10.4110 -9.8365 -9.8365 -9.5575 -9.5575 -9.5515 -9.5515 -1.8914 -1.8914 -1.4016 -1.4016 -0.7861 -0.7861 -0.0375 -0.0375 0.4956 0.4956 0.6933 0.6933 1.1458 1.1458 2.6431 2.6431 3.3316 3.3316 3.4006 3.4006 4.5628 4.5628 4.8267 4.8267 4.8962 4.8962 5.3238 5.3238 5.4424 5.4424 5.7599 5.7599 5.9589 5.9589 6.3672 6.3672 12.1020 12.1020 12.1455 12.1455 12.6141 12.6141 13.1373 13.1373 13.2290 13.2290 k = 0.2232 0.1289 0.3645 ( 10829 PWs) bands (ev): -12.8117 -12.8117 -12.2971 -12.2971 -10.4183 -10.4183 -9.8196 -9.8196 -9.5571 -9.5571 -9.5522 -9.5522 -1.8957 -1.8957 -1.3923 -1.3923 -0.7847 -0.7847 -0.0588 -0.0588 0.5083 0.5083 0.6758 0.6758 1.0987 1.0987 2.6747 2.6747 3.3245 3.3245 3.3905 3.3905 4.5886 4.5886 4.7964 4.7964 4.8686 4.8686 5.3318 5.3318 5.4498 5.4498 5.7958 5.7958 5.9917 5.9917 6.3781 6.3781 12.0897 12.0897 12.1972 12.1972 12.6053 12.6053 13.2057 13.2057 13.2261 13.2261 k = 0.2143 0.1237 0.3499 ( 10823 PWs) bands (ev): -12.8253 -12.8253 -12.2850 -12.2850 -10.4252 -10.4252 -9.8027 -9.8027 -9.5567 -9.5567 -9.5528 -9.5528 -1.8997 -1.8997 -1.3827 -1.3827 -0.7819 -0.7819 -0.0807 -0.0807 0.5187 0.5187 0.6576 0.6576 1.0515 1.0515 2.7057 2.7057 3.3172 3.3172 3.3809 3.3809 4.6185 4.6185 4.7655 4.7655 4.8401 4.8401 5.3406 5.3406 5.4575 5.4575 5.8324 5.8324 6.0244 6.0244 6.3886 6.3886 12.0786 12.0786 12.2429 12.2429 12.5977 12.5977 13.2273 13.2273 13.2780 13.2780 k = 0.2054 0.1186 0.3353 ( 10847 PWs) bands (ev): -12.8389 -12.8389 -12.2731 -12.2731 -10.4319 -10.4319 -9.7860 -9.7860 -9.5564 -9.5564 -9.5533 -9.5533 -1.9033 -1.9033 -1.3728 -1.3728 -0.7778 -0.7778 -0.1030 -0.1030 0.5265 0.5265 0.6387 0.6387 1.0042 1.0042 2.7363 2.7363 3.3099 3.3099 3.3718 3.3718 4.6517 4.6517 4.7348 4.7348 4.8109 4.8109 5.3498 5.3498 5.4652 5.4652 5.8695 5.8695 6.0569 6.0569 6.3986 6.3986 12.0702 12.0702 12.2777 12.2777 12.5911 12.5911 13.2391 13.2391 13.3484 13.3484 k = 0.1964 0.1134 0.3208 ( 10847 PWs) bands (ev): -12.8523 -12.8523 -12.2613 -12.2613 -10.4382 -10.4382 -9.7694 -9.7694 -9.5562 -9.5562 -9.5537 -9.5537 -1.9066 -1.9066 -1.3623 -1.3623 -0.7723 -0.7723 -0.1256 -0.1256 0.5314 0.5314 0.6193 0.6193 0.9572 0.9572 2.7666 2.7666 3.3024 3.3024 3.3635 3.3635 4.6844 4.6844 4.7081 4.7081 4.7810 4.7810 5.3593 5.3593 5.4730 5.4730 5.9071 5.9071 6.0890 6.0890 6.4083 6.4083 12.0649 12.0649 12.2987 12.2987 12.5850 12.5850 13.2594 13.2594 13.4177 13.4177 k = 0.1875 0.1083 0.3062 ( 10837 PWs) bands (ev): -12.8654 -12.8654 -12.2497 -12.2497 -10.4442 -10.4442 -9.7531 -9.7531 -9.5561 -9.5561 -9.5540 -9.5540 -1.9094 -1.9094 -1.3512 -1.3512 -0.7656 -0.7656 -0.1485 -0.1485 0.5332 0.5332 0.5994 0.5994 0.9105 0.9105 2.7967 2.7967 3.2949 3.2949 3.3560 3.3560 4.6694 4.6694 4.7310 4.7310 4.7521 4.7521 5.3689 5.3689 5.4808 5.4808 5.9452 5.9452 6.1208 6.1208 6.4176 6.4176 12.0626 12.0626 12.3045 12.3045 12.5789 12.5789 13.2831 13.2831 13.4830 13.4830 k = 0.1786 0.1031 0.2916 ( 10831 PWs) bands (ev): -12.8784 -12.8784 -12.2383 -12.2383 -10.4499 -10.4499 -9.7371 -9.7371 -9.5561 -9.5561 -9.5541 -9.5541 -1.9119 -1.9119 -1.3394 -1.3394 -0.7578 -0.7578 -0.1716 -0.1716 0.5317 0.5317 0.5794 0.5794 0.8642 0.8642 2.8267 2.8267 3.2874 3.2874 3.3496 3.3496 4.6398 4.6398 4.7178 4.7178 4.7768 4.7768 5.3786 5.3786 5.4886 5.4886 5.9835 5.9835 6.1520 6.1520 6.4265 6.4265 12.0634 12.0634 12.2949 12.2949 12.5727 12.5727 13.2945 13.2945 13.5408 13.5408 k = 0.1696 0.0979 0.2770 ( 10825 PWs) bands (ev): -12.8910 -12.8910 -12.2273 -12.2273 -10.4553 -10.4553 -9.7213 -9.7213 -9.5562 -9.5562 -9.5540 -9.5540 -1.9140 -1.9140 -1.3268 -1.3268 -0.7489 -0.7489 -0.1949 -0.1949 0.5267 0.5267 0.5593 0.5593 0.8186 0.8186 2.8567 2.8567 3.2800 3.2800 3.3440 3.3440 4.6101 4.6101 4.6868 4.6868 4.8222 4.8222 5.3883 5.3883 5.4964 5.4964 6.0220 6.0220 6.1827 6.1827 6.4350 6.4350 12.0672 12.0672 12.2713 12.2713 12.5659 12.5659 13.2705 13.2705 13.5873 13.5874 k = 0.1607 0.0928 0.2624 ( 10827 PWs) bands (ev): -12.9033 -12.9033 -12.2165 -12.2165 -10.4605 -10.4605 -9.7060 -9.7060 -9.5563 -9.5563 -9.5539 -9.5539 -1.9156 -1.9156 -1.3134 -1.3134 -0.7392 -0.7392 -0.2182 -0.2182 0.5180 0.5180 0.5400 0.5400 0.7737 0.7737 2.8866 2.8866 3.2730 3.2730 3.3392 3.3392 4.5811 4.5811 4.6555 4.6555 4.8699 4.8699 5.3978 5.3978 5.5042 5.5042 6.0605 6.0605 6.2126 6.2126 6.4431 6.4431 12.0737 12.0737 12.2356 12.2356 12.5584 12.5584 13.2103 13.2103 13.6214 13.6214 k = 0.1518 0.0876 0.2479 ( 10829 PWs) bands (ev): -12.9151 -12.9151 -12.2061 -12.2061 -10.4653 -10.4653 -9.6911 -9.6911 -9.5564 -9.5564 -9.5537 -9.5537 -1.9168 -1.9168 -1.2992 -1.2992 -0.7286 -0.7286 -0.2417 -0.2417 0.5048 0.5048 0.5222 0.5222 0.7298 0.7298 2.9163 2.9163 3.2666 3.2666 3.3353 3.3353 4.5528 4.5528 4.6241 4.6241 4.9192 4.9192 5.4073 5.4073 5.5118 5.5118 6.0989 6.0989 6.2417 6.2417 6.4508 6.4508 12.0830 12.0830 12.1900 12.1900 12.5501 12.5501 13.1328 13.1328 13.6363 13.6363 k = 0.1429 0.0825 0.2333 ( 10823 PWs) bands (ev): -12.9266 -12.9266 -12.1961 -12.1961 -10.4698 -10.4698 -9.6768 -9.6768 -9.5564 -9.5564 -9.5536 -9.5536 -1.9176 -1.9176 -1.2841 -1.2841 -0.7173 -0.7173 -0.2653 -0.2653 0.4877 0.4877 0.5060 0.5060 0.6871 0.6871 2.9455 2.9455 3.2609 3.2609 3.3320 3.3320 4.5256 4.5256 4.5930 4.5930 4.9694 4.9694 5.4166 5.4166 5.5193 5.5193 6.1370 6.1370 6.2699 6.2699 6.4581 6.4581 12.0947 12.0947 12.1367 12.1367 12.5406 12.5406 13.0508 13.0508 13.6329 13.6329 k = 0.1339 0.0773 0.2187 ( 10821 PWs) bands (ev): -12.9375 -12.9375 -12.1865 -12.1865 -10.4741 -10.4741 -9.6630 -9.6630 -9.5564 -9.5564 -9.5534 -9.5534 -1.9180 -1.9180 -1.2681 -1.2681 -0.7054 -0.7054 -0.2889 -0.2889 0.4686 0.4686 0.4897 0.4897 0.6456 0.6456 2.9741 2.9741 3.2561 3.2561 3.3292 3.3292 4.4995 4.4995 4.5625 4.5625 5.0200 5.0200 5.4257 5.4257 5.5265 5.5265 6.1745 6.1745 6.2970 6.2970 6.4650 6.4650 12.0766 12.0766 12.1094 12.1094 12.5299 12.5299 12.9700 12.9700 13.6162 13.6162 k = 0.1250 0.0722 0.2041 ( 10859 PWs) bands (ev): -12.9480 -12.9480 -12.1773 -12.1773 -10.4781 -10.4781 -9.6498 -9.6498 -9.5563 -9.5563 -9.5532 -9.5532 -1.9180 -1.9180 -1.2513 -1.2513 -0.6930 -0.6930 -0.3126 -0.3126 0.4490 0.4490 0.4725 0.4725 0.6057 0.6057 3.0016 3.0016 3.2525 3.2525 3.3270 3.3270 4.4746 4.4746 4.5326 4.5326 5.0703 5.0703 5.4348 5.4348 5.5336 5.5336 6.2113 6.2113 6.3230 6.3230 6.4715 6.4715 12.0131 12.0131 12.1254 12.1254 12.5180 12.5180 12.8927 12.8927 13.5909 13.5909 k = 0.1161 0.0670 0.1895 ( 10855 PWs) bands (ev): -12.9579 -12.9579 -12.1687 -12.1687 -10.4818 -10.4818 -9.6372 -9.6372 -9.5561 -9.5561 -9.5531 -9.5531 -1.9177 -1.9177 -1.2337 -1.2337 -0.6804 -0.6804 -0.3363 -0.3363 0.4295 0.4295 0.4542 0.4542 0.5674 0.5674 3.0277 3.0277 3.2502 3.2502 3.3252 3.3252 4.4510 4.4510 4.5037 4.5037 5.1198 5.1198 5.4439 5.4439 5.5404 5.5404 6.2472 6.2472 6.3478 6.3478 6.4775 6.4775 11.9468 11.9468 12.1433 12.1433 12.5049 12.5049 12.8200 12.8200 13.5613 13.5613 k = 0.1071 0.0619 0.1750 ( 10841 PWs) bands (ev): -12.9672 -12.9672 -12.1605 -12.1605 -10.4853 -10.4853 -9.6254 -9.6254 -9.5560 -9.5560 -9.5529 -9.5529 -1.9171 -1.9171 -1.2154 -1.2154 -0.6675 -0.6675 -0.3600 -0.3600 0.4105 0.4105 0.4351 0.4351 0.5310 0.5310 3.0518 3.0518 3.2496 3.2496 3.3238 3.3238 4.4289 4.4289 4.4760 4.4760 5.1677 5.1677 5.4531 5.4531 5.5469 5.5469 6.2819 6.2819 6.3712 6.3712 6.4832 6.4832 11.8793 11.8793 12.1629 12.1629 12.4908 12.4908 12.7523 12.7523 13.5304 13.5304 k = 0.0982 0.0567 0.1604 ( 10839 PWs) bands (ev): -12.9759 -12.9759 -12.1529 -12.1529 -10.4885 -10.4885 -9.6143 -9.6143 -9.5557 -9.5557 -9.5528 -9.5528 -1.9163 -1.9163 -1.1965 -1.1965 -0.6547 -0.6547 -0.3836 -0.3836 0.3922 0.3922 0.4154 0.4154 0.4967 0.4967 3.0735 3.0735 3.2509 3.2509 3.3227 3.3227 4.4082 4.4082 4.4496 4.4496 5.2134 5.2134 5.4627 5.4627 5.5530 5.5530 6.3151 6.3151 6.3932 6.3932 6.4885 6.4885 11.8119 11.8119 12.1836 12.1836 12.4759 12.4759 12.6899 12.6899 13.5001 13.5001 k = 0.0893 0.0515 0.1458 ( 10857 PWs) bands (ev): -12.9839 -12.9839 -12.1459 -12.1459 -10.4914 -10.4914 -9.6040 -9.6040 -9.5555 -9.5555 -9.5527 -9.5527 -1.9152 -1.9152 -1.1772 -1.1772 -0.6419 -0.6419 -0.4070 -0.4070 0.3747 0.3747 0.3957 0.3957 0.4647 0.4647 3.0922 3.0922 3.2542 3.2542 3.3219 3.3219 4.3892 4.3892 4.4247 4.4247 5.2559 5.2559 5.4728 5.4728 5.5588 5.5588 6.3466 6.3466 6.4137 6.4137 6.4934 6.4934 11.7459 11.7459 12.2051 12.2051 12.4604 12.4604 12.6328 12.6328 13.4718 13.4718 k = 0.0804 0.0464 0.1312 ( 10863 PWs) bands (ev): -12.9912 -12.9912 -12.1394 -12.1394 -10.4941 -10.4941 -9.5946 -9.5946 -9.5552 -9.5552 -9.5525 -9.5525 -1.9141 -1.9141 -1.1576 -1.1576 -0.6295 -0.6295 -0.4301 -0.4301 0.3582 0.3582 0.3763 0.3763 0.4353 0.4353 3.1077 3.1077 3.2597 3.2597 3.3213 3.3213 4.3718 4.3718 4.4016 4.4016 5.2945 5.2945 5.4839 5.4839 5.5641 5.5641 6.3760 6.3760 6.4325 6.4325 6.4978 6.4978 11.6825 11.6825 12.2271 12.2271 12.4448 12.4448 12.5810 12.5810 13.4461 13.4461 k = 0.0714 0.0412 0.1166 ( 10875 PWs) bands (ev): -12.9979 -12.9979 -12.1336 -12.1336 -10.4964 -10.4964 -9.5861 -9.5861 -9.5550 -9.5550 -9.5524 -9.5524 -1.9128 -1.9128 -1.1381 -1.1381 -0.6176 -0.6176 -0.4526 -0.4526 0.3426 0.3426 0.3575 0.3575 0.4087 0.4087 3.1197 3.1197 3.2672 3.2672 3.3209 3.3209 4.3561 4.3561 4.3804 4.3804 5.3283 5.3283 5.4963 5.4963 5.5689 5.5689 6.4032 6.4032 6.4496 6.4496 6.5019 6.5019 11.6228 11.6228 12.2490 12.2490 12.4293 12.4293 12.5345 12.5345 13.4233 13.4233 k = 0.0625 0.0361 0.1021 ( 10879 PWs) bands (ev): -13.0038 -13.0038 -12.1284 -12.1284 -10.4986 -10.4986 -9.5785 -9.5785 -9.5547 -9.5547 -9.5523 -9.5523 -1.9115 -1.9115 -1.1189 -1.1189 -0.6065 -0.6065 -0.4744 -0.4744 0.3282 0.3282 0.3399 0.3399 0.3851 0.3851 3.1288 3.1288 3.2761 3.2761 3.3206 3.3206 4.3421 4.3421 4.3612 4.3612 5.3564 5.3564 5.5103 5.5103 5.5733 5.5733 6.4278 6.4278 6.4650 6.4650 6.5056 6.5056 11.5678 11.5678 12.2703 12.2703 12.4145 12.4145 12.4934 12.4934 13.4035 13.4036 k = 0.0536 0.0309 0.0875 ( 10877 PWs) bands (ev): -13.0090 -13.0090 -12.1239 -12.1239 -10.5004 -10.5004 -9.5718 -9.5718 -9.5545 -9.5545 -9.5521 -9.5521 -1.9103 -1.9103 -1.1004 -1.1004 -0.5962 -0.5962 -0.4949 -0.4949 0.3149 0.3149 0.3237 0.3237 0.3649 0.3649 3.1353 3.1353 3.2856 3.2856 3.3205 3.3205 4.3300 4.3300 4.3443 4.3443 5.3788 5.3788 5.5255 5.5255 5.5771 5.5771 6.4495 6.4495 6.4785 6.4785 6.5089 6.5089 11.5182 11.5182 12.2906 12.2906 12.4007 12.4007 12.4577 12.4577 13.3868 13.3868 k = 0.0446 0.0258 0.0729 ( 10883 PWs) bands (ev): -13.0134 -13.0134 -12.1200 -12.1200 -10.5019 -10.5019 -9.5662 -9.5662 -9.5542 -9.5542 -9.5520 -9.5520 -1.9091 -1.9091 -1.0832 -1.0832 -0.5870 -0.5870 -0.5139 -0.5139 0.3030 0.3030 0.3092 0.3092 0.3480 0.3480 3.1398 3.1398 3.2949 3.2949 3.3204 3.3204 4.3196 4.3196 4.3298 4.3298 5.3956 5.3956 5.5413 5.5413 5.5804 5.5804 6.4679 6.4679 6.4903 6.4903 6.5119 6.5119 11.4750 11.4750 12.3092 12.3092 12.3884 12.3884 