Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:48: 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: ./SrxCdGex2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 189 47 13 6188 765 122 Max 190 48 14 6189 784 124 Sum 6809 1709 499 222781 27957 4423 bravais-lattice index = 14 lattice parameter (alat) = 12.5650 a.u. unit-cell volume = 815.9732 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.565047 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.764837 celldm(5)= -0.764837 celldm(6)= 0.529674 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.529674 0.848201 0.000000 ) a(3) = ( -0.764837 -0.424101 0.484936 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.624467 1.031064 ) b(2) = ( 0.000000 1.178965 1.031064 ) b(3) = ( 0.000000 0.000000 2.062127 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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 Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Cd 12.00 112.41100 Cd( 1.00) Sr 10.00 87.62000 Sr( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 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 C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 318 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 2) = ( 0.0000000 0.0000000 0.0210421), wk = 0.0031447 k( 3) = ( 0.0000000 0.0000000 0.0420842), wk = 0.0031447 k( 4) = ( 0.0000000 0.0000000 0.0631263), wk = 0.0031447 k( 5) = ( 0.0000000 0.0000000 0.0841685), wk = 0.0031447 k( 6) = ( 0.0000000 0.0000000 0.1052106), wk = 0.0031447 k( 7) = ( 0.0000000 0.0000000 0.1262527), wk = 0.0031447 k( 8) = ( 0.0000000 0.0000000 0.1472948), wk = 0.0031447 k( 9) = ( 0.0000000 0.0000000 0.1683369), wk = 0.0031447 k( 10) = ( 0.0000000 0.0000000 0.1893790), wk = 0.0031447 k( 11) = ( 0.0000000 0.0000000 0.2104211), wk = 0.0031447 k( 12) = ( 0.0000000 0.0000000 0.2314633), wk = 0.0031447 k( 13) = ( 0.0000000 0.0000000 0.2525054), wk = 0.0031447 k( 14) = ( 0.0000000 0.0000000 0.2735475), wk = 0.0031447 k( 15) = ( 0.0000000 0.0000000 0.2945896), wk = 0.0031447 k( 16) = ( 0.0000000 0.0000000 0.3156317), wk = 0.0031447 k( 17) = ( 0.0000000 0.0000000 0.3366738), wk = 0.0031447 k( 18) = ( 0.0000000 0.0000000 0.3577159), wk = 0.0031447 k( 19) = ( 0.0000000 0.0000000 0.3787581), wk = 0.0031447 k( 20) = ( 0.0000000 0.0000000 0.3998002), wk = 0.0031447 k( 21) = ( 0.0000000 0.0000000 0.4208423), wk = 0.0031447 k( 22) = ( 0.0000000 0.0000000 0.4418844), wk = 0.0031447 k( 23) = ( 0.0000000 0.0000000 0.4629265), wk = 0.0031447 k( 24) = ( 0.0000000 0.0000000 0.4839686), wk = 0.0031447 k( 25) = ( 0.0000000 0.0000000 0.5050107), wk = 0.0031447 k( 26) = ( 0.0000000 0.0000000 0.5260529), wk = 0.0031447 k( 27) = ( 0.0000000 0.0000000 0.5470950), wk = 0.0031447 k( 28) = ( 0.0000000 0.0000000 0.5681371), wk = 0.0031447 k( 29) = ( 0.0000000 0.0000000 0.5891792), wk = 0.0031447 k( 30) = ( 0.0000000 0.0000000 0.6102213), wk = 0.0031447 k( 31) = ( 0.0000000 0.0000000 0.6312634), wk = 0.0031447 k( 32) = ( 0.0000000 0.0000000 0.6523055), wk = 0.0031447 k( 33) = ( 0.0000000 0.0000000 0.6733476), wk = 0.0031447 k( 34) = ( 0.0000000 0.0000000 0.6943898), wk = 0.0031447 k( 35) = ( 0.0000000 0.0000000 0.7154319), wk = 0.0031447 k( 36) = ( 0.0000000 0.0000000 0.7364740), wk = 0.0031447 k( 37) = ( 0.0000000 0.0000000 0.7575161), wk = 0.0031447 k( 38) = ( 0.0000000 0.0000000 0.7785582), wk = 0.0031447 k( 39) = ( 0.0000000 0.0000000 0.7996003), wk = 0.0031447 k( 40) = ( 0.0000000 0.0000000 0.8206424), wk = 0.0031447 k( 41) = ( 0.0000000 0.0000000 0.8416846), wk = 0.0031447 k( 42) = ( 0.0000000 0.0000000 0.8627267), wk = 0.0031447 k( 43) = ( 0.0000000 0.0000000 0.8837688), wk = 0.0031447 k( 44) = ( 0.0000000 0.0000000 0.9048109), wk = 0.0031447 k( 45) = ( 0.0000000 0.0000000 0.9258530), wk = 0.0031447 k( 46) = ( 0.0000000 0.0000000 0.9468951), wk = 0.0031447 k( 47) = ( 0.0000000 0.0000000 0.9679373), wk = 0.0031447 k( 48) = ( 0.0000000 0.0000000 0.9889794), wk = 0.0031447 k( 49) = ( 0.0000000 0.0000000 1.0100215), wk = 0.0031447 k( 50) = ( 0.0000000 0.0000000 1.0310636), wk = 0.0031447 k( 51) = ( 0.0000000 0.0000000 1.0310636), wk = 0.0031447 k( 52) = ( -0.0096084 0.0173281 1.0310636), wk = 0.0031447 k( 53) = ( -0.0192168 0.0346561 1.0310636), wk = 0.0031447 k( 54) = ( -0.0288252 0.0519842 1.0310636), wk = 0.0031447 k( 55) = ( -0.0384335 0.0693123 1.0310636), wk = 0.0031447 k( 56) = ( -0.0480419 0.0866403 1.0310636), wk = 0.0031447 k( 57) = ( -0.0576503 0.1039684 1.0310636), wk = 0.0031447 k( 58) = ( -0.0672587 0.1212965 1.0310636), wk = 0.0031447 k( 59) = ( -0.0768671 0.1386245 1.0310636), wk = 0.0031447 k( 60) = ( -0.0768671 0.1386245 1.0310636), wk = 0.0031447 k( 61) = ( -0.0839193 0.1513427 1.0165210), wk = 0.0031447 k( 62) = ( -0.0909715 0.1640609 1.0019785), wk = 0.0031447 k( 63) = ( -0.0980237 0.1767791 0.9874359), wk = 0.0031447 k( 64) = ( -0.1050759 0.1894973 0.9728933), wk = 0.0031447 k( 65) = ( -0.1121281 0.2022155 0.9583508), wk = 0.0031447 k( 66) = ( -0.1191804 0.2149337 0.9438082), wk = 0.0031447 k( 67) = ( -0.1262326 0.2276519 0.9292656), wk = 0.0031447 k( 68) = ( -0.1332848 0.2403701 0.9147231), wk = 0.0031447 k( 69) = ( -0.1403370 0.2530883 0.9001805), wk = 0.0031447 k( 70) = ( -0.1473892 0.2658065 0.8856379), wk = 0.0031447 k( 71) = ( -0.1544414 0.2785247 0.8710954), wk = 0.0031447 k( 72) = ( -0.1614936 0.2912429 0.8565528), wk = 0.0031447 k( 73) = ( -0.1685459 0.3039611 0.8420102), wk = 0.0031447 k( 74) = ( -0.1755981 0.3166793 0.8274677), wk = 0.0031447 k( 75) = ( -0.1826503 0.3293975 0.8129251), wk = 0.0031447 k( 76) = ( -0.1897025 0.3421157 0.7983825), wk = 0.0031447 k( 77) = ( -0.1967547 0.3548339 0.7838400), wk = 0.0031447 k( 78) = ( -0.2038069 0.3675520 0.7692974), wk = 0.0031447 k( 79) = ( -0.2108592 0.3802702 0.7547548), wk = 0.0031447 k( 80) = ( -0.2179114 0.3929884 0.7402123), wk = 0.0031447 k( 81) = ( -0.2249636 0.4057066 0.7256697), wk = 0.0031447 k( 82) = ( -0.2320158 0.4184248 0.7111271), wk = 0.0031447 k( 83) = ( -0.2390680 0.4311430 0.6965846), wk = 0.0031447 k( 84) = ( -0.2461202 0.4438612 0.6820420), wk = 0.0031447 k( 85) = ( -0.2531724 0.4565794 0.6674995), wk = 0.0031447 k( 86) = ( -0.2602247 0.4692976 0.6529569), wk = 0.0031447 k( 87) = ( -0.2672769 0.4820158 0.6384143), wk = 0.0031447 k( 88) = ( -0.2743291 0.4947340 0.6238718), wk = 0.0031447 k( 89) = ( -0.2813813 0.5074522 0.6093292), wk = 0.0031447 k( 90) = ( -0.2884335 0.5201704 0.5947866), wk = 0.0031447 k( 91) = ( -0.2884335 0.5201704 0.5947866), wk = 0.0031447 k( 92) = ( -0.2812227 0.5071661 0.5799170), wk = 0.0031447 k( 93) = ( -0.2740119 0.4941619 0.5650473), wk = 0.0031447 k( 94) = ( -0.2668010 0.4811576 0.5501776), wk = 0.0031447 k( 95) = ( -0.2595902 0.4681533 0.5353080), wk = 0.0031447 k( 96) = ( -0.2523793 0.4551491 0.5204383), wk = 0.0031447 k( 97) = ( -0.2451685 0.4421448 0.5055686), wk = 0.0031447 k( 98) = ( -0.2379577 0.4291406 0.4906990), wk = 0.0031447 k( 99) = ( -0.2307468 0.4161363 0.4758293), wk = 0.0031447 k( 100) = ( -0.2235360 0.4031321 0.4609596), wk = 0.0031447 k( 101) = ( -0.2163251 0.3901278 0.4460900), wk = 0.0031447 k( 102) = ( -0.2091143 0.3771235 0.4312203), wk = 0.0031447 k( 103) = ( -0.2019035 0.3641193 0.4163506), wk = 0.0031447 k( 104) = ( -0.1946926 0.3511150 0.4014810), wk = 0.0031447 k( 105) = ( -0.1874818 0.3381107 0.3866113), wk = 0.0031447 k( 106) = ( -0.1802710 0.3251065 0.3717416), wk = 0.0031447 k( 107) = ( -0.1730601 0.3121022 0.3568720), wk = 0.0031447 k( 108) = ( -0.1658493 0.2990980 0.3420023), wk = 0.0031447 k( 109) = ( -0.1586384 0.2860937 0.3271326), wk = 0.0031447 k( 110) = ( -0.1514276 0.2730894 0.3122630), wk = 0.0031447 k( 111) = ( -0.1442168 0.2600852 0.2973933), wk = 0.0031447 k( 112) = ( -0.1370059 0.2470809 0.2825237), wk = 0.0031447 k( 113) = ( -0.1297951 0.2340767 0.2676540), wk = 0.0031447 k( 114) = ( -0.1225843 0.2210724 0.2527843), wk = 0.0031447 k( 115) = ( -0.1153734 0.2080681 0.2379146), wk = 0.0031447 k( 116) = ( -0.1081626 0.1950639 0.2230450), wk = 0.0031447 k( 117) = ( -0.1009517 0.1820596 0.2081753), wk = 0.0031447 k( 118) = ( -0.0937409 0.1690554 0.1933057), wk = 0.0031447 k( 119) = ( -0.0865301 0.1560511 0.1784360), wk = 0.0031447 k( 120) = ( -0.0793192 0.1430469 0.1635663), wk = 0.0031447 k( 121) = ( -0.0721084 0.1300426 0.1486967), wk = 0.0031447 k( 122) = ( -0.0648975 0.1170383 0.1338270), wk = 0.0031447 k( 123) = ( -0.0576867 0.1040341 0.1189573), wk = 0.0031447 k( 124) = ( -0.0504759 0.0910298 0.1040877), wk = 0.0031447 k( 125) = ( -0.0432650 0.0780256 0.0892180), wk = 0.0031447 k( 126) = ( -0.0360542 0.0650213 0.0743483), wk = 0.0031447 k( 127) = ( -0.0288434 0.0520170 0.0594787), wk = 0.0031447 k( 128) = ( -0.0216325 0.0390128 0.0446090), wk = 0.0031447 k( 129) = ( -0.0144217 0.0260085 0.0297393), wk = 0.0031447 k( 130) = ( -0.0072108 0.0130043 0.0148697), wk = 0.0031447 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 133) = ( 0.0178571 0.0099018 -0.0000000), wk = 0.0031447 k( 134) = ( 0.0357143 0.0198035 -0.0000000), wk = 0.0031447 k( 135) = ( 0.0535714 0.0297053 -0.0000000), wk = 0.0031447 k( 136) = ( 0.0714286 0.0396070 -0.0000000), wk = 0.0031447 k( 137) = ( 0.0892857 0.0495088 -0.0000000), wk = 0.0031447 k( 138) = ( 0.1071429 0.0594105 -0.0000000), wk = 0.0031447 k( 139) = ( 0.1250000 0.0693123 -0.0000000), wk = 0.0031447 k( 140) = ( 0.1428571 0.0792140 -0.0000000), wk = 0.0031447 k( 141) = ( 0.1607143 0.0891158 -0.0000000), wk = 0.0031447 k( 142) = ( 0.1785714 0.0990175 -0.0000000), wk = 0.0031447 k( 143) = ( 0.1964286 0.1089193 -0.0000000), wk = 0.0031447 k( 144) = ( 0.2142857 0.1188210 -0.0000000), wk = 0.0031447 k( 145) = ( 0.2321429 0.1287228 -0.0000000), wk = 0.0031447 k( 146) = ( 0.2500000 0.1386245 -0.0000000), wk = 0.0031447 k( 147) = ( 0.2678571 0.1485263 -0.0000000), wk = 0.0031447 k( 148) = ( 0.2857143 0.1584281 -0.0000000), wk = 0.0031447 k( 149) = ( 0.3035714 0.1683298 -0.0000000), wk = 0.0031447 k( 150) = ( 0.3214286 0.1782316 -0.0000000), wk = 0.0031447 k( 151) = ( 0.3392857 0.1881333 -0.0000000), wk = 0.0031447 k( 152) = ( 0.3571429 0.1980351 -0.0000000), wk = 0.0031447 k( 153) = ( 0.3750000 0.2079368 -0.0000000), wk = 0.0031447 k( 154) = ( 0.3928571 0.2178386 -0.0000000), wk = 0.0031447 k( 155) = ( 0.4107143 0.2277403 -0.0000000), wk = 0.0031447 k( 156) = ( 0.4285714 0.2376421 -0.0000000), wk = 0.0031447 k( 157) = ( 0.4464286 0.2475438 -0.0000000), wk = 0.0031447 k( 158) = ( 0.4642857 0.2574456 -0.0000000), wk = 0.0031447 k( 159) = ( 0.4821429 0.2673473 -0.0000000), wk = 0.0031447 k( 160) = ( 0.5000000 0.2772491 -0.0000000), wk = 0.0031447 k( 161) = ( 0.5000000 0.2772491 -0.0000000), wk = 0.0031447 k( 162) = ( 0.4929478 0.2899673 0.0145426), wk = 0.0031447 k( 163) = ( 0.4858956 0.3026855 0.0290851), wk = 0.0031447 k( 164) = ( 0.4788434 0.3154037 0.0436277), wk = 0.0031447 k( 165) = ( 0.4717911 0.3281219 0.0581703), wk = 0.0031447 k( 166) = ( 0.4647389 0.3408401 0.0727128), wk = 0.0031447 k( 167) = ( 0.4576867 0.3535582 0.0872554), wk = 0.0031447 k( 168) = ( 0.4506345 0.3662765 0.1017980), wk = 0.0031447 k( 169) = ( 0.4435823 0.3789947 0.1163405), wk = 0.0031447 k( 170) = ( 0.4365301 0.3917128 0.1308831), wk = 0.0031447 k( 171) = ( 0.4294778 0.4044310 0.1454257), wk = 0.0031447 k( 172) = ( 0.4224256 0.4171492 0.1599682), wk = 0.0031447 k( 173) = ( 0.4153734 0.4298674 0.1745108), wk = 0.0031447 k( 174) = ( 0.4083212 0.4425856 0.1890533), wk = 0.0031447 k( 175) = ( 0.4012690 0.4553038 0.2035959), wk = 0.0031447 k( 176) = ( 0.3942168 0.4680220 0.2181385), wk = 0.0031447 k( 177) = ( 0.3871645 0.4807402 0.2326810), wk = 0.0031447 k( 178) = ( 0.3801123 0.4934584 0.2472236), wk = 0.0031447 k( 179) = ( 0.3730601 0.5061766 0.2617662), wk = 0.0031447 k( 180) = ( 0.3660079 0.5188948 0.2763088), wk = 0.0031447 k( 181) = ( 0.3589557 0.5316130 0.2908513), wk = 0.0031447 k( 182) = ( 0.3519035 0.5443312 0.3053939), wk = 0.0031447 k( 183) = ( 0.3448512 0.5570494 0.3199365), wk = 0.0031447 k( 184) = ( 0.3377990 0.5697676 0.3344790), wk = 0.0031447 k( 185) = ( 0.3307468 0.5824858 0.3490216), wk = 0.0031447 k( 186) = ( 0.3236946 0.5952039 0.3635641), wk = 0.0031447 k( 187) = ( 0.3166424 0.6079222 0.3781067), wk = 0.0031447 k( 188) = ( 0.3095902 0.6206403 0.3926493), wk = 0.0031447 k( 189) = ( 0.3025380 0.6333585 0.4071918), wk = 0.0031447 k( 190) = ( 0.2954857 0.6460767 0.4217344), wk = 0.0031447 k( 191) = ( 0.2884335 0.6587949 0.4362770), wk = 0.0031447 k( 192) = ( 0.2884335 0.6587949 0.4362770), wk = 0.0031447 k( 193) = ( 0.2692046 0.6541741 0.4415606), wk = 0.0031447 k( 194) = ( 0.2499757 0.6495533 0.4468443), wk = 0.0031447 k( 195) = ( 0.2307468 0.6449325 0.4521279), wk = 0.0031447 k( 196) = ( 0.2115179 0.6403117 0.4574116), wk = 0.0031447 k( 197) = ( 0.1922890 0.6356908 0.4626952), wk = 0.0031447 k( 198) = ( 0.1730601 0.6310700 0.4679789), wk = 0.0031447 k( 199) = ( 0.1538312 0.6264492 0.4732625), wk = 0.0031447 k( 200) = ( 0.1346023 0.6218284 0.4785462), wk = 0.0031447 k( 201) = ( 0.1153734 0.6172076 0.4838299), wk = 0.0031447 k( 202) = ( 0.0961445 0.6125867 0.4891135), wk = 0.0031447 k( 203) = ( 0.0769156 0.6079659 0.4943972), wk = 0.0031447 k( 204) = ( 0.0576867 0.6033451 0.4996808), wk = 0.0031447 k( 205) = ( 0.0384578 0.5987243 0.5049645), wk = 0.0031447 k( 206) = ( 0.0192289 0.5941035 0.5102481), wk = 0.0031447 k( 207) = ( 0.0000000 0.5894827 0.5155318), wk = 0.0031447 k( 208) = ( 0.0000000 0.5894827 0.5155318), wk = 0.0031447 k( 209) = ( 0.0071429 0.5766010 0.5302613), wk = 0.0031447 k( 210) = ( 0.0142857 0.5637193 0.5449907), wk = 0.0031447 k( 211) = ( 0.0214286 0.5508377 0.5597202), wk = 0.0031447 k( 212) = ( 0.0285714 0.5379560 0.5744497), wk = 0.0031447 k( 213) = ( 0.0357143 0.5250743 0.5891792), wk = 0.0031447 k( 214) = ( 0.0428571 0.5121927 0.6039087), wk = 0.0031447 k( 215) = ( 0.0500000 0.4993110 0.6186382), wk = 0.0031447 k( 216) = ( 0.0571429 0.4864294 0.6333676), wk = 0.0031447 k( 217) = ( 0.0642857 0.4735477 0.6480971), wk = 0.0031447 k( 218) = ( 0.0714286 0.4606661 0.6628266), wk = 0.0031447 k( 219) = ( 0.0785714 0.4477844 0.6775561), wk = 0.0031447 k( 220) = ( 0.0857143 0.4349027 0.6922856), wk = 0.0031447 k( 221) = ( 0.0928571 0.4220211 0.7070150), wk = 0.0031447 k( 222) = ( 0.1000000 0.4091394 0.7217445), wk = 0.0031447 k( 223) = ( 0.1071429 0.3962577 0.7364740), wk = 0.0031447 k( 224) = ( 0.1142857 0.3833761 0.7512035), wk = 0.0031447 k( 225) = ( 0.1214286 0.3704944 0.7659330), wk = 0.0031447 k( 226) = ( 0.1285714 0.3576128 0.7806624), wk = 0.0031447 k( 227) = ( 0.1357143 0.3447311 0.7953919), wk = 0.0031447 k( 228) = ( 0.1428571 0.3318495 0.8101214), wk = 0.0031447 k( 229) = ( 0.1500000 0.3189678 0.8248509), wk = 0.0031447 k( 230) = ( 0.1571429 0.3060861 0.8395804), wk = 0.0031447 k( 231) = ( 0.1642857 0.2932045 0.8543098), wk = 0.0031447 k( 232) = ( 0.1714286 0.2803228 0.8690393), wk = 0.0031447 k( 233) = ( 0.1785714 0.2674411 0.8837688), wk = 0.0031447 k( 234) = ( 0.1857143 0.2545595 0.8984983), wk = 0.0031447 k( 235) = ( 0.1928571 0.2416778 0.9132277), wk = 0.0031447 k( 236) = ( 0.2000000 0.2287962 0.9279572), wk = 0.0031447 k( 237) = ( 0.2071429 0.2159145 0.9426867), wk = 0.0031447 k( 238) = ( 0.2142857 0.2030329 0.9574162), wk = 0.0031447 k( 239) = ( 0.2214286 0.1901512 0.9721457), wk = 0.0031447 k( 240) = ( 0.2285714 0.1772695 0.9868752), wk = 0.0031447 k( 241) = ( 0.2357143 0.1643879 1.0016046), wk = 0.0031447 k( 242) = ( 0.2428571 0.1515062 1.0163341), wk = 0.0031447 k( 243) = ( 0.2500000 0.1386245 1.0310636), wk = 0.0031447 k( 244) = ( 0.2500000 0.1386245 1.0310636), wk = 0.0031447 k( 245) = ( 0.2656250 0.1472886 1.0211567), wk = 0.0031447 k( 246) = ( 0.2812500 0.1559526 1.0112499), wk = 0.0031447 k( 247) = ( 0.2968750 0.1646166 1.0013430), wk = 0.0031447 k( 248) = ( 0.3125000 0.1732807 0.9914362), wk = 0.0031447 k( 249) = ( 0.3281250 0.1819447 0.9815293), wk = 0.0031447 k( 250) = ( 0.3437500 0.1906087 0.9716225), wk = 0.0031447 k( 251) = ( 0.3593750 0.1992728 0.9617156), wk = 0.0031447 k( 252) = ( 0.3750000 0.2079368 0.9518088), wk = 0.0031447 k( 253) = ( 0.3906250 0.2166009 0.9419019), wk = 0.0031447 k( 254) = ( 0.4062500 0.2252649 0.9319951), wk = 0.0031447 k( 255) = ( 0.4218750 0.2339289 0.9220882), wk = 0.0031447 k( 256) = ( 0.4375000 0.2425930 0.9121814), wk = 0.0031447 k( 257) = ( 0.4531250 0.2512570 0.9022745), wk = 0.0031447 k( 258) = ( 0.4687500 0.2599210 0.8923676), wk = 0.0031447 k( 259) = ( 0.4843750 0.2685851 0.8824608), wk = 0.0031447 k( 260) = ( 0.5000000 0.2772491 0.8725539), wk = 0.0031447 k( 261) = ( 0.5000000 0.2772491 0.8725539), wk = 0.0031447 k( 262) = ( 0.5000000 0.2772491 0.8517789), wk = 0.0031447 k( 263) = ( 0.5000000 0.2772491 0.8310037), wk = 0.0031447 k( 264) = ( 0.5000000 0.2772491 0.8102287), wk = 0.0031447 k( 265) = ( 0.5000000 0.2772491 0.7894536), wk = 0.0031447 k( 266) = ( 0.5000000 0.2772491 0.7686785), wk = 0.0031447 k( 267) = ( 0.5000000 0.2772491 0.7479034), wk = 0.0031447 k( 268) = ( 0.5000000 0.2772491 0.7271283), wk = 0.0031447 k( 269) = ( 0.5000000 0.2772491 0.7063532), wk = 0.0031447 k( 270) = ( 0.5000000 0.2772491 0.6855781), wk = 0.0031447 k( 271) = ( 0.5000000 0.2772491 0.6648030), wk = 0.0031447 k( 272) = ( 0.5000000 0.2772491 0.6440279), wk = 0.0031447 k( 273) = ( 0.5000000 0.2772491 0.6232528), wk = 0.0031447 k( 274) = ( 0.5000000 0.2772491 0.6024777), wk = 0.0031447 k( 275) = ( 0.5000000 0.2772491 0.5817026), wk = 0.0031447 k( 276) = ( 0.5000000 0.2772491 0.5609275), wk = 0.0031447 k( 277) = ( 0.5000000 0.2772491 0.5401524), wk = 0.0031447 k( 278) = ( 0.5000000 0.2772491 0.5193774), wk = 0.0031447 k( 279) = ( 0.5000000 0.2772491 0.4986022), wk = 0.0031447 k( 280) = ( 0.5000000 0.2772491 0.4778272), wk = 0.0031447 k( 281) = ( 0.5000000 0.2772491 0.4570521), wk = 0.0031447 k( 282) = ( 0.5000000 0.2772491 0.4362770), wk = 0.0031447 k( 283) = ( 0.5000000 0.2772491 0.4155019), wk = 0.0031447 k( 284) = ( 0.5000000 0.2772491 0.3947268), wk = 0.0031447 k( 285) = ( 0.5000000 0.2772491 0.3739517), wk = 0.0031447 k( 286) = ( 0.5000000 0.2772491 0.3531766), wk = 0.0031447 k( 287) = ( 0.5000000 0.2772491 0.3324015), wk = 0.0031447 k( 288) = ( 0.5000000 0.2772491 0.3116264), wk = 0.0031447 k( 289) = ( 0.5000000 0.2772491 0.2908513), wk = 0.0031447 k( 290) = ( 0.5000000 0.2772491 0.2700762), wk = 0.0031447 k( 291) = ( 0.5000000 0.2772491 0.2493011), wk = 0.0031447 k( 292) = ( 0.5000000 0.2772491 0.2285260), wk = 0.0031447 k( 293) = ( 0.5000000 0.2772491 0.2077509), wk = 0.0031447 k( 294) = ( 0.5000000 0.2772491 0.1869758), wk = 0.0031447 k( 295) = ( 0.5000000 0.2772491 0.1662007), wk = 0.0031447 k( 296) = ( 0.5000000 0.2772491 0.1454257), wk = 0.0031447 k( 297) = ( 0.5000000 0.2772491 0.1246506), wk = 0.0031447 k( 298) = ( 0.5000000 0.2772491 0.1038755), wk = 0.0031447 k( 299) = ( 0.5000000 0.2772491 0.0831004), wk = 0.0031447 k( 300) = ( 0.5000000 0.2772491 0.0623253), wk = 0.0031447 k( 301) = ( 0.5000000 0.2772491 0.0415502), wk = 0.0031447 k( 302) = ( 0.5000000 0.2772491 0.0207751), wk = 0.0031447 k( 303) = ( 0.5000000 0.2772491 -0.0000000), wk = 0.0031447 k( 304) = ( 0.0000000 0.0000000 1.0310636), wk = 0.0031447 k( 305) = ( 0.0178571 0.0099018 1.0310636), wk = 0.0031447 k( 306) = ( 0.0357143 0.0198035 1.0310636), wk = 0.0031447 k( 307) = ( 0.0535714 0.0297053 1.0310636), wk = 0.0031447 k( 308) = ( 0.0714286 0.0396070 1.0310636), wk = 0.0031447 k( 309) = ( 0.0892857 0.0495088 1.0310636), wk = 0.0031447 k( 310) = ( 0.1071429 0.0594105 1.0310636), wk = 0.0031447 k( 311) = ( 0.1250000 0.0693123 1.0310636), wk = 0.0031447 k( 312) = ( 0.1428571 0.0792140 1.0310636), wk = 0.0031447 k( 313) = ( 0.1607143 0.0891158 1.0310636), wk = 0.0031447 k( 314) = ( 0.1785714 0.0990175 1.0310636), wk = 0.0031447 k( 315) = ( 0.1964286 0.1089193 1.0310636), wk = 0.0031447 k( 316) = ( 0.2142857 0.1188210 1.0310636), wk = 0.0031447 k( 317) = ( 0.2321429 0.1287228 1.0310636), wk = 0.0031447 k( 318) = ( 0.2500000 0.1386245 1.0310636), wk = 0.0031447 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 2) = ( 0.0000000 0.0000000 0.0102041), wk = 0.0031447 k( 3) = ( 0.0000000 0.0000000 0.0204082), wk = 0.0031447 k( 4) = ( 0.0000000 0.0000000 0.0306122), wk = 0.0031447 k( 5) = ( 0.0000000 0.0000000 0.0408163), wk = 0.0031447 k( 6) = ( 0.0000000 0.0000000 0.0510204), wk = 0.0031447 k( 7) = ( 0.0000000 0.0000000 0.0612245), wk = 0.0031447 k( 8) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0031447 k( 9) = ( 0.0000000 0.0000000 