12.4273 12.4273 13.3729 13.3729 k = 0.0357 0.0206 0.0583 ( 10887 PWs) bands (ev): -13.0170 -13.0170 -12.1168 -12.1168 -10.5032 -10.5032 -9.5617 -9.5617 -9.5539 -9.5539 -9.5519 -9.5519 -1.9081 -1.9081 -1.0678 -1.0678 -0.5792 -0.5792 -0.5307 -0.5307 0.2927 0.2927 0.2967 0.2967 0.3347 0.3347 3.1429 3.1429 3.3035 3.3035 3.3204 3.3204 4.3111 4.3111 4.3178 4.3178 5.4079 5.4079 5.5564 5.5564 5.5831 5.5831 6.4825 6.4825 6.5005 6.5005 6.5147 6.5147 11.4386 11.4386 12.3255 12.3255 12.3777 12.3777 12.4024 12.4024 13.3618 13.3618 k = 0.0268 0.0155 0.0437 ( 10887 PWs) bands (ev): -13.0198 -13.0198 -12.1143 -12.1143 -10.5042 -10.5042 -9.5583 -9.5583 -9.5535 -9.5535 -9.5518 -9.5518 -1.9073 -1.9073 -1.0548 -1.0548 -0.5728 -0.5728 -0.5448 -0.5448 0.2842 0.2842 0.2866 0.2866 0.3246 0.3246 3.1450 3.1450 3.3106 3.3106 3.3204 3.3204 4.3045 4.3045 4.3083 4.3083 5.4164 5.4164 5.5695 5.5695 5.5853 5.5853 6.4931 6.4931 6.5090 6.5090 6.5173 6.5173 11.4098 11.4098 12.3390 12.3390 12.3691 12.3691 12.3831 12.3831 13.3534 13.3534 k = 0.0179 0.0103 0.0292 ( 10891 PWs) bands (ev): -13.0219 -13.0219 -12.1126 -12.1126 -10.5049 -10.5049 -9.5563 -9.5563 -9.5528 -9.5528 -9.5518 -9.5518 -1.9066 -1.9066 -1.0449 -1.0449 -0.5682 -0.5682 -0.5554 -0.5554 0.2780 0.2780 0.2790 0.2790 0.3176 0.3176 3.1463 3.1463 3.3160 3.3160 3.3204 3.3204 4.2998 4.2998 4.3015 4.3015 5.4220 5.4220 5.5796 5.5796 5.5868 5.5868 6.4998 6.4998 6.5157 6.5157 6.5195 6.5195 11.3889 11.3889 12.3488 12.3488 12.3628 12.3628 12.3694 12.3694 13.3474 13.3476 k = 0.0089 0.0052 0.0146 ( 10883 PWs) bands (ev): -13.0231 -13.0231 -12.1115 -12.1115 -10.5053 -10.5053 -9.5554 -9.5554 -9.5520 -9.5520 -9.5517 -9.5517 -1.9063 -1.9063 -1.0387 -1.0387 -0.5653 -0.5653 -0.5621 -0.5621 0.2741 0.2741 0.2744 0.2744 0.3135 0.3135 3.1470 3.1470 3.3193 3.3193 3.3204 3.3204 4.2969 4.2969 4.2973 4.2973 5.4251 5.4251 5.5859 5.5859 5.5877 5.5877 6.5034 6.5034 6.5201 6.5201 6.5210 6.5210 11.3762 11.3762 12.3538 12.3538 12.3594 12.3594 12.3618 12.3618 13.3440 13.3448 k = 0.0000 0.0000 0.0000 ( 10849 PWs) bands (ev): -13.0235 -13.0235 -12.1111 -12.1111 -10.5055 -10.5055 -9.5552 -9.5552 -9.5517 -9.5517 -9.5517 -9.5517 -1.9061 -1.9061 -1.0366 -1.0366 -0.5644 -0.5644 -0.5644 -0.5644 0.2728 0.2728 0.2728 0.2728 0.3122 0.3122 3.1472 3.1472 3.3204 3.3204 3.3204 3.3204 4.2960 4.2960 4.2960 4.2960 5.4261 5.4261 5.5881 5.5881 5.5881 5.5881 6.5044 6.5044 6.5216 6.5216 6.5216 6.5216 11.3720 11.3720 12.3540 12.3540 12.3595 12.3595 12.3595 12.3595 13.3427 13.3427 k = 0.0000 0.0000 0.0000 ( 10849 PWs) bands (ev): -13.0235 -13.0235 -12.1111 -12.1111 -10.5055 -10.5055 -9.5552 -9.5552 -9.5517 -9.5517 -9.5517 -9.5517 -1.9061 -1.9061 -1.0366 -1.0366 -0.5644 -0.5644 -0.5644 -0.5644 0.2728 0.2728 0.2728 0.2728 0.3122 0.3122 3.1472 3.1472 3.3204 3.3204 3.3204 3.3204 4.2960 4.2960 4.2960 4.2960 5.4261 5.4261 5.5881 5.5881 5.5881 5.5881 6.5044 6.5044 6.5216 6.5216 6.5216 6.5216 11.3720 11.3720 12.3540 12.3540 12.3595 12.3595 12.3595 12.3595 13.3427 13.3427 k = 0.0147 0.0085 0.0060 ( 10885 PWs) bands (ev): -13.0231 -13.0231 -12.1115 -12.1115 -10.5053 -10.5053 -9.5554 -9.5554 -9.5520 -9.5520 -9.5517 -9.5517 -1.9063 -1.9063 -1.0387 -1.0387 -0.5654 -0.5654 -0.5620 -0.5620 0.2741 0.2741 0.2744 0.2744 0.3135 0.3135 3.1470 3.1470 3.3193 3.3193 3.3204 3.3204 4.2971 4.2971 4.2972 4.2972 5.4251 5.4251 5.5858 5.5858 5.5878 5.5878 6.5033 6.5033 6.5200 6.5200 6.5211 6.5211 11.3763 11.3763 12.3543 12.3543 12.3591 12.3591 12.3617 12.3617 13.3446 13.3446 k = 0.0294 0.0170 0.0120 ( 10897 PWs) bands (ev): -13.0218 -13.0218 -12.1126 -12.1126 -10.5049 -10.5049 -9.5563 -9.5563 -9.5528 -9.5528 -9.5517 -9.5517 -1.9067 -1.9067 -1.0450 -1.0450 -0.5685 -0.5685 -0.5550 -0.5550 0.2780 0.2780 0.2791 0.2791 0.3177 0.3177 3.1462 3.1462 3.3158 3.3158 3.3205 3.3205 4.3004 4.3004 4.3009 4.3009 5.4219 5.4219 5.5793 5.5793 5.5869 5.5869 6.4997 6.4997 6.5151 6.5151 6.5200 6.5200 11.3892 11.3892 12.3534 12.3534 12.3577 12.3577 12.3701 12.3701 13.3502 13.3504 k = 0.0441 0.0255 0.0180 ( 10894 PWs) bands (ev): -13.0198 -13.0198 -12.1144 -12.1144 -10.5042 -10.5042 -9.5584 -9.5584 -9.5535 -9.5535 -9.5518 -9.5518 -1.9073 -1.9073 -1.0551 -1.0551 -0.5737 -0.5737 -0.5438 -0.5438 0.2844 0.2844 0.2866 0.2866 0.3249 0.3249 3.1449 3.1449 3.3103 3.3103 3.3205 3.3205 4.3060 4.3060 4.3072 4.3072 5.4162 5.4162 5.5690 5.5690 5.5855 5.5855 6.4929 6.4929 6.5071 6.5071 6.5190 6.5190 11.4104 11.4104 12.3512 12.3512 12.3555 12.3555 12.3848 12.3848 13.3594 13.3597 k = 0.0588 0.0340 0.0240 ( 10894 PWs) bands (ev): -13.0169 -13.0169 -12.1169 -12.1169 -10.5032 -10.5032 -9.5619 -9.5619 -9.5539 -9.5539 -9.5519 -9.5519 -1.9082 -1.9082 -1.0681 -1.0681 -0.5807 -0.5807 -0.5291 -0.5291 0.2932 0.2932 0.2964 0.2964 0.3355 0.3355 3.1429 3.1429 3.3030 3.3030 3.3206 3.3206 4.3137 4.3137 4.3158 4.3158 5.4074 5.4074 5.5556 5.5556 5.5835 5.5835 6.4826 6.4826 6.4960 6.4960 6.5183 6.5183 11.4396 11.4396 12.3481 12.3481 12.3526 12.3526 12.4057 12.4057 13.3719 13.3727 k = 0.0735 0.0425 0.0300 ( 10888 PWs) bands (ev): -13.0132 -13.0132 -12.1202 -12.1202 -10.5019 -10.5019 -9.5666 -9.5666 -9.5541 -9.5541 -9.5520 -9.5520 -1.9092 -1.9092 -1.0835 -1.0835 -0.5894 -0.5894 -0.5115 -0.5115 0.3043 0.3043 0.3079 0.3079 0.3497 0.3497 3.1398 3.1398 3.2942 3.2942 3.3207 3.3207 4.3236 4.3236 4.3269 4.3269 5.3946 5.3946 5.5404 5.5404 5.5810 5.5810 6.4690 6.4690 6.4818 6.4818 6.5179 6.5179 11.4763 11.4763 12.3443 12.3443 12.3492 12.3492 12.4327 12.4327 13.3875 13.3885 k = 0.0882 0.0509 0.0360 ( 10894 PWs) bands (ev): -13.0087 -13.0087 -12.1241 -12.1241 -10.5003 -10.5003 -9.5723 -9.5723 -9.5543 -9.5543 -9.5521 -9.5521 -1.9104 -1.9104 -1.1006 -1.1006 -0.5997 -0.5997 -0.4917 -0.4917 0.3174 0.3174 0.3204 0.3204 0.3678 0.3678 3.1353 3.1353 3.2847 3.2847 3.3207 3.3207 4.3356 4.3356 4.3403 4.3403 5.3769 5.3769 5.5247 5.5247 5.5779 5.5779 6.4524 6.4524 6.4648 6.4648 6.5179 6.5179 11.5199 11.5199 12.3402 12.3402 12.3455 12.3455 12.4657 12.4657 13.4059 13.4078 k = 0.1029 0.0594 0.0420 ( 10885 PWs) bands (ev): -13.0035 -13.0035 -12.1287 -12.1287 -10.4985 -10.4985 -9.5791 -9.5791 -9.5545 -9.5545 -9.5522 -9.5522 -1.9117 -1.9117 -1.1187 -1.1187 -0.6114 -0.6114 -0.4702 -0.4702 0.3324 0.3324 0.3337 0.3337 0.3898 0.3898 3.1290 3.1290 3.2750 3.2750 3.3207 3.3207 4.3497 4.3497 4.3559 4.3559 5.3534 5.3534 5.5098 5.5098 5.5743 5.5743 6.4329 6.4329 6.4450 6.4450 6.5180 6.5180 11.5697 11.5697 12.3359 12.3359 12.3417 12.3417 12.5047 12.5047 13.4276 13.4285 k = 0.1176 0.0679 0.0480 ( 10867 PWs) bands (ev): -12.9975 -12.9975 -12.1339 -12.1339 -10.4965 -10.4965 -9.5867 -9.5867 -9.5547 -9.5547 -9.5524 -9.5524 -1.9130 -1.9130 -1.1373 -1.1373 -0.6242 -0.6242 -0.4474 -0.4474 0.3477 0.3477 0.3490 0.3490 0.4153 0.4153 3.1205 3.1205 3.2658 3.2658 3.3207 3.3207 4.3657 4.3657 4.3738 4.3738 5.3239 5.3239 5.4965 5.4965 5.5701 5.5701 6.4107 6.4107 6.4227 6.4227 6.5182 6.5182 11.6249 11.6249 12.3318 12.3318 12.3380 12.3380 12.5498 12.5498 13.4489 13.4501 k = 0.1324 0.0764 0.0540 ( 10864 PWs) bands (ev): -12.9908 -12.9908 -12.1398 -12.1398 -10.4941 -10.4941 -9.5952 -9.5952 -9.5549 -9.5549 -9.5526 -9.5526 -1.9143 -1.9143 -1.1560 -1.1560 -0.6380 -0.6380 -0.4238 -0.4238 0.3620 0.3620 0.3671 0.3671 0.4439 0.4439 3.1094 3.1094 3.2578 3.2578 3.3205 3.3205 4.3836 4.3836 4.3938 4.3938 5.2886 5.2886 5.4848 5.4848 5.5654 5.5654 6.3861 6.3861 6.3980 6.3980 6.5185 6.5185 11.6845 11.6845 12.3280 12.3280 12.3347 12.3347 12.6009 12.6009 13.4722 13.4739 k = 0.1471 0.0849 0.0600 ( 10864 PWs) bands (ev): -12.9834 -12.9834 -12.1464 -12.1464 -10.4916 -10.4916 -9.6046 -9.6046 -9.5551 -9.5551 -9.5528 -9.5528 -1.9156 -1.9156 -1.1745 -1.1745 -0.6525 -0.6525 -0.3995 -0.3995 0.3767 0.3767 0.3865 0.3865 0.4753 0.4753 3.0956 3.0956 3.2513 3.2513 3.3203 3.3203 4.4033 4.4033 4.4157 4.4157 5.2485 5.2485 5.4746 5.4746 5.5603 5.5603 6.3593 6.3593 6.3711 6.3711 6.5189 6.5189 11.7476 11.7476 12.3248 12.3248 12.3319 12.3319 12.6579 12.6579 13.4957 13.4977 k = 0.1618 0.0934 0.0660 ( 10849 PWs) bands (ev): -12.9753 -12.9753 -12.1535 -12.1535 -10.4888 -10.4888 -9.6146 -9.6146 -9.5553 -9.5553 -9.5530 -9.5530 -1.9168 -1.9168 -1.1924 -1.1924 -0.6677 -0.6677 -0.3748 -0.3748 0.3915 0.3915 0.4069 0.4069 0.5090 0.5090 3.0793 3.0793 3.2465 3.2465 3.3200 3.3200 4.4247 4.4247 4.4396 4.4396 5.2045 5.2045 5.4653 5.4653 5.5546 5.5546 6.3305 6.3305 6.3422 6.3422 6.5193 6.5193 11.8132 11.8132 12.3225 12.3225 12.3300 12.3300 12.7205 12.7205 13.5197 13.5204 k = 0.1765 0.1019 0.0720 ( 10855 PWs) bands (ev): -12.9666 -12.9666 -12.1611 -12.1611 -10.4858 -10.4858 -9.6253 -9.6253 -9.5555 -9.5555 -9.5532 -9.5532 -1.9180 -1.9180 -1.2094 -1.2094 -0.6832 -0.6832 -0.3498 -0.3498 0.4060 0.4060 0.4282 0.4282 0.5447 0.5447 3.0610 3.0610 3.2434 3.2434 3.3195 3.3195 4.4477 4.4477 4.4652 4.4652 5.1575 5.1575 5.4566 5.4566 5.5484 5.5484 6.2999 6.2999 6.3117 6.3117 6.5198 6.5198 11.8803 11.8803 12.3212 12.3212 12.3290 12.3290 12.7884 12.7884 13.5422 13.5437 k = 0.1912 0.1104 0.0780 ( 10867 PWs) bands (ev): -12.9573 -12.9573 -12.1693 -12.1693 -10.4826 -10.4826 -9.6366 -9.6366 -9.5557 -9.5557 -9.5534 -9.5534 -1.9190 -1.9190 -1.2255 -1.2255 -0.6990 -0.6990 -0.3245 -0.3245 0.4200 0.4200 0.4502 0.4502 0.5820 0.5820 3.0411 3.0411 3.2416 3.2416 3.3188 3.3188 4.4723 4.4723 4.4925 4.4925 5.1083 5.1083 5.4482 5.4482 5.5417 5.5417 6.2679 6.2679 6.2797 6.2797 6.5203 6.5203 11.9478 11.9478 12.3212 12.3212 12.3293 12.3293 12.8607 12.8607 13.5632 13.5643 k = 0.2059 0.1189 0.0841 ( 10867 PWs) bands (ev): -12.9474 -12.9474 -12.1779 -12.1779 -10.4793 -10.4793 -9.6484 -9.6484 -9.5560 -9.5560 -9.5536 -9.5536 -1.9199 -1.9199 -1.2404 -1.2404 -0.7149 -0.7149 -0.2992 -0.2992 0.4330 0.4330 0.4727 0.4727 0.6208 0.6208 3.0202 3.0202 3.2410 3.2410 3.3180 3.3180 4.4982 4.4982 4.5213 4.5213 5.0578 5.0578 5.4400 5.4400 5.5345 5.5345 6.2346 6.2346 6.2464 6.2464 6.5209 6.5209 12.0144 12.0144 12.3226 12.3226 12.3310 12.3310 12.9360 12.9360 13.5814 13.5833 k = 0.2206 0.1274 0.0901 ( 10849 PWs) bands (ev): -12.9370 -12.9370 -12.1871 -12.1871 -10.4758 -10.4758 -9.6606 -9.6606 -9.5562 -9.5562 -9.5539 -9.5539 -1.9207 -1.9207 -1.2541 -1.2541 -0.7308 -0.7308 -0.2738 -0.2738 0.4446 0.4446 0.4955 0.4955 0.6608 0.6608 2.9988 2.9988 3.2412 3.2412 3.3169 3.3169 4.5254 4.5254 4.5515 4.5515 5.0067 5.0067 5.4317 5.4317 5.5269 5.5269 6.2003 6.2003 6.2122 6.2122 6.5215 6.5215 12.0789 12.0789 12.3258 12.3258 12.3342 12.3342 13.0115 13.0115 13.5960 13.6024 k = 0.2353 0.1358 0.0961 ( 10846 PWs) bands (ev): -12.9262 -12.9262 -12.1966 -12.1966 -10.4721 -10.4721 -9.6731 -9.6731 -9.5565 -9.5565 -9.5541 -9.5541 -1.9213 -1.9213 -1.2664 -1.2664 -0.7465 -0.7465 -0.2484 -0.2484 0.4545 0.4545 0.5185 0.5185 0.7017 0.7017 2.9774 2.9774 3.2420 3.2420 3.3157 3.3157 4.5537 4.5537 4.5829 4.5829 4.9554 4.9554 5.4232 5.4232 5.5188 5.5188 6.1653 6.1653 6.1772 6.1772 6.5221 6.5221 12.1396 12.1396 12.3310 12.3310 12.3391 12.3391 13.0810 13.0810 13.6053 13.6082 k = 0.2500 0.1443 0.1021 ( 10828 PWs) bands (ev): -12.9150 -12.9150 -12.2064 -12.2064 -10.4683 -10.4683 -9.6858 -9.6858 -9.5567 -9.5567 -9.5544 -9.5544 -1.9219 -1.9219 -1.2772 -1.2772 -0.7620 -0.7620 -0.2229 -0.2229 0.4623 0.4623 0.5415 0.5415 0.7433 0.7433 2.9562 2.9562 3.2434 3.2434 3.3143 3.3143 4.5829 4.5829 4.6154 4.6154 4.9048 4.9048 5.4145 5.4145 5.5102 5.5102 6.1298 6.1298 6.1419 6.1419 6.5226 6.5226 12.1945 12.1945 12.3385 12.3385 12.3459 12.3459 13.1305 13.1305 13.5567 13.5567 k = 0.2647 0.1528 0.1081 ( 10816 PWs) bands (ev): -12.9035 -12.9035 -12.2166 -12.2166 -10.4645 -10.4645 -9.6987 -9.6987 -9.5570 -9.5570 -9.5546 -9.5546 -1.9224 -1.9224 -1.2865 -1.2865 -0.7770 -0.7770 -0.1974 -0.1974 0.4677 0.4677 0.5643 0.5643 0.7854 0.7854 2.9355 2.9355 3.2450 3.2450 3.3127 3.3127 4.6130 4.6130 4.6488 4.6488 4.8555 4.8555 5.4054 5.4054 5.5011 5.5011 6.0942 6.0942 6.1063 6.1063 6.5232 6.5232 12.2406 12.2406 12.3488 12.3488 12.3547 12.3547 13.1388 13.1388 13.5367 13.5367 k = 0.2794 0.1613 0.1141 ( 10819 PWs) bands (ev): -12.8917 -12.8917 -12.2270 -12.2270 -10.4606 -10.4606 -9.7115 -9.7115 -9.5572 -9.5572 -9.5549 -9.5549 -1.9229 -1.9229 -1.2944 -1.2944 -0.7916 -0.7916 -0.1720 -0.1720 0.4703 0.4703 0.5867 0.5867 0.8278 0.8278 2.9155 2.9155 3.2469 3.2469 3.3110 3.3110 4.6435 4.6435 4.6830 4.6830 4.8080 4.8080 5.3959 5.3959 5.4914 5.4914 6.0587 6.0587 6.0708 6.0708 6.5238 6.5238 12.2743 12.2743 12.3621 12.3621 12.3656 12.3656 13.1053 13.1053 13.5757 13.5758 k = 0.2941 0.1698 0.1201 ( 10819 PWs) bands (ev): -12.8798 -12.8798 -12.2376 -12.2376 -10.4566 -10.4566 -9.7243 -9.7243 -9.5575 -9.5575 -9.5551 -9.5551 -1.9234 -1.9234 -1.3008 -1.3008 -0.8056 -0.8056 -0.1465 -0.1465 0.4701 0.4701 0.6087 0.6087 0.8703 0.8703 2.8961 2.8961 3.2489 3.2489 3.3090 3.3090 4.6736 4.6736 4.7179 4.7179 4.7637 4.7637 5.3859 5.3859 5.4811 5.4811 6.0235 6.0235 6.0357 6.0357 6.5244 6.5244 12.2919 12.2919 12.3777 12.3777 12.3786 12.3786 13.0580 13.0580 13.5801 13.5829 k = 0.3088 0.1783 0.1261 ( 10819 PWs) bands (ev): -12.8678 -12.8678 -12.2483 -12.2483 -10.4526 -10.4526 -9.7368 -9.7368 -9.5577 -9.5577 -9.5553 -9.5553 -1.9238 -1.9238 -1.3058 -1.3058 -0.8190 -0.8190 -0.1210 -0.1210 0.4669 0.4669 0.6301 0.6301 0.9126 0.9126 2.8774 2.8774 3.2509 3.2509 3.3070 3.3070 4.6953 4.6953 4.7309 4.7309 4.7533 4.7533 5.3753 5.3753 5.4702 5.4702 5.9891 5.9891 6.0012 6.0012 6.5250 6.5250 12.2911 12.2911 12.3939 12.3939 12.3941 12.3941 13.0201 13.0201 13.5545 13.5563 k = 0.3235 0.1868 0.1321 ( 10825 PWs) bands (ev): -12.8557 -12.8557 -12.2589 -12.2589 -10.4487 -10.4487 -9.7490 -9.7490 -9.5579 -9.5579 -9.5556 -9.5556 -1.9243 -1.9243 -1.3094 -1.3094 -0.8316 -0.8316 -0.0956 -0.0956 0.4606 0.4606 0.6506 0.6506 0.9545 0.9545 2.8594 2.8594 3.2530 3.2530 3.3048 3.3048 4.6719 4.6719 4.7465 4.7465 4.7889 4.7889 5.3640 5.3640 5.4586 5.4586 5.9557 5.9557 5.9677 5.9677 6.5255 6.5255 12.2701 12.2701 12.4109 12.4109 12.4118 12.4118 13.0015 13.0015 13.5221 13.5225 k = 0.3382 0.1953 0.1381 ( 10810 PWs) bands (ev): -12.8438 -12.8438 -12.2696 -12.2696 -10.4449 -10.4449 -9.7608 -9.7608 -9.5581 -9.5581 -9.5558 -9.5558 -1.9249 -1.9249 -1.3118 -1.3118 -0.8435 -0.8435 -0.0701 -0.0701 0.4514 0.4514 0.6702 0.6702 0.9956 0.9956 2.8419 2.8419 3.2549 3.2549 3.3025 3.3025 4.6368 4.6368 4.7773 4.7773 4.8248 4.8248 5.3519 5.3519 5.4461 5.4461 5.9235 5.9235 5.9354 5.9354 6.5261 6.5261 12.2304 12.2304 12.4302 12.4302 12.4320 12.4320 13.0029 13.0029 13.4826 13.4836 k = 0.3529 0.2038 0.1441 ( 10837 PWs) bands (ev): -12.8322 -12.8322 -12.2800 -12.2800 -10.4411 -10.4411 -9.7721 -9.7721 -9.5583 -9.5583 -9.5560 -9.5560 -1.9255 -1.9255 -1.3131 -1.3131 -0.8545 -0.8545 -0.0446 -0.0446 0.4393 0.4393 0.6887 0.6887 1.0356 1.0356 2.8251 2.8251 3.2568 3.2568 3.3002 3.3002 4.6036 4.6036 4.8097 4.8097 4.8607 4.8607 5.3388 5.3388 5.4328 5.4328 5.8929 5.8929 5.9046 5.9046 6.5266 6.5266 12.1774 12.1774 12.4522 12.4522 12.4546 12.4546 13.0200 13.0200 13.4375 13.4395 k = 0.3676 0.2123 0.1501 ( 10831 PWs) bands (ev): -12.8209 -12.8209 -12.2901 -12.2901 -10.4375 -10.4375 -9.7827 -9.7827 -9.5585 -9.5585 -9.5562 -9.5562 -1.9261 -1.9261 -1.3134 -1.3134 -0.8647 -0.8647 -0.0191 -0.0191 0.4247 0.4247 0.7060 0.7060 1.0741 1.0741 2.8088 2.8088 3.2585 3.2585 3.2979 3.2979 4.5737 4.5737 4.8424 4.8424 4.8965 4.8965 5.3247 5.3247 5.4184 5.4184 5.8643 5.8643 5.8757 5.8757 6.5270 6.5270 12.1173 12.1173 12.4770 12.4770 12.4796 12.4796 13.0475 13.0475 13.3884 13.3905 k = 0.3824 0.2208 0.1561 ( 10816 PWs) bands (ev): -12.8101 -12.8101 -12.2998 -12.2998 -10.4342 -10.4342 -9.7925 -9.7925 -9.5587 -9.5587 -9.5563 -9.5563 -1.9267 -1.9267 -1.3130 -1.3130 -0.8738 -0.8738 0.0065 0.0065 0.4076 0.4076 0.7219 0.7219 1.1106 1.1106 2.7931 2.7931 3.2600 3.2600 3.2957 3.2957 4.5473 4.5473 4.8752 4.8752 4.9320 4.9320 5.3094 5.3094 5.4028 5.4028 5.8378 5.8378 5.8490 5.8490 6.5275 6.5275 12.0555 12.0555 12.5045 12.5045 12.5069 12.5069 13.0805 13.0805 13.3363 13.3379 k = 0.3971 0.2292 0.1621 ( 10810 PWs) bands (ev): -12.8001 -12.8001 -12.3089 -12.3089 -10.4310 -10.4310 -9.8015 -9.8015 -9.5589 -9.5589 -9.5565 -9.5565 -1.9274 -1.9274 -1.3120 -1.3120 -0.8820 -0.8820 0.0321 0.0321 0.3885 0.3885 0.7362 0.7362 1.1446 1.1446 2.7782 2.7782 3.2614 3.2614 3.2935 3.2935 4.5245 4.5245 4.9077 4.9077 4.9671 4.9671 5.2929 5.2929 5.3861 5.3861 5.8138 5.8138 5.8247 5.8247 6.5279 6.5279 11.9955 11.9955 12.5345 12.5345 12.5363 12.5363 13.1156 13.1156 13.2825 13.2826 k = 0.4118 0.2377 0.1681 ( 10831 PWs) bands (ev): -12.7908 -12.7908 -12.3173 -12.3173 -10.4282 -10.4282 -9.8095 -9.8095 -9.5590 -9.5590 -9.5566 -9.5566 -1.9280 -1.9280 -1.3106 -1.3106 -0.8892 -0.8892 0.0578 0.0578 0.3676 0.3676 0.7489 0.7489 1.1757 1.1757 2.7643 2.7643 3.2626 3.2626 3.2916 3.2916 4.5053 4.5053 4.9399 4.9399 5.0015 5.0015 5.2751 5.2751 5.3680 5.3680 5.7925 5.7925 5.8031 5.8031 6.5282 6.5282 11.9401 11.9401 12.5667 12.5667 12.5675 12.5675 13.1500 13.1500 13.2284 13.2285 k = 0.4265 0.2462 0.1741 ( 10826 PWs) bands (ev): -12.7826 -12.7826 -12.3247 -12.3247 -10.4257 -10.4257 -9.8165 -9.8165 -9.5591 -9.5591 -9.5568 -9.5568 -1.9286 -1.9286 -1.3091 -1.3091 -0.8953 -0.8953 0.0835 0.0835 0.3453 0.3453 0.7599 0.7599 1.2032 1.2032 2.7516 2.7516 3.2636 3.2636 3.2898 3.2898 4.4894 4.4894 4.9714 4.9714 5.0349 5.0349 5.2559 5.2559 5.3487 5.3487 5.7742 5.7742 5.7846 5.7846 6.5285 6.5285 11.8909 11.8909 12.6002 12.6002 12.6006 12.6006 13.1700 13.1700 13.1868 13.1868 k = 0.4412 0.2547 0.1801 ( 10838 PWs) bands (ev): -12.7755 -12.7755 -12.3311 -12.3311 -10.4236 -10.4236 -9.8223 -9.8223 -9.5592 -9.5592 -9.5569 -9.5569 -1.9291 -1.9291 -1.3075 -1.3075 -0.9004 -0.9004 0.1092 0.1092 0.3220 0.3220 0.7690 0.7690 1.2267 1.2267 2.7405 2.7405 3.2644 3.2644 3.2883 3.2883 4.4768 4.4768 5.0021 5.0021 5.0669 5.0669 5.2356 5.2356 5.3284 5.3284 5.7589 5.7590 5.7692 5.7692 6.5287 6.5287 11.8493 11.8493 12.6333 12.6333 12.6354 12.6354 13.1213 13.1213 13.1375 13.1375 k = 0.4559 0.2632 0.1861 ( 10841 PWs) bands (ev): -12.7698 -12.7698 -12.3363 -12.3363 -10.4219 -10.4219 -9.8269 -9.8269 -9.5593 -9.5593 -9.5569 -9.5569 -1.9295 -1.9295 -1.3061 -1.3061 -0.9043 -0.9043 0.1347 0.1347 0.2980 0.2980 0.7762 0.7762 1.2455 1.2455 2.7314 2.7314 3.2650 3.2650 3.2870 3.2870 4.4672 4.4672 5.0313 5.0313 5.0969 5.0969 5.2145 5.2145 5.3077 5.3077 5.7470 5.7470 5.7571 5.7571 6.5289 6.5289 11.8161 11.8161 12.6655 12.6655 12.6699 12.6699 13.0733 13.0733 13.0920 13.0920 k = 0.4706 0.2717 0.1921 ( 10835 PWs) bands (ev): -12.7656 -12.7656 -12.3402 -12.3402 -10.4207 -10.4207 -9.8302 -9.8302 -9.5594 -9.5594 -9.5570 -9.5570 -1.9299 -1.9299 -1.3050 -1.3050 -0.9072 -0.9072 0.1596 0.1596 0.2740 0.2740 0.7814 0.7814 1.2594 1.2594 2.7246 2.7246 3.2654 3.2654 3.2861 3.2861 4.4605 4.4605 5.0582 5.0582 5.1235 5.1235 5.1935 5.1935 5.2878 5.2878 5.7384 5.7384 5.7484 5.7484 6.5291 6.5291 11.7920 11.7920 12.6942 12.6942 12.7014 12.7014 13.0318 13.0318 13.0535 13.0535 k = 0.4853 0.2802 0.1981 ( 10835 PWs) bands (ev): -12.7631 -12.7631 -12.3425 -12.3425 -10.4200 -10.4200 -9.8323 -9.8323 -9.5594 -9.5594 -9.5570 -9.5570 -1.9301 -1.9301 -1.3043 -1.3043 -0.9089 -0.9089 0.1823 0.1823 0.2518 0.2518 0.7845 0.7845 1.2678 1.2678 2.7204 2.7204 3.2657 3.2657 3.2856 3.2856 4.4566 4.4566 5.0802 5.0802 5.1436 5.1436 5.1751 5.1751 5.2717 5.2717 5.7332 5.7332 5.7431 5.7431 6.5292 6.5292 11.7774 11.7774 12.7151 12.7151 12.7252 12.7252 13.0019 13.0019 13.0266 13.0266 k = 0.5000 0.2887 0.2041 ( 10790 PWs) bands (ev): -12.7622 -12.7622 -12.3433 -12.3433 -10.4197 -10.4197 -9.8329 -9.8329 -9.5594 -9.5594 -9.5570 -9.5570 -1.9301 -1.9301 -1.3040 -1.3040 -0.9094 -0.9094 0.1944 0.1944 0.2398 0.2398 0.7855 0.7855 1.2707 1.2707 2.7189 2.7189 3.2658 3.2658 3.2854 3.2854 4.4553 4.4553 5.0898 5.0898 5.1516 5.1516 5.1666 5.1666 5.2650 5.2650 5.7315 5.7315 5.7414 5.7414 6.5292 6.5292 11.7725 11.7725 12.7230 12.7230 12.7345 12.7345 12.9906 12.9906 13.0167 13.0167 k = 0.5000 0.2887 0.2041 ( 10790 PWs) bands (ev): -12.7622 -12.7622 -12.3433 -12.3433 -10.4197 -10.4197 -9.8329 -9.8329 -9.5594 -9.5594 -9.5570 -9.5570 -1.9301 -1.9301 -1.3040 -1.3040 -0.9094 -0.9094 0.1944 0.1944 0.2398 0.2398 0.7855 0.7855 1.2707 1.2707 2.7189 2.7189 3.2658 3.2658 3.2854 3.2854 4.4553 4.4553 5.0898 5.0898 5.1516 5.1516 5.1666 5.1666 5.2650 5.2650 5.7315 5.7315 5.7414 5.7414 6.5292 6.5292 11.7725 11.7725 12.7230 12.7230 12.7345 12.7345 12.9906 12.9906 13.0167 13.0167 k = 0.5052 0.2736 0.2126 ( 10825 PWs) bands (ev): -12.7619 -12.7619 -12.3436 -12.3436 -10.4194 -10.4194 -9.8336 -9.8336 -9.5594 -9.5594 -9.5570 -9.5570 -1.9298 -1.9298 -1.3052 -1.3052 -0.9083 -0.9083 0.1928 0.1928 0.2417 0.2417 0.7856 0.7856 1.2718 1.2718 2.7165 2.7165 3.2670 3.2670 3.2865 3.2865 4.4551 4.4551 5.0896 5.0896 5.1510 5.1510 5.1676 5.1676 5.2654 5.2654 5.7309 5.7309 5.7408 5.7408 6.5278 6.5278 11.7727 11.7727 12.7170 12.7170 12.7298 12.7298 12.9930 12.9930 13.0186 13.0186 k = 0.5104 0.2586 0.2211 ( 10823 PWs) bands (ev): -12.7608 -12.7608 -12.3445 -12.3445 -10.4183 -10.4183 -9.8357 -9.8357 -9.5593 -9.5593 -9.5569 -9.5569 -1.9286 -1.9286 -1.3086 -1.3086 -0.9051 -0.9051 0.1885 0.1885 0.2469 0.2469 0.7859 0.7859 1.2752 1.2752 2.7094 2.7094 3.2704 3.2704 3.2900 3.2900 4.4548 4.4548 5.0890 5.0890 5.1494 5.1494 5.1703 5.1703 5.2664 5.2664 5.7289 5.7289 5.7392 5.7392 6.5238 6.5238 11.7734 11.7734 12.6970 12.6970 12.7201 12.7201 12.9982 12.9982 13.0243 13.0243 k = 0.5156 0.2436 0.2296 ( 10836 PWs) bands (ev): -12.7590 -12.7590 -12.3460 -12.3460 -10.4166 -10.4166 -9.8391 -9.8391 -9.5592 -9.5592 -9.5566 -9.5566 -1.9268 -1.9268 -1.3142 -1.3142 -0.8998 -0.8998 0.1827 0.1827 0.2541 