0.0816327), wk = 0.0031447 k( 10) = ( 0.0000000 0.0000000 0.0918367), wk = 0.0031447 k( 11) = ( 0.0000000 0.0000000 0.1020408), wk = 0.0031447 k( 12) = ( 0.0000000 0.0000000 0.1122449), wk = 0.0031447 k( 13) = ( 0.0000000 0.0000000 0.1224490), wk = 0.0031447 k( 14) = ( 0.0000000 0.0000000 0.1326531), wk = 0.0031447 k( 15) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0031447 k( 16) = ( 0.0000000 0.0000000 0.1530612), wk = 0.0031447 k( 17) = ( 0.0000000 0.0000000 0.1632653), wk = 0.0031447 k( 18) = ( 0.0000000 0.0000000 0.1734694), wk = 0.0031447 k( 19) = ( 0.0000000 0.0000000 0.1836735), wk = 0.0031447 k( 20) = ( 0.0000000 0.0000000 0.1938776), wk = 0.0031447 k( 21) = ( 0.0000000 0.0000000 0.2040816), wk = 0.0031447 k( 22) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0031447 k( 23) = ( 0.0000000 0.0000000 0.2244898), wk = 0.0031447 k( 24) = ( 0.0000000 0.0000000 0.2346939), wk = 0.0031447 k( 25) = ( 0.0000000 0.0000000 0.2448980), wk = 0.0031447 k( 26) = ( 0.0000000 0.0000000 0.2551020), wk = 0.0031447 k( 27) = ( 0.0000000 0.0000000 0.2653061), wk = 0.0031447 k( 28) = ( 0.0000000 0.0000000 0.2755102), wk = 0.0031447 k( 29) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0031447 k( 30) = ( 0.0000000 0.0000000 0.2959184), wk = 0.0031447 k( 31) = ( 0.0000000 0.0000000 0.3061225), wk = 0.0031447 k( 32) = ( 0.0000000 0.0000000 0.3163265), wk = 0.0031447 k( 33) = ( 0.0000000 0.0000000 0.3265306), wk = 0.0031447 k( 34) = ( 0.0000000 0.0000000 0.3367347), wk = 0.0031447 k( 35) = ( 0.0000000 0.0000000 0.3469388), wk = 0.0031447 k( 36) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0031447 k( 37) = ( 0.0000000 0.0000000 0.3673469), wk = 0.0031447 k( 38) = ( 0.0000000 0.0000000 0.3775510), wk = 0.0031447 k( 39) = ( 0.0000000 0.0000000 0.3877551), wk = 0.0031447 k( 40) = ( 0.0000000 0.0000000 0.3979592), wk = 0.0031447 k( 41) = ( 0.0000000 0.0000000 0.4081633), wk = 0.0031447 k( 42) = ( 0.0000000 0.0000000 0.4183674), wk = 0.0031447 k( 43) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0031447 k( 44) = ( 0.0000000 0.0000000 0.4387755), wk = 0.0031447 k( 45) = ( 0.0000000 0.0000000 0.4489796), wk = 0.0031447 k( 46) = ( 0.0000000 0.0000000 0.4591837), wk = 0.0031447 k( 47) = ( 0.0000000 0.0000000 0.4693878), wk = 0.0031447 k( 48) = ( 0.0000000 0.0000000 0.4795918), wk = 0.0031447 k( 49) = ( 0.0000000 0.0000000 0.4897959), wk = 0.0031447 k( 50) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031447 k( 51) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031447 k( 52) = ( -0.0096084 0.0096084 0.5000000), wk = 0.0031447 k( 53) = ( -0.0192168 0.0192168 0.5000000), wk = 0.0031447 k( 54) = ( -0.0288252 0.0288252 0.5000000), wk = 0.0031447 k( 55) = ( -0.0384335 0.0384335 0.5000000), wk = 0.0031447 k( 56) = ( -0.0480419 0.0480419 0.5000000), wk = 0.0031447 k( 57) = ( -0.0576503 0.0576503 0.5000000), wk = 0.0031447 k( 58) = ( -0.0672587 0.0672587 0.5000000), wk = 0.0031447 k( 59) = ( -0.0768671 0.0768671 0.5000000), wk = 0.0031447 k( 60) = ( -0.0768671 0.0768671 0.5000000), wk = 0.0031447 k( 61) = ( -0.0839193 0.0839193 0.4929478), wk = 0.0031447 k( 62) = ( -0.0909715 0.0909715 0.4858956), wk = 0.0031447 k( 63) = ( -0.0980237 0.0980237 0.4788434), wk = 0.0031447 k( 64) = ( -0.1050759 0.1050759 0.4717911), wk = 0.0031447 k( 65) = ( -0.1121281 0.1121281 0.4647389), wk = 0.0031447 k( 66) = ( -0.1191804 0.1191804 0.4576867), wk = 0.0031447 k( 67) = ( -0.1262326 0.1262326 0.4506345), wk = 0.0031447 k( 68) = ( -0.1332848 0.1332848 0.4435823), wk = 0.0031447 k( 69) = ( -0.1403370 0.1403370 0.4365301), wk = 0.0031447 k( 70) = ( -0.1473892 0.1473892 0.4294778), wk = 0.0031447 k( 71) = ( -0.1544414 0.1544414 0.4224256), wk = 0.0031447 k( 72) = ( -0.1614936 0.1614936 0.4153734), wk = 0.0031447 k( 73) = ( -0.1685459 0.1685459 0.4083212), wk = 0.0031447 k( 74) = ( -0.1755981 0.1755981 0.4012690), wk = 0.0031447 k( 75) = ( -0.1826503 0.1826503 0.3942168), wk = 0.0031447 k( 76) = ( -0.1897025 0.1897025 0.3871646), wk = 0.0031447 k( 77) = ( -0.1967547 0.1967547 0.3801123), wk = 0.0031447 k( 78) = ( -0.2038069 0.2038069 0.3730601), wk = 0.0031447 k( 79) = ( -0.2108592 0.2108592 0.3660079), wk = 0.0031447 k( 80) = ( -0.2179114 0.2179114 0.3589557), wk = 0.0031447 k( 81) = ( -0.2249636 0.2249636 0.3519035), wk = 0.0031447 k( 82) = ( -0.2320158 0.2320158 0.3448512), wk = 0.0031447 k( 83) = ( -0.2390680 0.2390680 0.3377990), wk = 0.0031447 k( 84) = ( -0.2461202 0.2461202 0.3307468), wk = 0.0031447 k( 85) = ( -0.2531724 0.2531724 0.3236946), wk = 0.0031447 k( 86) = ( -0.2602247 0.2602247 0.3166424), wk = 0.0031447 k( 87) = ( -0.2672769 0.2672769 0.3095902), wk = 0.0031447 k( 88) = ( -0.2743291 0.2743291 0.3025380), wk = 0.0031447 k( 89) = ( -0.2813813 0.2813813 0.2954857), wk = 0.0031447 k( 90) = ( -0.2884335 0.2884335 0.2884335), wk = 0.0031447 k( 91) = ( -0.2884335 0.2884335 0.2884335), wk = 0.0031447 k( 92) = ( -0.2812227 0.2812227 0.2812227), wk = 0.0031447 k( 93) = ( -0.2740119 0.2740119 0.2740119), wk = 0.0031447 k( 94) = ( -0.2668010 0.2668010 0.2668010), wk = 0.0031447 k( 95) = ( -0.2595902 0.2595902 0.2595902), wk = 0.0031447 k( 96) = ( -0.2523793 0.2523793 0.2523793), wk = 0.0031447 k( 97) = ( -0.2451685 0.2451685 0.2451685), wk = 0.0031447 k( 98) = ( -0.2379577 0.2379577 0.2379577), wk = 0.0031447 k( 99) = ( -0.2307468 0.2307468 0.2307468), wk = 0.0031447 k( 100) = ( -0.2235360 0.2235360 0.2235360), wk = 0.0031447 k( 101) = ( -0.2163251 0.2163251 0.2163252), wk = 0.0031447 k( 102) = ( -0.2091143 0.2091143 0.2091143), wk = 0.0031447 k( 103) = ( -0.2019035 0.2019035 0.2019035), wk = 0.0031447 k( 104) = ( -0.1946926 0.1946926 0.1946926), wk = 0.0031447 k( 105) = ( -0.1874818 0.1874818 0.1874818), wk = 0.0031447 k( 106) = ( -0.1802710 0.1802710 0.1802710), wk = 0.0031447 k( 107) = ( -0.1730601 0.1730601 0.1730601), wk = 0.0031447 k( 108) = ( -0.1658493 0.1658493 0.1658493), wk = 0.0031447 k( 109) = ( -0.1586384 0.1586384 0.1586384), wk = 0.0031447 k( 110) = ( -0.1514276 0.1514276 0.1514276), wk = 0.0031447 k( 111) = ( -0.1442168 0.1442168 0.1442168), wk = 0.0031447 k( 112) = ( -0.1370059 0.1370059 0.1370059), wk = 0.0031447 k( 113) = ( -0.1297951 0.1297951 0.1297951), wk = 0.0031447 k( 114) = ( -0.1225843 0.1225843 0.1225843), wk = 0.0031447 k( 115) = ( -0.1153734 0.1153734 0.1153734), wk = 0.0031447 k( 116) = ( -0.1081626 0.1081626 0.1081626), wk = 0.0031447 k( 117) = ( -0.1009517 0.1009517 0.1009517), wk = 0.0031447 k( 118) = ( -0.0937409 0.0937409 0.0937409), wk = 0.0031447 k( 119) = ( -0.0865301 0.0865301 0.0865301), wk = 0.0031447 k( 120) = ( -0.0793192 0.0793192 0.0793192), wk = 0.0031447 k( 121) = ( -0.0721084 0.0721084 0.0721084), wk = 0.0031447 k( 122) = ( -0.0648975 0.0648975 0.0648975), wk = 0.0031447 k( 123) = ( -0.0576867 0.0576867 0.0576867), wk = 0.0031447 k( 124) = ( -0.0504759 0.0504759 0.0504759), wk = 0.0031447 k( 125) = ( -0.0432650 0.0432650 0.0432650), wk = 0.0031447 k( 126) = ( -0.0360542 0.0360542 0.0360542), wk = 0.0031447 k( 127) = ( -0.0288434 0.0288434 0.0288434), wk = 0.0031447 k( 128) = ( -0.0216325 0.0216325 0.0216325), wk = 0.0031447 k( 129) = ( -0.0144217 0.0144217 0.0144217), wk = 0.0031447 k( 130) = ( -0.0072108 0.0072108 0.0072108), wk = 0.0031447 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 133) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0031447 k( 134) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0031447 k( 135) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0031447 k( 136) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0031447 k( 137) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0031447 k( 138) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0031447 k( 139) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0031447 k( 140) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0031447 k( 141) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0031447 k( 142) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0031447 k( 143) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0031447 k( 144) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0031447 k( 145) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0031447 k( 146) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0031447 k( 147) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0031447 k( 148) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0031447 k( 149) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0031447 k( 150) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0031447 k( 151) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0031447 k( 152) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0031447 k( 153) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0031447 k( 154) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0031447 k( 155) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0031447 k( 156) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0031447 k( 157) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0031447 k( 158) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0031447 k( 159) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0031447 k( 160) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031447 k( 161) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031447 k( 162) = ( 0.4929478 0.5070522 -0.4929478), wk = 0.0031447 k( 163) = ( 0.4858956 0.5141044 -0.4858956), wk = 0.0031447 k( 164) = ( 0.4788434 0.5211567 -0.4788434), wk = 0.0031447 k( 165) = ( 0.4717911 0.5282089 -0.4717911), wk = 0.0031447 k( 166) = ( 0.4647389 0.5352611 -0.4647389), wk = 0.0031447 k( 167) = ( 0.4576867 0.5423133 -0.4576867), wk = 0.0031447 k( 168) = ( 0.4506345 0.5493655 -0.4506345), wk = 0.0031447 k( 169) = ( 0.4435823 0.5564177 -0.4435823), wk = 0.0031447 k( 170) = ( 0.4365301 0.5634699 -0.4365301), wk = 0.0031447 k( 171) = ( 0.4294778 0.5705222 -0.4294778), wk = 0.0031447 k( 172) = ( 0.4224256 0.5775744 -0.4224256), wk = 0.0031447 k( 173) = ( 0.4153734 0.5846266 -0.4153734), wk = 0.0031447 k( 174) = ( 0.4083212 0.5916788 -0.4083212), wk = 0.0031447 k( 175) = ( 0.4012690 0.5987310 -0.4012690), wk = 0.0031447 k( 176) = ( 0.3942168 0.6057832 -0.3942168), wk = 0.0031447 k( 177) = ( 0.3871645 0.6128354 -0.3871645), wk = 0.0031447 k( 178) = ( 0.3801123 0.6198877 -0.3801123), wk = 0.0031447 k( 179) = ( 0.3730601 0.6269399 -0.3730601), wk = 0.0031447 k( 180) = ( 0.3660079 0.6339921 -0.3660079), wk = 0.0031447 k( 181) = ( 0.3589557 0.6410443 -0.3589557), wk = 0.0031447 k( 182) = ( 0.3519035 0.6480965 -0.3519035), wk = 0.0031447 k( 183) = ( 0.3448512 0.6551487 -0.3448512), wk = 0.0031447 k( 184) = ( 0.3377990 0.6622010 -0.3377990), wk = 0.0031447 k( 185) = ( 0.3307468 0.6692532 -0.3307468), wk = 0.0031447 k( 186) = ( 0.3236946 0.6763054 -0.3236946), wk = 0.0031447 k( 187) = ( 0.3166424 0.6833576 -0.3166424), wk = 0.0031447 k( 188) = ( 0.3095902 0.6904098 -0.3095902), wk = 0.0031447 k( 189) = ( 0.3025380 0.6974620 -0.3025380), wk = 0.0031447 k( 190) = ( 0.2954857 0.7045143 -0.2954857), wk = 0.0031447 k( 191) = ( 0.2884335 0.7115665 -0.2884335), wk = 0.0031447 k( 192) = ( 0.2884335 0.7115665 -0.2884335), wk = 0.0031447 k( 193) = ( 0.2692046 0.6974620 -0.2692046), wk = 0.0031447 k( 194) = ( 0.2499757 0.6833576 -0.2499757), wk = 0.0031447 k( 195) = ( 0.2307468 0.6692532 -0.2307468), wk = 0.0031447 k( 196) = ( 0.2115179 0.6551488 -0.2115179), wk = 0.0031447 k( 197) = ( 0.1922890 0.6410443 -0.1922890), wk = 0.0031447 k( 198) = ( 0.1730601 0.6269399 -0.1730601), wk = 0.0031447 k( 199) = ( 0.1538312 0.6128354 -0.1538312), wk = 0.0031447 k( 200) = ( 0.1346023 0.5987310 -0.1346023), wk = 0.0031447 k( 201) = ( 0.1153734 0.5846266 -0.1153734), wk = 0.0031447 k( 202) = ( 0.0961445 0.5705222 -0.0961445), wk = 0.0031447 k( 203) = ( 0.0769156 0.5564177 -0.0769156), wk = 0.0031447 k( 204) = ( 0.0576867 0.5423133 -0.0576867), wk = 0.0031447 k( 205) = ( 0.0384578 0.5282089 -0.0384578), wk = 0.0031447 k( 206) = ( 0.0192289 0.5141044 -0.0192289), wk = 0.0031447 k( 207) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031447 k( 208) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031447 k( 209) = ( 0.0071429 0.4928571 0.0071429), wk = 0.0031447 k( 210) = ( 0.0142857 0.4857143 0.0142857), wk = 0.0031447 k( 211) = ( 0.0214286 0.4785714 0.0214286), wk = 0.0031447 k( 212) = ( 0.0285714 0.4714286 0.0285714), wk = 0.0031447 k( 213) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0031447 k( 214) = ( 0.0428571 0.4571429 0.0428571), wk = 0.0031447 k( 215) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0031447 k( 216) = ( 0.0571429 0.4428571 0.0571429), wk = 0.0031447 k( 217) = ( 0.0642857 0.4357143 0.0642857), wk = 0.0031447 k( 218) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0031447 k( 219) = ( 0.0785714 0.4214286 0.0785714), wk = 0.0031447 k( 220) = ( 0.0857143 0.4142857 0.0857143), wk = 0.0031447 k( 221) = ( 0.0928571 0.4071429 0.0928571), wk = 0.0031447 k( 222) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0031447 k( 223) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0031447 k( 224) = ( 0.1142857 0.3857143 0.1142857), wk = 0.0031447 k( 225) = ( 0.1214286 0.3785714 0.1214286), wk = 0.0031447 k( 226) = ( 0.1285714 0.3714286 0.1285714), wk = 0.0031447 k( 227) = ( 0.1357143 0.3642857 0.1357143), wk = 0.0031447 k( 228) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0031447 k( 229) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0031447 k( 230) = ( 0.1571429 0.3428571 0.1571429), wk = 0.0031447 k( 231) = ( 0.1642857 0.3357143 0.1642857), wk = 0.0031447 k( 232) = ( 0.1714286 0.3285714 0.1714286), wk = 0.0031447 k( 233) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0031447 k( 234) = ( 0.1857143 0.3142857 0.1857143), wk = 0.0031447 k( 235) = ( 0.1928571 0.3071429 0.1928571), wk = 0.0031447 k( 236) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0031447 k( 237) = ( 0.2071429 0.2928571 0.2071429), wk = 0.0031447 k( 238) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0031447 k( 239) = ( 0.2214286 0.2785714 0.2214286), wk = 0.0031447 k( 240) = ( 0.2285714 0.2714286 0.2285714), wk = 0.0031447 k( 241) = ( 0.2357143 0.2642857 0.2357143), wk = 0.0031447 k( 242) = ( 0.2428571 0.2571429 0.2428571), wk = 0.0031447 k( 243) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031447 k( 244) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031447 k( 245) = ( 0.2656250 0.2656250 0.2295708), wk = 0.0031447 k( 246) = ( 0.2812500 0.2812500 0.2091416), wk = 0.0031447 k( 247) = ( 0.2968750 0.2968750 0.1887124), wk = 0.0031447 k( 248) = ( 0.3125000 0.3125000 0.1682832), wk = 0.0031447 k( 249) = ( 0.3281250 0.3281250 0.1478540), wk = 0.0031447 k( 250) = ( 0.3437500 0.3437500 0.1274249), wk = 0.0031447 k( 251) = ( 0.3593750 0.3593750 0.1069957), wk = 0.0031447 k( 252) = ( 0.3750000 0.3750000 0.0865665), wk = 0.0031447 k( 253) = ( 0.3906250 0.3906250 0.0661373), wk = 0.0031447 k( 254) = ( 0.4062500 0.4062500 0.0457081), wk = 0.0031447 k( 255) = ( 0.4218750 0.4218750 0.0252789), wk = 0.0031447 k( 256) = ( 0.4375000 0.4375000 0.0048497), wk = 0.0031447 k( 257) = ( 0.4531250 0.4531250 -0.0155795), wk = 0.0031447 k( 258) = ( 0.4687500 0.4687500 -0.0360087), wk = 0.0031447 k( 259) = ( 0.4843750 0.4843750 -0.0564379), wk = 0.0031447 k( 260) = ( 0.5000000 0.5000000 -0.0768671), wk = 0.0031447 k( 261) = ( 0.5000000 0.5000000 -0.0768671), wk = 0.0031447 k( 262) = ( 0.5000000 0.5000000 -0.0869416), wk = 0.0031447 k( 263) = ( 0.5000000 0.5000000 -0.0970163), wk = 0.0031447 k( 264) = ( 0.5000000 0.5000000 -0.1070908), wk = 0.0031447 k( 265) = ( 0.5000000 0.5000000 -0.1171654), wk = 0.0031447 k( 266) = ( 0.5000000 0.5000000 -0.1272400), wk = 0.0031447 k( 267) = ( 0.5000000 0.5000000 -0.1373146), wk = 0.0031447 k( 268) = ( 0.5000000 0.5000000 -0.1473892), wk = 0.0031447 k( 269) = ( 0.5000000 0.5000000 -0.1574638), wk = 0.0031447 k( 270) = ( 0.5000000 0.5000000 -0.1675384), wk = 0.0031447 k( 271) = ( 0.5000000 0.5000000 -0.1776130), wk = 0.0031447 k( 272) = ( 0.5000000 0.5000000 -0.1876876), wk = 0.0031447 k( 273) = ( 0.5000000 0.5000000 -0.1977622), wk = 0.0031447 k( 274) = ( 0.5000000 0.5000000 -0.2078368), wk = 0.0031447 k( 275) = ( 0.5000000 0.5000000 -0.2179114), wk = 0.0031447 k( 276) = ( 0.5000000 0.5000000 -0.2279860), wk = 0.0031447 k( 277) = ( 0.5000000 0.5000000 -0.2380606), wk = 0.0031447 k( 278) = ( 0.5000000 0.5000000 -0.2481351), wk = 0.0031447 k( 279) = ( 0.5000000 0.5000000 -0.2582098), wk = 0.0031447 k( 280) = ( 0.5000000 0.5000000 -0.2682843), wk = 0.0031447 k( 281) = ( 0.5000000 0.5000000 -0.2783589), wk = 0.0031447 k( 282) = ( 0.5000000 0.5000000 -0.2884335), wk = 0.0031447 k( 283) = ( 0.5000000 0.5000000 -0.2985081), wk = 0.0031447 k( 284) = ( 0.5000000 0.5000000 -0.3085827), wk = 0.0031447 k( 285) = ( 0.5000000 0.5000000 -0.3186573), wk = 0.0031447 k( 286) = ( 0.5000000 0.5000000 -0.3287319), wk = 0.0031447 k( 287) = ( 0.5000000 0.5000000 -0.3388065), wk = 0.0031447 k( 288) = ( 0.5000000 0.5000000 -0.3488811), wk = 0.0031447 k( 289) = ( 0.5000000 0.5000000 -0.3589557), wk = 0.0031447 k( 290) = ( 0.5000000 0.5000000 -0.3690303), wk = 0.0031447 k( 291) = ( 0.5000000 0.5000000 -0.3791049), wk = 0.0031447 k( 292) = ( 0.5000000 0.5000000 -0.3891795), wk = 0.0031447 k( 293) = ( 0.5000000 0.5000000 -0.3992541), wk = 0.0031447 k( 294) = ( 0.5000000 0.5000000 -0.4093287), wk = 0.0031447 k( 295) = ( 0.5000000 0.5000000 -0.4194033), wk = 0.0031447 k( 296) = ( 0.5000000 0.5000000 -0.4294778), wk = 0.0031447 k( 297) = ( 0.5000000 0.5000000 -0.4395524), wk = 0.0031447 k( 298) = ( 0.5000000 0.5000000 -0.4496270), wk = 0.0031447 k( 299) = ( 0.5000000 0.5000000 -0.4597016), wk = 0.0031447 k( 300) = ( 0.5000000 0.5000000 -0.4697762), wk = 0.0031447 k( 301) = ( 0.5000000 0.5000000 -0.4798508), wk = 0.0031447 k( 302) = ( 0.5000000 0.5000000 -0.4899254), wk = 0.0031447 k( 303) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031447 k( 304) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031447 k( 305) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0031447 k( 306) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0031447 k( 307) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0031447 k( 308) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0031447 k( 309) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0031447 k( 310) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0031447 k( 311) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0031447 k( 312) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0031447 k( 313) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0031447 k( 314) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0031447 k( 315) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0031447 k( 316) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0031447 k( 317) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0031447 k( 318) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031447 Dense grid: 222781 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 27957 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 204, 50) NL pseudopotentials 0.20 Mb ( 102, 130) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.05 Mb ( 6189) G-vector shells 0.02 Mb ( 2763) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.62 Mb ( 204, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.20 Mb ( 130, 2, 50) The potential is recalculated from file : ./SrxCdGex2.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 5.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.7 secs Computing kpt #: 3 total cpu time spent up to now is 6.2 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 7.4 secs Computing kpt #: 6 total cpu time spent up to now is 8.0 secs Computing kpt #: 7 total cpu time spent up to now is 8.6 secs Computing kpt #: 8 total cpu time spent up to now is 9.2 secs Computing kpt #: 9 total cpu time spent up to now is 9.8 secs Computing kpt #: 10 total cpu time spent up to now is 10.4 secs Computing kpt #: 11 total cpu time spent up to now is 11.1 secs Computing kpt #: 12 total cpu time spent up to now is 11.8 secs Computing kpt #: 13 total cpu time spent up to now is 12.4 secs Computing kpt #: 14 total cpu time spent up to now is 13.0 secs Computing kpt #: 15 total cpu time spent up to now is 13.7 secs Computing kpt #: 16 total cpu time spent up to now is 14.3 secs Computing kpt #: 17 total cpu time spent up to now is 14.9 secs Computing kpt #: 18 total cpu time spent up to now is 15.7 secs Computing kpt #: 19 total cpu time spent up to now is 16.5 secs Computing kpt #: 20 total cpu time spent up to now is 17.4 secs Computing kpt #: 21 total cpu time spent up to now is 18.4 secs Computing kpt #: 22 total cpu time spent up to now is 19.3 secs Computing kpt #: 23 total cpu time spent up to now is 20.1 secs Computing kpt #: 24 total cpu time spent up to now is 21.1 secs Computing kpt #: 25 total cpu time spent up to now is 22.2 secs Computing kpt #: 26 total cpu time spent up to now is 23.2 secs Computing kpt #: 27 total cpu time spent up to now is 24.1 secs Computing kpt #: 28 total cpu time spent up to now is 25.2 secs Computing kpt #: 29 total cpu time spent up to now is 26.3 secs Computing kpt #: 30 total cpu time spent up to now is 27.2 secs Computing kpt #: 31 total cpu time spent up to now is 28.2 secs Computing kpt #: 32 total cpu time spent up to now is 29.1 secs Computing kpt #: 33 total cpu time spent up to now is 30.0 secs Computing kpt #: 34 total cpu time spent up to now is 31.0 secs Computing kpt #: 35 total cpu time spent up to now is 32.1 secs Computing kpt #: 36 total cpu time spent up to now is 33.4 secs Computing kpt #: 37 total cpu time spent up to now is 34.3 secs Computing kpt #: 38 total cpu time spent up to now is 35.1 secs Computing kpt #: 39 total cpu time spent up to now is 35.8 secs Computing kpt #: 40 total cpu time spent up to now is 36.5 secs Computing kpt #: 41 total cpu time spent up to now is 37.2 secs Computing kpt #: 42 total cpu time spent up to now is 37.8 secs Computing kpt #: 43 total cpu time spent up to now is 38.4 secs Computing kpt #: 44 total cpu time spent up to now is 39.0 secs Computing kpt #: 45 total cpu time spent up to now is 39.7 secs Computing kpt #: 46 total cpu time spent up to now is 40.4 secs Computing kpt #: 47 total cpu time spent up to now is 41.0 secs Computing kpt #: 48 total cpu time spent up to now is 41.6 secs Computing kpt #: 49 total cpu time spent up to now is 42.3 secs Computing kpt #: 50 total cpu time spent up to now is 42.9 secs Computing kpt #: 51 total cpu time spent up to now is 43.6 secs Computing kpt #: 52 total cpu time spent up to now is 44.3 secs Computing kpt #: 53 total cpu time spent up to now is 44.9 secs Computing kpt #: 54 total cpu time spent up to now is 45.6 secs Computing kpt #: 55 total cpu time spent up to now is 46.3 secs Computing kpt #: 56 total cpu time spent up to now is 47.1 secs Computing kpt #: 57 total cpu time spent up to now is 48.1 secs Computing kpt #: 58 total cpu time spent up to now is 48.9 secs Computing kpt #: 59 total cpu time spent up to now is 49.9 secs Computing kpt #: 60 total cpu time spent up to now is 50.8 secs Computing kpt #: 61 total cpu time spent up to now is 51.8 secs Computing kpt #: 62 total cpu time spent up to now is 52.7 secs Computing kpt #: 63 total cpu time spent up to now is 53.7 secs Computing kpt #: 64 total cpu time spent up to now is 54.6 secs Computing kpt #: 65 total cpu time spent up to now is 55.7 secs Computing kpt #: 66 total cpu time spent up to now is 56.8 secs Computing kpt #: 67 total cpu time spent up to now is 57.9 secs Computing kpt #: 68 total cpu time spent up to now is 59.1 secs Computing kpt #: 69 total cpu time spent up to now is 60.2 secs Computing kpt #: 70 total cpu time spent up to now is 61.3 secs Computing kpt #: 71 total cpu time spent up to now is 62.4 secs Computing kpt #: 72 total cpu time spent up to now is 63.4 secs Computing kpt #: 73 total cpu time spent up to now is 64.3 secs Computing kpt #: 74 total cpu time spent up to now is 65.3 secs Computing kpt #: 75 total cpu time spent up to now is 66.2 secs Computing kpt #: 76 total cpu time spent up to now is 67.2 secs Computing kpt #: 77 total cpu time spent up to now is 68.2 secs Computing kpt #: 78 total cpu time spent up to now is 69.3 secs Computing kpt #: 79 total cpu time spent up to now is 70.4 secs Computing kpt #: 80 total cpu time spent up to now is 71.6 secs Computing kpt #: 81 total cpu time spent up to now is 72.6 secs Computing kpt #: 82 total cpu time spent up to now is 73.6 secs Computing kpt #: 83 total cpu time spent up to now is 74.5 secs Computing kpt #: 84 total cpu time spent up to now is 75.3 secs Computing kpt #: 85 total cpu time spent up to now is 76.1 secs Computing kpt #: 86 total cpu time spent up to now is 76.8 secs Computing kpt #: 87 total cpu time spent up to now is 77.6 secs Computing kpt #: 88 total cpu time spent up to now is 78.2 secs Computing kpt #: 89 total cpu time spent up to now is 79.0 secs Computing kpt #: 90 total cpu time spent up to now is 79.7 secs Computing kpt #: 91 total cpu time spent up to now is 80.4 secs Computing kpt #: 92 total cpu time spent up to now is 81.2 secs Computing kpt #: 93 total cpu time spent up to now is 81.8 secs Computing kpt #: 94 total cpu time spent up to now is 82.5 secs Computing kpt #: 95 total cpu time spent up to now is 83.1 secs Computing kpt #: 96 total cpu time spent up to now is 83.8 secs Computing kpt #: 97 total cpu time spent up to now is 84.4 secs Computing kpt #: 98 total cpu time spent up to now is 85.0 secs Computing kpt #: 99 total cpu time spent up to now is 85.6 secs Computing kpt #: 100 total cpu time spent up to now is 86.2 secs Computing kpt #: 101 total cpu time spent up to now is 86.8 secs Computing kpt #: 102 total cpu time spent up to now is 87.5 secs Computing kpt #: 103 total cpu time spent up to now is 88.1 secs Computing kpt #: 104 total cpu time spent up to now is 88.8 secs Computing kpt #: 105 total cpu time spent up to now is 89.5 secs Computing kpt #: 106 total cpu time spent up to now is 90.3 secs Computing kpt #: 107 total cpu time spent up to now is 91.0 secs Computing kpt #: 108 total cpu time spent up to now is 91.8 secs Computing kpt #: 109 total cpu time spent up to now is 92.7 secs Computing kpt #: 110 total cpu time spent up to now is 93.6 secs Computing kpt #: 111 total cpu time spent up to now is 94.5 secs Computing kpt #: 112 total cpu time spent up to now is 95.3 secs Computing kpt #: 113 total cpu time spent up to now is 96.1 secs Computing kpt #: 114 total cpu time spent up to now is 96.9 secs Computing kpt #: 115 total cpu time spent up to now is 97.6 secs Computing kpt #: 116 total cpu time spent up to now is 98.4 secs Computing kpt #: 117 total cpu time spent up to now is 99.1 secs Computing kpt #: 118 total cpu time spent up to now is 99.8 secs Computing kpt #: 119 total cpu time spent up to now is 100.4 secs Computing kpt #: 120 total cpu time spent up to now is 101.0 secs Computing kpt #: 121 total cpu time spent up to now is 101.7 secs Computing kpt #: 122 total cpu time spent up to now is 102.3 secs Computing kpt #: 123 total cpu time spent up to now is 102.9 secs Computing kpt #: 124 total cpu time spent up to now is 103.4 secs Computing kpt #: 125 total cpu time spent up to now is 104.0 secs Computing kpt #: 126 total cpu time spent up to now is 104.6 secs Computing kpt #: 127 total cpu time spent up to now is 105.2 secs Computing kpt #: 128 total cpu time spent up to now is 105.8 secs Computing kpt #: 129 total cpu time spent up to now is 106.3 secs Computing kpt #: 130 total cpu time spent up to now is 106.9 secs Computing kpt #: 131 total cpu time spent up to now is 107.5 secs Computing kpt #: 132 total cpu time spent up to now is 108.1 secs Computing kpt #: 133 total cpu time spent up to now is 108.7 secs Computing kpt #: 134 total cpu time spent up to now is 109.3 secs Computing kpt #: 135 total cpu time spent up to now is 109.9 secs Computing kpt #: 136 total cpu time spent up to now is 110.5 secs Computing kpt #: 137 total cpu time spent up to now is 111.1 secs Computing kpt #: 138 total cpu time spent up to now is 111.8 secs Computing kpt #: 139 total cpu time spent up to now is 112.4 secs Computing kpt #: 140 total cpu time spent up to now is 113.2 secs Computing kpt #: 141 total cpu time spent up to now is 113.9 secs Computing kpt #: 142 total cpu time spent up to now is 114.6 secs Computing kpt #: 143 total cpu time spent up to now is 115.3 secs Computing kpt #: 144 total cpu time spent up to now is 116.0 secs Computing kpt #: 145 total cpu time spent up to now is 116.6 secs Computing kpt #: 146 total cpu time spent up to now is 117.3 secs Computing kpt #: 147 total cpu time spent up to now is 118.0 secs Computing kpt #: 148 total cpu time spent up to now is 118.7 secs Computing kpt #: 149 total cpu time spent up to now is 119.4 secs Computing kpt #: 150 total cpu time spent up to now is 120.2 secs Computing kpt #: 151 total cpu time spent up to now is 120.9 secs Computing kpt #: 152 total cpu time spent up to now is 121.7 secs Computing kpt #: 153 total cpu time spent up to now is 122.5 secs Computing kpt #: 154 total cpu time spent up to now is 123.4 secs Computing kpt #: 155 total cpu time spent up to now is 124.2 secs Computing kpt #: 156 total cpu time spent up to now is 125.2 secs Computing kpt #: 157 total cpu time spent up to now is 126.1 secs Computing kpt #: 158 total cpu time spent up to now is 127.2 secs Computing kpt #: 159 total cpu time spent up to now is 128.4 secs Computing kpt #: 160 total cpu time spent up to now is 129.3 secs Computing kpt #: 161 total cpu time spent up to now is 130.3 secs Computing kpt #: 162 total cpu time spent up to now is 131.5 secs Computing kpt #: 163 total cpu time spent up to now is 132.7 secs Computing kpt #: 164 total cpu time spent up to now is 133.9 secs Computing kpt #: 165 total cpu time spent up to now is 134.9 secs Computing kpt #: 166 total cpu time spent up to now is 136.0 secs Computing kpt #: 167 total cpu time spent up to now is 137.0 secs Computing kpt #: 168 total cpu time spent up to now is 138.0 secs Computing kpt #: 169 total cpu time spent up to now is 138.9 secs Computing kpt #: 170 total cpu time spent up to now is 139.9 secs Computing kpt #: 171 total cpu time spent up to now is 140.7 secs Computing kpt #: 172 total cpu time spent up to now is 141.6 secs Computing kpt #: 173 total cpu time spent up to now is 142.5 secs Computing kpt #: 174 total cpu time spent up to now is 143.3 secs Computing kpt #: 175 total cpu time spent up to now is 144.2 secs Computing kpt #: 176 total cpu time spent up to now is 145.1 secs Computing kpt #: 177 total cpu time spent up to now is 146.1 secs Computing kpt #: 178 total cpu time spent up to now is 147.3 secs Computing kpt #: 179 total cpu time spent up to now is 148.3 secs Computing kpt #: 180 total cpu time spent up to now is 149.3 secs Computing kpt #: 181 total cpu time spent up to now is 151.0 secs Computing kpt #: 182 total cpu time spent up to now is 152.4 secs Computing kpt #: 183 total cpu time spent up to now is 153.5 secs Computing kpt #: 184 total cpu time spent up to now is 154.5 secs Computing kpt #: 185 total cpu time spent up to now is 155.5 secs Computing kpt #: 186 total cpu time spent up to now is 156.3 secs Computing kpt #: 187 total cpu time spent up to now is 157.1 secs Computing kpt #: 188 total cpu time spent up to now is 157.9 secs Computing kpt #: 189 total cpu time spent up to now is 158.6 secs Computing kpt #: 190 total cpu time spent up to now is 159.3 secs Computing kpt #: 191 total cpu time spent up to now is 160.0 secs Computing kpt #: 192 total cpu time spent up to now is 160.7 secs Computing kpt #: 193 total cpu time spent up to now is 161.5 secs Computing kpt #: 194 total cpu time spent up to now is 162.2 secs Computing kpt #: 195 total cpu time spent up to now is 163.0 secs Computing kpt #: 196 total cpu time spent up to now is 163.9 secs Computing kpt #: 197 total cpu time spent up to now is 165.3 secs Computing kpt #: 198 total cpu time spent up to now is 166.8 secs Computing kpt #: 199 total cpu time spent up to now is 167.8 secs Computing kpt #: 200 total cpu time spent up to now is 168.8 secs Computing kpt #: 201 total cpu time spent up to now is 169.7 secs Computing kpt #: 202 total cpu time spent up to now is 170.5 secs Computing kpt #: 203 total cpu time spent up to now is 171.2 secs Computing kpt #: 204 total cpu time spent up to now is 171.9 secs Computing kpt #: 205 total cpu time spent up to now is 172.6 secs Computing kpt #: 206 total cpu time spent up to now is 173.2 secs Computing kpt #: 207 total cpu time spent up to now is 173.8 secs Computing kpt #: 208 total cpu time spent up to now is 174.4 secs Computing kpt #: 209 total cpu time spent up to now is 175.1 secs Computing kpt #: 210 total cpu time spent up to now is 175.8 secs Computing kpt #: 211 total cpu time spent up to now is 176.5 secs Computing kpt #: 212 total cpu time spent up to now is 177.2 secs Computing kpt #: 213 total cpu time spent up to now is 177.9 secs Computing kpt #: 214 total cpu time spent up to now is 178.6 secs Computing kpt #: 215 total cpu time spent up to now is 179.3 secs Computing kpt #: 216 total cpu time spent up to now is 180.1 secs Computing kpt #: 217 total cpu time spent up to now is 181.0 secs Computing kpt #: 218 total cpu time spent up to now is 181.9 secs Computing kpt #: 219 total cpu time spent up to now is 183.3 secs Computing kpt #: 220 total cpu time spent up to now is 184.2 secs Computing kpt #: 221 total cpu time spent up to now is 184.9 secs Computing kpt #: 222 total cpu time spent up to now is 185.6 secs Computing kpt #: 223 total cpu time spent up to now is 186.2 secs Computing kpt #: 224 total cpu time spent up to now is 186.8 secs Computing kpt #: 225 total cpu time spent up to now is 187.4 secs Computing kpt #: 226 total cpu time spent up to now is 188.0 secs Computing kpt #: 227 total cpu time spent up to now is 188.6 secs Computing kpt #: 228 total cpu time spent up to now is 189.2 secs Computing kpt #: 229 total cpu time spent up to now is 189.8 secs Computing kpt #: 230 total cpu time spent up to now is 190.4 secs Computing kpt #: 231 total cpu time spent up to now is 191.0 secs Computing kpt #: 232 total cpu time spent up to now is 191.5 secs Computing kpt #: 233 total cpu time spent up to now is 192.1 secs Computing kpt #: 234 total cpu time spent up to now is 192.7 secs Computing kpt #: 235 total cpu time spent up to now is 193.3 secs Computing kpt #: 236 total cpu time spent up to now is 193.9 secs Computing kpt #: 237 total cpu time spent up to now is 194.5 secs Computing kpt #: 238 total cpu time spent up to now is 195.1 secs Computing kpt #: 239 total cpu time spent up to now is 195.7 secs Computing kpt #: 240 total cpu time spent up to now is 196.4 secs Computing kpt #: 241 total cpu time spent up to now is 197.0 secs Computing kpt #: 242 total cpu time spent up to now is 197.6 secs Computing kpt #: 243 total cpu time spent up to now is 198.2 secs Computing kpt #: 244 total cpu time spent up to now is 198.8 secs Computing kpt #: 245 total cpu time spent up to now is 199.5 secs Computing kpt #: 246 total cpu time spent up to now is 200.1 secs Computing kpt #: 247 total cpu time spent up to now is 200.8 secs Computing kpt #: 248 total cpu time spent up to now is 201.5 secs Computing kpt #: 249 total cpu time spent up to now is 202.1 secs Computing kpt #: 250 total cpu time spent up to now is 202.7 secs Computing kpt #: 251 total cpu time spent up to now is 203.4 secs Computing kpt #: 252 total cpu time spent up to now is 204.0 secs Computing kpt #: 253 total cpu time spent up to now is 204.6 secs Computing kpt #: 254 total cpu time spent up to now is 205.3 secs Computing kpt #: 255 total cpu time spent up to now is 206.0 secs Computing kpt #: 256 total cpu time spent up to now is 206.8 secs Computing kpt #: 257 total cpu time spent up to now is 207.7 secs Computing kpt #: 258 total cpu time spent up to now is 208.7 secs Computing kpt #: 259 total cpu time spent up to now is 209.8 secs Computing kpt #: 260 total cpu time spent up to now is 210.8 secs Computing kpt #: 261 total cpu time spent up to now is 211.7 secs Computing kpt #: 262 total cpu time spent up to now is 212.7 secs Computing kpt #: 263 total cpu time spent up to now is 213.6 secs Computing kpt #: 264 total cpu time spent up to now is 214.6 secs Computing kpt #: 265 total cpu time spent up to now is 215.6 secs Computing kpt #: 266 total cpu time spent up to now is 216.6 secs Computing kpt #: 267 total cpu time spent up to now is 217.6 secs Computing kpt #: 268 total cpu time spent up to now is 218.7 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 220.5 secs Computing kpt #: 270 total cpu time spent up to now is 222.2 secs Computing kpt #: 271 total cpu time spent up to now is 223.5 secs Computing kpt #: 272 total cpu time spent up to now is 224.4 secs Computing kpt #: 273 total cpu time spent up to now is 225.2 secs Computing kpt #: 274 total cpu time spent up to now is 226.1 secs Computing kpt #: 275 total cpu time spent up to now is 226.9 secs Computing kpt #: 276 total cpu time spent up to now is 227.8 secs Computing kpt #: 277 total cpu time spent up to now is 228.7 secs Computing kpt #: 278 total cpu time spent up to now is 229.5 secs Computing kpt #: 279 total cpu time spent up to now is 230.4 secs Computing kpt #: 280 total cpu time spent up to now is 231.2 secs Computing kpt #: 281 total cpu time spent up to now is 232.1 secs Computing kpt #: 282 total cpu time spent up to now is 233.0 secs Computing kpt #: 283 total cpu time spent up to now is 233.8 secs Computing kpt #: 284 total cpu time spent up to now is 234.8 secs Computing kpt #: 285 total cpu time spent up to now is 235.7 secs Computing kpt #: 286 total cpu time spent up to now is 236.7 secs Computing kpt #: 287 total cpu time spent up to now is 237.9 secs Computing kpt #: 288 total cpu time spent up to now is 239.1 secs Computing kpt #: 289 total cpu time spent up to now is 240.2 secs Computing kpt #: 290 total cpu time spent up to now is 241.1 secs Computing kpt #: 291 total cpu time spent up to now is 242.0 secs Computing kpt #: 292 total cpu time spent up to now is 243.0 secs Computing kpt #: 293 total cpu time spent up to now is 243.8 secs Computing kpt #: 294 total cpu time spent up to now is 244.8 secs Computing kpt #: 295 total cpu time spent up to now is 245.8 secs Computing kpt #: 296 total cpu time spent up to now is 246.8 secs Computing kpt #: 297 total cpu time spent up to now is 247.8 secs Computing kpt #: 298 total cpu time spent up to now is 248.9 secs Computing kpt #: 299 total cpu time spent up to now is 250.0 secs Computing kpt #: 300 total cpu time spent up to now is 251.2 secs Computing kpt #: 301 total cpu time spent up to now is 252.5 secs Computing kpt #: 302 total cpu time spent up to now is 253.7 secs Computing kpt #: 303 total cpu time spent up to now is 254.6 secs Computing kpt #: 304 total cpu time spent up to now is 255.3 secs Computing kpt #: 305 total cpu time spent up to now is 256.0 secs Computing kpt #: 306 total cpu time spent up to now is 256.6 secs Computing kpt #: 307 total cpu time spent up to now is 257.2 secs Computing kpt #: 308 total cpu time spent up to now is 257.9 secs Computing kpt #: 309 total cpu time spent up to now is 258.5 secs Computing kpt #: 310 total cpu time spent up to now is 259.2 secs Computing kpt #: 311 total cpu time spent up to now is 259.9 secs Computing kpt #: 312 total cpu time spent up to now is 260.5 secs Computing kpt #: 313 total cpu time spent up to now is 261.2 secs Computing kpt #: 314 total cpu time spent up to now is 261.8 secs Computing kpt #: 315 total cpu time spent up to now is 262.4 secs Computing kpt #: 316 total cpu time spent up to now is 263.0 secs Computing kpt #: 317 total cpu time spent up to now is 263.7 secs Computing kpt #: 318 total cpu time spent up to now is 264.3 secs ethr = 2.38E-08, avg # of iterations = 32.7 total cpu time spent up to now is 264.