0.2541 0.7864 0.7864 1.2808 1.2808 2.6979 2.6979 3.2752 3.2752 3.2962 3.2962 4.4543 4.4543 5.0880 5.0880 5.1474 5.1474 5.1742 5.1742 5.2682 5.2682 5.7249 5.7249 5.7372 5.7372 6.5172 6.5172 11.7744 11.7744 12.6656 12.6656 12.7076 12.7076 13.0011 13.0011 13.0352 13.0352 k = 0.5208 0.2285 0.2381 ( 10830 PWs) bands (ev): -12.7566 -12.7566 -12.3481 -12.3481 -10.4141 -10.4141 -9.8438 -9.8438 -9.5591 -9.5591 -9.5562 -9.5562 -1.9242 -1.9242 -1.3217 -1.3217 -0.8926 -0.8926 0.1760 0.1760 0.2627 0.2627 0.7871 0.7871 1.2886 1.2886 2.6825 2.6825 3.2809 3.2809 3.3052 3.3052 4.4538 4.4538 5.0865 5.0865 5.1451 5.1451 5.1789 5.1789 5.2709 5.2709 5.7187 5.7187 5.7350 5.7350 6.5081 6.5081 11.7755 11.7755 12.6275 12.6275 12.6925 12.6925 12.9984 12.9984 13.0523 13.0523 k = 0.5260 0.2135 0.2467 ( 10824 PWs) bands (ev): -12.7535 -12.7535 -12.3508 -12.3508 -10.4110 -10.4110 -9.8498 -9.8498 -9.5592 -9.5592 -9.5557 -9.5557 -1.9210 -1.9210 -1.3310 -1.3310 -0.8838 -0.8838 0.1688 0.1688 0.2722 0.2722 0.7881 0.7881 1.2986 1.2986 2.6636 2.6636 3.2871 3.2871 3.3166 3.3166 4.4533 4.4533 5.0844 5.0844 5.1428 5.1428 5.1842 5.1842 5.2745 5.2745 5.7104 5.7104 5.7327 5.7327 6.4965 6.4965 11.7764 11.7764 12.5862 12.5862 12.6755 12.6755 12.9909 12.9909 13.0739 13.0739 k = 0.5312 0.1985 0.2552 ( 10827 PWs) bands (ev): -12.7497 -12.7497 -12.3542 -12.3542 -10.4072 -10.4072 -9.8570 -9.8570 -9.5593 -9.5593 -9.5549 -9.5549 -1.9171 -1.9171 -1.3417 -1.3417 -0.8735 -0.8735 0.1613 0.1613 0.2823 0.2823 0.7895 0.7895 1.3106 1.3106 2.6418 2.6418 3.2940 3.2940 3.3299 3.3299 4.4531 4.4531 5.0816 5.0816 5.1404 5.1404 5.1901 5.1901 5.2791 5.2791 5.7001 5.7001 5.7301 5.7301 6.4827 6.4827 11.7765 11.7765 12.5439 12.5439 12.6572 12.6572 12.9806 12.9806 13.0987 13.0987 k = 0.5365 0.1834 0.2637 ( 10817 PWs) bands (ev): -12.7452 -12.7452 -12.3581 -12.3581 -10.4027 -10.4027 -9.8653 -9.8653 -9.5595 -9.5595 -9.5541 -9.5541 -1.9126 -1.9126 -1.3537 -1.3537 -0.8620 -0.8620 0.1534 0.1534 0.2930 0.2930 0.7914 0.7914 1.3247 1.3247 2.6175 2.6175 3.3014 3.3014 3.3442 3.3442 4.4532 4.4532 5.0780 5.0780 5.1381 5.1381 5.1964 5.1964 5.2850 5.2850 5.6882 5.6882 5.7270 5.7270 6.4667 6.4667 11.7755 11.7755 12.5022 12.5022 12.6384 12.6384 12.9694 12.9694 13.1260 13.1260 k = 0.5417 0.1684 0.2722 ( 10825 PWs) bands (ev): -12.7401 -12.7401 -12.3625 -12.3625 -10.3975 -10.3975 -9.8747 -9.8747 -9.5598 -9.5598 -9.5533 -9.5533 -1.9075 -1.9075 -1.3666 -1.3666 -0.8495 -0.8495 0.1452 0.1452 0.3041 0.3041 0.7937 0.7937 1.3406 1.3406 2.5910 2.5910 3.3096 3.3096 3.3591 3.3591 4.4540 4.4540 5.0734 5.0734 5.1359 5.1359 5.2030 5.2030 5.2921 5.2921 5.6748 5.6748 5.7233 5.7233 6.4490 6.4490 11.7727 11.7727 12.4626 12.4626 12.6194 12.6194 12.9589 12.9589 13.1551 13.1551 k = 0.5469 0.1534 0.2807 ( 10822 PWs) bands (ev): -12.7343 -12.7343 -12.3676 -12.3676 -10.3917 -10.3917 -9.8850 -9.8850 -9.5601 -9.5601 -9.5524 -9.5524 -1.9019 -1.9019 -1.3804 -1.3804 -0.8361 -0.8361 0.1366 0.1366 0.3156 0.3156 0.7965 0.7965 1.3584 1.3584 2.5628 2.5628 3.3185 3.3185 3.3739 3.3739 4.4555 4.4555 5.0678 5.0678 5.1339 5.1339 5.2098 5.2098 5.3005 5.3005 5.6602 5.6602 5.7187 5.7187 6.4296 6.4296 11.7674 11.7674 12.4263 12.4263 12.6005 12.6005 12.9503 12.9503 13.1858 13.1858 k = 0.5521 0.1383 0.2892 ( 10830 PWs) bands (ev): -12.7280 -12.7280 -12.3732 -12.3732 -10.3851 -10.3851 -9.8961 -9.8961 -9.5605 -9.5605 -9.5516 -9.5516 -1.8958 -1.8958 -1.3947 -1.3947 -0.8219 -0.8219 0.1276 0.1276 0.3275 0.3275 0.8000 0.8000 1.3780 1.3780 2.5330 2.5330 3.3279 3.3279 3.3883 3.3883 4.4579 4.4579 5.0611 5.0611 5.1319 5.1319 5.2168 5.2168 5.3101 5.3101 5.6448 5.6448 5.7133 5.7133 6.4088 6.4088 11.7591 11.7591 12.3943 12.3943 12.5820 12.5820 12.9445 12.9445 13.2179 13.2179 k = 0.5573 0.1233 0.2977 ( 10830 PWs) bands (ev): -12.7211 -12.7211 -12.3794 -12.3794 -10.3780 -10.3780 -9.9081 -9.9081 -9.5609 -9.5609 -9.5508 -9.5508 -1.8894 -1.8894 -1.4095 -1.4095 -0.8072 -0.8072 0.1181 0.1181 0.3396 0.3396 0.8040 0.8040 1.3993 1.3993 2.5019 2.5019 3.3379 3.3379 3.4021 3.4021 4.4613 4.4613 5.0533 5.0533 5.1301 5.1301 5.2240 5.2240 5.3207 5.3207 5.6289 5.6289 5.7068 5.7068 6.3870 6.3870 11.7475 11.7475 12.3675 12.3675 12.5642 12.5642 12.9423 12.9423 13.2511 13.2511 k = 0.5625 0.1083 0.3062 ( 10822 PWs) bands (ev): -12.7136 -12.7136 -12.3861 -12.3861 -10.3702 -10.3702 -9.9207 -9.9207 -9.5613 -9.5613 -9.5501 -9.5501 -1.8826 -1.8826 -1.4246 -1.4246 -0.7920 -0.7920 0.1080 0.1080 0.3520 0.3520 0.8086 0.8086 1.4221 1.4221 2.4696 2.4696 3.3484 3.3484 3.4149 3.4149 4.4659 4.4659 5.0445 5.0445 5.1284 5.1284 5.2314 5.2314 5.3320 5.3320 5.6129 5.6129 5.6990 5.6990 6.3646 6.3646 11.7323 11.7323 12.3462 12.3462 12.5472 12.5472 12.9443 12.9443 13.2854 13.2854 k = 0.5677 0.0932 0.3147 ( 10820 PWs) bands (ev): -12.7056 -12.7056 -12.3933 -12.3933 -10.3617 -10.3617 -9.9339 -9.9339 -9.5618 -9.5618 -9.5495 -9.5495 -1.8756 -1.8756 -1.4398 -1.4398 -0.7765 -0.7765 0.0973 0.0973 0.3646 0.3646 0.8137 0.8137 1.4463 1.4463 2.4363 2.4363 3.3592 3.3592 3.4267 3.4267 4.4716 4.4716 5.0345 5.0345 5.1268 5.1268 5.2393 5.2393 5.3434 5.3434 5.5976 5.5976 5.6898 5.6898 6.3417 6.3417 11.7139 11.7139 12.3306 12.3306 12.5312 12.5312 12.9507 12.9507 13.3205 13.3205 k = 0.5729 0.0782 0.3232 ( 10824 PWs) bands (ev): -12.6971 -12.6971 -12.4009 -12.4009 -10.3527 -10.3527 -9.9475 -9.9475 -9.5622 -9.5622 -9.5490 -9.5490 -1.8684 -1.8684 -1.4550 -1.4550 -0.7606 -0.7606 0.0861 0.0861 0.3774 0.3774 0.8193 0.8193 1.4719 1.4719 2.4019 2.4019 3.3702 3.3702 3.4374 3.4374 4.4784 4.4784 5.0236 5.0236 5.1252 5.1252 5.2475 5.2475 5.3544 5.3544 5.5836 5.5836 5.6790 5.6790 6.3189 6.3189 11.6929 11.6929 12.3202 12.3202 12.5163 12.5163 12.9617 12.9617 13.3563 13.3563 k = 0.5781 0.0631 0.3317 ( 10821 PWs) bands (ev): -12.6882 -12.6882 -12.4091 -12.4091 -10.3432 -10.3432 -9.9616 -9.9616 -9.5627 -9.5627 -9.5486 -9.5486 -1.8611 -1.8611 -1.4702 -1.4702 -0.7445 -0.7445 0.0743 0.0743 0.3905 0.3905 0.8253 0.8253 1.4988 1.4988 2.3667 2.3667 3.3813 3.3813 3.4469 3.4469 4.4863 4.4863 5.0117 5.0117 5.1238 5.1238 5.2563 5.2563 5.3638 5.3638 5.5722 5.5722 5.6664 5.6664 6.2965 6.2965 11.6701 11.6701 12.3142 12.3142 12.5028 12.5028 12.9775 12.9775 13.3923 13.3923 k = 0.5833 0.0481 0.3402 ( 10819 PWs) bands (ev): -12.6790 -12.6790 -12.4176 -12.4176 -10.3332 -10.3332 -9.9758 -9.9758 -9.5631 -9.5631 -9.5484 -9.5484 -1.8538 -1.8538 -1.4851 -1.4851 -0.7283 -0.7283 0.0620 0.0620 0.4037 0.4037 0.8317 0.8317 1.5267 1.5267 2.3307 2.3307 3.3924 3.3924 3.4552 3.4552 4.4952 4.4952 4.9990 4.9990 5.1225 5.1225 5.2656 5.2656 5.3705 5.3705 5.5646 5.5646 5.6520 5.6520 6.2748 6.2748 11.6467 11.6467 12.3117 12.3117 12.4906 12.4906 12.9979 12.9979 13.4225 13.4231 k = 0.5885 0.0331 0.3487 ( 10821 PWs) bands (ev): -12.6694 -12.6694 -12.4265 -12.4265 -10.3228 -10.3228 -9.9902 -9.9902 -9.5636 -9.5636 -9.5483 -9.5483 -1.8466 -1.8466 -1.4998 -1.4998 -0.7121 -0.7121 0.0492 0.0492 0.4171 0.4171 0.8382 0.8382 1.5554 1.5554 2.2940 2.2940 3.4032 3.4032 3.4625 3.4625 4.5050 4.5050 4.9855 4.9855 5.1213 5.1213 5.2754 5.2754 5.3733 5.3733 5.5622 5.5622 5.6356 5.6356 6.2541 6.2541 11.6237 11.6237 12.3116 12.3116 12.4801 12.4801 13.0227 13.0227 13.3902 13.3902 k = 0.5938 0.0180 0.3572 ( 10815 PWs) bands (ev): -12.6596 -12.6596 -12.4356 -12.4356 -10.3120 -10.3120 -10.0045 -10.0045 -9.5641 -9.5641 -9.5484 -9.5484 -1.8397 -1.8397 -1.5140 -1.5140 -0.6960 -0.6960 0.0361 0.0361 0.4307 0.4307 0.8447 0.8447 1.5847 1.5847 2.2569 2.2569 3.4137 3.4137 3.4688 3.4688 4.5153 4.5153 4.9714 4.9714 5.1204 5.1204 5.2857 5.2857 5.3715 5.3715 5.5655 5.5655 5.6173 5.6173 6.2348 6.2348 11.6022 11.6022 12.3124 12.3124 12.4711 12.4711 13.0516 13.0516 13.3420 13.3420 k = 0.5990 0.0030 0.3657 ( 10819 PWs) bands (ev): -12.6497 -12.6497 -12.4449 -12.4449 -10.3011 -10.3011 -10.0185 -10.0185 -9.5645 -9.5645 -9.5486 -9.5486 -1.8330 -1.8330 -1.5277 -1.5277 -0.6801 -0.6801 0.0227 0.0227 0.4444 0.4444 0.8512 0.8512 1.6143 1.6143 2.2195 2.2195 3.4238 3.4238 3.4740 3.4740 4.5261 4.5261 4.9569 4.9569 5.1198 5.1198 5.2961 5.2961 5.3658 5.3658 5.5740 5.5740 5.5977 5.5977 6.2171 6.2171 11.5831 11.5831 12.3130 12.3130 12.4640 12.4640 13.0838 13.0838 13.2916 13.2916 k = 0.6042-0.0120 0.3742 ( 10816 PWs) bands (ev): -12.6399 -12.6399 -12.4542 -12.4542 -10.2901 -10.2901 -10.0321 -10.0321 -9.5650 -9.5650 -9.5489 -9.5489 -1.8267 -1.8267 -1.5408 -1.5408 -0.6645 -0.6645 0.0093 0.0093 0.4583 0.4583 0.8574 0.8574 1.6437 1.6437 2.1823 2.1823 3.4332 3.4332 3.4785 3.4785 4.5370 4.5370 4.9421 4.9421 5.1196 5.1196 5.3061 5.3061 5.3573 5.3573 5.5723 5.5723 5.5914 5.5914 6.2011 6.2011 11.5672 11.5672 12.3118 12.3118 12.4588 12.4588 13.1171 13.1172 13.2438 13.2438 k = 0.6094-0.0271 0.3827 ( 10811 PWs) bands (ev): -12.6304 -12.6304 -12.4633 -12.4633 -10.2794 -10.2794 -10.0449 -10.0449 -9.5654 -9.5654 -9.5493 -9.5493 -1.8210 -1.8210 -1.5531 -1.5531 -0.6495 -0.6495 -0.0041 -0.0041 0.4724 0.4724 0.8632 0.8632 1.6720 1.6720 2.1460 2.1460 3.4419 3.4419 3.4821 3.4821 4.5476 4.5476 4.9272 4.9272 5.1199 5.1199 5.3141 5.3141 5.3488 5.3488 5.5504 5.5504 5.6079 5.6079 6.1870 6.1870 11.5551 11.5551 12.3075 12.3075 12.4555 12.4555 13.1398 13.1398 13.2126 13.2126 k = 0.6146-0.0421 0.3912 ( 10812 PWs) bands (ev): -12.6214 -12.6214 -12.4719 -12.4719 -10.2692 -10.2692 -10.0566 -10.0566 -9.5658 -9.5658 -9.5499 -9.5499 -1.8159 -1.8159 -1.5644 -1.5644 -0.6353 -0.6353 -0.0172 -0.0172 0.4866 0.4866 0.8686 0.8686 1.6982 1.6982 2.1116 2.1116 3.4497 3.4497 3.4849 3.4849 4.5576 4.5576 4.9127 4.9127 5.1208 5.1208 5.3156 5.3156 5.3446 5.3446 5.5273 5.5273 5.6282 5.6282 6.1747 6.1747 11.5473 11.5473 12.2987 12.2987 12.4542 12.4542 13.1231 13.1231 13.2288 13.2288 k = 0.6198-0.0571 0.3997 ( 10822 PWs) bands (ev): -12.6136 -12.6136 -12.4795 -12.4795 -10.2601 -10.2601 -10.0667 -10.0667 -9.5662 -9.5662 -9.5505 -9.5505 -1.8116 -1.8116 -1.5747 -1.5747 -0.6219 -0.6219 -0.0299 -0.0299 0.5010 0.5010 0.8733 0.8733 1.7204 1.7204 2.0810 2.0810 3.4565 3.4565 3.4871 3.4871 4.5666 4.5666 4.8988 4.8988 5.1223 5.1223 5.3086 5.3086 5.3463 5.3463 5.5058 5.5058 5.6507 5.6507 6.1641 6.1641 11.5440 11.5440 12.2843 12.2843 12.4551 12.4551 13.0911 13.0911 13.2699 13.2699 k = 0.6250-0.0722 0.4082 ( 10828 PWs) bands (ev): -12.6075 -12.6075 -12.4854 -12.4854 -10.2526 -10.2526 -10.0745 -10.0745 -9.5665 -9.5665 -9.5513 -9.5513 -1.8083 -1.8083 -1.5838 -1.5838 -0.6097 -0.6097 -0.0421 -0.0421 0.5156 0.5156 0.8773 0.8773 1.7358 1.7358 2.0568 2.0568 3.4622 3.4622 3.4886 3.4886 4.5741 4.5741 4.8860 4.8860 5.1245 5.1245 5.2981 5.2981 5.3464 5.3464 5.4889 5.4889 5.6746 5.6746 6.1554 6.1554 11.5454 11.5454 12.2636 12.2636 12.4582 12.4582 13.0635 13.0635 13.3175 13.3175 k = 0.6250-0.0722 0.4082 ( 10828 PWs) bands (ev): -12.6075 -12.6075 -12.4854 -12.4854 -10.2526 -10.2526 -10.0745 -10.0745 -9.5665 -9.5665 -9.5513 -9.5513 -1.8083 -1.8083 -1.5838 -1.5838 -0.6097 -0.6097 -0.0421 -0.0421 0.5156 0.5156 0.8773 0.8773 1.7358 1.7358 2.0568 2.0568 3.4622 3.4622 3.4886 3.4886 4.5741 4.5741 4.8860 4.8860 5.1245 5.1245 5.2981 5.2981 5.3464 5.3464 5.4889 5.4889 5.6746 5.6746 6.1554 6.1554 11.5454 11.5454 12.2636 12.2636 12.4582 12.4582 13.0635 13.0635 13.3175 13.3175 k = 0.6161-0.0670 0.4228 ( 10805 PWs) bands (ev): -12.6072 -12.6072 -12.4857 -12.4857 -10.2522 -10.2522 -10.0751 -10.0751 -9.5664 -9.5664 -9.5513 -9.5513 -1.8080 -1.8080 -1.5839 -1.5839 -0.6097 -0.6097 -0.0420 -0.0420 0.5151 0.5151 0.8773 0.8773 1.7367 1.7367 2.0565 2.0565 3.4618 3.4618 3.4884 3.4884 4.5753 4.5753 4.8851 4.8851 5.1254 5.1254 5.2971 5.2971 5.3477 5.3477 5.4874 5.4874 5.6768 5.6768 6.1534 6.1534 11.5465 11.5465 12.2448 12.2448 12.4767 12.4767 13.0640 13.0640 13.3203 13.3203 k = 0.6071-0.0619 0.4374 ( 10805 PWs) bands (ev): -12.6062 -12.6062 -12.4867 -12.4867 -10.2509 -10.2509 -10.0769 -10.0769 -9.5661 -9.5661 -9.5514 -9.5514 -1.8071 -1.8071 -1.5843 -1.5843 -0.6100 -0.6100 -0.0416 -0.0416 0.5138 0.5138 0.8774 0.8774 1.7396 1.7396 2.0556 2.0556 3.4607 3.4607 3.4877 3.4877 4.5788 4.5788 4.8825 4.8825 5.1280 5.1280 5.2944 5.2944 5.3511 5.3511 5.4832 5.4832 5.6829 5.6829 6.1477 6.1477 11.5497 11.5497 12.2016 12.2016 12.5190 12.5190 13.0655 13.0655 13.3290 13.3290 k = 0.5982-0.0567 0.4520 ( 10803 PWs) bands (ev): -12.6045 -12.6045 -12.4882 -12.4882 -10.2487 -10.2487 -10.0798 -10.0798 -9.5655 -9.5655 -9.5515 -9.5515 -1.8056 -1.8056 -1.5850 -1.5850 -0.6104 -0.6104 -0.0410 -0.0410 0.5117 0.5117 0.8776 0.8776 1.7443 1.7443 2.0539 2.0539 3.4589 3.4589 3.4866 3.4866 4.5845 4.5845 4.8783 4.8783 5.1323 5.1323 5.2906 5.2906 5.3563 5.3563 5.4767 5.4767 5.6926 5.6926 6.1383 6.1383 11.5550 11.5550 12.1493 12.1493 12.5697 12.5697 13.0678 13.0678 13.3435 13.3435 k = 0.5893-0.0515 0.4666 ( 10811 PWs) bands (ev): -12.6022 -12.6022 -12.4904 -12.4904 -10.2457 -10.2457 -10.0839 -10.0839 -9.5648 -9.5648 -9.5517 -9.5517 -1.8036 -1.8036 -1.5860 -1.5860 -0.6109 -0.6109 -0.0403 -0.0403 0.5088 0.5088 0.8779 0.8779 1.7509 1.7509 2.0513 2.0513 3.4567 3.4567 3.4851 3.4851 4.5924 4.5924 4.8725 4.8725 5.1380 5.1380 5.2860 5.2860 5.3626 5.3626 5.4688 5.4688 5.7050 5.7050 6.1254 6.1254 11.5623 11.5623 12.0945 12.0945 12.6222 12.6222 13.0709 13.0709 13.3638 13.3638 k = 0.5804-0.0464 0.4811 ( 10809 PWs) bands (ev): -12.5993 -12.5993 -12.4932 -12.4932 -10.2418 -10.2418 -10.0891 -10.0891 -9.5639 -9.5639 -9.5519 -9.5519 -1.8012 -1.8012 -1.5871 -1.5871 -0.6116 -0.6116 -0.0393 -0.0393 0.5053 0.5053 0.8782 0.8782 1.7594 1.7594 2.0477 2.0477 3.4543 3.4543 3.4833 3.4833 4.6021 4.6021 4.8654 4.8654 5.1450 5.1450 5.2809 5.2809 5.3696 5.3696 5.4601 5.4601 5.7197 5.7197 6.1091 6.1091 11.5714 11.5714 12.0398 12.0398 12.6739 12.6739 13.0744 13.0744 13.3898 13.3899 k = 0.5714-0.0412 0.4957 ( 10813 PWs) bands (ev): -12.5957 -12.5957 -12.4966 -12.4966 -10.2371 -10.2371 -10.0953 -10.0953 -9.5629 -9.5629 -9.5521 -9.5521 -1.7984 -1.7984 -1.5884 -1.5884 -0.6123 -0.6123 -0.0382 -0.0382 0.5012 0.5012 0.8786 0.8786 1.7697 1.7697 2.0427 2.0427 3.4518 3.4518 3.4810 3.4810 4.6135 4.6135 4.8570 4.8570 5.1530 5.1530 5.2756 5.2756 5.3770 5.3770 5.4511 5.4511 5.7360 5.7360 6.0899 6.0899 11.5821 11.5821 11.9868 11.9868 12.7234 12.7234 13.0782 13.0782 13.4215 13.4215 k = 0.5625-0.0361 0.5103 ( 10809 PWs) bands (ev): -12.5915 -12.5915 -12.5007 -12.5007 -10.2315 -10.2315 -10.1024 -10.1024 -9.5619 -9.5619 -9.5524 -9.5524 -1.7955 -1.7955 -1.5898 -1.5898 -0.6130 -0.6130 -0.0370 -0.0370 0.4969 0.4969 0.8791 0.8791 1.7819 1.7819 2.0363 2.0363 3.4496 3.4496 3.4785 3.4785 4.6263 4.6263 4.8474 4.8474 5.1618 5.1618 5.2701 5.2701 5.3845 5.3845 5.4424 5.4424 5.7536 5.7536 6.0682 6.0682 11.5944 11.5944 11.9364 11.9364 12.7701 12.7701 13.0816 13.0816 13.4584 13.4584 k = 0.5536-0.0309 0.5249 ( 10805 PWs) bands (ev): -12.5866 -12.5866 -12.5053 -12.5053 -10.2251 -10.2251 -10.1103 -10.1103 -9.5608 -9.5608 -9.5527 -9.5527 -1.7925 -1.7925 -1.5913 -1.5913 -0.6137 -0.6137 -0.0358 -0.0358 0.4923 0.4923 0.8797 0.8797 1.7958 1.7958 2.0280 2.0280 3.4479 3.4479 3.4756 3.4756 4.6403 4.6403 4.8369 4.8369 5.1711 5.1711 5.2644 5.2644 5.3918 5.3918 5.4344 5.4344 5.7722 5.7722 6.0443 6.0443 11.6079 11.6079 11.8893 11.8893 12.8136 12.8136 13.0843 13.0843 13.5000 13.5000 k = 0.5446-0.0258 0.5395 ( 10805 PWs) bands (ev): -12.5812 -12.5812 -12.5106 -12.5106 -10.2180 -10.2180 -10.1190 -10.1190 -9.5597 -9.5597 -9.5531 -9.5531 -1.7895 -1.7895 -1.5927 -1.5927 -0.6143 -0.6143 -0.0345 -0.0345 0.4878 0.4878 0.8803 0.8803 1.8115 1.8115 2.0177 2.0177 3.4468 3.4468 3.4725 3.4725 4.6550 4.6550 4.8255 4.8255 5.1808 5.1808 5.2584 5.2584 5.3985 5.3985 5.4276 5.4276 5.7915 5.7915 6.0188 6.0188 11.6224 11.6224 11.8460 11.8460 12.8541 12.8541 13.0853 13.0853 13.5454 13.5454 k = 0.5357-0.0206 0.5541 ( 10806 PWs) bands (ev): -12.5752 -12.5752 -12.5164 -12.5164 -10.2100 -10.2100 -10.1284 -10.1284 -9.5586 -9.5586 -9.5535 -9.5535 -1.7868 -1.7868 -1.5940 -1.5940 -0.6149 -0.6149 -0.0334 -0.0334 0.4836 0.4836 0.8808 0.8808 1.8287 1.8287 2.0054 2.0054 3.4465 3.4465 3.4693 3.4693 4.6701 4.6701 4.8135 4.8135 5.1905 5.1905 5.2523 5.2523 5.4038 5.4038 5.4227 5.4227 5.8113 5.8113 5.9923 5.9923 11.6376 11.6376 11.8071 11.8071 12.8917 12.8917 13.0837 13.0837 13.5936 13.5936 k = 0.5268-0.0155 0.5686 ( 10807 PWs) bands (ev): -12.5686 -12.5686 -12.5228 -12.5228 -10.2013 -10.2013 -10.1383 -10.1383 -9.5577 -9.5577 -9.5539 -9.5539 -1.7845 -1.7845 -1.5951 -1.5951 -0.6153 -0.6153 -0.0323 -0.0323 0.4799 0.4799 0.8814 0.8814 1.8472 1.8472 1.9909 1.9909 3.4471 3.4471 3.4659 3.4659 4.6850 4.6850 4.8013 4.8013 5.2001 5.2001 5.2460 5.2460 5.4067 5.4067 5.4206 5.4206 5.8315 5.8315 5.9657 5.9657 11.6532 11.6532 11.7730 11.7730 12.9267 12.9267 13.0783 13.0783 13.6434 13.6434 k = 0.5179-0.0103 0.5832 ( 10803 PWs) bands (ev): -12.5614 -12.5614 -12.5299 -12.5299 -10.1918 -10.1918 -10.1487 -10.1487 -9.5568 -9.5568 -9.5543 -9.5543 -1.7827 -1.7827 -1.5960 -1.5960 -0.6156 -0.6156 -0.0314 -0.0314 0.4770 0.4770 0.8818 0.8818 1.8664 1.8664 1.9749 1.9749 3.4486 3.4486 3.4625 3.4625 4.6989 4.6989 4.7895 4.7895 5.2092 5.2092 5.2395 5.2395 5.4073 5.4073 5.4210 5.4210 5.8518 5.8518 5.9398 5.9398 11.6688 11.6688 11.7442 11.7442 12.9594 12.9594 13.0679 13.0679 13.6931 13.6931 k = 0.5089-0.0052 0.5978 ( 10795 PWs) bands (ev): -12.5538 -12.5538 -12.5374 -12.5374 -10.1816 -10.1816 -10.1595 -10.1595 -9.5561 -9.5561 -9.5548 -9.5548 -1.7816 -1.7816 -1.5966 -1.5966 -0.6158 -0.6158 -0.0309 -0.0309 0.4751 0.4751 0.8822 0.8822 1.8842 1.8842 1.9590 1.9590 3.4507 3.4507 3.4592 3.4592 4.7098 4.7098 4.7799 4.7799 5.2175 5.2175 5.2328 5.2328 5.4075 5.4075 5.4217 5.4217 5.8719 5.8719 5.9157 5.9157 11.6835 11.6835 11.7216 11.7216 12.9894 12.9894 13.0517 13.0517 13.7409 13.7409 k = 0.5000 0.0000 0.6124 ( 10780 PWs) bands (ev): -12.5459 -12.5459 -12.5453 -12.5453 -10.1707 -10.1707 -10.1705 -10.1705 -9.5558 -9.5558 -9.5550 -9.5550 -1.7812 -1.7812 -1.5968 -1.5968 -0.6159 -0.6159 -0.0307 -0.0307 0.4744 0.4744 0.8823 0.8823 1.8933 1.8933 1.9505 1.9505 3.4523 3.4523 3.4573 3.4573 4.7143 4.7143 4.7759 4.7759 5.2233 5.2233 5.2276 5.2276 5.4079 5.4079 5.4217 5.4217 5.8875 5.8875 5.8986 5.8986 11.6923 11.6923 11.7103 11.7103 13.0088 13.0088 13.0369 13.0369 13.7800 13.7810 k = 0.5000 0.0000 0.6124 ( 10780 PWs) bands (ev): -12.5459 -12.5459 -12.5453 -12.5453 -10.1707 -10.1707 -10.1705 -10.1705 -9.5558 -9.5558 -9.5550 -9.5550 -1.7812 -1.7812 -1.5968 -1.5968 -0.6159 -0.6159 -0.0307 -0.0307 0.4744 0.4744 0.8823 0.8823 1.8933 1.8933 1.9505 1.9505 3.4523 3.4523 3.4573 3.4573 4.7143 4.7143 4.7759 4.7759 5.2233 5.2233 5.2276 5.2276 5.4079 5.4079 5.4217 5.4217 5.8875 5.8875 5.8986 5.8986 11.6923 11.6923 11.7103 11.7103 13.0088 13.0088 13.0369 13.0369 13.7804 13.7854 k = 0.5000 0.0103 0.5978 ( 10792 PWs) bands (ev): -12.5575 -12.5575 -12.5337 -12.5337 -10.1864 -10.1864 -10.1546 -10.1546 -9.5562 -9.5562 -9.5546 -9.5546 -1.7820 -1.7820 -1.5956 -1.5956 -0.6169 -0.6169 -0.0297 -0.0297 0.4738 0.4738 0.8818 0.8818 1.8763 1.8763 1.9677 1.9677 3.4489 3.4489 3.4603 3.4603 4.7061 4.7061 4.7840 4.7840 5.2152 5.2152 5.2357 5.2357 5.4067 5.4067 5.4234 5.4234 5.8643 5.8643 5.9228 5.9228 11.6798 11.6798 11.7262 11.7262 12.9783 12.9783 13.0660 13.0660 13.7268 13.7268 k = 0.5000 0.0206 0.5832 ( 10798 PWs) bands (ev): -12.5694 -12.5694 -12.5219 -12.5219 -10.2019 -10.2019 -10.1384 -10.1384 -9.5569 -9.5569 -9.5539 -9.5539 -1.7844 -1.7844 -1.5923 -1.5923 -0.6202 -0.6202 -0.0268 -0.0268 0.4719 0.4719 0.8804 0.8804 1.8453 1.8453 1.9990 1.9990 3.4436 3.4436 3.4645 3.4645 4.6882 4.6882 4.8017 4.8017 5.2055 5.2055 5.2451 5.2451 5.4048 5.4048 5.4271 5.4271 5.8376 5.8376 5.9526 5.9526 11.6646 11.6646 11.7517 11.7517 12.9366 12.9366 13.1031 13.1031 13.6721 13.6721 k = 0.5000 0.0309 0.5686 ( 10808 PWs) bands (ev): -12.5813 -12.5813 -12.5103 -12.5103 -10.2171 -10.2171 -10.1220 -10.1220 -9.5575 -9.5575 -9.5532 -9.5532 -1.7882 -1.7882 -1.5868 -1.5868 -0.6255 -0.6255 -0.0221 -0.0221 0.4687 0.4687 0.8780 0.8780 1.8119 1.8119 2.0330 2.0330 3.4379 3.4379 3.4682 3.4682 4.6674 4.6674 4.8223 4.8223 5.1963 5.1963 5.2535 5.2535 5.4039 5.4039 5.4310 5.4310 5.8125 5.8125 5.9831 5.9831 11.6525 11.6525 11.7806 11.7806 12.8943 12.8943 13.1365 13.1365 13.6236 13.6236 k = 0.5000 0.0412 0.5541 ( 10816 PWs) bands (ev): -12.5931 -12.5931 -12.4987 -12.4987 -10.2319 -10.2319 -10.1055 -10.1055 -9.5581 -9.5581 -9.5525 -9.5525 -1.7932 -1.7932 -1.5796 -1.5796 -0.6327 -0.6327 -0.0157 -0.0157 0.4643 0.4643 0.8748 0.8748 1.7780 1.7780 2.0678 2.0678 3.4318 3.4318 3.4714 3.4714 4.6457 4.6457 4.8436 4.8436 5.1877 5.1877 5.2603 5.2603 5.4055 5.4055 5.4342 5.4342 5.7894 5.7894 6.0139 6.0139 11.6440 11.6440 11.8125 11.8125 12.8524 12.8524 13.1633 13.1633 13.5838 13.5838 k = 0.5000 0.0515 0.5395 ( 10816 PWs) bands (ev): -12.6048 -12.6048 -12.4874 -12.4874 -10.2464 -10.2464 -10.0890 -10.0890 -9.5587 -9.5587 -9.5518 -9.5518 -1.7992 -1.7992 -1.5708 -1.5708 -0.6416 -0.6416 -0.0078 -0.0078 0.4588 0.4588 0.8708 0.8708 1.7441 1.7441 2.1029 2.1029 3.4256 3.4256 3.4737 3.4737 4.6242 4.6242 4.8648 4.8648 5.1797 5.1797 5.2648 5.2648 5.4100 5.4100 5.4362 5.4362 5.7686 5.7686 6.0450 6.0450 11.6393 11.6393 11.8467 11.8467 12.8117 12.8117 13.1804 13.1804 13.5554 13.5554 k = 0.5000 0.0619 0.5249 ( 10810 PWs) bands (ev): -12.6163 -12.6163 -12.4764 -12.4764 -10.2603 -10.2603 -10.0724 -10.0724 -9.5592 -9.5592 -9.5512 -9.5512 -1.8060 -1.8060 -1.5607 -1.5607 -0.6520 -0.6520 0.0012 0.0012 0.4521 0.4521 0.8661 0.8661 1.7105 1.7105 2.1381 2.1381 3.4191 3.4191 3.4751 3.4751 4.6033 4.6033 4.8856 4.8856 5.1725 5.1725 5.2668 5.2668 5.4174 5.4174 5.4370 5.4370 5.7507 5.7507 6.0760 6.0760 11.6381 11.6381 11.8830 