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3519 PWs) bands (ev): -26.9314 -26.9314 -9.7310 -9.7310 -8.6131 -8.6131 -8.5598 -8.5598 -1.6108 -1.6108 -0.9475 -0.9475 -0.6258 -0.6258 -0.4836 -0.4836 -0.4754 -0.4754 -0.0779 -0.0779 0.2312 0.2312 0.2507 0.2507 0.4044 0.4044 0.5144 0.5144 0.6788 0.6788 2.3083 2.3083 3.7156 3.7156 7.3057 7.3057 7.3898 7.3898 8.5025 8.5025 8.6446 8.6446 9.3568 9.3568 9.5544 9.5544 10.2918 10.2918 10.9512 10.9512 k = 0.0000 0.0000 0.0210 ( 3523 PWs) bands (ev): -26.9314 -26.9314 -9.7310 -9.7310 -8.6132 -8.6132 -8.5599 -8.5599 -1.6099 -1.6099 -0.9471 -0.9471 -0.6255 -0.6255 -0.4834 -0.4834 -0.4752 -0.4752 -0.0777 -0.0777 0.2310 0.2310 0.2505 0.2505 0.4043 0.4043 0.5139 0.5139 0.6782 0.6782 2.3087 2.3087 3.7160 3.7160 7.3002 7.3002 7.3847 7.3847 8.4914 8.4914 8.6317 8.6317 9.3724 9.3724 9.5673 9.5673 10.3020 10.3020 10.9533 10.9533 k = 0.0000 0.0000 0.0421 ( 3523 PWs) bands (ev): -26.9314 -26.9314 -9.7311 -9.7311 -8.6132 -8.6132 -8.5601 -8.5601 -1.6070 -1.6070 -0.9459 -0.9459 -0.6246 -0.6246 -0.4828 -0.4828 -0.4746 -0.4746 -0.0771 -0.0771 0.2306 0.2306 0.2500 0.2500 0.4040 0.4040 0.5127 0.5127 0.6763 0.6763 2.3101 2.3101 3.7171 3.7171 7.2817 7.2817 7.3720 7.3720 8.4593 8.4593 8.5953 8.5953 9.4163 9.4163 9.6050 9.6050 10.3317 10.3317 10.9596 10.9596 k = 0.0000 0.0000 0.0631 ( 3519 PWs) bands (ev): -26.9314 -26.9314 -9.7313 -9.7313 -8.6133 -8.6133 -8.5606 -8.5606 -1.6023 -1.6023 -0.9438 -0.9438 -0.6231 -0.6231 -0.4818 -0.4818 -0.4735 -0.4735 -0.0761 -0.0761 0.2299 0.2299 0.2493 0.2493 0.4034 0.4034 0.5106 0.5106 0.6732 0.6732 2.3124 2.3124 3.7190 3.7190 7.2468 7.2468 7.3569 7.3569 8.4100 8.4100 8.5406 8.5406 9.4822 9.4822 9.6659 9.6659 10.3781 10.3781 10.9700 10.9700 k = 0.0000 0.0000 0.0842 ( 3513 PWs) bands (ev): -26.9314 -26.9314 -9.7315 -9.7315 -8.6134 -8.6134 -8.5611 -8.5611 -1.5958 -1.5958 -0.9410 -0.9410 -0.6211 -0.6211 -0.4805 -0.4805 -0.4720 -0.4720 -0.0747 -0.0747 0.2288 0.2288 0.2485 0.2485 0.4026 0.4026 0.5078 0.5078 0.6690 0.6690 2.3155 2.3155 3.7216 3.7216 7.1952 7.1952 7.3425 7.3425 8.3480 8.3480 8.4727 8.4727 9.5640 9.5640 9.7470 9.7470 10.4375 10.4375 10.9846 10.9846 k = 0.0000 0.0000 0.1052 ( 3517 PWs) bands (ev): -26.9313 -26.9313 -9.7318 -9.7318 -8.6136 -8.6136 -8.5619 -8.5619 -1.5874 -1.5874 -0.9373 -0.9373 -0.6185 -0.6185 -0.4786 -0.4786 -0.4701 -0.4701 -0.0729 -0.0729 0.2272 0.2272 0.2476 0.2476 0.4016 0.4016 0.5043 0.5043 0.6636 0.6636 2.3194 2.3194 3.7249 3.7249 7.1299 7.1299 7.3284 7.3284 8.2772 8.2772 8.3958 8.3958 9.6573 9.6573 9.8456 9.8456 10.5057 10.5057 11.0032 11.0032 k = 0.0000 0.0000 0.1263 ( 3515 PWs) bands (ev): -26.9313 -26.9313 -9.7322 -9.7322 -8.6137 -8.6137 -8.5628 -8.5628 -1.5774 -1.5774 -0.9329 -0.9329 -0.6155 -0.6155 -0.4763 -0.4763 -0.4678 -0.4678 -0.0707 -0.0707 0.2251 0.2251 0.2468 0.2468 0.4003 0.4003 0.5001 0.5001 0.6571 0.6571 2.3240 2.3240 3.7288 3.7288 7.0546 7.0546 7.3137 7.3137 8.2007 8.2007 8.3128 8.3128 9.7590 9.7590 9.9589 9.9589 10.5791 10.5791 11.0257 11.0257 k = 0.0000 0.0000 0.1473 ( 3515 PWs) bands (ev): -26.9312 -26.9312 -9.7326 -9.7326 -8.6139 -8.6139 -8.5638 -8.5638 -1.5658 -1.5658 -0.9277 -0.9277 -0.6120 -0.6120 -0.4735 -0.4735 -0.4651 -0.4651 -0.0682 -0.0682 0.2225 0.2225 0.2461 0.2461 0.3988 0.3988 0.4953 0.4953 0.6495 0.6495 2.3293 2.3293 3.7332 3.7332 6.9722 6.9722 7.2981 7.2981 8.1204 8.1204 8.2265 8.2265 9.8672 9.8672 10.0844 10.0844 10.6543 10.6543 11.0521 11.0521 k = 0.0000 0.0000 0.1683 ( 3519 PWs) bands (ev): -26.9311 -26.9311 -9.7331 -9.7331 -8.6142 -8.6142 -8.5650 -8.5650 -1.5527 -1.5527 -0.9218 -0.9218 -0.6083 -0.6083 -0.4701 -0.4701 -0.4621 -0.4621 -0.0652 -0.0652 0.2194 0.2194 0.2456 0.2456 0.3970 0.3970 0.4899 0.4899 0.6410 0.6410 2.3351 2.3351 3.7381 3.7381 6.8850 6.8850 7.2812 7.2812 8.0379 8.0379 8.1388 8.1388 9.9806 9.9806 10.2202 10.2202 10.7284 10.7284 11.0822 11.0822 k = 0.0000 0.0000 0.1894 ( 3507 PWs) bands (ev): -26.9311 -26.9311 -9.7336 -9.7336 -8.6144 -8.6144 -8.5663 -8.5663 -1.5382 -1.5382 -0.9152 -0.9152 -0.6042 -0.6042 -0.4661 -0.4661 -0.4587 -0.4587 -0.0619 -0.0619 0.2161 0.2161 0.2453 0.2453 0.3949 0.3949 0.4842 0.4842 0.6316 0.6316 2.3414 2.3414 3.7433 3.7433 6.7947 6.7947 7.2631 7.2631 7.9540 7.9540 8.0513 8.0513 10.0984 10.0984 10.3644 10.3644 10.7991 10.7991 11.1160 11.1160 k = 0.0000 0.0000 0.2104 ( 3505 PWs) bands (ev): -26.9310 -26.9310 -9.7342 -9.7342 -8.6147 -8.6147 -8.5677 -8.5677 -1.5226 -1.5226 -0.9079 -0.9079 -0.5999 -0.5999 -0.4617 -0.4617 -0.4548 -0.4548 -0.0583 -0.0583 0.2125 0.2125 0.2451 0.2451 0.3925 0.3925 0.4781 0.4781 0.6215 0.6215 2.3480 2.3480 3.7488 3.7488 6.7027 6.7027 7.2440 7.2440 7.8697 7.8697 7.9652 7.9652 10.2198 10.2198 10.5157 10.5157 10.8648 10.8648 11.1531 11.1531 k = 0.0000 0.0000 0.2315 ( 3503 PWs) bands (ev): -26.9309 -26.9309 -9.7348 -9.7348 -8.6150 -8.6150 -8.5692 -8.5692 -1.5058 -1.5058 -0.9000 -0.9000 -0.5955 -0.5955 -0.4569 -0.4569 -0.4504 -0.4504 -0.0543 -0.0543 0.2090 0.2090 0.2450 0.2450 0.3897 0.3897 0.4718 0.4718 0.6106 0.6106 2.3549 2.3549 3.7544 3.7544 6.6100 6.6100 7.2239 7.2239 7.7857 7.7857 7.8810 7.8810 10.3445 10.3445 10.6728 10.6728 10.9244 10.9244 11.1935 11.1935 k = 0.0000 0.0000 0.2525 ( 3495 PWs) bands (ev): -26.9308 -26.9308 -9.7355 -9.7355 -8.6154 -8.6154 -8.5709 -8.5709 -1.4882 -1.4882 -0.8915 -0.8915 -0.5911 -0.5911 -0.4520 -0.4520 -0.4450 -0.4450 -0.0500 -0.0500 0.2057 0.2057 0.2449 0.2449 0.3865 0.3865 0.4654 0.4654 0.5993 0.5993 2.3619 2.3619 3.7601 3.7601 6.5174 6.5174 7.2030 7.2030 7.7029 7.7029 7.7991 7.7991 10.4719 10.4719 10.8344 10.8344 10.9774 10.9774 11.2368 11.2368 k = 0.0000 0.0000 0.2735 ( 3499 PWs) bands (ev): -26.9307 -26.9307 -9.7362 -9.7362 -8.6157 -8.6157 -8.5726 -8.5726 -1.4700 -1.4700 -0.8825 -0.8825 -0.5867 -0.5867 -0.4473 -0.4473 -0.4383 -0.4383 -0.0454 -0.0454 0.2026 0.2026 0.2448 0.2448 0.3828 0.3828 0.4589 0.4589 0.5876 0.5876 2.3689 2.3689 3.7657 3.7657 6.4256 6.4256 7.1816 7.1816 7.6220 7.6220 7.7196 7.7196 10.6019 10.6019 10.9946 10.9946 11.0283 11.0283 11.2829 11.2829 k = 0.0000 0.0000 0.2946 ( 3494 PWs) bands (ev): -26.9306 -26.9306 -9.7370 -9.7370 -8.6161 -8.6161 -8.5744 -8.5744 -1.4512 -1.4512 -0.8731 -0.8731 -0.5823 -0.5823 -0.4430 -0.4430 -0.4304 -0.4304 -0.0407 -0.0407 0.2002 0.2002 0.2447 0.2447 0.3785 0.3785 0.4526 0.4526 0.5757 0.5757 2.3757 2.3757 3.7712 3.7712 6.3351 6.3351 7.1599 7.1599 7.5438 7.5438 7.6426 7.6426 10.7340 10.7340 11.0576 11.0576 11.1720 11.1720 11.3315 11.3315 k = 0.0000 0.0000 0.3156 ( 3484 PWs) bands (ev): -26.9305 -26.9305 -9.7378 -9.7378 -8.6164 -8.6164 -8.5763 -8.5763 -1.4321 -1.4321 -0.8632 -0.8632 -0.5781 -0.5781 -0.4388 -0.4388 -0.4213 -0.4213 -0.0357 -0.0357 0.1984 0.1984 0.2445 0.2445 0.3736 0.3736 0.4465 0.4465 0.5638 0.5638 2.3824 2.3824 3.7764 3.7764 6.2461 6.2461 7.1380 7.1380 7.4689 7.4689 7.5679 7.5679 10.8679 10.8679 11.0898 11.0899 11.3413 11.3413 11.3825 11.3825 k = 0.0000 0.0000 0.3367 ( 3488 PWs) bands (ev): -26.9304 -26.9304 -9.7386 -9.7386 -8.6168 -8.6168 -8.5782 -8.5782 -1.4130 -1.4130 -0.8531 -0.8531 -0.5741 -0.5741 -0.4349 -0.4349 -0.4110 -0.4110 -0.0306 -0.0306 0.1975 0.1975 0.2442 0.2442 0.3681 0.3681 0.4408 0.4408 0.5521 0.5521 2.3887 2.3887 3.7814 3.7814 6.1592 6.1592 7.1163 7.1163 7.3977 7.3977 7.4955 7.4955 11.0018 11.0018 11.1165 11.1165 11.4339 11.4339 11.5133 11.5133 k = 0.0000 0.0000 0.3577 ( 3492 PWs) bands (ev): -26.9303 -26.9303 -9.7395 -9.7395 -8.6172 -8.6172 -8.5802 -8.5802 -1.3941 -1.3941 -0.8428 -0.8428 -0.5703 -0.5703 -0.4313 -0.4313 -0.3997 -0.3997 -0.0255 -0.0255 0.1976 0.1976 0.2438 0.2438 0.3618 0.3618 0.4356 0.4356 0.5408 0.5408 2.3945 2.3945 3.7861 3.7861 6.0744 6.0744 7.0950 7.0950 7.3305 7.3305 7.4253 7.4253 11.1116 11.1116 11.1623 11.1623 11.4871 11.4871 11.6839 11.6839 k = 0.0000 0.0000 0.3788 ( 3496 PWs) bands (ev): -26.9301 -26.9301 -9.7403 -9.7403 -8.6176 -8.6176 -8.5822 -8.5822 -1.3755 -1.3755 -0.8323 -0.8323 -0.5666 -0.5666 -0.4279 -0.4279 -0.3874 -0.3874 -0.0203 -0.0203 0.1988 0.1988 0.2434 0.2434 0.3549 0.3549 0.4309 0.4309 0.5300 0.5300 2.3998 2.3998 3.7903 3.7903 5.9919 5.9919 7.0742 7.0742 7.2675 7.2675 7.3575 7.3575 11.1363 11.1363 11.2888 11.2888 11.5395 11.5395 11.8526 11.8526 k = 0.0000 0.0000 0.3998 ( 3488 PWs) bands (ev): -26.9300 -26.9300 -9.7412 -9.7412 -8.6180 -8.6180 -8.5843 -8.5843 -1.3575 -1.3575 -0.8218 -0.8218 -0.5632 -0.5632 -0.4249 -0.4249 -0.3740 -0.3740 -0.0150 -0.0150 0.2010 0.2010 0.2432 0.2432 0.3475 0.3475 0.4268 0.4268 0.5200 0.5200 2.4044 2.4044 3.7943 3.7943 5.9120 5.9120 7.0543 7.0543 7.2087 7.2087 7.2920 7.2920 11.1442 11.1442 11.4277 11.4277 11.5886 11.5886 12.0167 12.0167 k = 0.0000 0.0000 0.4208 ( 3486 PWs) bands (ev): -26.9299 -26.9299 -9.7421 -9.7421 -8.6184 -8.6184 -8.5864 -8.5864 -1.3402 -1.3402 -0.8114 -0.8114 -0.5599 -0.5599 -0.4222 -0.4222 -0.3597 -0.3597 -0.0097 -0.0097 0.2040 0.2040 0.2432 0.2432 0.3395 0.3395 0.4232 0.4232 0.5110 0.5110 2.4084 2.4084 3.7980 3.7980 5.8347 5.8347 7.0353 7.0353 7.1539 7.1539 7.2289 7.2289 11.1458 11.1458 11.5679 11.5679 11.6288 11.6288 12.0944 12.0944 k = 0.0000 0.0000 0.4419 ( 3490 PWs) bands (ev): -26.9297 -26.9297 -9.7430 -9.7430 -8.6188 -8.6188 -8.5884 -8.5884 -1.3238 -1.3238 -0.8012 -0.8012 -0.5569 -0.5569 -0.4200 -0.4200 -0.3447 -0.3447 -0.0045 -0.0045 0.2074 0.2074 0.2441 0.2441 0.3312 0.3312 0.4203 0.4203 0.5030 0.5030 2.4115 2.4115 3.8015 3.8015 5.7602 5.7602 7.0173 7.0173 7.1027 7.1027 7.1686 7.1686 11.1424 11.1424 11.6439 11.6439 11.7119 11.7119 11.9182 11.9182 k = 0.0000 0.0000 0.4629 ( 3486 PWs) bands (ev): -26.9296 -26.9296 -9.7439 -9.7439 -8.6192 -8.6192 -8.5905 -8.5905 -1.3085 -1.3085 -0.7914 -0.7914 -0.5540 -0.5540 -0.4183 -0.4183 -0.3289 -0.3289 0.0008 0.0008 0.2103 0.2103 0.2465 0.2465 0.3229 0.3229 0.4179 0.4179 0.4963 0.4963 2.4137 2.4137 3.8050 3.8050 5.6884 5.6884 7.0003 7.0003 7.0546 7.0546 7.1115 7.1115 11.1342 11.1342 11.6190 11.6190 11.7471 11.7471 11.8542 11.8542 k = 0.0000 0.0000 0.4840 ( 3490 PWs) bands (ev): -26.9295 -26.9295 -9.7448 -9.7448 -8.6195 -8.6195 -8.5926 -8.5926 -1.2944 -1.2944 -0.7821 -0.7821 -0.5512 -0.5512 -0.4171 -0.4171 -0.3126 -0.3126 0.0060 0.0060 0.2119 0.2119 0.2513 0.2513 0.3149 0.3149 0.4161 0.4161 0.4909 0.4909 2.4150 2.4150 3.8087 3.8087 5.6193 5.6193 6.9825 6.9825 7.0105 7.0105 7.0583 7.0583 11.1206 11.1206 11.5343 11.5343 11.5942 11.5942 11.9933 11.9933 k = 0.0000 0.0000 0.5050 ( 3484 PWs) bands (ev): -26.9293 -26.9293 -9.7457 -9.7457 -8.6199 -8.6199 -8.5946 -8.5946 -1.2815 -1.2815 -0.7734 -0.7734 -0.5486 -0.5486 -0.4165 -0.4165 -0.2958 -0.2958 0.0113 0.0113 0.2118 0.2118 0.2584 0.2584 0.3074 0.3074 0.4148 0.4148 0.4869 0.4869 2.4153 2.4153 3.8128 3.8128 5.5532 5.5532 6.9521 6.9521 6.9806 6.9806 7.0102 7.0102 11.0994 11.0994 11.4022 11.4022 11.4636 11.4636 12.1181 12.1181 k = 0.0000 0.0000 0.5261 ( 3490 PWs) bands (ev): -26.9292 -26.9292 -9.7466 -9.7466 -8.6202 -8.6202 -8.5966 -8.5966 -1.2699 -1.2699 -0.7654 -0.7654 -0.5461 -0.5461 -0.4164 -0.4164 -0.2789 -0.2789 0.0166 0.0166 0.2103 0.2103 0.2669 0.2669 0.3014 0.3014 0.4141 0.4141 0.4844 0.4844 2.4146 2.4146 3.8175 3.8175 5.4899 5.4899 6.9075 6.9075 6.9609 6.9609 6.9721 6.9721 11.0635 11.0635 11.2689 11.2689 11.3363 11.3363 12.1969 12.1969 k = 0.0000 0.0000 0.5471 ( 3486 PWs) bands (ev): -26.9291 -26.9291 -9.7475 -9.7475 -8.6206 -8.6206 -8.5986 -8.5986 -1.2596 -1.2596 -0.7581 -0.7581 -0.5437 -0.5437 -0.4170 -0.4170 -0.2618 -0.2618 0.0219 0.0219 0.2079 0.2079 0.2737 0.2737 0.2993 0.2993 0.4139 0.4139 0.4836 0.4836 2.4130 2.4130 3.8231 3.8231 5.4294 5.4294 6.8603 6.8603 6.9243 6.9243 6.9592 6.9592 10.9957 10.9957 11.1582 11.1582 11.2170 11.2170 12.2711 12.2711 k = 0.0000 0.0000 0.5681 ( 3492 PWs) bands (ev): -26.9289 -26.9289 -9.7483 -9.7483 -8.6209 -8.6209 -8.6005 -8.6005 -1.2506 -1.2506 -0.7518 -0.7518 -0.5414 -0.5414 -0.4181 -0.4181 -0.2448 -0.2448 0.0273 0.0273 0.2050 0.2050 0.2746 0.2746 0.3050 0.3050 0.4142 0.4142 0.4845 0.4845 2.4103 2.4103 3.8301 3.8301 5.3717 5.3717 6.8130 6.8130 6.8867 6.8867 6.9520 6.9520 10.8921 10.8921 11.0427 11.0427 11.1434 11.1434 12.3511 12.3511 k = 0.0000 0.0000 0.5892 ( 3486 PWs) bands (ev): -26.9288 -26.9288 -9.7492 -9.7492 -8.6212 -8.6212 -8.6024 -8.6024 -1.2429 -1.2429 -0.7464 -0.7464 -0.5392 -0.5392 -0.4199 -0.4199 -0.2281 -0.2281 0.0328 0.0328 0.2019 0.2019 0.2713 0.2713 0.3162 0.3162 0.4151 0.4151 0.4873 0.4873 2.4066 2.4066 3.8387 3.8387 5.3169 5.3169 6.7666 6.7666 6.8494 6.8494 6.9476 6.9476 10.7767 10.7767 10.9118 10.9118 11.1057 11.1057 12.4363 12.4363 k = 0.0000 0.0000 0.6102 ( 3490 PWs) bands (ev): -26.9287 -26.9287 -9.7500 -9.7500 -8.6215 -8.6215 -8.6042 -8.6042 -1.2365 -1.2365 -0.7419 -0.7419 -0.5371 -0.5371 -0.4224 -0.4224 -0.2117 -0.2117 0.0383 0.0383 0.1988 0.1988 0.2669 0.2669 0.3293 0.3293 0.4164 0.4164 0.4921 0.4921 2.4020 2.4020 3.8493 3.8493 5.2649 5.2649 6.7215 6.7215 6.8113 6.8113 6.9456 6.9456 10.6644 10.6644 10.7788 10.7788 11.0783 11.0783 12.5257 12.5257 k = 0.0000 0.0000 0.6313 ( 3490 PWs) bands (ev): -26.9285 -26.9285 -9.7508 -9.7508 -8.6218 -8.6218 -8.6060 -8.6060 -1.2312 -1.2312 -0.7384 -0.7384 -0.5351 -0.5351 -0.4256 -0.4256 -0.1958 -0.1958 0.0439 0.0439 0.1958 0.1958 0.2626 0.2626 0.3425 0.3425 0.4183 0.4183 0.4991 0.4991 2.3965 2.3965 3.8622 3.8622 5.2157 5.2157 6.6781 6.6781 6.7712 6.7712 6.9461 6.9461 10.5605 10.5605 10.6470 10.6470 11.0543 11.0543 12.6188 12.6188 k = 0.0000 0.0000 0.6523 ( 3490 PWs) bands (ev): -26.9284 -26.9284 -9.7515 -9.7515 -8.6220 -8.6220 -8.6076 -8.6076 -1.2269 -1.2269 -0.7357 -0.7357 -0.5332 -0.5332 -0.4293 -0.4293 -0.1804 -0.1804 0.0495 0.0495 0.1931 0.1931 0.2587 0.2587 0.3553 0.3553 0.4206 0.4206 0.5084 0.5084 2.3902 2.3902 3.8778 3.8778 5.1693 5.1693 6.6365 6.6365 6.7282 6.7282 6.9491 6.9491 10.4670 10.4670 10.5183 10.5183 11.0318 11.0318 12.7151 12.7151 k = 0.0000 0.0000 0.6733 ( 3490 PWs) bands (ev): -26.9283 -26.9283 -9.7523 -9.7523 -8.6222 -8.6222 -8.6093 -8.6093 -1.2236 -1.2236 -0.7340 -0.7340 -0.5313 -0.5313 -0.4338 -0.4338 -0.1656 -0.1656 0.0551 0.0551 0.1907 0.1907 0.2553 0.2553 0.3671 0.3671 0.4233 0.4233 0.5199 0.5199 2.3831 2.3831 3.8965 3.8965 5.1256 5.1256 6.5967 6.5967 6.6812 6.6812 6.9544 6.9544 10.3784 10.3784 10.4001 10.4001 11.0099 11.0099 12.8143 12.8143 k = 0.0000 0.0000 0.6944 ( 3490 PWs) bands (ev): -26.9282 -26.9282 -9.7530 -9.7530 -8.6224 -8.6224 -8.6108 -8.6108 -1.2212 -1.2212 -0.7329 -0.7329 -0.5296 -0.5296 -0.4388 -0.4388 -0.1514 -0.1514 0.0606 0.0606 0.1885 0.1885 0.2525 0.2525 0.3778 0.3778 0.4263 0.4263 0.5334 0.5334 2.3753 2.3753 3.9184 3.9184 5.0846 5.0846 6.5589 6.5589 6.6298 6.6298 6.9621 6.9621 10.2639 10.2639 10.3244 10.3244 10.9884 10.9884 12.9159 12.9159 k = 0.0000 0.0000 0.7154 ( 3478 PWs) bands (ev): -26.9280 -26.9280 -9.7536 -9.7536 -8.6226 -8.6226 -8.6123 -8.6123 -1.2196 -1.2196 -0.7326 -0.7326 -0.5279 -0.5279 -0.4444 -0.4444 -0.1378 -0.1378 0.0661 0.0661 0.1867 0.1867 0.2502 0.2502 0.3873 0.3873 0.4297 0.4297 0.5486 0.5486 2.3670 2.3670 3.9439 3.9439 5.0463 5.0463 6.5229 6.5229 6.5736 6.5736 6.9720 6.9720 10.1456 10.1456 10.2699 10.2699 10.9671 10.9671 13.0184 13.0184 k = 0.0000 0.0000 0.7365 ( 3476 PWs) bands (ev): -26.9279 -26.9279 -9.7543 -9.7543 -8.6228 -8.6228 -8.6136 -8.6136 -1.2187 -1.2187 -0.7328 -0.7328 -0.5264 -0.5264 -0.4505 -0.4505 -0.1249 -0.1249 0.0714 0.0714 0.1853 0.1853 0.2484 0.2484 0.3959 0.3959 0.4332 0.4332 0.5650 0.5650 2.3583 2.3583 3.9732 3.9732 5.0106 5.0106 6.4878 6.4878 6.5132 6.5132 6.9840 6.9840 10.0309 10.0309 10.2297 10.2297 10.9461 10.9461 13.1027 13.1027 k = 0.0000 0.0000 0.7575 ( 3476 PWs) bands (ev): -26.9278 -26.9278 -9.7548 -9.7548 -8.6230 -8.6230 -8.6149 -8.6149 -1.2183 -1.2183 -0.7336 -0.7336 -0.5250 -0.5250 -0.4569 -0.4569 -0.1126 -0.1126 0.0764 0.0764 0.1842 0.1842 0.2469 0.2469 0.4037 0.4037 0.4368 0.4368 0.5819 0.5819 2.3492 2.3492 4.0063 4.0063 4.9775 4.9775 6.4399 6.4399 6.4626 6.4626 6.9980 6.9980 9.9206 9.9206 10.2029 10.2029 10.9252 10.9252 13.1173 13.1173 k = 0.0000 0.0000 0.7786 ( 3480 PWs) bands (ev): -26.9277 -26.9277 -9.7554 -9.7554 -8.6231 -8.6231 -8.6161 -8.6161 -1.2184 -1.2184 -0.7347 -0.7347 -0.5237 -0.5237 -0.4635 -0.4635 -0.1010 -0.1010 0.0811 0.0811 0.1836 0.1836 0.2457 0.2457 0.4109 0.4109 0.4405 0.4405 0.5990 0.5990 2.3400 2.3400 4.0432 4.0432 4.9470 4.9470 6.3702 6.3702 6.4311 6.4311 7.0136 7.0136 9.8152 9.8152 10.1889 10.1889 10.9044 10.9044 13.1184 13.1184 k = 0.0000 0.0000 0.7996 ( 3482 PWs) bands (ev): -26.9276 -26.9276 -9.7559 -9.7559 -8.6232 -8.6232 -8.6173 -8.6173 -1.2188 -1.2188 -0.7361 -0.7361 -0.5225 -0.5225 -0.4702 -0.4702 -0.0901 -0.0901 0.0853 0.0853 0.1834 0.1834 0.2447 0.2447 0.4175 0.4175 0.4441 0.4441 0.6158 0.6158 2.3308 2.3308 4.0840 4.0840 4.9191 4.9191 6.2944 6.2944 6.4036 6.4036 7.0307 7.0307 9.7152 9.7152 10.1868 10.1868 10.8836 10.8836 13.1172 13.1172 k = 0.0000 0.0000 0.8206 ( 3474 PWs) bands (ev): -26.9276 -26.9276 -9.7564 -9.7564 -8.6233 -8.6233 -8.6183 -8.6183 -1.2196 -1.2196 -0.7377 -0.7377 -0.5214 -0.5214 -0.4769 -0.4769 -0.0800 -0.0800 0.0891 0.0891 0.1838 0.1838 0.2439 0.2439 0.4238 0.4238 0.4476 0.4476 0.6319 0.6319 2.3217 2.3217 4.1283 4.1283 4.8937 4.8937 6.2149 6.2149 6.3786 6.3786 7.0489 7.0489 9.6211 9.6211 10.1956 10.1956 10.8626 10.8626 13.1149 13.1149 k = 0.0000 0.0000 0.8417 ( 3478 PWs) bands (ev): -26.9275 -26.9275 -9.7568 -9.7568 -8.6234 -8.6234 -8.6192 -8.6192 -1.2205 -1.2205 -0.7394 -0.7394 -0.5205 -0.5205 -0.4834 -0.4834 -0.0707 -0.0707 0.0923 0.0923 0.1847 0.1847 0.2430 0.2430 0.4296 0.4296 0.4510 0.4510 0.6471 0.6471 2.3128 2.3128 4.1758 4.1758 4.8708 4.8708 6.1328 6.1328 6.3559 6.3559 7.0677 7.0677 9.5332 9.5332 10.2140 10.2140 10.8414 10.8414 13.1121 13.1121 k = 0.0000 0.0000 0.8627 ( 3482 PWs) bands (ev): -26.9274 -26.9274 -9.7572 -9.7572 -8.6235 -8.6235 -8.6200 -8.6200 -1.2216 -1.2216 -0.7411 -0.7411 -0.5196 -0.5196 -0.4896 -0.4896 -0.0622 -0.0622 0.0949 0.0949 0.1861 0.1861 0.2422 0.2422 0.4351 0.4351 0.4541 0.4541 0.6610 0.6610 2.3044 2.3044 4.2260 4.2260 4.8503 4.8503 6.0496 6.0496 6.3356 6.3356 7.0869 7.0869 9.4522 9.4522 10.2407 10.2407 10.8196 10.8196 13.1091 13.1091 k = 0.0000 0.0000 0.8838 ( 3478 PWs) bands (ev): -26.9273 -26.9273 -9.7575 -9.7575 -8.6235 -8.6235 -8.6208 -8.6208 -1.2227 -1.2227 -0.7427 -0.7427 -0.5189 -0.5189 -0.4954 -0.4954 -0.0547 -0.0547 0.0970 0.0970 0.1879 0.1879 0.2412 0.2412 0.4403 0.4403 0.4569 0.4569 0.6736 0.6736 2.2966 2.2966 4.2780 4.2780 4.8323 4.8323 5.9666 5.9666 6.3177 6.3177 7.1057 7.1057 9.3786 9.3786 10.2741 10.2741 10.7970 10.7970 13.1060 13.1060 k = 0.0000 0.0000 0.9048 ( 3476 PWs) bands (ev): -26.9273 -26.9273 -9.7578 -9.7578 -8.6236 -8.6236 -8.6214 -8.6214 -1.2238 -1.2238 -0.7443 -0.7443 -0.5182 -0.5182 -0.5006 -0.5006 -0.0480 -0.0480 0.0986 0.0986 0.1902 0.1902 0.2402 0.2402 0.4450 0.4450 0.4593 0.4593 0.6847 0.6847 2.2895 2.2895 4.3308 4.3308 4.8167 4.8167 5.8857 5.8857 6.3021 6.3021 7.1238 7.1238 9.3131 9.3131 10.3127 10.3127 10.7733 10.7733 13.1031 13.1031 k = 0.0000 0.0000 0.9259 ( 3486 PWs) bands (ev): -26.9272 -26.9272 -9.7581 -9.7581 -8.6237 -8.6237 -8.6219 -8.6219 -1.2248 -1.2248 -0.7457 -0.7457 -0.5177 -0.5177 -0.5052 -0.5052 -0.0423 -0.0423 0.0998 0.0998 0.1926 0.1926 0.2391 0.2391 0.4493 0.4493 0.4612 0.4612 0.6942 0.6942 2.2833 2.2833 4.3827 4.3827 4.8035 4.8035 5.8089 5.8089 6.2888 6.2888 7.1405 7.1405 9.2561 9.2561 10.3549 10.3549 10.7481 10.7481 13.1004 13.1004 k = 0.0000 0.0000 0.9469 ( 3482 PWs) bands (ev): -26.9272 -26.9272 -9.7583 -9.7583 -8.6237 -8.6237 -8.6224 -8.6224 -1.2257 -1.2257 -0.7469 -0.7469 -0.5173 -0.5173 -0.5091 -0.5091 -0.0376 -0.0376 0.1006 0.1006 0.1950 0.1950 0.2379 0.2379 0.4531 0.4531 0.4627 0.4627 0.7020 0.7020 2.2780 2.2780 4.4318 4.4318 4.7927 4.7927 5.7389 5.7389 6.2780 6.2780 7.1553 7.1553 9.2084 9.2084 10.3991 10.3991 10.7212 10.7212 13.0980 13.0980 k = 0.0000 0.0000 0.9679 ( 3478 PWs) bands (ev): -26.9272 -26.9272 -9.7584 -9.7584 -8.6237 -8.6237 -8.6227 -8.6227 -1.2265 -1.2265 -0.7479 -0.7479 -0.5171 -0.5171 -0.5121 -0.5121 -0.0339 -0.0339 0.1011 0.1011 0.1973 0.1973 0.2368 0.2368 0.4563 0.4563 0.4636 0.4636 0.7081 0.7081 2.2738 2.2738 4.4754 4.4754 4.7842 4.7842 5.6787 5.6787 6.2695 6.2695 7.1675 7.1675 9.1705 9.1705 10.4436 10.4436 10.6923 10.6923 13.0960 13.0960 k = 0.0000 0.0000 0.9890 ( 3484 PWs) bands (ev): -26.9271 -26.9271 -9.7585 -9.7585 -8.6238 -8.6238 -8.6229 -8.6229 -1.2270 -1.2270 -0.7486 -0.7486 -0.5170 -0.5170 -0.5141 -0.5141 -0.0313 -0.0313 0.1015 0.1015 0.1991 0.1991 0.2359 0.2359 0.4589 0.4589 0.4640 0.4640 0.7125 0.7125 2.2708 2.2708 4.5103 4.5103 4.7781 4.7781 5.6317 5.6317 6.2635 6.2635 7.1766 7.1766 9.1431 9.1431 10.4866 10.4866 10.6618 10.6618 13.0945 13.0945 k = 0.0000 0.0000 1.0100 ( 3492 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6238 -8.6238 -8.6231 -8.6231 -1.2274 -1.2274 -0.7490 -0.7490 -0.5173 -0.5173 -0.5151 -0.5151 -0.0297 -0.0297 0.1016 0.1016 0.2004 0.2004 0.2352 0.2352 0.4609 0.4609 0.4639 0.4639 0.7151 0.7151 2.2689 2.2689 4.5330 4.5330 4.7744 4.7744 5.6017 5.6017 6.2599 6.2599 7.1822 7.1822 9.1264 9.1264 10.5245 10.5245 10.6320 10.6320 13.0936 13.0936 k = 0.0000 0.0000 