11.8830 12.7726 12.7726 13.1858 13.1858 13.5404 13.5404 k = 0.5000 0.0722 0.5103 ( 10822 PWs) bands (ev): -12.6276 -12.6276 -12.4655 -12.4655 -10.2739 -10.2739 -10.0560 -10.0560 -9.5596 -9.5596 -9.5507 -9.5507 -1.8132 -1.8132 -1.5494 -1.5494 -0.6637 -0.6637 0.0112 0.0112 0.4446 0.4446 0.8608 0.8608 1.6774 1.6774 2.1732 2.1732 3.4124 3.4124 3.4754 3.4754 4.5832 4.5832 4.9057 4.9057 5.1660 5.1660 5.2665 5.2665 5.4248 5.4248 5.4388 5.4388 5.7358 5.7358 6.1070 6.1070 11.6405 11.6405 11.9210 11.9210 12.7354 12.7354 13.1793 13.1793 13.5353 13.5355 k = 0.5000 0.0825 0.4957 ( 10816 PWs) bands (ev): -12.6387 -12.6387 -12.4550 -12.4550 -10.2869 -10.2869 -10.0396 -10.0396 -9.5600 -9.5600 -9.5502 -9.5502 -1.8208 -1.8208 -1.5373 -1.5373 -0.6764 -0.6764 0.0219 0.0219 0.4361 0.4361 0.8551 0.8551 1.6449 1.6449 2.2081 2.2081 3.4055 3.4055 3.4745 3.4745 4.5643 4.5643 4.9250 4.9250 5.1602 5.1602 5.2644 5.2644 5.4245 5.4245 5.4488 5.4488 5.7241 5.7241 6.1377 6.1377 11.6461 11.6461 11.9604 11.9604 12.7005 12.7005 13.1638 13.1638 13.5050 13.5050 k = 0.5000 0.0928 0.4811 ( 10822 PWs) bands (ev): -12.6495 -12.6495 -12.4449 -12.4449 -10.2994 -10.2994 -10.0234 -10.0234 -9.5603 -9.5603 -9.5499 -9.5499 -1.8287 -1.8287 -1.5244 -1.5244 -0.6900 -0.6900 0.0330 0.0330 0.4268 0.4268 0.8490 0.8490 1.6131 1.6131 2.2429 2.2429 3.3983 3.3983 3.4723 3.4723 4.5466 4.5466 4.9434 4.9434 5.1551 5.1551 5.2609 5.2609 5.4184 5.4184 5.4646 5.4646 5.7156 5.7156 6.1681 6.1681 11.6545 11.6545 12.0009 12.0009 12.6685 12.6685 13.1433 13.1433 13.4603 13.4603 k = 0.5000 0.1031 0.4666 ( 10830 PWs) bands (ev): -12.6600 -12.6600 -12.4351 -12.4351 -10.3114 -10.3114 -10.0074 -10.0074 -9.5605 -9.5605 -9.5496 -9.5496 -1.8367 -1.8367 -1.5108 -1.5108 -0.7042 -0.7042 0.0445 0.0445 0.4169 0.4169 0.8427 0.8427 1.5822 1.5822 2.2774 2.2774 3.3908 3.3908 3.4687 3.4687 4.5303 4.5303 4.9609 4.9609 5.1506 5.1506 5.2565 5.2565 5.4093 5.4093 5.4827 5.4827 5.7100 5.7100 6.1980 6.1980 11.6654 11.6654 12.0422 12.0422 12.6397 12.6397 13.1211 13.1211 13.4163 13.4163 k = 0.5000 0.1134 0.4520 ( 10824 PWs) bands (ev): -12.6701 -12.6701 -12.4256 -12.4256 -10.3228 -10.3228 -9.9917 -9.9917 -9.5606 -9.5606 -9.5495 -9.5495 -1.8447 -1.8447 -1.4967 -1.4967 -0.7189 -0.7189 0.0560 0.0560 0.4064 0.4064 0.8364 0.8364 1.5521 1.5521 2.3116 2.3116 3.3830 3.3830 3.4637 3.4637 4.5156 4.5156 4.9773 4.9773 5.1468 5.1468 5.2516 5.2516 5.3983 5.3983 5.5023 5.5023 5.7070 5.7070 6.2274 6.2274 11.6781 11.6781 12.0840 12.0840 12.6145 12.6145 13.0995 13.0995 13.3739 13.3739 k = 0.5000 0.1237 0.4374 ( 10818 PWs) bands (ev): -12.6799 -12.6799 -12.4166 -12.4166 -10.3337 -10.3337 -9.9763 -9.9763 -9.5607 -9.5607 -9.5495 -9.5495 -1.8527 -1.8527 -1.4823 -1.4823 -0.7339 -0.7339 0.0674 0.0674 0.3955 0.3955 0.8301 0.8301 1.5231 1.5231 2.3455 2.3455 3.3750 3.3750 3.4571 3.4571 4.5026 4.5026 4.9927 4.9927 5.1436 5.1436 5.2464 5.2464 5.3859 5.3859 5.5226 5.5226 5.7060 5.7060 6.2561 6.2561 11.6921 11.6921 12.1261 12.1261 12.5936 12.5936 13.0798 13.0798 13.3333 13.3333 k = 0.5000 0.1340 0.4228 ( 10814 PWs) bands (ev): -12.6892 -12.6892 -12.4081 -12.4081 -10.3439 -10.3439 -9.9614 -9.9614 -9.5607 -9.5607 -9.5496 -9.5496 -1.8606 -1.8606 -1.4675 -1.4675 -0.7491 -0.7491 0.0786 0.0786 0.3842 0.3842 0.8240 0.8240 1.4953 1.4953 2.3790 2.3790 3.3667 3.3667 3.4490 3.4490 4.4912 4.4912 5.0069 5.0069 5.1410 5.1410 5.2410 5.2410 5.3727 5.3727 5.5433 5.5433 5.7066 5.7066 6.2841 6.2841 11.7066 11.7066 12.1684 12.1684 12.5772 12.5772 13.0631 13.0631 13.2946 13.2946 k = 0.5000 0.1443 0.4082 ( 10800 PWs) bands (ev): -12.6981 -12.6981 -12.4000 -12.4000 -10.3536 -10.3536 -9.9469 -9.9469 -9.5607 -9.5607 -9.5498 -9.5498 -1.8683 -1.8683 -1.4526 -1.4526 -0.7644 -0.7644 0.0895 0.0895 0.3726 0.3726 0.8182 0.8182 1.4686 1.4686 2.4120 2.4120 3.3582 3.3582 3.4395 3.4395 4.4815 4.4815 5.0200 5.0200 5.1389 5.1389 5.2356 5.2356 5.3591 5.3591 5.5640 5.5640 5.7083 5.7083 6.3113 6.3113 11.7210 11.7210 12.2106 12.2106 12.5658 12.5658 13.0496 13.0496 13.2580 13.2580 k = 0.5000 0.1546 0.3937 ( 10810 PWs) bands (ev): -12.7066 -12.7066 -12.3924 -12.3924 -10.3626 -10.3626 -9.9330 -9.9330 -9.5606 -9.5606 -9.5502 -9.5502 -1.8758 -1.8758 -1.4376 -1.4376 -0.7796 -0.7796 0.1000 0.1000 0.3609 0.3609 0.8127 0.8127 1.4433 1.4433 2.4444 2.4444 3.3495 3.3495 3.4285 3.4285 4.4734 4.4734 5.0320 5.0320 5.1373 5.1373 5.2301 5.2301 5.3457 5.3457 5.5845 5.5845 5.7107 5.7107 6.3376 6.3376 11.7346 11.7346 12.2528 12.2528 12.5599 12.5599 13.0394 13.0394 13.2234 13.2234 k = 0.5000 0.1650 0.3791 ( 10816 PWs) bands (ev): -12.7145 -12.7145 -12.3853 -12.3853 -10.3710 -10.3710 -9.9197 -9.9197 -9.5604 -9.5604 -9.5507 -9.5507 -1.8830 -1.8830 -1.4226 -1.4226 -0.7946 -0.7946 0.1101 0.1101 0.3492 0.3492 0.8078 0.8078 1.4193 1.4193 2.4762 2.4762 3.3408 3.3408 3.4163 3.4163 4.4669 4.4669 5.0427 5.0427 5.1363 5.1363 5.2246 5.2246 5.3329 5.3329 5.6044 5.6044 5.7136 5.7136 6.3627 6.3627 11.7466 11.7466 12.2950 12.2950 12.5594 12.5594 13.0325 13.0325 13.1910 13.1910 k = 0.5000 0.1753 0.3645 ( 10818 PWs) bands (ev): -12.7218 -12.7218 -12.3787 -12.3787 -10.3787 -10.3787 -9.9070 -9.9070 -9.5602 -9.5602 -9.5512 -9.5512 -1.8898 -1.8898 -1.4077 -1.4077 -0.8093 -0.8093 0.1197 0.1197 0.3374 0.3374 0.8034 0.8034 1.3969 1.3969 2.5072 2.5072 3.3322 3.3322 3.4030 3.4030 4.4619 4.4619 5.0522 5.0522 5.1358 5.1358 5.2190 5.2190 5.3208 5.3208 5.6235 5.6235 5.7167 5.7167 6.3867 6.3867 11.7568 11.7568 12.3372 12.3372 12.5644 12.5644 13.0284 13.0284 13.1609 13.1609 k = 0.5000 0.1856 0.3499 ( 10830 PWs) bands (ev): -12.7286 -12.7286 -12.3726 -12.3726 -10.3858 -10.3858 -9.8952 -9.8952 -9.5600 -9.5600 -9.5519 -9.5519 -1.8963 -1.8963 -1.3932 -1.3932 -0.8237 -0.8237 0.1289 0.1289 0.3258 0.3258 0.7995 0.7995 1.3760 1.3760 2.5372 2.5372 3.3237 3.3237 3.3888 3.3888 4.4582 4.4582 5.0605 5.0605 5.1359 5.1359 5.2133 5.2133 5.3098 5.3098 5.6416 5.6416 5.7199 5.7199 6.4094 6.4094 11.7648 11.7648 12.3794 12.3794 12.5744 12.5744 13.0268 13.0268 13.1333 13.1333 k = 0.5000 0.1959 0.3353 ( 10824 PWs) bands (ev): -12.7349 -12.7349 -12.3671 -12.3671 -10.3922 -10.3922 -9.8841 -9.8841 -9.5598 -9.5598 -9.5527 -9.5527 -1.9023 -1.9023 -1.3790 -1.3790 -0.8375 -0.8375 0.1376 0.1376 0.3143 0.3143 0.7962 0.7962 1.3567 1.3567 2.5661 2.5661 3.3154 3.3154 3.3739 3.3739 4.4556 4.4556 5.0675 5.0675 5.1365 5.1365 5.2074 5.2074 5.3001 5.3001 5.6585 5.6585 5.7229 5.7229 6.4305 6.4305 11.7705 11.7705 12.4218 12.4218 12.5890 12.5890 13.0270 13.0270 13.1081 13.1081 k = 0.5000 0.2062 0.3208 ( 10820 PWs) bands (ev): -12.7405 -12.7405 -12.3622 -12.3622 -10.3980 -10.3980 -9.8739 -9.8739 -9.5596 -9.5596 -9.5535 -9.5535 -1.9079 -1.9079 -1.3655 -1.3655 -0.8506 -0.8506 0.1460 0.1460 0.3031 0.3031 0.7934 0.7934 1.3393 1.3393 2.5936 2.5936 3.3075 3.3075 3.3588 3.3588 4.4541 4.4541 5.0733 5.0733 5.1375 5.1375 5.2014 5.2014 5.2917 5.2917 5.6740 5.6740 5.7258 5.7258 6.4500 6.4500 11.7742 11.7742 12.4643 12.4643 12.6071 12.6071 13.0282 13.0282 13.0857 13.0857 k = 0.5000 0.2165 0.3062 ( 10814 PWs) bands (ev): -12.7455 -12.7455 -12.3578 -12.3578 -10.4030 -10.4030 -9.8647 -9.8647 -9.5594 -9.5594 -9.5543 -9.5543 -1.9129 -1.9129 -1.3528 -1.3528 -0.8629 -0.8629 0.1541 0.1541 0.2922 0.2922 0.7912 0.7912 1.3236 1.3236 2.6195 2.6195 3.3001 3.3001 3.3438 3.3438 4.4533 4.4533 5.0780 5.0780 5.1391 5.1391 5.1954 5.1954 5.2846 5.2846 5.6880 5.6880 5.7285 5.7285 6.4677 6.4677 11.7762 11.7762 12.5069 12.5069 12.6276 12.6276 13.0293 13.0293 13.0664 13.0664 k = 0.5000 0.2268 0.2916 ( 10822 PWs) bands (ev): -12.7499 -12.7499 -12.3539 -12.3539 -10.4075 -10.4075 -9.8565 -9.8565 -9.5593 -9.5593 -9.5550 -9.5550 -1.9173 -1.9173 -1.3410 -1.3410 -0.8742 -0.8742 0.1618 0.1618 0.2817 0.2817 0.7894 0.7894 1.3098 1.3098 2.6433 2.6433 3.2931 3.2931 3.3294 3.3294 4.4531 4.4531 5.0817 5.0817 5.1409 5.1409 5.1895 5.1895 5.2789 5.2789 5.7002 5.7002 5.7309 5.7309 6.4835 6.4835 11.7768 11.7768 12.5493 12.5493 12.6491 12.6491 13.0288 13.0288 13.0509 13.0509 k = 0.5000 0.2371 0.2770 ( 10824 PWs) bands (ev): -12.7536 -12.7536 -12.3507 -12.3507 -10.4112 -10.4112 -9.8495 -9.8495 -9.5592 -9.5592 -9.5557 -9.5557 -1.9212 -1.9212 -1.3305 -1.3305 -0.8843 -0.8843 0.1692 0.1692 0.2717 0.2717 0.7881 0.7881 1.2980 1.2980 2.6647 2.6647 3.2866 3.2866 3.3162 3.3162 4.4533 4.4533 5.0845 5.0845 5.1430 5.1430 5.1838 5.1838 5.2743 5.2743 5.7106 5.7106 5.7331 5.7331 6.4971 6.4971 11.7764 11.7764 12.5909 12.5909 12.6704 12.6704 13.0240 13.0240 13.0409 13.0409 k = 0.5000 0.2474 0.2624 ( 10834 PWs) bands (ev): -12.7567 -12.7567 -12.3480 -12.3480 -10.4143 -10.4143 -9.8436 -9.8436 -9.5591 -9.5591 -9.5563 -9.5563 -1.9244 -1.9244 -1.3214 -1.3214 -0.8929 -0.8929 0.1763 0.1763 0.2623 0.2623 0.7871 0.7871 1.2883 1.2883 2.6832 2.6832 3.2806 3.2806 3.3048 3.3048 4.4538 4.4538 5.0866 5.0866 5.1452 5.1452 5.1786 5.1786 5.2708 5.2708 5.7189 5.7189 5.7352 5.7352 6.5085 6.5085 11.7755 11.7755 12.6309 12.6309 12.6900 12.6900 13.0153 13.0153 13.0352 13.0352 k = 0.5000 0.2577 0.2479 ( 10828 PWs) bands (ev): -12.7591 -12.7591 -12.3460 -12.3460 -10.4166 -10.4166 -9.8390 -9.8390 -9.5592 -9.5592 -9.5567 -9.5567 -1.9269 -1.9269 -1.3140 -1.3140 -0.9000 -0.9000 0.1829 0.1829 0.2539 0.2539 0.7863 0.7863 1.2806 1.2806 2.6984 2.6984 3.2751 3.2751 3.2959 3.2959 4.4543 4.4543 5.0881 5.0881 5.1474 5.1474 5.1740 5.1740 5.2682 5.2682 5.7250 5.7250 5.7373 5.7373 6.5175 6.5175 11.7744 11.7744 12.6674 12.6674 12.7068 12.7068 13.0064 13.0064 13.0296 13.0296 k = 0.5000 0.2681 0.2333 ( 10826 PWs) bands (ev): -12.7608 -12.7608 -12.3445 -12.3445 -10.4183 -10.4183 -9.8356 -9.8356 -9.5593 -9.5593 -9.5569 -9.5569 -1.9287 -1.9287 -1.3085 -1.3085 -0.9052 -0.9052 0.1886 0.1886 0.2467 0.2467 0.7859 0.7859 1.2751 1.2751 2.7096 2.7096 3.2703 3.2703 3.2899 3.2899 4.4548 4.4548 5.0891 5.0891 5.1495 5.1495 5.1702 5.1702 5.2664 5.2664 5.7289 5.7289 5.7393 5.7393 6.5239 6.5239 11.7734 11.7734 12.6977 12.6977 12.7201 12.7201 12.9988 12.9988 13.0235 13.0235 k = 0.5000 0.2784 0.2187 ( 10830 PWs) bands (ev): -12.7619 -12.7619 -12.3436 -12.3436 -10.4194 -10.4194 -9.8336 -9.8336 -9.5594 -9.5594 -9.5570 -9.5570 -1.9298 -1.9298 -1.3052 -1.3052 -0.9084 -0.9084 0.1928 0.1928 0.2417 0.2417 0.7856 0.7856 1.2718 1.2718 2.7166 2.7166 3.2670 3.2670 3.2865 3.2865 4.4551 4.4551 5.0896 5.0896 5.1510 5.1510 5.1676 5.1676 5.2653 5.2653 5.7309 5.7309 5.7408 5.7408 6.5279 6.5279 11.7727 11.7727 12.7172 12.7172 12.7299 12.7299 12.9929 12.9929 13.0186 13.0186 k = 0.5000 0.2887 0.2041 ( 10790 PWs) bands (ev): -12.7622 -12.7622 -12.3433 -12.3433 -10.4197 -10.4197 -9.8329 -9.8329 -9.5594 -9.5594 -9.5570 -9.5570 -1.9301 -1.9301 -1.3040 -1.3040 -0.9094 -0.9094 0.1944 0.1944 0.2398 0.2398 0.7855 0.7855 1.2707 1.2707 2.7189 2.7189 3.2658 3.2658 3.2854 3.2854 4.4553 4.4553 5.0898 5.0898 5.1516 5.1516 