1.0311 ( 3500 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6238 -8.6238 -8.6231 -8.6231 -1.2275 -1.2275 -0.7492 -0.7492 -0.5175 -0.5175 -0.5154 -0.5154 -0.0292 -0.0292 0.1017 0.1017 0.2008 0.2008 0.2350 0.2350 0.4618 0.4618 0.4636 0.4636 0.7160 0.7160 2.2683 2.2683 4.5410 4.5410 4.7732 4.7732 5.5913 5.5913 6.2587 6.2587 7.1842 7.1842 9.1208 9.1208 10.5440 10.5440 10.6153 10.6153 13.0932 13.0932 k = 0.0000 0.0000 1.0311 ( 3500 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6238 -8.6238 -8.6231 -8.6231 -1.2275 -1.2275 -0.7492 -0.7492 -0.5175 -0.5175 -0.5154 -0.5154 -0.0292 -0.0292 0.1017 0.1017 0.2008 0.2008 0.2350 0.2350 0.4618 0.4618 0.4636 0.4636 0.7160 0.7160 2.2683 2.2683 4.5410 4.5410 4.7732 4.7732 5.5913 5.5913 6.2587 6.2587 7.1842 7.1842 9.1208 9.1208 10.5440 10.5440 10.6153 10.6153 13.0932 13.0932 k =-0.0096 0.0173 1.0311 ( 3490 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6238 -8.6238 -8.6231 -8.6231 -1.2273 -1.2273 -0.7491 -0.7491 -0.5176 -0.5176 -0.5148 -0.5148 -0.0298 -0.0298 0.1018 0.1018 0.2007 0.2007 0.2351 0.2351 0.4614 0.4614 0.4635 0.4635 0.7165 0.7165 2.2633 2.2633 4.5419 4.5419 4.7794 4.7794 5.5902 5.5902 6.2594 6.2594 7.1858 7.1858 9.1212 9.1212 10.5468 10.5468 10.6154 10.6154 13.0965 13.0965 k =-0.0192 0.0347 1.0311 ( 3478 PWs) bands (ev): -26.9271 -26.9271 -9.7585 -9.7585 -8.6238 -8.6238 -8.6229 -8.6229 -1.2269 -1.2269 -0.7488 -0.7488 -0.5180 -0.5180 -0.5135 -0.5135 -0.0314 -0.0314 0.1022 0.1022 0.2003 0.2003 0.2355 0.2355 0.4604 0.4604 0.4633 0.4633 0.7178 0.7178 2.2485 2.2485 4.5446 4.5446 4.7978 4.7978 5.5871 5.5871 6.2616 6.2616 7.1908 7.1908 9.1225 9.1225 10.5551 10.5551 10.6159 10.6159 13.1061 13.1061 k =-0.0288 0.0520 1.0311 ( 3474 PWs) bands (ev): -26.9272 -26.9272 -9.7585 -9.7585 -8.6238 -8.6238 -8.6227 -8.6227 -1.2262 -1.2262 -0.7484 -0.7484 -0.5183 -0.5183 -0.5115 -0.5115 -0.0341 -0.0341 0.1028 0.1028 0.1997 0.1997 0.2360 0.2360 0.4589 0.4589 0.4628 0.4628 0.7199 0.7199 2.2245 2.2245 4.5492 4.5492 4.8279 4.8279 5.5818 5.5818 6.2654 6.2654 7.1990 7.1990 9.1247 9.1247 10.5685 10.5685 10.6168 10.6168 13.1218 13.1218 k =-0.0384 0.0693 1.0311 ( 3468 PWs) bands (ev): -26.9272 -26.9272 -9.7583 -9.7583 -8.6238 -8.6238 -8.6224 -8.6224 -1.2252 -1.2252 -0.7479 -0.7479 -0.5186 -0.5186 -0.5089 -0.5089 -0.0377 -0.0377 0.1036 0.1036 0.1989 0.1989 0.2368 0.2368 0.4570 0.4570 0.4620 0.4620 0.7228 0.7228 2.1918 2.1918 4.5555 4.5555 4.8690 4.8690 5.5743 5.5743 6.2711 6.2711 7.2106 7.2106 9.1279 9.1279 10.5863 10.5863 10.6180 10.6180 13.1412 13.1412 k =-0.0480 0.0866 1.0311 ( 3468 PWs) bands (ev): -26.9272 -26.9272 -9.7581 -9.7581 -8.6238 -8.6238 -8.6220 -8.6220 -1.2240 -1.2240 -0.7471 -0.7471 -0.5190 -0.5190 -0.5057 -0.5057 -0.0423 -0.0423 0.1045 0.1045 0.1980 0.1980 0.2376 0.2376 0.4546 0.4546 0.4608 0.4608 0.7265 0.7265 2.1514 2.1514 4.5638 4.5638 4.9202 4.9202 5.5647 5.5647 6.2790 6.2790 7.2254 7.2254 9.1322 9.1322 10.6072 10.6072 10.6201 10.6201 13.1389 13.1389 k =-0.0577 0.1040 1.0311 ( 3470 PWs) bands (ev): -26.9273 -26.9273 -9.7579 -9.7579 -8.6238 -8.6238 -8.6215 -8.6215 -1.2225 -1.2225 -0.7463 -0.7463 -0.5195 -0.5195 -0.5019 -0.5019 -0.0476 -0.0476 0.1056 0.1056 0.1969 0.1969 0.2385 0.2385 0.4520 0.4520 0.4594 0.4594 0.7306 0.7306 2.1043 2.1043 4.5738 4.5738 4.9803 4.9803 5.5530 5.5530 6.2894 6.2894 7.2435 7.2435 9.1377 9.1377 10.6205 10.6205 10.6328 10.6328 13.1073 13.1073 k =-0.0673 0.1213 1.0311 ( 3474 PWs) bands (ev): -26.9273 -26.9273 -9.7577 -9.7577 -8.6239 -8.6239 -8.6209 -8.6209 -1.2209 -1.2209 -0.7452 -0.7452 -0.5199 -0.5199 -0.4976 -0.4976 -0.0536 -0.0536 0.1068 0.1068 0.1959 0.1959 0.2395 0.2395 0.4490 0.4490 0.4577 0.4577 0.7352 0.7352 2.0515 2.0515 4.5858 4.5858 5.0483 5.0483 5.5394 5.5394 6.3025 6.3025 7.2648 7.2648 9.1447 9.1447 10.6235 10.6235 10.6573 10.6573 13.0731 13.0731 k =-0.0769 0.1386 1.0311 ( 3474 PWs) bands (ev): -26.9274 -26.9274 -9.7574 -9.7574 -8.6239 -8.6239 -8.6202 -8.6202 -1.2192 -1.2192 -0.7440 -0.7440 -0.5205 -0.5205 -0.4930 -0.4930 -0.0601 -0.0601 0.1080 0.1080 0.1949 0.1949 0.2404 0.2404 0.4457 0.4457 0.4558 0.4558 0.7401 0.7401 1.9939 1.9939 4.5996 4.5996 5.1232 5.1232 5.5241 5.5241 6.3187 6.3187 7.2892 7.2892 9.1532 9.1532 10.6266 10.6266 10.6819 10.6819 13.0416 13.0416 k =-0.0769 0.1386 1.0311 ( 3474 PWs) bands (ev): -26.9274 -26.9274 -9.7574 -9.7574 -8.6239 -8.6239 -8.6202 -8.6202 -1.2192 -1.2192 -0.7440 -0.7440 -0.5205 -0.5205 -0.4930 -0.4930 -0.0601 -0.0601 0.1080 0.1080 0.1949 0.1949 0.2404 0.2404 0.4457 0.4457 0.4558 0.4558 0.7401 0.7401 1.9939 1.9939 4.5996 4.5996 5.1232 5.1232 5.5241 5.5241 6.3187 6.3187 7.2892 7.2892 9.1532 9.1532 10.6266 10.6266 10.6819 10.6819 13.0416 13.0416 k =-0.0839 0.1513 1.0165 ( 3484 PWs) bands (ev): -26.9274 -26.9274 -9.7572 -9.7572 -8.6240 -8.6240 -8.6196 -8.6196 -1.2178 -1.2178 -0.7429 -0.7429 -0.5207 -0.5207 -0.4893 -0.4893 -0.0654 -0.0654 0.1087 0.1087 0.1940 0.1940 0.2412 0.2412 0.4430 0.4430 0.4541 0.4541 0.7434 0.7434 1.9496 1.9496 4.6060 4.6060 5.1821 5.1821 5.5181 5.5181 6.3329 6.3329 7.3087 7.3087 9.1632 9.1632 10.6217 10.6217 10.7048 10.7048 13.0243 13.0243 k =-0.0910 0.1641 1.0020 ( 3480 PWs) bands (ev): -26.9275 -26.9275 -9.7569 -9.7569 -8.6242 -8.6242 -8.6187 -8.6187 -1.2163 -1.2163 -0.7416 -0.7416 -0.5206 -0.5206 -0.4855 -0.4855 -0.0712 -0.0712 0.1092 0.1092 0.1929 0.1929 0.2422 0.2422 0.4397 0.4397 0.4522 0.4522 0.7461 0.7461 1.9045 1.9045 4.6032 4.6032 5.2439 5.2439 5.5242 5.5242 6.3495 6.3495 7.3291 7.3291 9.1791 9.1791 10.6102 10.6102 10.7296 10.7296 13.0154 13.0154 k =-0.0980 0.1768 0.9874 ( 3478 PWs) bands (ev): -26.9275 -26.9275 -9.7566 -9.7566 -8.6246 -8.6246 -8.6175 -8.6175 -1.2146 -1.2146 -0.7401 -0.7401 -0.5200 -0.5200 -0.4815 -0.4815 -0.0774 -0.0774 0.1093 0.1093 0.1917 0.1917 0.2432 0.2432 0.4359 0.4359 0.4500 0.4500 0.7482 0.7482 1.8591 1.8591 4.5911 4.5911 5.3077 5.3077 5.5425 5.5425 6.3683 6.3683 7.3509 7.3509 9.2008 9.2008 10.5967 10.5967 10.7512 10.7512 13.0150 13.0150 k =-0.1051 0.1895 0.9729 ( 3476 PWs) bands (ev): -26.9276 -26.9276 -9.7562 -9.7562 -8.6251 -8.6251 -8.6162 -8.6162 -1.2128 -1.2128 -0.7383 -0.7383 -0.5191 -0.5191 -0.4775 -0.4775 -0.0839 -0.0839 0.1090 0.1090 0.1904 0.1904 0.2444 0.2444 0.4317 0.4317 0.4475 0.4475 0.7496 0.7496 1.8136 1.8136 4.5705 4.5705 5.3728 5.3728 5.5723 5.5723 6.3892 6.3892 7.3749 7.3749 9.2282 9.2282 10.5824 10.5824 10.7681 10.7681 13.0226 13.0226 k =-0.1121 0.2022 0.9584 ( 3483 PWs) bands (ev): -26.9277 -26.9277 -9.7559 -9.7559 -8.6256 -8.6256 -8.6148 -8.6148 -1.2109 -1.2109 -0.7364 -0.7364 -0.5177 -0.5177 -0.4733 -0.4733 -0.0906 -0.0906 0.1082 0.1082 0.1892 0.1892 0.2456 0.2456 0.4270 0.4270 0.4447 0.4447 0.7504 0.7504 1.7685 1.7685 4.5427 4.5427 5.4382 5.4382 5.6125 5.6125 6.4120 6.4120 7.4017 7.4017 9.2609 9.2609 10.5674 10.5674 10.7799 10.7799 13.0364 13.0364 k =-0.1192 0.2149 0.9438 ( 3490 PWs) bands (ev): -26.9277 -26.9277 -9.7555 -9.7555 -8.6262 -8.6262 -8.6132 -8.6132 -1.2089 -1.2089 -0.7343 -0.7343 -0.5160 -0.5160 -0.4692 -0.4692 -0.0974 -0.0974 0.1067 0.1067 0.1882 0.1882 0.2468 0.2468 0.4219 0.4219 0.4415 0.4415 0.7507 0.7507 1.7239 1.7239 4.5090 4.5090 5.5032 5.5032 5.6616 5.6616 6.4365 6.4365 7.4321 7.4321 9.2988 9.2988 10.5519 10.5519 10.7867 10.7867 13.0523 13.0523 k =-0.1262 0.2277 0.9293 ( 3485 PWs) bands (ev): -26.9278 -26.9278 -9.7551 -9.7551 -8.6269 -8.6269 -8.6115 -8.6115 -1.2068 -1.2068 -0.7320 -0.7320 -0.5139 -0.5139 -0.4651 -0.4651 -0.1044 -0.1044 0.1047 0.1047 0.1874 0.1874 0.2481 0.2481 0.4164 0.4164 0.4381 0.4381 0.7504 0.7504 1.6802 1.6802 4.4711 4.4711 5.5668 5.5668 5.7182 5.7182 6.4627 6.4627 7.4670 7.4670 9.3415 9.3415 10.5358 10.5358 10.7888 10.7888 13.0620 13.0620 k =-0.1333 0.2404 0.9147 ( 3491 PWs) bands (ev): -26.9279 -26.9279 -9.7547 -9.7547 -8.6276 -8.6276 -8.6098 -8.6098 -1.2046 -1.2046 -0.7295 -0.7295 -0.5114 -0.5114 -0.4610 -0.4610 -0.1114 -0.1114 0.1021 0.1021 0.1868 0.1868 0.2494 0.2494 0.4106 0.4106 0.4343 0.4343 0.7496 0.7496 1.6376 1.6376 4.4301 4.4301 5.6281 5.6281 5.7811 5.7811 6.4902 6.4902 7.5072 7.5072 9.3887 9.3887 10.5192 10.5192 10.7868 10.7868 13.0503 13.0503 k =-0.1403 0.2531 0.9002 ( 3487 PWs) bands (ev): -26.9280 -26.9280 -9.7542 -9.7542 -8.6283 -8.6283 -8.6079 -8.6079 -1.2025 -1.2025 -0.7268 -0.7268 -0.5085 -0.5085 -0.4569 -0.4569 -0.1184 -0.1184 0.0988 0.0988 0.1866 0.1866 0.2507 0.2507 0.4044 0.4044 0.4303 0.4303 0.7484 0.7484 1.5962 1.5962 4.3870 4.3870 5.6865 5.6865 5.8489 5.8489 6.5191 6.5191 7.5536 7.5536 9.4401 9.4401 10.5018 10.5018 10.7814 10.7814 13.0072 13.0072 k =-0.1474 0.2658 0.8856 ( 3484 PWs) bands (ev): -26.9281 -26.9281 -9.7538 -9.7538 -8.6290 -8.6290 -8.6060 -8.6060 -1.2003 -1.2003 -0.7240 -0.7240 -0.5053 -0.5053 -0.4529 -0.4529 -0.1253 -0.1253 0.0949 0.0949 0.1868 0.1868 0.2519 0.2519 0.3980 0.3980 0.4261 0.4261 0.7468 0.7468 1.5564 1.5564 4.3429 4.3429 5.7412 5.7412 5.9208 5.9208 6.5491 6.5491 7.6069 7.6069 9.4953 9.4953 10.4838 10.4838 10.7732 10.7732 12.9400 12.9400 k =-0.1544 0.2785 0.8711 ( 3486 PWs) bands (ev): -26.9282 -26.9282 -9.7533 -9.7533 -8.6298 -8.6298 -8.6041 -8.6041 -1.1981 -1.1981 -0.7212 -0.7212 -0.5017 -0.5017 -0.4490 -0.4490 -0.1322 -0.1322 0.0905 0.0905 0.1873 0.1873 0.2532 0.2532 0.3913 0.3913 0.4216 0.4216 0.7449 0.7449 1.5181 1.5181 4.2984 4.2984 5.7915 5.7915 5.9957 5.9957 6.5803 6.5803 7.6676 7.6676 9.5541 9.5541 10.4650 10.4650 10.7628 10.7628 12.8597 12.8597 k =-0.1615 0.2912 0.8566 ( 3486 PWs) bands (ev): -26.9283 -26.9283 -9.7529 -9.7529 -8.6305 -8.6305 -8.6021 -8.6021 -1.1960 -1.1960 -0.7182 -0.7182 -0.4978 -0.4978 -0.4452 -0.4452 -0.1390 -0.1390 0.0855 0.0855 0.1882 0.1882 0.2545 0.2545 0.3844 0.3844 0.4169 0.4169 0.7426 0.7426 1.4815 1.4815 4.2540 4.2540 5.8373 5.8373 6.0728 6.0728 6.6125 6.6125 7.7362 7.7362 9.6161 9.6161 10.4454 10.4454 10.7507 10.7507 12.7725 12.7725 k =-0.1685 0.3040 0.8420 ( 3492 PWs) bands (ev): -26.9284 -26.9284 -9.7525 -9.7525 -8.6313 -8.6313 -8.6001 -8.6001 -1.1939 -1.1939 -0.7152 -0.7152 -0.4935 -0.4935 -0.4415 -0.4415 -0.1457 -0.1457 0.0801 0.0801 0.1894 0.1894 0.2558 0.2558 0.3773 0.3773 0.4120 0.4120 0.7401 0.7401 1.4467 1.4467 4.2103 4.2103 5.8781 5.8781 6.1510 6.1510 6.6459 6.6459 7.8130 7.8130 9.6809 9.6809 10.4251 10.4251 10.7371 10.7371 12.6820 12.6820 k =-0.1756 0.3167 0.8275 ( 3494 PWs) bands (ev): -26.9285 -26.9285 -9.7520 -9.7520 -8.6321 -8.6321 -8.5981 -8.5981 -1.1918 -1.1918 -0.7122 -0.7122 -0.4890 -0.4890 -0.4379 -0.4379 -0.1522 -0.1522 0.0744 0.0744 0.1909 0.1909 0.2571 0.2571 0.3701 0.3701 0.4070 0.4070 0.7374 0.7374 1.4138 1.4138 4.1677 4.1677 5.9140 5.9140 6.2294 6.2294 6.6807 6.6807 7.8980 7.8980 9.7483 9.7483 10.4042 10.4042 10.7223 10.7223 12.5907 12.5907 k =-0.1827 0.3294 0.8129 ( 3498 PWs) bands (ev): -26.9286 -26.9286 -9.7516 -9.7516 -8.6328 -8.6328 -8.5961 -8.5961 -1.1899 -1.1899 -0.7092 -0.7092 -0.4842 -0.4842 -0.4345 -0.4345 -0.1587 -0.1587 0.0684 0.0684 0.1926 0.1926 0.2584 0.2584 0.3629 0.3629 0.4018 0.4018 0.7346 0.7346 1.3829 1.3829 4.1264 4.1264 5.9451 5.9451 6.3067 6.3067 6.7174 6.7174 7.9911 7.9911 9.8179 9.8179 10.3827 10.3827 10.7060 10.7060 12.5004 12.5004 k =-0.1897 0.3421 0.7984 ( 3502 PWs) bands (ev): -26.9286 -26.9286 -9.7512 -9.7512 -8.6336 -8.6336 -8.5942 -8.5942 -1.1880 -1.1880 -0.7062 -0.7062 -0.4792 -0.4792 -0.4312 -0.4312 -0.1651 -0.1651 0.0623 0.0623 0.1946 0.1946 0.2597 0.2597 0.3557 0.3557 0.3966 0.3966 0.7317 0.7317 1.3540 1.3540 4.0867 4.0867 5.9717 5.9717 6.3815 6.3815 6.7566 6.7566 8.0919 8.0919 9.8893 9.8893 10.3608 10.3608 10.6881 10.6881 12.4131 12.4131 k =-0.1968 0.3548 0.7838 ( 3490 PWs) bands (ev): -26.9287 -26.9287 -9.7508 -9.7508 -8.6343 -8.6343 -8.5923 -8.5923 -1.1863 -1.1863 -0.7033 -0.7033 -0.4739 -0.4739 -0.4281 -0.4281 -0.1713 -0.1713 0.0561 0.0561 0.1969 0.1969 0.2610 0.2610 0.3485 0.3485 0.3914 0.3914 0.7287 0.7287 1.3271 1.3271 4.0490 4.0490 5.9941 5.9941 6.4522 6.4522 6.7992 6.7992 8.2000 8.2000 9.9620 9.9620 10.3387 10.3387 10.6682 10.6682 12.3304 12.3304 k =-0.2038 0.3676 0.7693 ( 3490 PWs) bands (ev): -26.9288 -26.9288 -9.7504 -9.7504 -8.6350 -8.6350 -8.5905 -8.5905 -1.1846 -1.1846 -0.7005 -0.7005 -0.4684 -0.4684 -0.4251 -0.4251 -0.1775 -0.1775 0.0500 0.0500 0.1992 0.1992 0.2623 0.2623 0.3415 0.3415 0.3862 0.3862 0.7257 0.7257 1.3023 1.3023 4.0133 4.0133 6.0127 6.0127 6.5169 6.5169 6.8460 6.8460 8.3149 8.3149 10.0355 10.0355 10.3166 10.3166 10.6460 10.6460 12.2538 12.2538 k =-0.2109 0.3803 0.7548 ( 3486 PWs) bands (ev): -26.9289 -26.9289 -9.7500 -9.7500 -8.6356 -8.6356 -8.5887 -8.5887 -1.1831 -1.1831 -0.6978 -0.6978 -0.4628 -0.4628 -0.4223 -0.4223 -0.1835 -0.1835 0.0439 0.0439 0.2018 0.2018 0.2636 0.2636 0.3348 0.3348 0.3810 0.3810 0.7228 0.7228 1.2795 1.2795 3.9799 3.9799 6.0281 6.0281 6.5742 6.5742 6.8978 6.8978 8.4359 8.4359 10.1090 10.1090 10.2947 10.2947 10.6213 10.6213 12.1842 12.1842 k =-0.2179 0.3930 0.7402 ( 3490 PWs) bands (ev): -26.9290 -26.9290 -9.7497 -9.7497 -8.6363 -8.6363 -8.5871 -8.5871 -1.1817 -1.1817 -0.6953 -0.6953 -0.4571 -0.4571 -0.4196 -0.4196 -0.1895 -0.1895 0.0381 0.0381 0.2044 0.2044 0.2648 0.2648 0.3283 0.3283 0.3758 0.3758 0.7200 0.7200 1.2587 1.2587 3.9489 3.9489 6.0405 6.0405 6.6234 6.6234 6.9544 6.9544 8.5625 8.5625 10.1809 10.1809 10.2739 10.2739 10.5943 10.5943 12.1183 12.1184 k =-0.2250 0.4057 0.7257 ( 3484 PWs) bands (ev): -26.9290 -26.9290 -9.7494 -9.7494 -8.6368 -8.6368 -8.5856 -8.5856 -1.1804 -1.1804 -0.6929 -0.6929 -0.4514 -0.4514 -0.4171 -0.4171 -0.1953 -0.1953 0.0326 0.0326 0.2071 0.2071 0.2660 0.2660 0.3224 0.3224 0.3708 0.3708 0.7173 0.7173 1.2401 1.2401 3.9205 3.9205 6.0505 6.0505 6.6645 6.6645 7.0146 7.0146 8.6939 8.6939 10.2354 10.2354 10.2687 10.2687 10.5655 10.5655 11.9907 11.9907 k =-0.2320 0.4184 0.7111 ( 3488 PWs) bands (ev): -26.9291 -26.9291 -9.7491 -9.7491 -8.6374 -8.6374 -8.5842 -8.5842 -1.1793 -1.1793 -0.6908 -0.6908 -0.4458 -0.4458 -0.4148 -0.4148 -0.2010 -0.2010 0.0274 0.0274 0.2098 0.2098 0.2669 0.2669 0.3170 0.3170 0.3660 0.3660 0.7148 0.7148 1.2234 1.2234 3.8948 3.8948 6.0585 6.0585 6.6986 6.6986 7.0764 7.0764 8.8292 8.8292 10.2239 10.2239 10.3255 10.3255 10.5366 10.5366 11.8235 11.8235 k =-0.2391 0.4311 0.6966 ( 3484 PWs) bands (ev): -26.9292 -26.9292 -9.7488 -9.7488 -8.6378 -8.6378 -8.5829 -8.5829 -1.1783 -1.1783 -0.6889 -0.6889 -0.4404 -0.4404 -0.4127 -0.4127 -0.2064 -0.2064 0.0227 0.0227 0.2125 0.2125 0.2675 0.2675 0.3123 0.3123 0.3614 0.3614 0.7124 0.7124 1.2088 1.2088 3.8719 3.8719 6.0647 6.0647 6.7265 6.7265 7.1377 7.1377 8.9675 8.9675 10.2031 10.2031 10.3831 10.3831 10.5112 10.5112 11.6594 11.6594 k =-0.2461 0.4439 0.6820 ( 3484 PWs) bands (ev): -26.9292 -26.9292 -9.7486 -9.7486 -8.6383 -8.6383 -8.5818 -8.5818 -1.1774 -1.1774 -0.6872 -0.6872 -0.4354 -0.4354 -0.4108 -0.4108 -0.2115 -0.2115 0.0186 0.0186 0.2151 0.2151 0.2677 0.2677 0.3084 0.3084 0.3571 0.3571 0.7103 0.7103 1.1961 1.1961 3.8518 3.8518 6.0696 6.0696 6.7493 6.7493 7.1961 7.1961 9.1075 9.1075 10.1818 10.1818 10.4188 10.4188 10.5016 10.5016 11.5037 11.5037 k =-0.2532 0.4566 0.6675 ( 3488 PWs) bands (ev): -26.9292 -26.9292 -9.7484 -9.7484 -8.6386 -8.6386 -8.5808 -8.5808 -1.1767 -1.1767 -0.6857 -0.6857 -0.4308 -0.4308 -0.4090 -0.4090 -0.2162 -0.2162 0.0149 0.0149 0.2176 0.2176 0.2675 0.2675 0.3055 0.3055 0.3531 0.3531 0.7085 0.7085 1.1855 1.1855 3.8347 3.8347 6.0732 6.0732 6.7677 6.7677 7.2496 7.2496 9.2477 9.2477 10.1610 10.1610 10.4170 10.4170 10.5193 10.5193 11.3621 11.3621 k =-0.2602 0.4693 0.6530 ( 3486 PWs) bands (ev): -26.9293 -26.9293 -9.7483 -9.7483 -8.6389 -8.6389 -8.5800 -8.5800 -1.1761 -1.1761 -0.6845 -0.6845 -0.4268 -0.4268 -0.4075 -0.4075 -0.2203 -0.2203 0.0119 0.0119 0.2199 0.2199 0.2669 0.2669 0.3035 0.3035 0.3497 0.3497 0.7070 0.7070 1.1768 1.1768 3.8206 3.8206 6.0760 6.0760 6.7823 6.7823 7.2964 7.2964 9.3852 9.3852 10.1414 10.1414 10.4003 10.4003 10.5352 10.5352 11.2430 11.2430 k =-0.2673 0.4820 0.6384 ( 3490 PWs) bands (ev): -26.9293 -26.9293 -9.7481 -9.7481 -8.6391 -8.6391 -8.5794 -8.5794 -1.1757 -1.1757 -0.6835 -0.6835 -0.4236 -0.4236 -0.4062 -0.4062 -0.2238 -0.2238 0.0096 0.0096 0.2219 0.2219 0.2659 0.2659 0.3023 0.3023 0.3469 0.3469 0.7058 0.7058 1.1700 1.1700 3.8096 3.8096 6.0779 6.0779 6.7933 6.7933 7.3348 7.3348 9.5156 9.5156 10.1242 10.1242 10.3837 10.3837 10.5273 10.5273 11.1561 11.1561 k =-0.2743 0.4947 0.6239 ( 3487 PWs) bands (ev): -26.9293 -26.9293 -9.7480 -9.7480 -8.6393 -8.6393 -8.5789 -8.5789 -1.1754 -1.1754 -0.6828 -0.6828 -0.4212 -0.4212 -0.4051 -0.4051 -0.2264 -0.2264 0.0079 0.0079 0.2235 0.2235 0.2650 0.2650 0.3016 0.3016 0.3448 0.3448 0.7049 0.7049 1.1652 1.1652 3.8017 3.8017 6.0792 6.0792 6.8011 6.8011 7.3633 7.3633 9.6307 9.6307 10.1107 10.1107 10.3709 10.3709 10.4931 10.4931 11.1054 11.1054 k =-0.2814 0.5075 0.6093 ( 3487 PWs) bands (ev): -26.9293 -26.9293 -9.7480 -9.7480 -8.6394 -8.6394 -8.5786 -8.5786 -1.1752 -1.1752 -0.6823 -0.6823 -0.4198 -0.4198 -0.4044 -0.4044 -0.2280 -0.2280 0.0068 0.0068 0.2245 0.2245 0.2642 0.2642 0.3012 0.3012 0.3435 0.3435 0.7044 0.7044 1.1623 1.1623 3.7969 3.7969 6.0800 6.0800 6.8058 6.8058 7.3809 7.3809 9.7154 9.7154 10.1020 10.1020 10.3632 10.3632 10.4507 10.4507 11.0834 11.0834 k =-0.2884 0.5202 0.5948 ( 3483 PWs) bands (ev): -26.9294 -26.9294 -9.7480 -9.7480 -8.6394 -8.6394 -8.5785 -8.5785 -1.1751 -1.1751 -0.6821 -0.6821 -0.4193 -0.4193 -0.4041 -0.4041 -0.2287 -0.2287 0.0065 0.0065 0.2250 0.2250 0.2639 0.2639 0.3010 0.3010 0.3432 0.3432 0.7042 0.7042 1.1614 1.1614 3.7953 3.7953 6.0802 6.0802 6.8074 6.8074 7.3868 7.3868 9.7477 9.7477 10.0990 10.0990 10.3606 10.3606 10.4310 10.4310 11.0778 11.0778 k =-0.2884 0.5202 0.5948 ( 3483 PWs) bands (ev): -26.9294 -26.9294 -9.7480 -9.7480 -8.6394 -8.6394 -8.5785 -8.5785 -1.1751 -1.1751 -0.6821 -0.6821 -0.4193 -0.4193 -0.4041 -0.4041 -0.2287 -0.2287 0.0065 0.0065 0.2250 0.2250 0.2639 0.2639 0.3010 0.3010 0.3432 0.3432 0.7042 0.7042 1.1614 1.1614 3.7953 3.7953 6.0802 6.0802 6.8074 6.8074 7.3868 7.3868 9.7477 9.7477 10.0990 10.0990 10.3606 10.3606 10.4310 10.4310 11.0778 11.0778 k =-0.2812 0.5072 0.5799 ( 3483 PWs) bands (ev): -26.9293 -26.9293 -9.7483 -9.7483 -8.6401 -8.6401 -8.5786 -8.5786 -1.1710 -1.1710 -0.6853 -0.6853 -0.4156 -0.4156 -0.4031 -0.4031 -0.2200 -0.2200 -0.0040 -0.0040 0.2318 0.2318 0.2671 0.2671 0.2965 0.2965 0.3306 0.3306 0.6918 0.6918 1.2253 1.2253 3.7568 3.7568 6.0049 6.0049 6.7528 6.7528 7.4102 7.4102 9.6712 9.6712 10.1552 10.1552 10.4218 10.4218 10.4734 10.4734 11.0667 11.0667 k =-0.2740 0.4942 0.5650 ( 3481 PWs) bands (ev): -26.9293 -26.9293 -9.7485 -9.7485 -8.6407 -8.6407 -8.5786 -8.5786 -1.1679 -1.1679 -0.6886 -0.6886 -0.4129 -0.4129 -0.4020 -0.4020 -0.2127 -0.2127 -0.0135 -0.0135 0.2391 0.2391 0.2704 0.2704 0.2923 0.2923 0.3188 0.3188 0.6765 0.6765 1.2905 1.2905 3.7255 3.7255 5.9329 5.9329 6.6999 6.6999 7.4342 7.4342 9.5907 9.5907 10.2108 10.2108 10.4745 10.4745 10.5225 10.5225 11.0684 11.0685 k =-0.2668 0.4812 0.5502 ( 3485 PWs) bands (ev): -26.9293 -26.9293 -9.7487 -9.7487 -8.6411 -8.6411 -8.5786 -8.5786 -1.1658 -1.1658 -0.6922 -0.6922 -0.4115 -0.4115 -0.4008 -0.4008 -0.2077 -0.2077 -0.0214 -0.0214 0.2465 0.2465 0.2737 0.2737 0.2887 0.2887 0.3079 0.3079 0.6584 0.6584 1.3567 1.3567 3.7013 3.7013 5.8646 5.8646 6.6494 6.6494 7.4589 7.4589 9.5072 9.5072 10.2659 10.2659 10.5049 10.5049 10.5892 10.5892 11.0845 11.0845 k =-0.2596 0.4682 0.5353 ( 3481 PWs) bands (ev): -26.9292 -26.9292 -9.7488 -9.7488 -8.6413 -8.6413 -8.5786 -8.5786 -1.1648 -1.1648 -0.6961 -0.6961 -0.4111 -0.4111 -0.3995 -0.3995 -0.2054 -0.2054 -0.0269 -0.0269 0.2531 0.2531 0.2769 0.2769 0.2862 0.2862 0.2986 0.2986 0.6379 0.6379 1.4236 1.4236 3.6837 3.6837 5.8003 5.8003 6.6018 6.6018 7.4842 7.4842 9.4214 9.4214 10.3205 10.3205 10.5200 10.5200 10.6650 10.6650 11.1148 11.1148 k =-0.2524 0.4551 0.5204 ( 3485 PWs) bands (ev): -26.9292 -26.9292 -9.7488 -9.7488 -8.6414 -8.6414 -8.5785 -8.5785 -1.1650 -1.1650 -0.7004 -0.7004 -0.4117 -0.4117 -0.3984 -0.3984 -0.2065 -0.2065 -0.0296 -0.0296 0.2572 0.2572 0.2793 0.2793 0.2853 0.2853 0.2926 0.2926 0.6154 0.6154 1.4908 1.4908 3.6722 3.6722 5.7404 5.7404 6.5577 6.5577 7.5103 7.5103 9.3339 9.3339 10.3743 10.3743 10.5254 10.5254 10.7446 10.7446 11.1583 11.1583 k =-0.2452 0.4421 0.5056 ( 3485 PWs) bands (ev): -26.9292 -26.9292 -9.7488 -9.7488 -8.6413 -8.6413 -8.5785 -8.5785 -1.1663 -1.1663 -0.7050 -0.7050 -0.4130 -0.4130 -0.3976 -0.3976 -0.2111 -0.2111 -0.0293 -0.0293 0.2570 0.2570 0.2770 0.2770 0.2880 0.2880 0.2936 0.2936 0.5914 0.5914 1.5581 1.5581 3.6660 3.6660 5.6854 5.6854 6.5176 6.5176 7.5372 