5.1666 5.1666 5.2650 5.2650 5.7315 5.7315 5.7414 5.7414 6.5292 6.5292 11.7725 11.7725 12.7230 12.7230 12.7345 12.7345 12.9906 12.9906 13.0167 13.0167 k = 0.5000 0.2887 0.2041 ( 10790 PWs) bands (ev): -12.7622 -12.7622 -12.3433 -12.3433 -10.4197 -10.4197 -9.8329 -9.8329 -9.5594 -9.5594 -9.5570 -9.5570 -1.9301 -1.9301 -1.3040 -1.3040 -0.9094 -0.9094 0.1944 0.1944 0.2398 0.2398 0.7855 0.7855 1.2707 1.2707 2.7189 2.7189 3.2658 3.2658 3.2854 3.2854 4.4553 4.4553 5.0898 5.0898 5.1516 5.1516 5.1666 5.1666 5.2650 5.2650 5.7315 5.7315 5.7414 5.7414 6.5292 6.5292 11.7725 11.7725 12.7230 12.7230 12.7345 12.7345 12.9906 12.9906 13.0167 13.0167 k = 0.4948 0.2857 0.2211 ( 10825 PWs) bands (ev): -12.7619 -12.7619 -12.3436 -12.3436 -10.4194 -10.4194 -9.8336 -9.8336 -9.5594 -9.5594 -9.5570 -9.5570 -1.9298 -1.9298 -1.3052 -1.3052 -0.9083 -0.9083 0.1928 0.1928 0.2417 0.2417 0.7856 0.7856 1.2718 1.2718 2.7165 2.7165 3.2670 3.2670 3.2865 3.2865 4.4551 4.4551 5.0896 5.0896 5.1510 5.1510 5.1676 5.1676 5.2654 5.2654 5.7309 5.7309 5.7408 5.7408 6.5278 6.5278 11.7727 11.7727 12.7170 12.7170 12.7298 12.7298 12.9930 12.9930 13.0186 13.0186 k = 0.4896 0.2827 0.2381 ( 10823 PWs) bands (ev): -12.7608 -12.7608 -12.3445 -12.3445 -10.4183 -10.4183 -9.8357 -9.8357 -9.5593 -9.5593 -9.5569 -9.5569 -1.9286 -1.9286 -1.3086 -1.3086 -0.9051 -0.9051 0.1885 0.1885 0.2469 0.2469 0.7859 0.7859 1.2752 1.2752 2.7094 2.7094 3.2704 3.2704 3.2900 3.2900 4.4548 4.4548 5.0890 5.0890 5.1494 5.1494 5.1703 5.1703 5.2664 5.2664 5.7289 5.7289 5.7392 5.7392 6.5238 6.5238 11.7734 11.7734 12.6970 12.6970 12.7201 12.7201 12.9982 12.9982 13.0243 13.0243 k = 0.4844 0.2797 0.2552 ( 10836 PWs) bands (ev): -12.7590 -12.7590 -12.3460 -12.3460 -10.4166 -10.4166 -9.8391 -9.8391 -9.5592 -9.5592 -9.5566 -9.5566 -1.9268 -1.9268 -1.3142 -1.3142 -0.8998 -0.8998 0.1827 0.1827 0.2541 0.2541 0.7864 0.7864 1.2808 1.2808 2.6979 2.6979 3.2752 3.2752 3.2962 3.2962 4.4543 4.4543 5.0880 5.0880 5.1474 5.1474 5.1742 5.1742 5.2682 5.2682 5.7249 5.7249 5.7372 5.7372 6.5172 6.5172 11.7744 11.7744 12.6656 12.6656 12.7076 12.7076 13.0011 13.0011 13.0352 13.0352 k = 0.4792 0.2766 0.2722 ( 10830 PWs) bands (ev): -12.7566 -12.7566 -12.3481 -12.3481 -10.4141 -10.4141 -9.8438 -9.8438 -9.5591 -9.5591 -9.5562 -9.5562 -1.9242 -1.9242 -1.3217 -1.3217 -0.8926 -0.8926 0.1760 0.1760 0.2627 0.2627 0.7871 0.7871 1.2886 1.2886 2.6825 2.6825 3.2809 3.2809 3.3052 3.3052 4.4538 4.4538 5.0865 5.0865 5.1451 5.1451 5.1789 5.1789 5.2709 5.2709 5.7187 5.7187 5.7350 5.7350 6.5081 6.5081 11.7755 11.7755 12.6275 12.6275 12.6925 12.6925 12.9984 12.9984 13.0523 13.0523 k = 0.4740 0.2736 0.2892 ( 10824 PWs) bands (ev): -12.7535 -12.7535 -12.3508 -12.3508 -10.4110 -10.4110 -9.8498 -9.8498 -9.5592 -9.5592 -9.5556 -9.5556 -1.9210 -1.9210 -1.3310 -1.3310 -0.8838 -0.8838 0.1688 0.1688 0.2722 0.2722 0.7881 0.7881 1.2986 1.2986 2.6636 2.6636 3.2871 3.2871 3.3166 3.3166 4.4533 4.4533 5.0844 5.0844 5.1428 5.1428 5.1842 5.1842 5.2745 5.2745 5.7104 5.7104 5.7327 5.7327 6.4965 6.4965 11.7764 11.7764 12.5862 12.5862 12.6755 12.6755 12.9909 12.9909 13.0739 13.0739 k = 0.4688 0.2706 0.3062 ( 10827 PWs) bands (ev): -12.7497 -12.7497 -12.3542 -12.3542 -10.4072 -10.4072 -9.8570 -9.8570 -9.5593 -9.5593 -9.5549 -9.5549 -1.9171 -1.9171 -1.3417 -1.3417 -0.8735 -0.8735 0.1613 0.1613 0.2823 0.2823 0.7895 0.7895 1.3106 1.3106 2.6418 2.6418 3.2939 3.2939 3.3299 3.3299 4.4531 4.4531 5.0816 5.0816 5.1404 5.1404 5.1901 5.1901 5.2791 5.2791 5.7001 5.7001 5.7301 5.7301 6.4827 6.4827 11.7765 11.7765 12.5439 12.5439 12.6572 12.6572 12.9806 12.9806 13.0987 13.0987 k = 0.4635 0.2676 0.3232 ( 10817 PWs) bands (ev): -12.7452 -12.7452 -12.3581 -12.3581 -10.4027 -10.4027 -9.8653 -9.8653 -9.5596 -9.5596 -9.5541 -9.5541 -1.9126 -1.9126 -1.3537 -1.3537 -0.8620 -0.8620 0.1534 0.1534 0.2930 0.2930 0.7914 0.7914 1.3247 1.3247 2.6175 2.6175 3.3014 3.3014 3.3442 3.3442 4.4532 4.4532 5.0780 5.0780 5.1381 5.1381 5.1964 5.1964 5.2850 5.2850 5.6882 5.6882 5.7270 5.7270 6.4667 6.4667 11.7755 11.7755 12.5022 12.5022 12.6384 12.6384 12.9694 12.9694 13.1260 13.1260 k = 0.4583 0.2646 0.3402 ( 10825 PWs) bands (ev): -12.7401 -12.7401 -12.3625 -12.3625 -10.3975 -10.3975 -9.8747 -9.8747 -9.5598 -9.5598 -9.5533 -9.5533 -1.9075 -1.9075 -1.3666 -1.3666 -0.8495 -0.8495 0.1452 0.1452 0.3041 0.3041 0.7937 0.7937 1.3406 1.3406 2.5910 2.5910 3.3096 3.3096 3.3591 3.3591 4.4540 4.4540 5.0734 5.0734 5.1359 5.1359 5.2030 5.2030 5.2921 5.2921 5.6748 5.6748 5.7232 5.7232 6.4490 6.4490 11.7727 11.7727 12.4626 12.4626 12.6194 12.6194 12.9589 12.9589 13.1551 13.1551 k = 0.4531 0.2616 0.3572 ( 10822 PWs) bands (ev): -12.7343 -12.7343 -12.3676 -12.3676 -10.3917 -10.3917 -9.8850 -9.8850 -9.5601 -9.5601 -9.5524 -9.5524 -1.9019 -1.9019 -1.3804 -1.3804 -0.8361 -0.8361 0.1366 0.1366 0.3156 0.3156 0.7965 0.7965 1.3584 1.3584 2.5628 2.5628 3.3184 3.3184 3.3739 3.3739 4.4555 4.4555 5.0678 5.0678 5.1339 5.1339 5.2098 5.2098 5.3005 5.3005 5.6602 5.6602 5.7187 5.7187 6.4296 6.4296 11.7674 11.7674 12.4263 12.4263 12.6005 12.6005 12.9503 12.9503 13.1858 13.1858 k = 0.4479 0.2586 0.3742 ( 10830 PWs) bands (ev): -12.7280 -12.7280 -12.3732 -12.3732 -10.3851 -10.3851 -9.8961 -9.8961 -9.5605 -9.5605 -9.5515 -9.5515 -1.8958 -1.8958 -1.3947 -1.3947 -0.8219 -0.8219 0.1276 0.1276 0.3275 0.3275 0.8000 0.8000 1.3780 1.3780 2.5330 2.5330 3.3279 3.3279 3.3883 3.3883 4.4579 4.4579 5.0611 5.0611 5.1319 5.1319 5.2168 5.2168 5.3101 5.3101 5.6448 5.6448 5.7133 5.7133 6.4088 6.4088 11.7591 11.7591 12.3943 12.3943 12.5820 12.5820 12.9445 12.9445 13.2179 13.2179 k = 0.4427 0.2556 0.3912 ( 10830 PWs) bands (ev): -12.7211 -12.7211 -12.3794 -12.3794 -10.3780 -10.3780 -9.9081 -9.9081 -9.5609 -9.5609 -9.5508 -9.5508 -1.8894 -1.8894 -1.4095 -1.4095 -0.8072 -0.8072 0.1181 0.1181 0.3396 0.3396 0.8040 0.8040 1.3993 1.3993 2.5019 2.5019 3.3379 3.3379 3.4021 3.4021 4.4613 4.4613 5.0533 5.0533 5.1301 5.1301 5.2240 5.2240 5.3207 5.3207 5.6289 5.6289 5.7067 5.7067 6.3870 6.3870 11.7475 11.7475 12.3675 12.3675 12.5642 12.5642 12.9423 12.9423 13.2511 13.2511 k = 0.4375 0.2526 0.4082 ( 10822 PWs) bands (ev): -12.7136 -12.7136 -12.3861 -12.3861 -10.3702 -10.3702 -9.9207 -9.9207 -9.5613 -9.5613 -9.5501 -9.5501 -1.8826 -1.8826 -1.4246 -1.4246 -0.7920 -0.7920 0.1080 0.1080 0.3520 0.3520 0.8086 0.8086 1.4221 1.4221 2.4696 2.4696 3.3484 3.3484 3.4149 3.4149 4.4659 4.4659 5.0445 5.0445 5.1284 5.1284 5.2314 5.2314 5.3320 5.3320 5.6129 5.6129 5.6990 5.6990 6.3646 6.3646 11.7323 11.7323 12.3462 12.3462 12.5472 12.5472 12.9443 12.9443 13.2854 13.2854 k = 0.4323 0.2496 0.4253 ( 10820 PWs) bands (ev): -12.7056 -12.7056 -12.3933 -12.3933 -10.3617 -10.3617 -9.9339 -9.9339 -9.5618 -9.5618 -9.5495 -9.5495 -1.8756 -1.8756 -1.4398 -1.4398 -0.7765 -0.7765 0.0973 0.0973 0.3646 0.3646 0.8137 0.8137 1.4463 1.4463 2.4363 2.4363 3.3592 3.3592 3.4267 3.4267 4.4716 4.4716 5.0345 5.0345 5.1268 5.1268 5.2393 5.2393 5.3434 5.3434 5.5976 5.5976 5.6898 5.6898 6.3417 6.3417 11.7139 11.7139 12.3306 12.3306 12.5312 12.5312 12.9507 12.9507 13.3205 13.3205 k = 0.4271 0.2466 0.4423 ( 10824 PWs) bands (ev): -12.6971 -12.6971 -12.4009 -12.4009 -10.3527 -10.3527 -9.9475 -9.9475 -9.5622 -9.5622 -9.5490 -9.5490 -1.8684 -1.8684 -1.4550 -1.4550 -0.7606 -0.7606 0.0861 0.0861 0.3774 0.3774 0.8193 0.8193 1.4719 1.4719 2.4019 2.4019 3.3702 3.3702 3.4374 3.4374 4.4784 4.4784 5.0236 5.0236 5.1252 5.1252 5.2475 5.2475 5.3544 5.3544 5.5836 5.5836 5.6790 5.6790 6.3189 6.3189 11.6928 11.6928 12.3202 12.3202 12.5163 12.5163 12.9617 12.9617 13.3563 13.3563 k = 0.4219 0.2436 0.4593 ( 10821 PWs) bands (ev): -12.6882 -12.6882 -12.4091 -12.4091 -10.3432 -10.3432 -9.9616 -9.9616 -9.5627 -9.5627 -9.5486 -9.5486 -1.8611 -1.8611 -1.4702 -1.4702 -0.7445 -0.7445 0.0743 0.0743 0.3905 0.3905 0.8253 0.8253 1.4988 1.4988 2.3667 2.3667 3.3813 3.3813 3.4469 3.4469 4.4863 4.4863 5.0117 5.0117 5.1238 5.1238 5.2563 5.2563 5.3638 5.3638 5.5722 5.5722 5.6664 5.6664 6.2965 6.2965 11.6701 11.6701 12.3142 12.3142 12.5028 12.5028 12.9775 12.9775 13.3923 13.3923 k = 0.4167 0.2406 0.4763 ( 10819 PWs) bands (ev): -12.6790 -12.6790 -12.4176 -12.4176 -10.3332 -10.3332 -9.9758 -9.9758 -9.5632 -9.5632 -9.5484 -9.5484 -1.8538 -1.8538 -1.4851 -1.4851 -0.7283 -0.7283 0.0620 0.0620 0.4037 0.4037 0.8317 0.8317 1.5267 1.5267 2.3307 2.3307 3.3924 3.3924 3.4552 3.4552 4.4952 4.4952 4.9990 4.9990 5.1225 5.1225 5.2656 5.2656 5.3705 5.3705 5.5647 5.5647 5.6520 5.6520 6.2748 6.2748 11.6467 11.6467 12.3118 12.3118 12.4906 12.4906 12.9979 12.9979 13.4226 13.4230 k = 0.4115 0.2376 0.4933 ( 10821 PWs) bands (ev): -12.6694 -12.6694 -12.4265 -12.4265 -10.3228 -10.3228 -9.9902 -9.9902 -9.5636 -9.5636 -9.5483 -9.5483 -1.8466 -1.8466 -1.4998 -1.4998 -0.7121 -0.7121 0.0492 0.0492 0.4171 0.4171 0.8382 0.8382 1.5554 1.5554 2.2940 2.2940 3.4032 3.4032 3.4625 3.4625 4.5050 4.5050 4.9855 4.9855 5.1213 5.1213 5.2754 5.2754 5.3733 5.3733 5.5622 5.5622 5.6356 5.6356 6.2541 6.2541 11.6237 11.6237 12.3116 12.3116 12.4801 12.4801 13.0227 13.0227 13.3902 13.3902 k = 0.4062 0.2345 0.5103 ( 10815 PWs) bands (ev): -12.6596 -12.6596 -12.4356 -12.4356 -10.3120 -10.3120 -10.0045 -10.0045 -9.5641 -9.5641 -9.5484 -9.5484 -1.8397 -1.8397 -1.5140 -1.5140 -0.6960 -0.6960 0.0361 0.0361 0.4307 0.4307 0.8447 0.8447 1.5847 1.5847 2.2569 2.2569 3.4137 3.4137 3.4688 3.4688 4.5153 4.5153 4.9714 4.9714 5.1204 5.1204 5.2857 5.2857 5.3715 5.3715 5.5655 5.5655 5.6173 5.6173 6.2348 6.2348 11.6022 11.6022 12.3124 12.3124 12.4711 12.4711 13.0516 13.0516 13.3420 13.3420 k = 0.4010 0.2315 0.5273 ( 10819 PWs) bands (ev): -12.6497 -12.6497 -12.4449 -12.4449 -10.3011 -10.3011 -10.0185 -10.0185 -9.5646 -9.5646 -9.5486 -9.5486 -1.8330 -1.8330 -1.5277 -1.5277 -0.6801 -0.6801 0.0227 0.0227 0.4444 0.4444 0.8512 0.8512 1.6143 1.6143 2.2195 2.2195 3.4238 3.4238 3.4741 3.4741 4.5261 4.5261 4.9569 4.9569 5.1198 5.1198 5.2961 5.2961 5.3658 5.3658 5.5740 5.5740 5.5977 5.5977 6.2171 6.2171 11.5831 11.5831 12.3130 12.3130 12.4640 12.4640 13.0838 13.0838 13.2916 13.2916 k = 0.3958 0.2285 0.5443 ( 10816 PWs) bands (ev): -12.6399 -12.6399 -12.4542 -12.4542 -10.2901 -10.2901 -10.0321 -10.0321 -9.5650 -9.5650 -9.5489 -9.5489 -1.8267 -1.8267 -1.5408 -1.5408 -0.6645 -0.6645 0.0093 0.0093 0.4583 0.4583 0.8574 0.8574 1.6437 1.6437 2.1823 2.1823 3.4332 3.4332 3.4785 3.4785 4.5370 4.5370 4.9421 4.9421 5.1196 5.1196 5.3061 5.3061 5.3573 5.3573 5.5723 5.5723 5.5914 5.5914 6.2011 6.2011 11.5672 11.5672 12.3118 12.3118 12.4588 12.4588 13.1171 13.1172 13.2438 13.2438 k = 0.3906 0.2255 0.5613 ( 10811 PWs) bands (ev): -12.6304 -12.6304 -12.4633 -12.4633 -10.2794 -10.2794 -10.0449 -10.0449 -9.5654 -9.5654 -9.5493 -9.5493 -1.8210 -1.8210 -1.5531 -1.5531 -0.6495 -0.6495 -0.0041 -0.0041 0.4724 0.4724 0.8632 0.8632 1.6720 1.6720 2.1460 2.1460 3.4419 3.4419 3.4821 3.4821 4.5476 4.5476 4.9272 4.9272 5.1199 5.1199 5.3141 5.3141 5.3488 5.3488 5.5504 5.5504 5.6079 5.6079 6.1870 6.1870 11.5551 11.5551 12.3075 12.3075 12.4555 12.4555 13.1398 13.1398 13.2126 13.2126 k = 0.3854 0.2225 0.5784 ( 10812 PWs) bands (ev): -12.6214 -12.6214 -12.4719 -12.4719 -10.2692 -10.2692 -10.0566 -10.0566 -9.5658 -9.5658 -9.5499 -9.5499 -1.8159 -1.8159 -1.5644 -1.5644 -0.6353 -0.6353 -0.0172 -0.0172 0.4866 0.4866 0.8686 0.8686 1.6982 1.6982 2.1117 2.1117 3.4497 3.4497 3.4849 3.4849 4.5576 4.5576 4.9127 4.9127 5.1208 5.1208 5.3156 5.3156 5.3446 5.3446 5.5273 5.5273 5.6282 5.6282 6.1746 6.1746 11.5473 11.5473 12.2987 12.2987 12.4542 12.4542 13.1231 13.1231 13.2288 13.2288 k = 0.3802 0.2195 0.5954 ( 10822 PWs) bands (ev): -12.6136 -12.6136 -12.4795 -12.4795 -10.2601 -10.2601 -10.0667 -10.0667 -9.5662 -9.5662 -9.5505 -9.5505 -1.8116 -1.8116 -1.5747 -1.5747 -0.6219 -0.6219 -0.0299 -0.0299 0.5010 0.5010 0.8733 0.8733 1.7203 1.7203 2.0810 2.0810 3.4565 3.4565 3.4871 3.4871 4.5666 4.5666 4.8988 4.8988 5.1223 5.1223 5.3086 5.3086 5.3463 5.3463 5.5058 5.5058 5.6507 5.6507 6.1641 6.1641 11.5440 11.5440 12.2843 12.2843 12.4551 12.4551 13.0911 13.0911 13.2699 13.2699 k = 0.3750 0.2165 0.6124 ( 10828 PWs) bands (ev): -12.6075 -12.6075 -12.4854 -12.4854 -10.2526 -10.2526 -10.0745 -10.0745 -9.5665 -9.5665 -9.5513 -9.5513 -1.8083 -1.8083 -1.5838 -1.5838 -0.6097 -0.6097 -0.0421 -0.0421 0.5156 0.5156 0.8773 0.8773 1.7358 1.7358 2.0568 2.0568 3.4622 3.4622 3.4886 3.4886 4.5741 4.5741 4.8860 4.8860 5.1245 5.1245 5.2981 5.2981 5.3464 5.3464 5.4889 5.4889 5.6746 5.6746 6.1554 6.1554 11.5454 11.5454 12.2636 12.2636 12.4582 12.4582 13.0635 13.0635 13.3175 13.3175 k = 0.6250-0.0722 0.4082 ( 10828 PWs) bands (ev): -12.6075 -12.6075 -12.4854 -12.4854 -10.2526 -10.2526 -10.0745 -10.0745 -9.5665 -9.5665 -9.5513 -9.5513 -1.8083 -1.8083 -1.5838 -1.5838 -0.6097 -0.6097 -0.0421 -0.0421 0.5156 0.5156 0.8773 0.8773 1.7358 1.7358 2.0568 2.0568 3.4622 3.4622 3.4886 3.4886 4.5741 4.5741 4.8860 4.8860 5.1245 5.1245 5.2981 5.2981 5.3464 5.3464 5.4889 5.4889 5.6746 5.6746 6.1554 6.1554 11.5454 11.5454 12.2636 12.2636 12.4582 12.4582 13.0635 13.0635 13.3175 13.3175 k = 0.6161-0.0876 0.4082 ( 10800 PWs) bands (ev): -12.5992 -12.5992 -12.4936 -12.4936 -10.2416 -10.2416 -10.0852 -10.0852 -9.5671 -9.5671 -9.5527 -9.5527 -1.8035 -1.8035 -1.5981 -1.5981 -0.5895 -0.5895 -0.0624 -0.0624 0.5411 0.5411 0.8830 0.8830 1.7529 1.7529 2.0234 2.0234 3.4708 3.4708 3.4908 3.4908 4.5854 4.5854 4.8648 4.8648 5.1285 5.1285 5.2794 5.2794 5.3420 5.3420 5.4670 5.4670 5.7165 5.7165 6.1419 6.1419 11.5547 11.5547 12.2237 12.2237 12.4642 12.4642 13.0210 13.0210 13.4046 13.4046 k = 0.6071-0.1031 0.4082 ( 10804 PWs) bands (ev): -12.5916 -12.5916 -12.5012 -12.5012 -10.2309 -10.2309 -10.0952 -10.0952 -9.5676 -9.5676 -9.5544 -9.5544 -1.7988 -1.7988 -1.6124 -1.6124 -0.5689 -0.5689 -0.0827 -0.0827 0.5675 0.5675 0.8880 0.8880 1.7671 1.7671 1.9918 1.9918 3.4792 3.4792 3.4934 3.4934 4.5963 4.5963 4.8432 4.8432 5.1319 5.1319 5.2612 5.2612 5.3383 5.3383 5.4464 5.4464 5.7575 5.7575 6.1289 6.1289 11.5698 11.5698 12.1854 12.1854 12.4676 12.4676 12.9753 12.9753 13.4967 13.4967 k = 0.5982-0.1186 0.4082 ( 10792 PWs) bands (ev): -12.5845 -12.5845 -12.5083 -12.5083 -10.2204 -10.2204 -10.1045 -10.1045 -9.5681 -9.5681 -9.5561 -9.5561 -1.7943 -1.7943 -1.6265 -1.6265 -0.5480 -0.5480 -0.1029 -0.1029 0.5944 0.5944 0.8920 0.8920 1.7783 1.7783 1.9621 1.9621 3.4874 3.4874 3.4966 3.4966 4.6067 4.6067 4.8214 4.8214 5.1346 5.1346 5.2439 5.2439 5.3352 5.3352 5.4272 5.4272 5.7972 5.7972 6.1164 6.1164 11.5903 11.5903 12.1491 12.1491 12.4688 12.4688 12.9270 12.9270 13.5932 13.5932 k = 0.5893-0.1340 0.4082 ( 10786 PWs) bands (ev): -12.5780 -12.5780 -12.5148 -12.5148 -10.2104 -10.2104 -10.1131 -10.1131 -9.5686 -9.5686 -9.5579 -9.5579 -1.7898 -1.7898 -1.6402 -1.6402 -0.5269 -0.5269 -0.1230 -0.1230 0.6215 0.6215 0.8951 0.8951 1.7867 1.7867 1.9344 1.9344 3.4951 3.4951 3.5003 3.5003 4.6164 4.6164 4.7999 4.7999 5.1368 5.1368 5.2278 5.2278 5.3325 5.3325 5.4094 5.4094 5.8353 5.8353 6.1044 6.1044 11.6158 11.6158 12.1149 12.1149 12.4684 12.4684 12.8765 12.8765 13.6934 13.6934 k = 0.5804-0.1495 0.4082 ( 10788 PWs) bands (ev): -12.5721 -12.5721 -12.5208 -12.5208 -10.2009 -10.2009 -10.1210 -10.1210 -9.5690 -9.5690 -9.5598 -9.5598 -1.7854 -1.7854 -1.6535 -1.6535 -0.5056 -0.5056 -0.1429 -0.1429 0.6486 0.6486 0.8971 0.8971 1.7925 1.7925 1.9089 1.9089 3.5024 3.5024 3.5046 3.5046 4.6254 4.6254 4.7789 4.7789 5.1386 5.1386 5.2128 5.2128 5.3302 5.3302 5.3930 5.3930 5.8711 5.8711 6.0933 6.0933 11.6460 11.6460 12.0830 12.0830 12.4666 12.4666 12.8243 12.8243 13.7964 13.7964 k = 0.5714-0.1650 0.4082 ( 10782 PWs) bands (ev): -12.5668 -12.5668 -12.5262 -12.5262 -10.1920 -10.1920 -10.1280 -10.1280 -9.5694 -9.5694 -9.5617 -9.5617 -1.7810 -1.7810 -1.6663 -1.6663 -0.4843 -0.4843 -0.1626 -0.1626 0.6753 0.6753 0.8979 0.8979 1.7961 1.7961 1.8858 1.8858 3.5090 3.5090 3.5094 3.5094 4.6336 4.6336 4.7588 4.7588 5.1400 5.1400 5.1990 5.1990 5.3281 5.3281 5.3783 5.3783 5.9044 5.9044 6.0829 6.0829 11.6801 11.6801 12.0537 12.0537 12.4641 12.4641 12.7707 12.7707 13.9002 13.9002 k = 0.5625-0.1804 0.4082 ( 10800 PWs) bands (ev): -12.5622 -12.5622 -12.5310 -12.5310 -10.1839 -10.1839 -10.1343 -10.1343 -9.5698 -9.5698 -9.5636 -9.5636 -1.7767 -1.7767 -1.6783 -1.6783 -0.4630 -0.4630 -0.1821 -0.1821 0.7015 0.7015 0.8974 0.8974 1.7978 1.7978 1.8652 1.8652 3.5141 3.5141 3.5154 3.5154 4.6409 4.6409 4.7400 4.7400 5.1410 5.1410 5.1867 5.1867 5.3264 5.3264 5.3651 5.3651 5.9347 5.9347 6.0735 6.0735 11.7175 11.7175 12.0272 12.0272 12.4610 12.4610 12.7166 12.7166 13.9965 13.9965 k = 0.5536-0.1959 0.4082 ( 10794 PWs) bands (ev): -12.5581 -12.5581 -12.5352 -12.5352 -10.1766 -10.1766 -10.1397 -10.1397 -9.5701 -9.5701 -9.5653 -9.5653 -1.7723 -1.7723 -1.6897 -1.6897 -0.4418 -0.4418 -0.2016 -0.2016 0.7268 0.7268 0.8955 0.8955 1.7980 1.7980 1.8471 1.8471 3.5190 3.5190 3.5209 3.5209 4.6474 4.6474 4.7229 4.7229 5.1418 5.1418 5.1758 5.1758 5.3249 5.3249 5.3536 5.3536 5.9618 5.9618 6.0651 6.0651 11.7572 11.7572 12.0037 12.0037 12.4577 12.4577 12.6626 12.6626 14.0614 14.0614 k = 0.5446-0.2114 0.4082 ( 10816 PWs) bands (ev): -12.5547 -12.5547 -12.5387 -12.5387 -10.1702 -10.1702 -10.1444 -10.1444 -9.5704 -9.5704 -9.5669 -9.5669 -1.7678 -1.7678 -1.7002 -1.7002 -0.4208 -0.4208 -0.2210 -0.2210 0.7509 0.7509 0.8920 0.8920 1.7972 1.7972 1.8316 1.8316 3.5238 3.5238 3.5257 3.5257 4.6529 4.6529 4.7076 4.7076 5.1424 5.1424 5.1664 5.1664 5.3237 5.3237 5.3437 5.3437 5.9853 5.9853 6.0578 6.0578 11.7980 11.7980 11.9834 11.9834 12.4545 12.4545 12.6100 12.6100 14.1058 14.1058 k = 0.5357-0.2268 0.4082 ( 10812 PWs) bands (ev): -12.5519 -12.5519 -12.5417 -12.5417 -10.1648 -10.1648 -10.1482 -10.1482 -9.5706 -9.5706 -9.5683 -9.5683 -1.7631 -1.7631 -1.7100 -1.7100 -0.4000 -0.4000 -0.2404 -0.2404 0.7737 0.7737 0.8869 0.8869 1.7958 1.7958 1.8188 1.8188 3.5282 3.5282 3.5297 3.5297 4.6575 4.6575 4.6946 4.6946 5.1429 5.1429 5.1586 5.1586 5.3228 5.3228 5.3356 5.3356 6.0049 6.0049 6.0517 6.0517 11.8382 11.8382 11.9665 11.9665 12.4516 12.4516 12.5602 12.5602 14.1416 14.1416 k = 0.5268-0.2423 0.4082 ( 10816 PWs) bands (ev): -12.5497 -12.5497 -12.5439 -12.5439 -10.1606 -10.1606 -10.1512 -10.1512 -9.5708 -9.5708 -9.5694 -9.5694 -1.7582 -1.7582 -1.7189 -1.7189 -0.3793 -0.3793 -0.2598 -0.2598 0.7948 0.7948 0.8798 0.8798 1.7943 1.7943 1.8087 1.8087 3.5318 3.5318 3.5329 3.5329 4.6611 4.6611 4.6841 4.6841 5.1432 5.1432 5.1524 5.1524 5.3220 5.3220 5.3293 5.3293 6.0204 6.0204 6.0469 6.0469 11.8755 11.8755 11.9532 11.9532 12.4492 12.4492 12.5156 12.5156 14.1700 14.1701 k = 0.5179-0.2577 0.4082 ( 10812 PWs) bands (ev): -12.5481 -12.5481 -12.5456 -12.5456 -10.1575 -10.1575 -10.1533 -10.1533 -9.5709 -9.5709 -9.5703 -9.5703 -1.7530 -1.7530 -1.7271 -1.7271 -0.3589 -0.3589 -0.2793 -0.2793 0.8141 0.8141 0.8708 0.8708 1.7931 1.7931 1.8013 1.8013 3.5346 3.5346 3.5351 3.5351 4.6639 4.6639 4.6763 4.6763 5.1434 5.1434 5.1479 5.1479 5.3215 5.3215 5.3248 5.3248 6.0316 6.0316 6.0434 6.0434 11.9068 11.9068 11.9436 11.9436 12.4474 12.4474 12.4791 12.4791 14.1910 14.1922 k = 0.5089-0.2732 0.4082 ( 10830 PWs) bands (ev): -12.5472 -12.5472 -12.5466 -12.5466 -10.1556 -10.1556 -10.1546 -10.1546 -9.5710 -9.5710 -9.5708 -9.5708 -1.7474 -1.7474 -1.7345 -1.7345 -0.3387 -0.3387 -0.2989 -0.2989 0.8314 0.8314 0.8598 0.8598 1.7927 1.7927 1.7964 1.7964 3.5364 3.5364 3.5365 3.5365 4.6660 4.6660 4.6710 4.6710 5.1436 5.1436 5.1452 5.1452 5.3212 5.3212 5.3220 5.3220 6.0383 6.0383 6.0413 6.0413 11.9282 11.9282 11.9378 11.9378 12.4463 12.4463 12.4547 12.4547 14.2037 14.2058 k = 0.5000-0.2887 0.4082 ( 10846 PWs) bands (ev): -12.5469 -12.5469 -12.5469 -12.5469 -10.1550 -10.1550 -10.1550 -10.1550 -9.5710 -9.5710 -9.5710 -9.5710 -1.7412 -1.7412 -1.7412 -1.7412 -0.3187 -0.3187 -0.3187 -0.3187 0.8467 0.8467 0.8467 0.8467 1.7936 1.7936 1.7937 1.7937 3.5370 3.5370 3.5370 3.5370 4.6680 4.6680 4.6680 4.6680 5.1440 5.1440 5.1440 5.1440 5.3211 5.3211 5.3211 5.3211 6.0406 6.0406 6.0406 6.0406 11.9358 11.9358 11.9358 11.9358 12.4459 12.4459 12.4459 12.4459 14.2078 14.2078 Writing output data file CsAlO2.save init_run : 0.51s CPU 0.62s WALL ( 1 calls) electrons : 659.98s CPU 690.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 659.97s CPU 690.67s 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 0.01s WALL ( 1 calls) newd : 0.22s CPU 0.24s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.14s CPU 0.22s WALL ( 263 calls) cegterg : 477.06s CPU 480.90s WALL ( 796 calls) Called by sum_band: Called by *egterg: h_psi : 299.66s CPU 302.01s WALL ( 14825 calls) s_psi : 15.86s CPU 16.19s WALL ( 14825 calls) g_psi : 0.85s CPU 0.90s WALL ( 13766 calls) cdiaghg : 112.18s CPU 113.89s WALL ( 14029 calls) cegterg:over : 22.69s CPU 22.55s WALL ( 13766 calls) cegterg:upda : 26.22s CPU 26.05s WALL ( 13766 calls) cegterg:last : 10.14s CPU 10.16s WALL ( 1759 calls) cdiaghg:chol : 6.27s CPU 6.57s WALL ( 14029 calls) cdiaghg:inve : 4.36s CPU 4.46s WALL ( 14029 calls) cdiaghg:para : 7.06s CPU 6.98s WALL ( 28058 calls) Called by h_psi: h_psi:vloc : 246.77s CPU 248.97s WALL ( 14825 calls) h_psi:vnl : 51.93s CPU 52.04s WALL ( 14825 calls) add_vuspsi : 29.74s CPU 29.57s WALL ( 14825 calls) General routines calbec : 22.11s CPU 22.43s WALL ( 14825 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 234.17s CPU 236.15s WALL ( 1153556 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.28s CPU 10.62s WALL ( 526 calls) Parallel routines fft_scatter : 72.54s CPU 72.33s WALL ( 1153579 calls) PWSCF : 11m26.65s CPU 12m10.45s WALL This run was terminated on: 18:50:19 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=