7.5372 9.2454 9.2454 10.4265 10.4265 10.5242 10.5242 10.8260 10.8260 11.2129 11.2129 k =-0.2380 0.4291 0.4907 ( 3485 PWs) bands (ev): -26.9292 -26.9292 -9.7487 -9.7487 -8.6410 -8.6410 -8.5785 -8.5785 -1.1690 -1.1690 -0.7100 -0.7100 -0.4151 -0.4151 -0.3971 -0.3971 -0.2189 -0.2189 -0.0266 -0.0266 0.2534 0.2534 0.2723 0.2723 0.2920 0.2920 0.3009 0.3009 0.5665 0.5665 1.6249 1.6249 3.6647 3.6647 5.6354 5.6354 6.4822 6.4822 7.5650 7.5650 9.1564 9.1564 10.4754 10.4754 10.5194 10.5194 10.9082 10.9082 11.2762 11.2762 k =-0.2307 0.4161 0.4758 ( 3481 PWs) bands (ev): -26.9293 -26.9293 -9.7485 -9.7485 -8.6406 -8.6406 -8.5785 -8.5785 -1.1730 -1.1730 -0.7154 -0.7154 -0.4179 -0.4179 -0.3971 -0.3971 -0.2292 -0.2292 -0.0219 -0.0219 0.2481 0.2481 0.2681 0.2681 0.2961 0.2961 0.3111 0.3111 0.5413 0.5413 1.6910 1.6910 3.6673 3.6673 5.5910 5.5910 6.4520 6.4520 7.5936 7.5936 9.0673 9.0673 10.5036 10.5036 10.5292 10.5292 10.9905 10.9905 11.3463 11.3463 k =-0.2235 0.4031 0.4610 ( 3477 PWs) bands (ev): -26.9293 -26.9293 -9.7482 -9.7482 -8.6400 -8.6400 -8.5784 -8.5784 -1.1783 -1.1783 -0.7212 -0.7212 -0.4214 -0.4214 -0.3974 -0.3974 -0.2414 -0.2414 -0.0162 -0.0162 0.2422 0.2422 0.2646 0.2646 0.3004 0.3004 0.3226 0.3226 0.5164 0.5164 1.7558 1.7558 3.6733 3.6733 5.5527 5.5527 6.4274 6.4274 7.6231 7.6231 8.9784 8.9784 10.4967 10.4967 10.5681 10.5681 11.0722 11.0722 11.4215 11.4215 k =-0.2163 0.3901 0.4461 ( 3483 PWs) bands (ev): -26.9293 -26.9293 -9.7479 -9.7479 -8.6393 -8.6393 -8.5784 -8.5784 -1.1850 -1.1850 -0.7275 -0.7275 -0.4257 -0.4257 -0.3982 -0.3982 -0.2550 -0.2550 -0.0101 -0.0101 0.2363 0.2363 0.2617 0.2617 0.3049 0.3049 0.3349 0.3349 0.4923 0.4923 1.8189 1.8189 3.6818 3.6818 5.5207 5.5207 6.4090 6.4090 7.6537 7.6537 8.8901 8.8901 10.4866 10.4866 10.6035 10.6035 11.1528 11.1528 11.5005 11.5005 k =-0.2091 0.3771 0.4312 ( 3479 PWs) bands (ev): -26.9294 -26.9294 -9.7475 -9.7475 -8.6384 -8.6384 -8.5783 -8.5783 -1.1931 -1.1931 -0.7342 -0.7342 -0.4308 -0.4308 -0.3994 -0.3994 -0.2692 -0.2692 -0.0042 -0.0042 0.2307 0.2307 0.2591 0.2591 0.3098 0.3098 0.3478 0.3478 0.4699 0.4699 1.8799 1.8799 3.6922 3.6922 5.4956 5.4956 6.3972 6.3972 7.6851 7.6851 8.8027 8.8027 10.4764 10.4764 10.6315 10.6315 11.2316 11.2316 11.5822 11.5822 k =-0.2019 0.3641 0.4164 ( 3485 PWs) bands (ev): -26.9294 -26.9294 -9.7470 -9.7470 -8.6374 -8.6374 -8.5782 -8.5782 -1.2026 -1.2026 -0.7414 -0.7414 -0.4368 -0.4368 -0.4010 -0.4010 -0.2838 -0.2838 0.0009 0.0009 0.2253 0.2253 0.2569 0.2569 0.3150 0.3150 0.3612 0.3612 0.4495 0.4495 1.9384 1.9384 3.7037 3.7037 5.4778 5.4778 6.3924 6.3924 7.7176 7.7176 8.7164 8.7164 10.4666 10.4666 10.6505 10.6505 11.3083 11.3083 11.6656 11.6656 k =-0.1947 0.3511 0.4015 ( 3493 PWs) bands (ev): -26.9295 -26.9295 -9.7465 -9.7465 -8.6362 -8.6362 -8.5781 -8.5781 -1.2135 -1.2135 -0.7491 -0.7491 -0.4436 -0.4436 -0.4028 -0.4028 -0.2984 -0.2984 0.0051 0.0051 0.2203 0.2203 0.2548 0.2548 0.3206 0.3206 0.3750 0.3750 0.4318 0.4318 1.9938 1.9938 3.7156 3.7156 5.4677 5.4677 6.3951 6.3951 7.7510 7.7510 8.6315 8.6315 10.4575 10.4575 10.6592 10.6592 11.3823 11.3823 11.7497 11.7497 k =-0.1875 0.3381 0.3866 ( 3491 PWs) bands (ev): -26.9296 -26.9296 -9.7459 -9.7459 -8.6350 -8.6350 -8.5780 -8.5780 -1.2258 -1.2258 -0.7572 -0.7572 -0.4513 -0.4513 -0.4050 -0.4050 -0.3128 -0.3128 0.0079 0.0079 0.2155 0.2155 0.2528 0.2528 0.3268 0.3268 0.3889 0.3889 0.4172 0.4172 2.0458 2.0458 3.7275 3.7275 5.4657 5.4657 6.4055 6.4055 7.7854 7.7854 8.5481 8.5481 10.4493 10.4493 10.6570 10.6570 11.4532 11.4532 11.8334 11.8334 k =-0.1803 0.3251 0.3717 ( 3487 PWs) bands (ev): -26.9296 -26.9296 -9.7453 -9.7453 -8.6336 -8.6336 -8.5778 -8.5778 -1.2395 -1.2395 -0.7658 -0.7658 -0.4597 -0.4597 -0.4074 -0.4074 -0.3266 -0.3266 0.0093 0.0093 0.2111 0.2111 0.2508 0.2508 0.3335 0.3335 0.4003 0.4003 0.4087 0.4087 2.0940 2.0940 3.7388 3.7388 5.4722 5.4722 6.4239 6.4239 7.8206 7.8206 8.4665 8.4665 10.4420 10.4420 10.6438 10.6438 11.5204 11.5204 11.9153 11.9153 k =-0.1731 0.3121 0.3569 ( 3473 PWs) bands (ev): -26.9297 -26.9297 -9.7446 -9.7446 -8.6322 -8.6322 -8.5776 -8.5776 -1.2544 -1.2544 -0.7748 -0.7748 -0.4689 -0.4689 -0.4100 -0.4100 -0.3399 -0.3399 0.0092 0.0092 0.2071 0.2071 0.2488 0.2488 0.3408 0.3408 0.3953 0.3953 0.4198 0.4198 2.1381 2.1381 3.7490 3.7490 5.4873 5.4873 6.4505 6.4505 7.8568 7.8568 8.3868 8.3868 10.4356 10.4356 10.6201 10.6201 11.5833 11.5833 11.9936 11.9936 k =-0.1658 0.2991 0.3420 ( 3467 PWs) bands (ev): -26.9298 -26.9298 -9.7439 -9.7439 -8.6307 -8.6307 -8.5773 -8.5773 -1.2706 -1.2706 -0.7841 -0.7841 -0.4786 -0.4786 -0.4129 -0.4129 -0.3526 -0.3526 0.0076 0.0076 0.2036 0.2036 0.2468 0.2468 0.3485 0.3485 0.3897 0.3897 0.4345 0.4345 2.1778 2.1778 3.7580 3.7580 5.5114 5.5114 6.4852 6.4852 7.8938 7.8938 8.3091 8.3091 10.4300 10.4300 10.5870 10.5870 11.6407 11.6407 12.0657 12.0657 k =-0.1586 0.2861 0.3271 ( 3479 PWs) bands (ev): -26.9299 -26.9299 -9.7432 -9.7432 -8.6292 -8.6292 -8.5770 -8.5770 -1.2879 -1.2879 -0.7938 -0.7938 -0.4888 -0.4888 -0.4160 -0.4160 -0.3645 -0.3645 0.0048 0.0048 0.2007 0.2007 0.2449 0.2449 0.3565 0.3565 0.3865 0.3865 0.4496 0.4496 2.2130 2.2130 3.7654 3.7654 5.5444 5.5444 6.5281 6.5281 7.9315 7.9315 8.2337 8.2337 10.4249 10.4249 10.5460 10.5460 11.6913 11.6913 12.1281 12.1281 k =-0.1514 0.2731 0.3123 ( 3473 PWs) bands (ev): -26.9300 -26.9300 -9.7424 -9.7424 -8.6277 -8.6277 -8.5766 -8.5766 -1.3061 -1.3061 -0.8037 -0.8037 -0.4992 -0.4992 -0.4192 -0.4192 -0.3758 -0.3758 0.0009 0.0009 0.1986 0.1986 0.2432 0.2432 0.3642 0.3642 0.3859 0.3859 0.4650 0.4650 2.2436 2.2436 3.7711 3.7711 5.5865 5.5865 6.5791 6.5791 7.9698 7.9698 8.1606 8.1606 10.4202 10.4202 10.4985 10.4985 11.7333 11.7333 12.1755 12.1755 k =-0.1442 0.2601 0.2974 ( 3491 PWs) bands (ev): -26.9301 -26.9301 -9.7416 -9.7416 -8.6262 -8.6262 -8.5761 -8.5761 -1.3252 -1.3252 -0.8138 -0.8138 -0.5098 -0.5098 -0.4226 -0.4226 -0.3864 -0.3864 -0.0039 -0.0039 0.1973 0.1973 0.2416 0.2416 0.3705 0.3705 0.3884 0.3884 0.4803 0.4803 2.2696 2.2696 3.7751 3.7751 5.6373 5.6373 6.6379 6.6379 8.0085 8.0085 8.0902 8.0902 10.4156 10.4156 10.4461 10.4461 11.7640 11.7640 12.2011 12.2011 k =-0.1370 0.2471 0.2825 ( 3483 PWs) bands (ev): -26.9302 -26.9302 -9.7408 -9.7408 -8.6247 -8.6247 -8.5755 -8.5755 -1.3450 -1.3450 -0.8240 -0.8240 -0.5203 -0.5203 -0.4262 -0.4262 -0.3963 -0.3963 -0.0092 -0.0092 0.1968 0.1968 0.2403 0.2403 0.3745 0.3745 0.3946 0.3946 0.4958 0.4958 2.2913 2.2913 3.7775 3.7775 5.6968 5.6968 6.7044 6.7044 8.0211 8.0211 8.0489 8.0489 10.3901 10.3901 10.4108 10.4108 11.7808 11.7808 12.1981 12.1981 k =-0.1298 0.2341 0.2677 ( 3477 PWs) bands (ev): -26.9303 -26.9303 -9.7400 -9.7400 -8.6233 -8.6233 -8.5749 -8.5749 -1.3653 -1.3653 -0.8343 -0.8343 -0.5305 -0.5305 -0.4299 -0.4299 -0.4055 -0.4055 -0.0149 -0.0149 0.1972 0.1972 0.2394 0.2394 0.3772 0.3772 0.4030 0.4030 0.5111 0.5111 2.3088 2.3088 3.7783 3.7783 5.7646 5.7646 6.7783 6.7783 7.9565 7.9565 8.0879 8.0879 10.3319 10.3319 10.4050 10.4050 11.7803 11.7803 12.1622 12.1622 k =-0.1226 0.2211 0.2528 ( 3481 PWs) bands (ev): -26.9304 -26.9304 -9.7392 -9.7392 -8.6219 -8.6219 -8.5741 -8.5741 -1.3858 -1.3858 -0.8445 -0.8445 -0.5404 -0.5404 -0.4337 -0.4337 -0.4141 -0.4141 -0.0209 -0.0209 0.1982 0.1982 0.2387 0.2387 0.3794 0.3794 0.4123 0.4123 0.5263 0.5263 2.3223 2.3223 3.7776 3.7776 5.8402 5.8402 6.8590 6.8590 7.8941 7.8941 8.1275 8.1275 10.2723 10.2723 10.3979 10.3979 11.7598 11.7598 12.0952 12.0952 k =-0.1154 0.2081 0.2379 ( 3481 PWs) bands (ev): -26.9305 -26.9305 -9.7384 -9.7384 -8.6207 -8.6207 -8.5732 -8.5732 -1.4065 -1.4065 -0.8546 -0.8546 -0.5499 -0.5499 -0.4377 -0.4377 -0.4221 -0.4221 -0.0269 -0.0269 0.2000 0.2000 0.2383 0.2383 0.3816 0.3816 0.4220 0.4220 0.5411 0.5411 2.3323 2.3323 3.7757 3.7757 5.9232 5.9232 6.9462 6.9462 7.8347 7.8347 8.1671 8.1671 10.2123 10.2123 10.3886 10.3886 11.7178 11.7178 12.0033 12.0033 k =-0.1082 0.1951 0.2230 ( 3485 PWs) bands (ev): -26.9306 -26.9306 -9.7377 -9.7377 -8.6195 -8.6195 -8.5723 -8.5723 -1.4270 -1.4270 -0.8644 -0.8644 -0.5590 -0.5590 -0.4418 -0.4418 -0.4293 -0.4293 -0.0327 -0.0327 0.2022 0.2022 0.2381 0.2381 0.3837 0.3837 0.4316 0.4316 0.5557 0.5557 2.3391 2.3391 3.7727 3.7727 6.0128 6.0128 7.0395 7.0395 7.7784 7.7784 8.2065 8.2065 10.1525 10.1525 10.3763 10.3763 11.6545 11.6545 11.8945 11.8945 k =-0.1010 0.1821 0.2082 ( 3489 PWs) bands (ev): -26.9307 -26.9307 -9.7369 -9.7369 -8.6185 -8.6185 -8.5713 -8.5713 -1.4473 -1.4473 -0.8740 -0.8740 -0.5675 -0.5675 -0.4460 -0.4460 -0.4359 -0.4359 -0.0384 -0.0384 0.2048 0.2048 0.2381 0.2381 0.3859 0.3859 0.4410 0.4410 0.5698 0.5698 2.3432 2.3432 3.7688 3.7688 6.1085 6.1085 7.1384 7.1384 7.7253 7.7253 8.2454 8.2454 10.0933 10.0933 10.3596 10.3596 11.5720 11.5720 11.7760 11.7760 k =-0.0937 0.1691 0.1933 ( 3489 PWs) bands (ev): -26.9308 -26.9308 -9.7362 -9.7362 -8.6176 -8.6176 -8.5702 -8.5702 -1.4671 -1.4671 -0.8833 -0.8833 -0.5755 -0.5755 -0.4504 -0.4504 -0.4417 -0.4417 -0.0437 -0.0437 0.2078 0.2078 0.2384 0.2384 0.3881 0.3881 0.4502 0.4502 0.5834 0.5834 2.3449 2.3449 3.7643 3.7643 6.2094 6.2094 7.2421 7.2421 7.6757 7.6757 8.2835 8.2835 10.0352 10.0352 10.3371 10.3371 11.4737 11.4737 11.6540 11.6540 k =-0.0865 0.1561 0.1784 ( 3501 PWs) bands (ev): -26.9308 -26.9308 -9.7355 -9.7355 -8.6167 -8.6167 -8.5691 -8.5691 -1.4862 -1.4862 -0.8921 -0.8921 -0.5829 -0.5829 -0.4549 -0.4549 -0.4469 -0.4469 -0.0488 -0.0488 0.2109 0.2109 0.2388 0.2388 0.3902 0.3902 0.4589 0.4589 0.5964 0.5964 2.3446 2.3446 3.7592 3.7592 6.3147 6.3147 7.3498 7.3498 7.6299 7.6299 8.3207 8.3207 9.9782 9.9782 10.3070 10.3070 11.3635 11.3635 11.5338 11.5338 k =-0.0793 0.1430 0.1636 ( 3497 PWs) bands (ev): -26.9309 -26.9309 -9.7348 -9.7348 -8.6160 -8.6160 -8.5679 -8.5679 -1.5044 -1.5044 -0.9004 -0.9004 -0.5897 -0.5897 -0.4593 -0.4593 -0.4513 -0.4513 -0.0534 -0.0534 0.2140 0.2140 0.2395 0.2395 0.3923 0.3923 0.4672 0.4672 0.6087 0.6087 2.3428 2.3428 3.7539 3.7539 6.4235 6.4235 7.4590 7.4590 7.5903 7.5903 8.3566 8.3566 9.9223 9.9223 10.2676 10.2676 11.2452 11.2452 11.4200 11.4200 k =-0.0721 0.1300 0.1487 ( 3501 PWs) bands (ev): -26.9310 -26.9310 -9.7342 -9.7342 -8.6154 -8.6154 -8.5668 -8.5668 -1.5216 -1.5216 -0.9082 -0.9082 -0.5959 -0.5959 -0.4635 -0.4635 -0.4554 -0.4554 -0.0577 -0.0577 0.2171 0.2171 0.2403 0.2403 0.3942 0.3942 0.4749 0.4749 0.6201 0.6201 2.3398 2.3398 3.7485 3.7485 6.5347 6.5347 7.5282 7.5282 7.5974 7.5974 8.3910 8.3910 9.8675 9.8675 10.2170 10.2170 11.1219 11.1219 11.3169 11.3169 k =-0.0649 0.1170 0.1338 ( 3509 PWs) bands (ev): -26.9311 -26.9311 -9.7336 -9.7336 -8.6149 -8.6149 -8.5657 -8.5657 -1.5376 -1.5376 -0.9154 -0.9154 -0.6016 -0.6016 -0.4673 -0.4673 -0.4590 -0.4590 -0.0616 -0.0616 0.2199 0.2199 0.2413 0.2413 0.3960 0.3960 0.4821 0.4821 0.6308 0.6308 2.3361 2.3361 3.7432 3.7432 6.6470 6.6470 7.5034 7.5034 7.7048 7.7048 8.4237 8.4237 9.8132 9.8132 10.1545 10.1545 10.9968 10.9968 11.2273 11.2273 k =-0.0577 0.1040 0.1190 ( 3511 PWs) bands (ev): -26.9311 -26.9311 -9.7330 -9.7330 -8.6145 -8.6145 -8.5646 -8.5646 -1.5523 -1.5523 -0.9219 -0.9219 -0.6066 -0.6066 -0.4708 -0.4708 -0.4623 -0.4623 -0.0650 -0.0650 0.2225 0.2225 0.2425 0.2425 0.3977 0.3977 0.4886 0.4886 0.6405 0.6405 2.3318 2.3318 3.7380 3.7380 6.7588 6.7588 7.4728 7.4728 7.8233 7.8233 8.4543 8.4543 9.7590 9.7590 10.0806 10.0806 10.8730 10.8730 11.1529 11.1529 k =-0.0505 0.0910 0.1041 ( 3511 PWs) bands (ev): -26.9312 -26.9312 -9.7326 -9.7326 -8.6141 -8.6141 -8.5636 -8.5636 -1.5656 -1.5656 -0.9278 -0.9278 -0.6111 -0.6111 -0.4739 -0.4739 -0.4652 -0.4652 -0.0681 -0.0681 0.2248 0.2248 0.2439 0.2439 0.3992 0.3992 0.4945 0.4945 0.6492 0.6492 2.3274 2.3274 3.7332 3.7332 6.8685 6.8685 7.4449 7.4449 7.9434 7.9434 8.4827 8.4827 9.7040 9.7040 9.9976 9.9976 10.7534 10.7534 11.0936 11.0936 k =-0.0433 0.0780 0.0892 ( 3515 PWs) bands (ev): -26.9313 -26.9313 -9.7322 -9.7322 -8.6138 -8.6138 -8.5626 -8.5626 -1.5773 -1.5773 -0.9329 -0.9329 -0.6150 -0.6150 -0.4765 -0.4765 -0.4678 -0.4678 -0.0707 -0.0707 0.2266 0.2266 0.2453 0.2453 0.4006 0.4006 0.4996 0.4996 0.6569 0.6569 2.3230 2.3230 3.7288 3.7288 6.9737 6.9737 7.4208 7.4208 8.0626 8.0626 8.5089 8.5089 9.6474 9.6474 9.9092 9.9092 10.6415 10.6415 11.0479 11.0479 k =-0.0361 0.0650 0.0743 ( 3515 PWs) bands (ev): -26.9313 -26.9313 -9.7318 -9.7318 -8.6136 -8.6136 -8.5618 -8.5618 -1.5874 -1.5874 -0.9373 -0.9373 -0.6183 -0.6183 -0.4787 -0.4787 -0.4701 -0.4701 -0.0729 -0.0729 0.2281 0.2281 0.2467 0.2467 0.4017 0.4017 0.5041 0.5041 0.6635 0.6635 2.3189 2.3189 3.7249 3.7249 7.0714 7.0714 7.4009 7.4009 8.1783 8.1783 8.5330 8.5330 9.5887 9.5887 9.8202 9.8202 10.5404 10.5404 11.0137 11.0137 k =-0.0288 0.0520 0.0595 ( 3523 PWs) bands (ev): -26.9314 -26.9314 -9.7315 -9.7315 -8.6134 -8.6134 -8.5611 -8.5611 -1.5958 -1.5958 -0.9410 -0.9410 -0.6210 -0.6210 -0.4805 -0.4805 -0.4720 -0.4720 -0.0747 -0.0747 0.2292 0.2292 0.2480 0.2480 0.4027 0.4027 0.5077 0.5077 0.6690 0.6690 2.3153 2.3153 3.7216 3.7216 7.1581 7.1581 7.3859 7.3859 8.2866 8.2866 8.5558 8.5558 9.5282 9.5282 9.7360 9.7360 10.4536 10.4536 10.9888 10.9888 k =-0.0216 0.0390 0.0446 ( 3523 PWs) bands (ev): -26.9314 -26.9314 -9.7313 -9.7313 -8.6133 -8.6133 -8.5605 -8.5605 -1.6023 -1.6023 -0.9438 -0.9438 -0.6232 -0.6232 -0.4819 -0.4819 -0.4735 -0.4735 -0.0761 -0.0761 0.2301 0.2301 0.2491 0.2491 0.4034 0.4034 0.5106 0.5106 0.6732 0.6732 2.3123 2.3123 3.7190 3.7190 7.2288 7.2288 7.3772 7.3772 8.3810 8.3810 8.5791 8.5791 9.4678 9.4678 9.6622 9.6622 10.3838 10.3838 10.9713 10.9713 k =-0.0144 0.0260 0.0297 ( 3519 PWs) bands (ev): -26.9314 -26.9314 -9.7311 -9.7311 -8.6132 -8.6132 -8.5601 -8.5601 -1.6070 -1.6070 -0.9459 -0.9459 -0.6246 -0.6246 -0.4828 -0.4828 -0.4746 -0.4746 -0.0771 -0.0771 0.2307 0.2307 0.2499 0.2499 0.4040 0.4040 0.5127 0.5127 0.6763 0.6763 2.3101 2.3101 3.7171 3.7171 7.2770 7.2770 7.3772 7.3772 8.4515 8.4515 8.6056 8.6056 9.4128 9.4128 9.6043 9.6043 10.3329 10.3329 10.9598 10.9598 k =-0.0072 0.0130 0.0149 ( 3521 PWs) bands (ev): -26.9314 -26.9314 -9.7310 -9.7310 -8.6132 -8.6132 -8.5599 -8.5599 -1.6099 -1.6099 -0.9471 -0.9471 -0.6255 -0.6255 -0.4834 -0.4834 -0.4752 -0.4752 -0.0777 -0.0777 0.2310 0.2310 0.2505 0.2505 0.4043 0.4043 0.5139 0.5139 0.6782 0.6782 2.3087 2.3087 3.7160 3.7160 7.3000 7.3000 7.3849 7.3849 8.4908 8.4908 8.6324 8.6324 9.3721 9.3721 9.5672 9.5672 10.3021 10.3021 10.9533 10.9533 k = 0.0000 0.0000 0.0000 ( 3519 PWs) bands (ev): -26.9314 -26.9314 -9.7310 -9.7310 -8.6131 -8.6131 -8.5598 -8.5598 -1.6108 -1.6108 -0.9475 -0.9475 -0.6258 -0.6258 -0.4836 -0.4836 -0.4754 -0.4754 -0.0779 -0.0779 0.2312 0.2312 0.2507 0.2507 0.4044 0.4044 0.5144 0.5144 0.6788 0.6788 2.3083 2.3083 3.7156 3.7156 7.3057 7.3057 7.3898 7.3898 8.5025 8.5025 8.6446 8.6446 9.3568 9.3568 9.5544 9.5544 10.2918 10.2918 10.9512 10.9512 k = 0.0000 0.0000 0.0000 ( 3519 PWs) bands (ev): -26.9314 -26.9314 -9.7310 -9.7310 -8.6131 -8.6131 -8.5598 -8.5598 -1.6108 -1.6108 -0.9475 -0.9475 -0.6258 -0.6258 -0.4836 -0.4836 -0.4754 -0.4754 -0.0779 -0.0779 0.2312 0.2312 0.2507 0.2507 0.4044 0.4044 0.5144 0.5144 0.6788 0.6788 2.3083 2.3083 3.7156 3.7156 7.3057 7.3057 7.3898 7.3898 8.5025 8.5025 8.6446 8.6446 9.3568 9.3568 9.5544 9.5544 10.2918 10.2918 10.9512 10.9512 k = 0.0179 0.0099-0.0000 ( 3523 PWs) bands (ev): -26.9314 -26.9314 -9.7310 -9.7310 -8.6132 -8.6132 -8.5598 -8.5598 -1.6100 -1.6100 -0.9472 -0.9472 -0.6258 -0.6258 -0.4836 -0.4836 -0.4754 -0.4754 -0.0779 -0.0779 0.2311 0.2311 0.2507 0.2507 0.4044 0.4044 0.5143 0.5143 0.6788 0.6788 2.2966 2.2966 3.7295 3.7295 7.3037 7.3037 7.3870 7.3870 8.5075 8.5075 8.6489 8.6489 9.3341 9.3341 9.5801 9.5801 10.2830 10.2830 10.9591 10.9591 k = 0.0357 0.0198-0.0000 ( 3519 PWs) bands (ev): -26.9314 -26.9314 -9.7310 -9.7310 -8.6132 -8.6132 -8.5598 -8.5598 -1.6075 -1.6075 -0.9463 -0.9463 -0.6258 -0.6258 -0.4836 -0.4836 -0.4751 -0.4751 -0.0780 -0.0780 0.2311 0.2311 0.2507 0.2507 0.4042 0.4042 0.5143 0.5143 0.6786 0.6786 2.2630 2.2630 3.7701 3.7701 7.2978 7.2978 7.3790 7.3790 8.5223 8.5223 8.6616 8.6616 9.2847 9.2847 9.6381 9.6381 10.2580 10.2580 10.9813 10.9813 k = 0.0536 0.0297-0.0000 ( 3535 PWs) bands (ev): -26.9314 -26.9314 -9.7310 -9.7310 -8.6133 -8.6133 -8.5598 -8.5598 -1.6034 -1.6034 -0.9447 -0.9447 -0.6258 -0.6258 -0.4838 -0.4838 -0.4746 -0.4746 -0.0783 -0.0783 0.2311 0.2311 0.2506 0.2506 0.4040 0.4040 0.5143 0.5143 0.6784 0.6784 2.2107 2.2107 3.8338 3.8338 7.2882 7.2882 7.3661 7.3661 8.5464 8.5464 8.6825 8.6825 9.2278 9.2278 9.7097 9.7097 10.2203 10.2203 11.0138 11.0138 k = 0.0714 0.0396-0.0000 ( 3534 PWs) bands (ev): -26.9314 -26.9314 -9.7310 -9.7310 -8.6134 -8.6134 -8.5598 -8.5598 -1.5978 -1.5978 -0.9424 -0.9424 -0.6258 -0.6258 -0.4839 -0.4839 -0.4739 -0.4739 -0.0785 -0.0785 0.2310 0.2310 0.2506 0.2506 0.4038 0.4038 0.5143 0.5143 0.6782 0.6782 2.1439 2.1439 3.9168 3.9168 7.2754 7.2754 7.3491 7.3491 8.5790 8.5790 8.7111 8.7111 9.1697 9.1697 9.7882 9.7882 10.1735 10.1735 11.0517 11.0517 k = 0.0893 0.0495-0.0000 ( 3538 PWs) bands (ev): -26.9314 -26.9314 -9.7311 -9.7311 -8.6136 -8.6136 -8.5598 -8.5598 -1.5907 -1.5907 -0.9393 -0.9393 -0.6258 -0.6258 -0.4841 -0.4841 -0.4729 -0.4729 -0.0789 -0.0789 0.2309 0.2309 0.2506 0.2506 0.4034 0.4034 0.5143 0.5143 0.6778 0.6778 2.0664 2.0664 4.0150 4.0150 7.2597 7.2597 7.3286 7.3286 8.6195 8.6195 8.7469 8.7469 9.1127 9.1127 9.8715 9.8715 10.1208 10.1208 11.0902 11.0902 k = 0.1071 0.0594-0.0000 ( 3538 PWs) bands (ev): -26.9314 -26.9314 -9.7312 -9.7312 -8.6137 -8.6137 -8.5598 -8.5598 -1.5822 -1.5822 -0.9355 -0.9355 -0.6258 -0.6258 -0.4844 -0.4844 -0.4717 -0.4717 -0.0793 -0.0793 0.2309 0.2309 0.2505 0.2505 0.4030 0.4030 0.5142 0.5142 0.6774 0.6774 1.9816 1.9816 4.1252 4.1252 7.2418 7.2418 7.3055 7.3055 8.6669 8.6669 8.7890 8.7890 9.0578 9.0578 9.9588 9.9588 10.0647 10.0647 11.1245 11.1245 k = 0.1250 0.0693-0.0000 ( 3542 PWs) bands (ev): -26.9314 -26.9314 -9.7312 -9.7312 -8.6140 -8.6140 -8.5597 -8.5597 -1.5724 -1.5724 -0.9307 -0.9307 -0.6258 -0.6258 -0.4846 -0.4846 -0.4703 -0.4703 -0.0797 -0.0797 0.2308 0.2308 0.2505 0.2505 0.4025 0.4025 0.5142 0.5142 0.6769 0.6769 1.8918 1.8918 4.2451 4.2451 7.2222 7.2222 7.2806 7.2806 8.7203 8.7203 8.8364 8.8364 9.0058 9.0058 10.0068 10.0068 10.0496 10.0496 11.1492 11.1492 k = 0.1429 0.0792-0.0000 ( 3542 PWs) bands (ev): -26.9314 -26.9314 -9.7313 -9.7313 -8.6142 -8.6142 -8.5597 -8.5597 -1.5615 -1.5615 -0.9250 -0.9250 -0.6258 -0.6258 -0.4849 -0.4849 -0.4685 -0.4685 -0.0803 -0.0803 0.2306 0.2306 0.2505 0.2505 0.4019 0.4019 0.5141 0.5141 0.6762 0.6762 1.7990 1.7990 4.3728 4.3728 7.2013 7.2013 7.2544 7.2544 8.7790 8.7790 8.8850 8.8850 8.9603 8.9603 9.9483 9.9483 10.1437 10.1437 11.1586 11.1586 k = 0.1607 0.0891-0.0000 ( 3534 PWs) bands (ev): -26.9314 -26.9314 -9.7314 -9.7314 -8.6144 -8.6144 -8.5597 -8.5597 -1.5497 -1.5497 -0.9181 -0.9181 -0.6257 -0.6257 -0.4852 -0.4852 -0.4664 -0.4664 -0.0809 -0.0809 0.2305 0.2305 0.2504 0.2504 0.4013 0.4013 0.5141 0.5141 0.6753 0.6753 1.7045 1.7045 4.5070 4.5070 7.1796 7.1796 7.2276 7.2276 8.8423 8.8423 8.8926 8.8926 8.9633 8.9633 9.8899 9.8899 10.2411 10.2411 11.1458 11.1458 k = 0.1786 0.0990-0.0000 ( 3526 PWs) bands (ev): -26.9314 -26.9314 -9.7315 -9.7315 -8.6147 -8.6147 -8.5597 -8.5597 -1.5371 -1.5371 -0.9101 -0.9101 -0.6257 -0.6257 -0.4855 -0.4855 -0.4639 -0.4639 -0.0815 -0.0815 0.2302 0.2302 0.2504 0.2504 0.4007 0.4007 0.5141 0.5141 0.6743 0.6743 1.6093 1.6093 4.6468 4.6468 7.1576 7.1576 7.2007 7.2007 8.8530 8.8530 8.9095 8.9095 9.0203 9.0203 9.8323 9.8323 10.3415 10.3415 11.1045 11.1045 k = 0.1964 0.1089-0.0000 ( 3514 PWs) bands (ev): -26.9314 -26.9314 -9.7316 -9.7316 -8.6150 -8.6150 -8.5596 -8.5596 -1.5239 -1.5239 -0.9007 -0.9007 -0.6257 -0.6257 -0.4859 -0.4859 -0.4609 -0.4609 -0.0822 -0.0822 0.2300 0.2300 0.2504 0.2504 0.4001 0.4001 0.5140 0.5140 0.6730 0.6730 1.5143 1.5143 4.7914 4.7914 7.1355 7.1355 7.1740 7.1740 8.8110 8.8110 8.9800 8.9800 9.0859 9.0859 9.7757 9.7757 10.4451 10.4451 11.0311 11.0311 k = 0.2143 0.1188-0.0000 ( 3514 PWs) bands (ev): -26.9314 -26.9314 -9.7317 -9.7317 -8.6153 -8.6153 -8.5596 -8.5596 -1.5104 -1.5104 -0.8900 -0.8900 -0.6256 -0.6256 -0.4862 -0.4862 -0.4574 -0.4574 -0.0830 -0.0830 0.2296 0.2296 0.2503 0.2503 0.3994 0.3994 0.5140 0.5140 0.6714 0.6714 1.4203 1.4203 4.9402 4.9402 7.1137 7.1137 7.1479 7.1479 8.7708 8.7708 9.0532 9.0532 9.1556 9.1556 9.7203 9.7203 10.5516 10.5516 10.9260 10.9260 k = 0.2321 0.1287-0.0000 ( 3506 PWs) bands (ev): -26.9314 -26.9314 -9.7318 -9.7318 -8.6156 -8.6156 -8.5596 -8.5596 -1.4968 -1.4968 -0.8778 -0.8778 -0.6256 -0.6256 -0.4866 -0.4866 -0.4533 -0.4533 -0.0839 -0.0839 0.2291 0.2291 0.2503 0.2503 0.3988 0.3988 0.5139 0.5139 0.6693 0.6693 1.3277 1.3277 5.0929 5.0929 7.0924 7.0924 7.1227 7.1227 8.7329 8.7329 9.1286 9.1286 9.2283 9.2283 9.6662 9.6662 10.6611 10.6611 10.7942 10.7942 k = 0.2500 0.1386-0.0000 ( 3510 PWs) bands (ev): -26.9314 -26.9314 -9.7319 -9.7319 -8.6159 -8.6159 -8.5596 -8.5596 -1.4833 -1.4833 -0.8642 -0.8642 -0.6256 -0.6256 -0.4870 -0.4870 -0.4484 -0.4484 -0.0848 -0.0848 0.2285 0.2285 0.2502 0.2502 0.3981 0.3981 0.5139 0.5139 0.6666 0.6666 1.2372 1.2372 5.2491 5.2491 7.0718 7.0718 7.0985 7.0985 8.6973 8.6973 9.2054 9.2054 9.3033 9.3033 9.6130 9.6130 10.6426 10.6426 10.7736 10.7736 k = 0.2679 0.1485-0.0000 ( 3510 PWs) bands (ev): -26.9314 -26.9314 -9.7320 -9.7320 -8.6162 -8.6162 -8.5595 -8.5595 -1.4702 -1.4702 -0.8491 -0.8491 -0.6256 -0.6256 -0.4874 -0.4874 -0.4425 -0.4425 -0.0859 -0.0859 0.2277 0.2277 0.2501 0.2501 0.3974 0.3974 0.5138 0.5138 0.6629 0.6629 1.1496 1.1496 5.4086 5.4086 7.0522 7.0522 7.0755 7.0755 8.6643 8.6643 9.2830 9.2830 9.3800 9.3800 9.5604 9.5604 10.4782 10.4782 10.8889 10.8889 k = 0.2857 0.1584-0.0000 ( 3506 PWs) bands (ev): -26.9314 -26.9314 -9.7321 -9.7321 -8.6165 -8.6165 -8.5595 -8.5595 -1.4575 -1.4575 -0.8328 -0.8328 -0.6255 -0.6255 -0.4878 -0.4878 -0.4354 -0.4354 -0.0871 -0.0871 0.2268 0.2268 0.2501 0.2501 0.3967 0.3967 0.5138 0.5138 0.6578 0.6578 1.0656 1.0656 5.5711 5.5711 7.0336 7.0336 7.0539 7.0539 8.6337 8.6337 9.3595 9.3595 9.4577 9.4577 9.5081 9.5081 10.3072 10.3072 11.0071 11.0071 k = 0.3036 0.1683-0.0000 ( 3486 PWs) bands (ev): -26.9314 -26.9314 -9.7322 -9.7322 -8.6168 -8.6168 -8.5595 -8.5595 -1.4456 -1.4456 -0.8153 -0.8153 -0.6254 -0.6254 -0.4881 -0.4881 -0.4269 -0.4269 -0.0885 -0.0885 0.2255 0.2255 0.2501 0.2501 0.3960 0.3960 0.5137 0.5137 0.6503 0.6503 0.9866 0.9866 5.7364 5.7364 7.0162 7.0162 7.0338 7.0338 8.6056 8.6056 9.4179 9.4179 9.4700 9.4700 9.5360 9.5360 10.1360 10.1360 11.1281 11.1281 k = 0.3214 0.1782-0.0000 ( 3478 PWs) bands (ev): -26.9314 -26.9314 -9.7323 -9.7323 -8.6171 -8.6171 -8.5595 -8.5595 -1.4345 -1.4345 -0.7970 -0.7970 -0.6254 -0.6254 -0.4885 -0.4885 -0.4167 -0.4167 -0.0900 -0.0900 0.2239 0.2239 0.2500 0.2500 0.3953 0.3953 0.5137 0.5137 0.6390 0.6390 0.9146 0.9146 5.9043 5.9043 7.0000 7.0000 7.0152 7.0152 8.5801 8.5801 9.3749 9.3749 9.5240 9.5240 9.6139 9.6139 9.9721 9.9721 11.2517 11.2517 k = 0.3393 0.1881-0.0000 ( 3478 PWs) bands (ev): -26.9314 -26.9314 -9.7324 -9.7324 -8.6174 -8.6174 -8.5594 -8.5594 -1.4244 -1.4244 -0.7784 -0.7784 -0.6254 -0.6254 -0.4888 -0.4888 -0.4045 -0.4045 -0.0918 -0.0918 0.2217 0.2217 0.2500 0.2500 0.3947 0.3947 0.5136 0.5136 0.6213 0.6213 0.8526 0.8526 6.0746 6.0746 6.9852 6.9852 6.9983 6.9983 8.5569 8.5569 9.2963 9.2963 9.5941 9.5941 9.6906 9.6906 9.8264 9.8264 11.3779 11.3779 k = 0.3571 0.1980-0.0000 ( 3482 PWs) bands (ev): -26.9314 -26.9314 -9.7325 -9.7325 -8.6176 -8.6176 -8.5594 -8.5594 -1.4154 -1.4154 -0.7600 -0.7600 -0.6254 -0.6254 -0.4891 -0.4891 -0.3900 -0.3900 -0.0941 -0.0941 0.2187 0.2187 0.2499 0.2499 0.3941 0.3941 0.5136 0.5136 0.5943 0.5943 0.8042 0.8042 6.2469 6.2469 6.9718 6.9718 6.9831 6.9831 8.5363 8.5363 9.1923 9.1923 9.6414 9.6414 9.7287 9.7287 9.7652 9.7652 11.5066 11.5066 k = 0.3750 0.2079-0.0000 ( 3482 PWs) bands (ev): -26.9314 -26.9314 -9.7326 -9.7326 -8.6179 -8.6179 -8.5594 -8.5594 -1.4074 -1.4074 -0.7424 -0.7424 -0.6253 -0.6253 -0.4894 -0.4894 -0.3728 -0.3728 -0.0968 -0.0968 0.2148 0.2148 0.2499 0.2499 0.3936 0.3936 0.5135 0.5135 0.5575 0.5575 0.7707 0.7707 6.4211 6.4211 6.9599 6.9599 6.9696 6.9696 8.5181 8.5181 9.0600 9.0600 9.5907 9.5907 9.7568 9.7568 9.8366 9.8366 11.6375 11.6375 k = 0.3929 0.2178-0.0000 ( 3470 PWs) bands (ev): -26.9314 -26.9314 -9.7327 -9.7327 -8.6181 -8.6181 -8.5594 -8.5594 -1.4006 -1.4006 -0.7261 -0.7261 -0.6253 -0.6253 -0.4896 -0.4896 -0.3528 -0.3528 -0.1003 -0.1003 0.2095 0.2095 0.2498 0.2498 0.3931 0.3931 0.5134 0.5134 0.5146 0.5146 0.7497 0.7497 6.5965 6.5965 6.9494 6.9494 6.9580 6.9580 8.5024 8.5024 8.9046 8.9046 9.5309 9.5309 9.8167 9.8167 9.9033 9.9033 11.7703 11.7703 k = 0.4107 0.2277-0.0000 ( 3450 PWs) bands (ev): -26.9314 -26.9314 -9.7327 -9.7327 -8.6183 -8.6183 -8.5594 -8.5594 -1.3948 -1.3948 -0.7117 -0.7117 -0.6253 -0.6253 -0.4899 -0.4899 -0.3303 -0.3303 -0.1049 -0.1049 0.2025 0.2025 0.2499 0.2499 0.3927 0.3927 0.4711 0.4711 0.5135 0.5135 0.7369 0.7369 6.7724 6.7724 6.9405 6.9405 6.9482 6.9482 8.4891 8.4891 8.7353 8.7353 9.4872 9.4872 9.8738 9.8738 9.9640 9.9640 11.9045 11.9045 k = 0.4286 0.2376-0.0000 ( 3458 PWs) bands (ev): -26.9314 -26.9314 -9.7328 -9.7328 -8.6184 -8.6184 -8.5593 -8.5593 -1.3902 -1.3902 -0.6996 -0.6996 -0.6252 -0.6252 -0.4901 -0.4901 -0.3057 -0.3057 -0.1109 -0.1109 0.1934 0.1934 0.2498 0.2498 0.3923 0.3923 0.4320 0.4320 0.5135 0.5135 0.7289 0.7289 6.9320 6.9320 6.9363 6.9363 6.9529 6.9529 8.4782 8.4782 8.5600 8.5600 9.4558 9.4558 9.9241 9.9241 10.0170 10.0170 12.0390 12.0390 k = 0.4464 0.2475-0.0000 ( 3466 PWs) bands (ev): -26.9314 -26.9314 -9.7328 -9.7328 -8.6185 -8.6185 -8.5593 -8.5593 -1.3866 -1.3866 -0.6900 -0.6900 -0.6252 -0.6252 -0.4903 -0.4903 -0.2803 -0.2803 -0.1186 -0.1186 0.1828 0.1828 0.2498 0.2498 0.3920 0.3920 0.4006 0.4006 0.5135 0.5135 0.7240 0.7240 6.9273 6.9273 6.9332 6.9332 7.1207 7.1207 8.3854 8.3854 8.4697 8.4697 9.4336 9.4336 9.9654 9.9654 10.0607 10.0607 12.1710 12.1710 k = 0.4643 0.2574-0.0000 ( 3474 PWs) bands (ev): -26.9314 -26.9314 -9.7328 -9.7328 -8.6186 -8.6186 -8.5593 -8.5593 -1.3840 -1.3840 -0.6832 -0.6832 -0.6252 -0.6252 -0.4905 -0.4905 -0.2561 -0.2561 -0.1279 -0.1279 0.1721 0.1721 0.2498 0.2498 0.3783 0.3783 0.3917 0.3917 0.5134 0.5134 0.7209 0.7209 6.9231 6.9231 6.9289 6.9289 7.2831 7.2831 8.2198 8.2198 8.4637 8.4637 9.4187 9.4187 9.9963 9.9963 10.0933 10.0933 12.2916 12.2916 k = 0.4821 0.2673-0.0000 ( 3466 PWs) bands (ev): -26.9314 -26.9314 -9.7329 -9.7329 -8.6187 -8.6187 -8.5593 -8.5593 -1.3825 -1.3825 -0.6790 -0.6790 -0.6251 -0.6251 -0.4905 -0.4905 -0.2368 -0.2368 -0.1370 -0.1370 0.1640 0.1640 0.2498 0.2498 0.3654 0.3654 0.3916 0.3916 0.5134 0.5134 0.7193 0.7193 6.9206 6.9206 6.9262 6.9262 7.4185 7.4185 8.0821 8.0821 8.4601 8.4601 9.4102 9.4102 10.0153 10.0153 10.1135 10.1135 12.3673 12.3673 k = 0.5000 0.2772-0.0000 ( 3478 PWs) bands (ev): -26.9314 -26.9314 -9.7329 -9.7329 -8.6187 -8.6187 -8.5593 -8.5593 -1.3820 -1.3820 -0.6776 -0.6776 -0.6251 -0.6251 -0.4906 -0.4906 -0.2290 -0.2290 -0.1413 -0.1413 0.1609 0.1609 0.2498 0.2498 0.3612 0.3612 0.3916 0.3916 0.5134 0.5134 0.7187 0.7187 6.9198 6.9198 6.9254 6.9254 7.4787 7.4787 8.0211 8.0211 8.4589 8.4589 9.4073 9.4073 10.0218 10.0218 10.1203 10.1203 12.3818 12.3818 k = 0.5000 0.2772-0.0000 ( 3478 PWs) bands (ev): -26.9314 -26.9314 -9.7329 -9.7329 -8.6187 -8.6187 -8.5593 -8.5593 -1.3820 -1.3820 -0.6776 -0.6776 -0.6251 -0.6251 -0.4906 -0.4906 -0.2290 -0.2290 -0.1413 -0.1413 0.1609 0.1609 0.2498 0.2498 0.3612 0.3612 0.3916 0.3916 0.5134 0.5134 0.7187 0.7187 6.9198 6.9198 6.9254 6.9254 7.4787 7.4787 8.0211 8.0211 8.4589 8.4589 9.4073 9.4073 10.0218 10.0218 10.1203 10.1203 12.3818 12.3818 k = 0.4929 0.2900 0.0145 ( 3478 PWs) bands (ev): -26.9314 -26.9314 -9.7329 -9.7329 -8.6187 -8.6187 -8.5594 -8.5594 -1.3816 -1.3816 -0.6774 -0.6774 -0.6249 -0.6249 -0.4903 -0.4903 -0.2311 -0.2311 -0.1384 -0.1384 0.1602 0.1602 0.2503 0.2503 0.3617 0.3617 0.3918 0.3918 0.5134 0.5134 0.7182 0.7182 6.9039 6.9039 6.9238 6.9238 7.4791 7.4791 8.0182 8.0182 8.4714 8.4714 9.4165 9.4165 10.0205 10.0205 10.1190 10.1190 12.2887 12.2887 k = 0.4859 0.3027 0.0291 ( 3474 PWs) bands (ev): -26.9314 -26.9314 -9.7330 -9.7330 -8.6187 -8.6187 -8.5596 -8.5596 -1.3804 -1.3804 -0.6766 -0.6766 -0.6240 -0.6240 -0.4896 -0.4896 -0.2367 -0.2367 -0.1306 -0.1306 0.1583 0.1583 0.2519 0.2519 0.3631 0.3631 0.3924 0.3924 0.5134 0.5134 0.7165 0.7165 6.8517 6.8517 6.9258 6.9258 7.4802 7.4802 8.0094 8.0094 8.5064 8.5064 9.4443 9.4443 10.0164 10.0164 10.1155 10.1155 12.1444 12.1444 k = 0.4788 0.3154 0.0436 ( 3478 PWs) bands (ev): -26.9313 -26.9313 -9.7331 -9.7331 -8.6188 -8.6188 -8.5600 -8.5600 -1.3783 -1.3783 -0.6753 -0.6753 -0.6226 -0.6226 -0.4884 -0.4884 -0.2445 -0.2445 -0.1192 -0.1192 0.1554 0.1554 0.2541 0.2541 0.3652 0.3652 0.3936 0.3936 0.5135 0.5135 0.7136 0.7136 6.7709 6.7709 6.9297 6.9297 7.4815 7.4815 7.9947 7.9947 8.5576 8.5576 9.4912 9.4912 10.0086 10.0086 10.1115 10.1115 11.9930 11.9930 k = 0.4718 0.3281 0.0582 ( 3472 PWs) bands (ev): -26.9313 -26.9313 -9.7333 -9.7333 -8.6189 -8.6189 -8.5605 -8.5605 -1.3755 -1.3755 -0.6737 -0.6737 -0.6205 -0.6205 -0.4867 -0.4867 -0.2533 -0.2533 -0.1054 -0.1054 0.1518 0.1518 0.2566 0.2566 0.3678 0.3678 0.3958 0.3958 0.5137 0.5137 0.7097 0.7097 6.6687 6.6687 6.9351 6.9351 7.4829 7.4829 7.9739 7.9739 8.6175 8.6175 9.5579 9.5579 9.9965 9.9965 10.1087 10.1087 11.8418 11.8418 k = 0.4647 0.3408 0.0727 ( 3472 PWs) bands (ev): -26.9313 -26.9313 -9.7336 -9.7336 -8.6190 -8.6190 -8.5612 -8.5612 -1.3718 -1.3718 -0.6717 -0.6717 -0.6177 -0.6177 -0.4846 -0.4846 -0.2625 -0.2625 -0.0899 -0.0899 0.1477 0.1477 0.2592 0.2592 0.3702 0.3702 0.3994 0.3994 0.5141 0.5141 0.7047 0.7047 6.5512 6.5512 6.9420 6.9420 7.4842 7.4842 7.9471 7.9471 8.6800 8.6800 9.6442 9.6442 9.9805 9.9805 10.1082 10.1082 11.6934 11.6934 k = 0.4577 0.3536 0.0873 ( 3478 PWs) bands (ev): -26.9312 -26.9312 -9.7339 -9.7339 -8.6191 -8.6191 -8.5620 -8.5620 -1.3674 -1.3674 -0.6696 -0.6696 -0.6141 -0.6141 -0.4821 -0.4821 -0.2714 -0.2714 -0.0732 -0.0732 0.1436 0.1436 0.2614 0.2614 0.3722 0.3722 0.4048 0.4048 0.5147 0.5147 0.6987 0.6987 6.4233 6.4233 6.9504 6.9504 7.4852 7.4852 7.9141 7.9141 8.7410 8.7410 9.7490 9.7490 9.9617 9.9617 10.1103 10.1103 11.5491 11.5491 k = 0.4506 0.3663 0.1018 ( 3492 PWs) bands (ev): -26.9312 -26.9312 -9.7343 -9.7343 -8.6193 -8.6193 -8.5629 -8.5629 -1.3623 -1.3623 -0.6674 -0.6674 -0.6098 -0.6098 -0.4791 -0.4791 -0.2801 -0.2801 -0.0556 -0.0556 0.1394 0.1394 0.2632 0.2632 0.3734 0.3734 0.4122 0.4122 0.5159 0.5159 0.6917 0.6917 6.2885 6.2885 6.9601 6.9601 7.4856 7.4856 7.8750 7.8750 8.7989 8.7989 9.8696 9.8696 9.9420 9.9420 10.1147 10.1147 11.4098 11.4098 k = 0.4436 0.3790 0.1163 ( 3484 PWs) bands (ev): -26.9311 -26.9311 -9.7347 -9.7347 -8.6195 -8.6195 -8.5639 -8.5639 -1.3565 -1.3565 -0.6653 -0.6653 -0.6046 -0.6046 -0.4756 -0.4756 -0.2881 -0.2881 -0.0375 -0.0375 0.1356 0.1356 0.2645 0.2645 0.3738 0.3738 0.4212 0.4212 0.5176 0.5176 0.6841 0.6841 6.1494 6.1494 6.9710 6.9710 7.4853 7.4853 7.8298 7.8298 8.8534 8.8534 9.9212 9.9212 10.0050 10.0050 10.1211 10.1211 11.2764 11.2764 k = 0.4365 0.3917 0.1309 ( 3484 PWs) bands (ev): -26.9311 -26.9311 -9.7352 -9.7352 -8.6198 -8.6198 -8.5650 -8.5650 -1.3500 -1.3500 -0.6634 -0.6634 -0.5986 -0.5986 -0.4717 -0.4717 -0.2955 -0.2955 -0.0190 -0.0190 0.1322 0.1322 0.2651 0.2651 0.3737 0.3737 0.4316 0.4316 0.5201 0.5201 0.6759 0.6759 6.0080 6.0080 6.9832 6.9832 7.4839 7.4839 7.7786 7.7786 8.9053 8.9053 9.9040 9.9040 10.1268 10.1268 10.1501 10.1501 11.1503 11.1503 k = 0.4295 0.4044 0.1454 ( 3482 PWs) bands (ev): -26.9310 -26.9310 -9.7357 -9.7357 -8.6201 -8.6201 -8.5661 -8.5661 -1.3429 -1.3429 -0.6617 -0.6617 -0.5918 -0.5918 -0.4675 -0.4675 -0.3022 -0.3022 -0.0004 -0.0004 0.1294 0.1294 0.2652 0.2652 0.3730 0.3730 0.4430 0.4430 0.5235 0.5235 0.6673 0.6673 5.8658 5.8658 6.9965 6.9965 7.4811 7.4811 7.7217 7.7217 8.9553 8.9553 9.8895 9.8895 10.1368 10.1368 10.2970 10.2970 11.0338 11.0338 k = 0.4224 0.4171 0.1600 ( 3486 PWs) bands (ev): -26.9309 -26.9309 -9.7362 -9.7362 -8.6206 -8.6206 -8.5672 -8.5672 -1.3353 -1.3353 -0.6604 -0.6604 -0.5842 -0.5842 -0.4629 -0.4629 -0.3080 -0.3080 0.0177 0.0177 0.1274 0.1274 0.2648 0.2648 0.3720 0.3720 0.4550 0.4550 0.5279 0.5279 0.6587 0.6587 5.7238 5.7238 7.0108 7.0108 7.4765 7.4765 7.6597 7.6597 9.0045 9.0045 9.8788 9.8788 10.1462 10.1462 10.4417 10.4417 10.9331 10.9331 k = 0.4154 0.4299 0.1745 ( 3482 PWs) bands (ev): -26.9308 -26.9308 -9.7368 -9.7368 -8.6211 -8.6211 -8.5684 -8.5684 -1.3272 -1.3272 -0.6593 -0.6593 -0.5760 -0.5760 -0.4581 -0.4581 -0.3130 -0.3130 0.0349 0.0349 0.1266 0.1266 0.2639 0.2639 0.3705 0.3705 0.4676 0.4676 0.5330 0.5330 0.6506 0.6506 5.5830 5.5830 7.0260 7.0260 7.4693 7.4693 7.5931 7.5931 9.0537 9.0537 9.8724 9.8724 10.1559 10.1559 10.5585 10.5585 10.8711 10.8711 k = 0.4083 0.4426 0.1891 ( 3474 PWs) bands (ev): -26.9307 -26.9307 -9.7374 -9.7374 -8.6216 -8.6216 -8.5695 -8.5695 -1.3186 -1.3186 -0.6586 -0.6586 -0.5672 -0.5672 -0.4531 -0.4531 -0.3170 -0.3170 0.0504 0.0504 0.1274 0.1274 0.2625 0.2625 0.3688 0.3688 0.4805 0.4805 0.5384 0.5384 0.6439 0.6439 5.4440 5.4440 7.0421 7.0421 7.4575 7.4575 7.5242 7.5242 9.1033 9.1033 9.8706 9.8706 10.1656 10.1656 10.5848 10.5848 10.9087 10.9087 k = 0.4013 0.4553 0.2036 ( 3478 PWs) bands (ev): -26.9307 -26.9307 -9.7381 -9.7381 -8.6223 -8.6223 -8.5707 -8.5707 -1.3097 -1.3097 -0.6581 -0.6581 -0.5579 -0.5579 -0.4480 -0.4480 -0.3199 -0.3199 0.0632 0.0632 0.1305 0.1305 0.2607 0.2607 0.3666 0.3666 0.4935 0.4935 0.5435 0.5435 0.6396 0.6396 5.3074 5.3074 7.0588 7.0588 7.4266 7.4266 7.4677 7.4677 9.1539 9.1539 9.8736 9.8736 10.1747 10.1747 10.5323 10.5323 11.0330 11.0330 k = 0.3942 0.4680 0.2181 ( 3478 PWs) bands (ev): -26.9306 -26.9306 -9.7388 -9.7388 -8.6231 -8.6231 -8.5717 -8.5717 -1.3005 -1.3005 -0.6580 -0.6580 -0.5482 -0.5482 -0.4430 -0.4430 -0.3218 -0.3218 0.0724 0.0724 0.1362 0.1362 0.2586 0.2586 0.3641 0.3641 0.5056 0.5056 0.5487 0.5487 0.6389 0.6389 5.1739 5.1739 7.0761 7.0761 7.3572 7.3572 7.4431 7.4431 9.2057 9.2057 9.8813 9.8813 10.1829 10.1829 10.4617 10.4617 11.1815 11.1815 k = 0.3872 0.4807 0.2327 ( 3478 PWs) bands (ev): -26.9305 -26.9305 -9.7395 -9.7395 -8.6240 -8.6240 -8.5727 -8.5727 -1.2910 -1.2910 -0.6582 -0.6582 -0.5382 -0.5382 -0.4382 -0.4382 -0.3225 -0.3225 0.0781 0.0781 0.1444 0.1444 0.2562 0.2562 0.3613 0.3613 0.5132 0.5132 0.5568 0.5568 0.6425 0.6425 5.0438 5.0438 7.0937 7.0937 7.2769 7.2769 7.4231 7.4231 9.2590 9.2590 9.8935 9.8935 10.1895 10.1895 10.3926 10.3926 11.3325 11.3326 k = 0.3801 0.4935 0.2472 ( 3484 PWs) bands (ev): -26.9304 -26.9304 -9.7402 -9.7402 -8.6249 -8.6249 -8.5737 -8.5737 -1.2813 -1.2813 -0.6586 -0.6586 -0.5280 -0.5280 -0.4336 -0.4336 -0.3221 -0.3221 0.0809 0.0809 0.1539 0.1539 0.2537 0.2537 0.3581 0.3581 0.5130 0.5130 0.5718 0.5718 0.6501 0.6501 4.9176 4.9176 7.1111 7.1111 7.1938 7.1938 7.4006 7.4006 9.3138 9.3138 9.9100 9.9100 10.1937 10.1937 10.3303 10.3303 11.4711 11.4711 k = 0.3731 0.5062 0.2618 ( 3480 PWs) bands (ev): -26.9303 -26.9303 -9.7409 -9.7409 -8.6259 -8.6259 -8.5745 -8.5745 -1.2716 -1.2716 -0.6593 -0.6593 -0.5176 -0.5176 -0.4293 -0.4293 -0.3203 -0.3203 0.0818 0.0818 0.1635 0.1635 0.2513 0.2513 0.3546 0.3546 0.5065 0.5065 0.5934 0.5934 0.6607 0.6607 4.7957 4.7957 7.1009 7.1009 7.1362 7.1362 7.3746 7.3746 9.3703 9.3703 9.9304 9.9304 10.1941 10.1941 10.2777 10.2777 11.5443 11.5443 k = 0.3660 0.5189 0.2763 ( 3480 PWs) bands (ev): -26.9302 -26.9302 -9.7416 -9.7416 -8.6271 -8.6271 -8.5753 -8.5753 -1.2618 -1.2618 -0.6602 -0.6602 -0.5073 -0.5073 -0.4255 -0.4255 -0.3173 -0.3173 0.0813 0.0813 0.1722 0.1722 0.2492 0.2492 0.3508 0.3508 0.4962 0.4962 0.6194 0.6194 0.6735 0.6735 4.6785 4.6785 7.0168 7.0168 7.1512 7.1512 7.3450 7.3450 9.4284 9.4284 9.9542 9.9542 10.1880 10.1880 10.2380 10.2380 11.5562 11.5562 k = 0.3590 0.5316 0.2909 ( 3476 PWs) bands (ev): -26.9301 -26.9301 -9.7423 -9.7423 -8.6282 -8.6282 -8.5759 -8.5759 -1.2521 -1.2521 -0.6613 -0.6613 -0.4970 -0.4970 -0.4221 -0.4221 -0.3131 -0.3131 0.0797 0.0797 0.1798 0.1798 0.2475 0.2475 0.3468 0.3468 0.4840 0.4840 0.6477 0.6477 0.6890 0.6890 4.5664 4.5664 6.9285 6.9285 7.1690 7.1690 7.3120 7.3120 9.4881 9.4881 9.9804 9.9804 10.1726 10.1726 10.2142 10.2142 11.5428 11.5428 k = 0.3519 0.5443 0.3054 ( 3472 PWs) bands (ev): -26.9300 -26.9300 -9.7430 -9.7430 -8.6294 -8.6294 -8.5765 -8.5765 -1.2425 -1.2425 -0.6627 -0.6627 -0.4869 -0.4869 -0.4191 -0.4191 -0.3078 -0.3078 0.0771 0.0771 0.1859 0.1859 0.2465 0.2465 0.3426 0.3426 0.4705 0.4705 0.6735 0.6735 0.7107 0.7107 4.4598 4.4598 6.8395 6.8395 7.1853 7.1853 7.2771 7.2771 9.5491 9.5491 10.0075 10.0075 10.1553 10.1553 10.1997 10.1997 11.4881 11.4881 k = 0.3449 0.5570 0.3199 ( 3472 PWs) bands (ev): -26.9299 -26.9299 -9.7437 -9.7437 -8.6307 -8.6307 -8.5770 -8.5770 -1.2331 -1.2331 -0.6642 -0.6642 -0.4771 -0.4771 -0.4165 -0.4165 -0.3014 -0.3014 0.0734 0.0734 0.1908 0.1908 0.2463 0.2463 0.3382 0.3382 0.4563 0.4563 0.6918 0.6918 0.7429 0.7429 4.3589 4.3589 6.7505 6.7505 7.1926 7.1926 7.2478 7.2478 9.6113 9.6113 10.0316 10.0316 10.1468 10.1468 10.1864 10.1864 11.4265 11.4265 k = 0.3378 0.5698 0.3345 ( 3476 PWs) bands (ev): -26.9298 -26.9298 -9.7444 -9.7444 -8.6320 -8.6320 -8.5774 -8.5774 -1.2241 -1.2241 -0.6659 -0.6659 -0.4677 -0.4677 -0.4142 -0.4142 -0.2940 -0.2940 0.0687 0.0687 0.1947 0.1947 0.2470 0.2470 0.3336 0.3336 0.4418 0.4418 0.7040 0.7040 0.7833 0.7833 4.2642 4.2642 6.6618 6.6618 7.1694 7.1694 7.2459 7.2459 9.6743 9.6743 10.0456 10.0456 10.1537 10.1537 10.1740 10.1740 11.3667 11.3667 k = 0.3307 0.5825 0.3490 ( 3481 PWs) bands (ev): -26.9297 -26.9297 -9.7450 -9.7450 -8.6332 -8.6332 -8.5777 -8.5777 -1.2154 -1.2154 -0.6677 -0.6677 -0.4588 -0.4588 -0.4123 -0.4123 -0.2859 -0.2859 0.0627 0.0627 0.1980 0.1980 0.2483 0.2483 0.3290 0.3290 0.4271 0.4271 0.7127 0.7127 0.8285 0.8285 4.1760 4.1760 6.5738 6.5738 7.1263 7.1263 7.2610 7.2610 9.7378 9.7378 10.0430 10.0430 10.1649 10.1649 10.1790 10.1790 11.3101 11.3101 k = 0.3237 0.5952 0.3636 ( 3479 PWs) bands (ev): -26.9297 -26.9297 -9.7456 -9.7456 -8.6344 -8.6344 -8.5780 -8.5780 -1.2071 -1.2071 -0.6697 -0.6697 -0.4504 -0.4504 -0.4105 -0.4105 -0.2770 -0.2770 0.0555 0.0555 0.2013 0.2013 0.2502 0.2502 0.3243 0.3243 0.4124 0.4124 0.7186 0.7186 0.8775 0.8775 4.0945 4.0945 6.4870 6.4870 7.0772 7.0772 7.2800 7.2800 9.8012 9.8012 10.0225 10.0225 10.1689 10.1689 10.2137 10.2137 11.2575 11.2575 k = 0.3166 0.6079 0.3781 ( 3477 PWs) bands (ev): -26.9296 -26.9296 -9.7462 -9.7462 -8.6356 -8.6356 -8.5782 -8.5782 -1.1994 -1.1994 -0.6719 -0.6719 -0.4426 -0.4426 -0.4089 -0.4089 -0.2676 -0.2676 0.0472 0.0472 0.2048 0.2048 0.2526 0.2526 0.3196 0.3196 0.3979 0.3979 0.7217 0.7217 0.9296 0.9296 4.0200 4.0200 6.4015 6.4015 7.0252 7.0252 7.3002 7.3002 9.8640 9.8640 9.9865 9.9865 10.1859 10.1859 10.2546 10.2546 11.2094 11.2094 k = 0.3096 0.6206 0.3926 ( 3483 PWs) bands (ev): -26.9295 -26.9295 -9.7467 -9.7467 -8.6367 -8.6367 -8.5783 -8.5783 -1.1923 -1.1923 -0.6742 -0.6742 -0.4356 -0.4356 -0.4075 -0.4075 -0.2578 -0.2578 0.0379 0.0379 0.2088 0.2088 0.2552 0.2552 0.3149 0.3149 0.3836 0.3836 0.7219 0.7219 0.9842 0.9842 3.9528 3.9528 6.3178 6.3178 6.9714 6.9714 7.3211 7.3211 9.9254 9.9254 9.9387 9.9387 10.2151 10.2151 10.2986 10.2986 11.1663 11.1663 k = 0.3025 0.6334 0.4072 ( 3487 PWs) bands (ev): -26.9295 -26.9295 -9.7472 -9.7472 -8.6377 -8.6377 -8.5784 -8.5784 -1.1858 -1.1858 -0.6767 -0.6767 -0.4294 -0.4294 -0.4063 -0.4063 -0.2479 -0.2479 0.0278 0.0278 0.2135 0.2135 0.2579 0.2579 0.3102 0.3102 0.3697 0.3697 0.7191 0.7191 1.0413 1.0413 3.8929 3.8929 6.2362 6.2362 6.9167 6.9167 7.3425 7.3425 9.8818 9.8818 9.9851 9.9851 10.2550 10.2550 10.3436 10.3436 11.1292 11.1292 k = 0.2955 0.6461 0.4217 ( 3487 PWs) bands (ev): -26.9294 -26.9294 -9.7476 -9.7476 -8.6386 -8.6386 -8.5785 -8.5785 -1.1801 -1.1801 -0.6793 -0.6793 -0.4239 -0.4239 -0.4052 -0.4052 -0.2381 -0.2381 0.0172 0.0172 0.2189 0.2189 0.2609 0.2609 0.3055 0.3055 0.3562 0.3562 0.7132 0.7132 1.1004 1.1004 3.8404 3.8404 6.1569 6.1569 6.8619 6.8619 7.3644 7.3644 9.8177 9.8177 10.0429 10.0429 10.3042 10.3042 10.3882 10.3882 11.0992 11.0992 k = 0.2884 0.6588 0.4363 ( 3483 PWs) bands (ev): -26.9294 -26.9294 -9.7480 -9.7480 -8.6394 -8.6394 -8.5785 -8.5785 -1.1751 -1.1751 -0.6821 -0.6821 -0.4193 -0.4193 -0.4041 -0.4041 -0.2287 -0.2287 0.0065 0.0065 0.2250 0.2250 0.2639 0.2639 0.3010 0.3010 0.3432 0.3432 0.7042 0.7042 1.1614 1.1614 3.7953 3.7953 6.0802 6.0802 6.8074 6.8074 7.3868 7.3868 9.7477 9.7477 10.0990 10.0990 10.3606 10.3606 10.4310 10.4310 11.0778 11.0778 k = 0.2884 0.6588 0.4363 ( 3483 PWs) bands (ev): -26.9294 -26.9294 -9.7480 -9.7480 -8.6394 -8.6394 -8.5785 -8.5785 -1.1751 -1.1751 -0.6821 -0.6821 -0.4193 -0.4193 -0.4041 -0.4041 -0.2287 -0.2287 0.0065 0.0065 0.2250 0.2250 0.2639 0.2639 0.3010 0.3010 0.3432 0.3432 0.7042 0.7042 1.1614 1.1614 3.7953 3.7953 6.0802 6.0802 6.8074 6.8074 7.3868 7.3868 9.7477 9.7477 10.0990 10.0990 10.3606 10.3606 10.4310 10.4310 11.0778 11.0778 k = 0.2692 0.6542 0.4416 ( 3490 PWs) bands (ev): -26.9293 -26.9293 -9.7481 -9.7481 -8.6397 -8.6397 -8.5786 -8.5786 -1.1736 -1.1736 -0.6834 -0.6834 -0.4178 -0.4178 -0.4038 -0.4038 -0.2255 -0.2255 0.0026 0.0026 0.2274 0.2274 0.2650 0.2650 0.2993 0.2993 0.3387 0.3387 0.6991 0.6991 1.1856 1.1856 3.7834 3.7834 6.0309 6.0309 6.8114 6.8114 7.3955 7.3955 9.7190 9.7190 10.0944 10.0944 10.3345 10.3345 10.5002 10.5002 11.0938 11.0938 k = 0.2500 0.6496 0.4468 ( 3485 PWs) bands (ev): -26.9293 -26.9293 -9.7482 -9.7482 -8.6399 -8.6399 -8.5786 -8.5786 -1.1722 -1.1722 -0.6848 -0.6848 -0.4165 -0.4165 -0.4034 -0.4034 -0.2226 -0.2226 -0.0012 -0.0012 0.2299 0.2299 0.2662 0.2662 0.2978 0.2978 0.3342 0.3342 0.6923 0.6923 1.2123 1.2123 3.7778 3.7778 5.9458 5.9458 6.8544 6.8544 7.4052 7.4052 9.6867 9.6867 10.0373 10.0373 10.3196 10.3196 10.5695 10.5695 11.1581 11.1581 k = 0.2307 0.6449 0.4521 ( 3482 PWs) bands (ev): -26.9293 -26.9293 -9.7483 -9.7483 -8.6402 -8.6402 -8.5786 -8.5786 -1.1710 -1.1710 -0.6865 -0.6865 -0.4153 -0.4153 -0.4032 -0.4032 -0.2199 -0.2199 -0.0051 -0.0051 0.2325 0.2325 0.2674 0.2674 0.2962 0.2962 0.3298 0.3298 0.6845 0.6845 1.2403 1.2403 3.7789 3.7789 5.8390 5.8390 6.9227 6.9227 7.4155 7.4155 9.6518 9.6518 9.9441 9.9441 10.3298 10.3298 10.6109 10.6109 11.2672 11.2672 k = 0.2115 0.6403 0.4574 ( 3483 PWs) bands (ev): -26.9293 -26.9293 -9.7484 -9.7484 -8.6404 -8.6404 -8.5786 -8.5786 -1.1699 -1.1699 -0.6883 -0.6883 -0.4142 -0.4142 -0.4029 -0.4029 -0.2174 -0.2174 -0.0088 -0.0088 0.2352 0.2352 0.2687 0.2687 0.2947 0.2947 0.3256 0.3256 0.6763 0.6763 1.2686 1.2686 3.7868 3.7868 5.7212 5.7212 7.0057 7.0057 7.4264 7.4264 9.6149 9.6149 9.8358 9.8358 10.3501 10.3501 10.6322 10.6322 11.4072 11.4072 k = 0.1923 0.6357 0.4627 ( 3480 PWs) bands (ev): -26.9293 -26.9293 -9.7485 -9.7485 -8.6406 -8.6406 -8.5786 -8.5786 -1.1690 -1.1690 -0.6902 -0.6902 -0.4131 -0.4131 -0.4027 -0.4027 -0.2151 -0.2151 -0.0124 -0.0124 0.2380 0.2380 0.2699 0.2699 0.2932 0.2932 0.3214 0.3214 0.6681 0.6681 1.2962 1.2962 3.8017 3.8017 5.5986 5.5986 7.0973 7.0973 7.4375 7.4375 9.5745 9.5745 9.7241 9.7241 10.3729 10.3729 10.6436 10.6436 11.5600 11.5600 k = 0.1731 0.6311 0.4680 ( 3483 PWs) bands (ev): -26.9293 -26.9293 -9.7485 -9.7485 -8.6407 -8.6407 -8.5786 -8.5786 -1.1681 -1.1681 -0.6921 -0.6921 -0.4122 -0.4122 -0.4026 -0.4026 -0.2130 -0.2130 -0.0159 -0.0159 0.2408 0.2408 0.2712 0.2712 0.2916 0.2916 0.3174 0.3174 0.6602 0.6602 1.3225 1.3225 3.8235 3.8235 5.4749 5.4749 7.1939 7.1939 7.4488 7.4488 9.5226 9.5226 9.6224 9.6224 10.3948 10.3948 10.6519 10.6519 11.5655 11.5655 k = 0.1538 0.6264 0.4733 ( 3483 PWs) bands (ev): -26.9293 -26.9293 -9.7486 -9.7486 -8.6409 -8.6409 -8.5786 -8.5786 -1.1674 -1.1674 -0.6940 -0.6940 -0.4113 -0.4113 -0.4025 -0.4025 -0.2111 -0.2111 -0.0191 -0.0191 0.2437 0.2437 0.2724 0.2724 0.2901 0.2901 0.3136 0.3136 0.6529 0.6529 1.3469 1.3469 3.8521 3.8521 5.3523 5.3523 7.2929 7.2929 7.4604 7.4604 9.4387 9.4387 9.5540 9.5540 10.4137 10.4137 10.6608 10.6608 11.5283 11.5283 k = 0.1346 0.6218 0.4785 ( 3484 PWs) bands (ev): -26.9293 -26.9293 -9.7486 -9.7486 -8.6410 -8.6410 -8.5785 -8.5785 -1.1668 -1.1668 -0.6959 -0.6959 -0.4105 -0.4105 -0.4025 -0.4025 -0.2094 -0.2094 -0.0220 -0.0220 0.2467 0.2467 0.2736 0.2736 0.2886 0.2886 0.3099 0.3099 0.6463 0.6463 1.3691 1.3691 3.8874 3.8874 5.2325 5.2325 7.3909 7.3909 7.4734 7.4734 9.3311 9.3311 9.5130 9.5130 10.4288 10.4288 10.6718 10.6718 11.4946 11.4946 k = 0.1154 0.6172 0.4838 ( 3485 PWs) bands (ev): -26.9293 -26.9293 -9.7487 -9.7487 -8.6411 -8.6411 -8.5785 -8.5785 -1.1662 -1.1662 -0.6976 -0.6976 -0.4097 -0.4097 -0.4025 -0.4025 -0.2078 -0.2078 -0.0246 -0.0246 0.2496 0.2496 0.2747 0.2747 0.2872 0.2872 0.3064 0.3064 0.6405 0.6405 1.3888 1.3888 3.9287 3.9287 5.1168 5.1168 7.4645 7.4645 7.5098 7.5098 9.2190 9.2190 9.4823 9.4823 10.4397 10.4397 10.6852 10.6852 11.4650 11.4650 k = 0.0961 0.6126 0.4891 ( 3493 PWs) bands (ev): -26.9292 -26.9292 -9.7487 -9.7487 -8.6412 -8.6412 -8.5785 -8.5785 -1.1658 -1.1658 -0.6991 -0.6991 -0.4091 -0.4091 -0.4026 -0.4026 -0.2065 -0.2065 -0.0270 -0.0270 0.2525 0.2525 0.2755 0.2755 0.2861 0.2861 0.3031 0.3031 0.6355 0.6355 1.4056 1.4056 3.9752 3.9752 5.0067 5.0067 7.4821 7.4821 7.5989 7.5989 9.1093 9.1093 9.4571 9.4571 10.4471 10.4471 10.7001 10.7001 11.4397 11.4397 k = 0.0769 0.6080 0.4944 ( 3495 PWs) bands (ev): -26.9292 -26.9292 -9.7488 -9.7488 -8.6413 -8.6413 -8.5785 -8.5785 -1.1655 -1.1655 -0.7004 -0.7004 -0.4085 -0.4085 -0.4027 -0.4027 -0.2054 -0.2054 -0.0289 -0.0289 0.2553 0.2553 0.2757 0.2757 0.2855 0.2855 0.3001 0.3001 0.6313 0.6313 1.4196 1.4196 4.0254 4.0254 4.9041 4.9041 7.4910 7.4910 7.6908 7.6908 9.0060 9.0060 9.4366 9.4366 10.4516 10.4516 10.7150 10.7150 11.4190 11.4190 k = 0.0577 0.6033 0.4997 ( 3492 PWs) bands (ev): -26.9292 -26.9292 -9.7488 -9.7488 -8.6413 -8.6413 -8.5785 -8.5785 -1.1652 -1.1652 -0.7014 -0.7014 -0.4080 -0.4080 -0.4028 -0.4028 -0.2045 -0.2045 -0.0304 -0.0304 0.2580 0.2580 0.2752 0.2752 0.2857 0.2857 0.2972 0.2972 0.6281 0.6281 1.4305 1.4305 4.0768 4.0768 4.8118 4.8118 7.4974 7.4974 7.7752 7.7752 8.9131 8.9131 9.4205 9.4205 10.4542 10.4542 10.7284 10.7284 11.4028 11.4028 k = 0.0385 0.5987 0.5050 ( 3498 PWs) bands (ev): -26.9292 -26.9292 -9.7488 -9.7488 -8.6414 -8.6414 -8.5785 -8.5785 -1.1650 -1.1650 -0.7022 -0.7022 -0.4076 -0.4076 -0.4029 -0.4029 -0.2039 -0.2039 -0.0315 -0.0315 0.2605 0.2605 0.2741 0.2741 0.2866 0.2866 0.2947 0.2947 0.6258 0.6258 1.4383 1.4383 4.1247 4.1247 4.7346 4.7346 7.5020 7.5020 7.8456 7.8456 8.8366 8.8366 9.4089 9.4089 10.4555 10.4555 10.7391 10.7391 11.3912 11.3912 k = 0.0192 0.5941 0.5102 ( 3492 PWs) bands (ev): -26.9292 -26.9292 -9.7488 -9.7488 -8.6414 -8.6414 -8.5785 -8.5785 -1.1649 -1.1649 -0.7026 -0.7026 -0.4073 -0.4073 -0.4030 -0.4030 -0.2035 -0.2035 -0.0322 -0.0322 0.2624 0.2624 0.2729 0.2729 0.2879 0.2879 0.2925 0.2925 0.6244 0.6244 1.4430 1.4430 4.1610 4.1610 4.6807 4.6807 7.5048 7.5048 7.8938 7.8938 8.7848 8.7848 9.4019 9.4019 10.4561 10.4561 10.7459 10.7459 11.3842 11.3842 k = 0.0000 0.5895 0.5155 ( 3490 PWs) bands (ev): -26.9292 -26.9292 -9.7488 -9.7488 -8.6414 -8.6414 -8.5785 -8.5785 -1.1649 -1.1649 -0.7028 -0.7028 -0.4072 -0.4072 -0.4030 -0.4030 -0.2033 -0.2033 -0.0324 -0.0324 0.2632 0.2632 0.2723 0.2723 0.2889 0.2889 0.2912 0.2912 0.6240 0.6240 1.4446 1.4446 4.1750 4.1750 4.6608 4.6608 7.5057 7.5057 7.9112 7.9112 8.7662 8.7662 9.3995 9.3995 10.4563 10.4563 10.7482 10.7482 11.3818 11.3818 k = 0.0000 0.5895 0.5155 ( 3490 PWs) bands (ev): -26.9292 -26.9292 -9.7488 -9.7488 -8.6414 -8.6414 -8.5785 -8.5785 -1.1649 -1.1649 -0.7028 -0.7028 -0.4072 -0.4072 -0.4030 -0.4030 -0.2033 -0.2033 -0.0324 -0.0324 0.2632 0.2632 0.2723 0.2723 0.2889 0.2889 0.2912 0.2912 0.6240 0.6240 1.4446 1.4446 4.1750 4.1750 4.6608 4.6608 7.5057 7.5057 7.9112 7.9112 8.7662 8.7662 9.3995 9.3995 10.4563 10.4563 10.7482 10.7482 11.3818 11.3818 k = 0.0071 0.5766 0.5303 ( 3492 PWs) bands (ev): -26.9292 -26.9292 -9.7488 -9.7488 -8.6414 -8.6414 -8.5786 -8.5786 -1.1650 -1.1650 -0.7028 -0.7028 -0.4081 -0.4081 -0.4027 -0.4027 -0.2031 -0.2031 -0.0320 -0.0320 0.2609 0.2609 0.2727 0.2727 0.2896 0.2896 0.2928 0.2928 0.6242 0.6242 1.4456 1.4456 4.1756 4.1756 4.6619 4.6619 7.5005 7.5005 7.9085 7.9085 8.7630 8.7630 9.3744 9.3744 10.4882 10.4882 10.7525 10.7525 11.3847 11.3847 k = 0.0143 0.5637 0.5450 ( 3492 PWs) bands (ev): -26.9292 -26.9292 -9.7489 -9.7489 -8.6413 -8.6413 -8.5789 -8.5789 -1.1653 -1.1653 -0.7029 -0.7029 -0.4102 -0.4102 -0.4024 -0.4024 -0.2024 -0.2024 -0.0305 -0.0305 0.2559 0.2559 0.2725 0.2725 0.2923 0.2923 0.2967 0.2967 0.6249 0.6249 1.4489 1.4489 4.1772 4.1772 4.6654 4.6654 7.4852 7.4852 7.9004 7.9004 8.7519 8.7519 9.3086 9.3086 10.5753 10.5753 10.7652 10.7652 11.3932 11.3932 k = 0.0214 0.5508 0.5597 ( 3496 PWs) bands (ev): -26.9292 -26.9292 -9.7490 -9.7490 -8.6411 -8.6411 -8.5794 -8.5794 -1.1660 -1.1660 -0.7031 -0.7031 -0.4131 -0.4131 -0.4025 -0.4025 -0.2012 -0.2012 -0.0282 -0.0282 0.2502 0.2502 0.2711 0.2711 0.2961 0.2961 0.3020 0.3020 0.6261 0.6261 1.4543 1.4543 4.1800 4.1800 4.6712 4.6712 7.4602 7.4602 7.8870 7.8870 8.7290 8.7290 9.2230 9.2230 10.7004 10.7004 10.7863 10.7863 11.4072 11.4072 k = 0.0286 0.5380 0.5744 ( 3490 PWs) bands (ev): -26.9292 -26.9292 -9.7491 -9.7491 -8.6408 -8.6408 -8.5800 -8.5800 -1.1668 -1.1668 -0.7033 -0.7033 -0.4165 -0.4165 -0.4032 -0.4032 -0.1995 -0.1995 -0.0249 -0.0249 0.2443 0.2443 0.2693 0.2693 0.3004 0.3004 0.3085 0.3085 0.6278 0.6278 1.4619 1.4619 4.1838 4.1838 4.6792 4.6792 7.4262 7.4262 7.8683 7.8683 8.6869 8.6869 9.1389 9.1389 10.8090 10.8090 10.8554 10.8554 11.4266 11.4266 k = 0.0357 0.5251 0.5892 ( 3492 PWs) bands (ev): -26.9291 -26.9291 -9.7493 -9.7493 -8.6405 -8.6405 -8.5808 -8.5808 -1.1679 -1.1679 -0.7036 -0.7036 -0.4204 -0.4204 -0.4044 -0.4044 -0.1975 -0.1975 -0.0209 -0.0209 0.2385 0.2385 0.2673 0.2673 0.3050 0.3050 0.3154 0.3154 0.6298 0.6298 1.4716 1.4716 4.1888 4.1888 4.6894 4.6894 7.3841 7.3841 7.8443 7.8443 8.6178 8.6178 9.0730 9.0730 10.8446 10.8446 11.0191 11.0191 11.4510 11.4510 k = 0.0429 0.5122 0.6039 ( 3494 PWs) bands (ev): -26.9291 -26.9291 -9.7495 -9.7495 -8.6401 -8.6401 -8.5818 -8.5818 -1.1692 -1.1692 -0.7041 -0.7041 -0.4246 -0.4246 -0.4062 -0.4062 -0.1949 -0.1949 -0.0161 -0.0161 0.2328 0.2328 0.2654 0.2654 0.3098 0.3098 0.3228 0.3228 0.6324 0.6324 1.4834 1.4834 4.1948 4.1948 4.7015 4.7015 7.3350 7.3350 7.8154 7.8154 8.5206 8.5206 9.0314 9.0314 10.8832 10.8832 11.1948 11.1948 11.4800 11.4800 k = 0.0500 0.4993 0.6186 ( 3492 PWs) bands (ev): -26.9290 -26.9290 -9.7497 -9.7497 -8.6397 -8.6397 -8.5829 -8.5829 -1.1707 -1.1707 -0.7047 -0.7047 -0.4290 -0.4290 -0.4086 -0.4086 -0.1919 -0.1919 -0.0106 -0.0106 0.2273 0.2273 0.2636 0.2636 0.3150 0.3150 0.3303 0.3303 0.6352 0.6352 1.4973 1.4973 4.2019 4.2019 4.7155 4.7155 7.2798 7.2798 7.7816 7.7816 8.4029 8.4029 9.0097 9.0097 10.9254 10.9254 11.3769 11.3769 11.5137 11.5137 k = 0.0571 0.4864 0.6334 ( 3494 PWs) bands (ev): -26.9290 -26.9290 -9.7499 -9.7499 -8.6392 -8.6392 -8.5842 -8.5842 -1.1724 -1.1724 -0.7054 -0.7054 -0.4337 -0.4337 -0.4115 -0.4115 -0.1885 -0.1885 -0.0045 -0.0045 0.2221 0.2221 0.2620 0.2620 0.3203 0.3203 0.3379 0.3379 0.6385 0.6385 1.5132 1.5132 4.2102 4.2102 4.7312 4.7312 7.2194 7.2194 7.7435 7.7435 8.2734 8.2734 9.0009 9.0009 10.9701 10.9701 11.5382 11.5382 11.5763 11.5763 k = 0.0643 0.4735 0.6481 ( 3490 PWs) bands (ev): -26.9289 -26.9289 -9.7502 -9.7502 -8.6387 -8.6387 -8.5857 -8.5857 -1.1742 -1.1742 -0.7063 -0.7063 -0.4384 -0.4384 -0.4149 -0.4149 -0.1846 -0.1846 0.0020 0.0020 0.2171 0.2171 0.2605 0.2605 0.3260 0.3260 0.3456 0.3456 0.6421 0.6421 1.5312 1.5312 4.2195 4.2195 4.7483 4.7483 7.1549 7.1549 7.7013 7.7013 8.1386 8.1386 8.9998 8.9998 11.0165 11.0165 11.5840 11.5840 11.7598 11.7598 k = 0.0714 0.4607 0.6628 ( 3488 PWs) bands (ev): -26.9288 -26.9288 -9.7505 -9.7505 -8.6381 -8.6381 -8.5872 -8.5872 -1.1763 -1.1763 -0.7075 -0.7075 -0.4433 -0.4433 -0.4187 -0.4187 -0.1803 -0.1803 0.0089 0.0089 0.2124 0.2124 0.2591 0.2591 0.3318 0.3318 0.3533 0.3533 0.6460 0.6460 1.5511 1.5511 4.2299 4.2299 4.7665 4.7665 7.0870 7.0870 7.6555 7.6555 8.0025 8.0025 9.0031 9.0031 11.0635 11.0635 11.6239 11.6239 11.9525 11.9525 k = 0.0786 0.4478 0.6776 ( 3484 PWs) bands (ev): -26.9288 -26.9288 -9.7509 -9.7509 -8.6374 -8.6374 -8.5889 -8.5889 -1.1785 -1.1785 -0.7088 -0.7088 -0.4481 -0.4481 -0.4228 -0.4228 -0.1755 -0.1755 0.0162 0.0162 0.2081 0.2081 0.2579 0.2579 0.3379 0.3379 0.3609 0.3609 0.6501 0.6501 1.5729 1.5729 4.2414 4.2414 4.7856 4.7856 7.0166 7.0166 7.6063 7.6063 7.8679 7.8679 9.0088 9.0088 11.1106 11.1106 11.6635 11.6635 12.1408 12.1408 k = 0.0857 0.4349 0.6923 ( 3482 PWs) bands (ev): -26.9287 -26.9287 -9.7512 -9.7512 -8.6367 -8.6367 -8.5906 -8.5906 -1.1808 -1.1808 -0.7104 -0.7104 -0.4530 -0.4530 -0.4273 -0.4273 -0.1704 -0.1704 0.0236 0.0236 0.2041 0.2041 0.2567 0.2567 0.3442 0.3442 0.3685 0.3685 0.6545 0.6545 1.5966 1.5966 4.2540 4.2540 4.8051 4.8051 6.9443 6.9443 7.5537 7.5537 7.7368 7.7368 9.0154 9.0154 11.1571 11.1571 11.7019 11.7019 12.0678 12.0678 k = 0.0929 0.4220 0.7070 ( 3490 PWs) bands (ev): -26.9286 -26.9286 -9.7516 -9.7516 -8.6360 -8.6360 -8.5925 -8.5925 -1.1832 -1.1832 -0.7122 -0.7122 -0.4578 -0.4578 -0.4320 -0.4320 -0.1647 -0.1647 0.0311 0.0311 0.2004 0.2004 0.2556 0.2556 0.3506 0.3506 0.3759 0.3759 0.6590 0.6590 1.6221 1.6221 4.2676 4.2676 4.8246 4.8246 6.8708 6.8708 7.4966 7.4966 7.6122 7.6122 9.0218 9.0218 11.2026 11.2026 11.7377 11.7377 11.9576 11.9576 k = 0.1000 0.4091 0.7217 ( 3494 PWs) bands (ev): -26.9285 -26.9285 -9.7520 -9.7520 -8.6353 -8.6353 -8.5944 -8.5944 -1.1858 -1.1858 -0.7143 -0.7143 -0.4626 -0.4626 -0.4369 -0.4369 -0.1587 -0.1587 0.0386 0.0386 0.1971 0.1971 0.2547 0.2547 0.3572 0.3572 0.3832 0.3832 0.6637 0.6637 1.6493 1.6493 4.2823 4.2823 4.8437 4.8437 6.7965 6.7965 7.4292 7.4292 7.5015 7.5015 9.0270 9.0270 11.2468 11.2468 11.7673 11.7673 11.8563 11.8563 k = 0.1071 0.3963 0.7365 ( 3486 PWs) bands (ev): -26.9284 -26.9284 -9.7524 -9.7524 -8.6345 -8.6345 -8.5964 -8.5964 -1.1884 -1.1884 -0.7165 -0.7165 -0.4673 -0.4673 -0.4420 -0.4420 -0.1522 -0.1522 0.0460 0.0460 0.1941 0.1941 0.2538 0.2538 0.3640 0.3640 0.3903 0.3903 0.6685 0.6685 1.6780 1.6780 4.2979 4.2979 4.8616 4.8616 6.7221 6.7221 7.3389 7.3389 7.4187 7.4187 9.0301 9.0301 11.2894 11.2894 11.7409 11.7409 11.8151 11.8151 k = 0.1143 0.3834 0.7512 ( 3482 PWs) bands (ev): -26.9283 -26.9283 -9.7528 -9.7528 -8.6337 -8.6337 -8.5983 -8.5983 -1.1910 -1.1910 -0.7189 -0.7189 -0.4718 -0.4718 -0.4471 -0.4471 -0.1454 -0.1454 0.0533 0.0533 0.1916 0.1916 0.2529 0.2529 0.3708 0.3708 0.3973 0.3973 0.6733 0.6733 1.7083 1.7083 4.3146 4.3146 4.8779 4.8779 6.6478 6.6478 7.2360 7.2360 7.3549 7.3549 9.0302 9.0302 11.3302 11.3302 11.6568 11.6568 11.8366 11.8366 k = 0.1214 0.3705 0.7659 ( 3484 PWs) bands (ev): -26.9282 -26.9282 -9.7533 -9.7533 -8.6329 -8.6329 -8.6004 -8.6004 -1.1937 -1.1937 -0.7214 -0.7214 -0.4763 -0.4763 -0.4523 -0.4523 -0.1383 -0.1383 0.0604 0.0604 0.1893 0.1893 0.2521 0.2521 0.3777 0.3777 0.4040 0.4040 0.6782 0.6782 1.7399 1.7399 4.3322 4.3322 4.8917 4.8917 6.5742 6.5742 7.1356 7.1356 7.2964 7.2964 9.0266 9.0266 11.3690 11.3690 11.5779 11.5779 11.8592 11.8592 k = 0.1286 0.3576 0.7807 ( 3476 PWs) bands (ev): -26.9281 -26.9281 -9.7537 -9.7537 -8.6322 -8.6322 -8.6024 -8.6024 -1.1964 -1.1964 -0.7241 -0.7241 -0.4805 -0.4805 -0.4576 -0.4576 -0.1308 -0.1308 0.0671 0.0671 0.1875 0.1875 0.2512 0.2512 0.3846 0.3846 0.4105 0.4105 0.6832 0.6832 1.7727 1.7727 4.3507 4.3507 4.9025 4.9025 6.5016 6.5016 7.0420 7.0420 7.2399 7.2399 9.0184 9.0184 11.4052 11.4052 11.5092 11.5092 11.8791 11.8791 k = 0.1357 0.3447 0.7954 ( 3478 PWs) bands (ev): -26.9280 -26.9280 -9.7541 -9.7541 -8.6314 -8.6314 -8.6043 -8.6043 -1.1991 -1.1991 -0.7268 -0.7268 -0.4847 -0.4847 -0.4628 -0.4628 -0.1231 -0.1231 0.0734 0.0734 0.1861 0.1861 0.2504 0.2504 0.3915 0.3915 0.4167 0.4167 0.6880 0.6880 1.8066 1.8066 4.3701 4.3701 4.9094 4.9094 6.4302 6.4302 6.9572 6.9572 7.1850 7.1850 9.0050 9.0050 11.4330 11.4330 11.4578 11.4578 11.8961 11.8961 k = 0.1429 0.3318 0.8101 ( 3474 PWs) bands (ev): -26.9279 -26.9279 -9.7546 -9.7546 -8.6306 -8.6306 -8.6063 -8.6063 -1.2017 -1.2017 -0.7296 -0.7296 -0.4886 -0.4886 -0.4679 -0.4679 -0.1152 -0.1152 0.0792 0.0792 0.1851 0.1851 0.2495 0.2495 0.3982 0.3982 0.4226 0.4226 0.6929 0.6929 1.8413 1.8413 4.3902 4.3902 4.9119 4.9119 6.3605 6.3605 6.8821 6.8821 7.1317 7.1317 8.9862 8.9862 11.4016 11.4016 11.4750 11.4750 11.9107 11.9107 k = 0.1500 0.3190 0.8249 ( 3478 PWs) bands (ev): -26.9279 -26.9279 -9.7550 -9.7550 -8.6298 -8.6298 -8.6082 -8.6082 -1.2043 -1.2043 -0.7325 -0.7325 -0.4924 -0.4924 -0.4729 -0.4729 -0.1072 -0.1072 0.0845 0.0845 0.1845 0.1845 0.2486 0.2486 0.4049 0.4049 0.4282 0.4282 0.6976 0.6976 1.8766 1.8766 4.4109 4.4109 4.9093 4.9093 6.2926 6.2926 6.8175 6.8175 7.0801 7.0801 8.9618 8.9618 11.3684 11.3684 11.5036 11.5036 11.9232 11.9232 k = 0.1571 0.3061 0.8396 ( 3478 PWs) bands (ev): -26.9278 -26.9278 -9.7554 -9.7554 -8.6291 -8.6291 -8.6101 -8.6101 -1.2068 -1.2068 -0.7353 -0.7353 -0.4960 -0.4960 -0.4778 -0.4778 -0.0991 -0.0991 0.0892 0.0892 0.1844 0.1844 0.2476 0.2476 0.4114 0.4114 0.4335 0.4335 0.7022 0.7022 1.9123 1.9123 4.4322 4.4322 4.9016 4.9016 6.2269 6.2269 6.7638 6.7638 7.0307 7.0307 8.9320 8.9320 11.3467 11.3467 11.5301 11.5301 11.9342 11.9342 k = 0.1643 0.2932 0.8543 ( 3480 PWs) bands (ev): -26.9277 -26.9277 -9.7559 -9.7559 -8.6284 -8.6284 -8.6118 -8.6118 -1.2093 -1.2093 -0.7381 -0.7381 -0.4994 -0.4994 -0.4825 -0.4825 -0.0911 -0.0911 0.0933 0.0933 0.1847 0.1847 0.2466 0.2466 0.4177 0.4177 0.4383 0.4383 0.7066 0.7066 1.9479 1.9479 4.4539 4.4539 4.8885 4.8885 6.1637 6.1637 6.7209 6.7209 6.9835 6.9835 8.8972 8.8972 11.3367 11.3367 11.5539 11.5539 11.9440 11.9440 k = 0.1714 0.2803 0.8690 ( 3486 PWs) bands (ev): -26.9276 -26.9276 -9.7563 -9.7563 -8.6277 -8.6277 -8.6135 -8.6135 -1.2116 -1.2116 -0.7407 -0.7407 -0.5025 -0.5025 -0.4870 -0.4870 -0.0832 -0.0832 0.0967 0.0967 0.1855 0.1855 0.2454 0.2454 0.4236 0.4236 0.4428 0.4428 0.7108 0.7108 1.9833 1.9833 4.4758 4.4758 4.8705 4.8705 6.1032 6.1032 6.6885 6.6885 6.9391 6.9391 8.8582 8.8582 11.3380 11.3380 11.5748 11.5748 11.9530 11.9530 k = 0.1786 0.2674 0.8838 ( 3480 PWs) bands (ev): -26.9275 -26.9275 -9.7566 -9.7566 -8.6270 -8.6270 -8.6151 -8.6151 -1.2137 -1.2137 -0.7433 -0.7433 -0.5054 -0.5054 -0.4912 -0.4912 -0.0755 -0.0755 0.0994 0.0994 0.1868 0.1868 0.2443 0.2443 0.4294 0.4294 0.4470 0.4470 0.7148 0.7148 2.0181 2.0181 4.4977 4.4977 4.8481 4.8481 6.0458 6.0458 6.6659 6.6659 6.8975 6.8975 8.8160 8.8160 11.3495 11.3495 11.5930 11.5930 11.9615 11.9615 k = 0.1857 0.2546 0.8985 ( 3484 PWs) bands (ev): -26.9275 -26.9275 -9.7570 -9.7570 -8.6264 -8.6264 -8.6166 -8.6166 -1.2158 -1.2158 -0.7457 -0.7457 -0.5080 -0.5080 -0.4952 -0.4952 -0.0681 -0.0681 0.1015 0.1015 0.1883 0.1883 0.2430 0.2430 0.4347 0.4347 0.4507 0.4507 0.7185 0.7185 2.0517 2.0517 4.5194 4.5194 4.8225 4.8225 5.9918 5.9918 6.6521 6.6521 6.8591 6.8591 8.7717 8.7717 11.3703 11.3703 11.6084 11.6084 11.9697 11.9697 k = 0.1929 0.2417 0.9132 ( 3486 PWs) bands (ev): -26.9274 -26.9274 -9.7573 -9.7573 -8.6259 -8.6259 -8.6179 -8.6179 -1.2176 -1.2176 -0.7479 -0.7479 -0.5103 -0.5103 -0.4989 -0.4989 -0.0611 -0.0611 0.1030 0.1030 0.1902 0.1902 0.2417 0.2417 0.4397 0.4397 0.4539 0.4539 0.7219 0.7219 2.0838 2.0838 4.5405 4.5405 4.7946 4.7946 5.9416 5.9416 6.6458 6.6458 6.8241 6.8241 8.7267 8.7267 11.3989 11.3989 11.6213 11.6213 11.9774 11.9774 k = 0.2000 0.2288 0.9280 ( 3482 PWs) bands (ev): -26.9273 -26.9273 -9.7576 -9.7576 -8.6254 -8.6254 -8.6191 -8.6191 -1.2193 -1.2193 -0.7499 -0.7499 -0.5123 -0.5123 -0.5023 -0.5023 -0.0546 -0.0546 0.1040 0.1040 0.1924 0.1924 0.2403 0.2403 0.4442 0.4442 0.4567 0.4567 0.7250 0.7250 2.1138 2.1138 4.5606 4.5606 4.7659 4.7659 5.8956 5.8956 6.6454 6.6454 6.7928 6.7928 8.6824 8.6824 11.4339 11.4339 11.6319 11.6319 11.9848 11.9848 k = 0.2071 0.2159 0.9427 ( 3478 PWs) bands (ev): -26.9273 -26.9273 -9.7579 -9.7579 -8.6250 -8.6250 -8.6201 -8.6201 -1.2207 -1.2207 -0.7517 -0.7517 -0.5140 -0.5140 -0.5053 -0.5053 -0.0486 -0.0486 0.1046 0.1046 0.1946 0.1946 0.2389 0.2389 0.4484 0.4484 0.4591 0.4591 0.7278 0.7278 2.1413 2.1413 4.5795 4.5795 4.7376 4.7376 5.8542 5.8542 6.6493 6.6493 6.7653 6.7653 8.6401 8.6401 11.4735 11.4735 11.6405 11.6405 11.9917 11.9917 k = 0.2143 0.2030 0.9574 ( 3480 PWs) bands (ev): -26.9272 -26.9272 -9.7581 -9.7581 -8.6247 -8.6247 -8.6210 -8.6210 -1.2220 -1.2220 -0.7533 -0.7533 -0.5153 -0.5153 -0.5080 -0.5080 -0.0433 -0.0433 0.1048 0.1048 0.1969 0.1969 0.2375 0.2375 0.4520 0.4520 0.4610 0.4610 0.7302 0.7302 2.1657 2.1657 4.5966 4.5966 4.7111 4.7111 5.8180 5.8180 6.6560 6.6560 6.7418 6.7418 8.6013 8.6013 11.5154 11.5154 11.6474 11.6474 11.9980 11.9980 k = 0.2214 0.1902 0.9721 ( 3486 PWs) bands (ev): -26.9272 -26.9272 -9.7583 -9.7583 -8.6245 -8.6245 -8.6216 -8.6216 -1.2231 -1.2231 -0.7546 -0.7546 -0.5164 -0.5164 -0.5104 -0.5104 -0.0389 -0.0389 0.1049 0.1049 0.1990 0.1990 0.2361 0.2361 0.4552 0.4552 0.4624 0.4624 0.7322 0.7322 2.1866 2.1866 4.6114 4.6114 4.6876 4.6876 5.7875 5.7875 6.6638 6.6638 6.7226 6.7226 8.5674 8.5674 11.5570 11.5570 11.6529 11.6529 12.0036 12.0036 k = 0.2286 0.1773 0.9869 ( 3488 PWs) bands (ev): -26.9272 -26.9272 -9.7584 -9.7584 -8.6244 -8.6244 -8.6221 -8.6221 -1.2239 -1.2239 -0.7556 -0.7556 -0.5171 -0.5171 -0.5123 -0.5123 -0.0353 -0.0353 0.1048 0.1048 0.2009 0.2009 0.2348 0.2348 0.4578 0.4578 0.4633 0.4633 0.7337 0.7337 2.2033 2.2033 4.6235 4.6235 4.6683 4.6683 5.7630 5.7630 6.6711 6.6711 6.7079 6.7079 8.5395 8.5395 11.5948 11.5948 11.6577 11.6577 12.0082 12.0082 k = 0.2357 0.1644 1.0016 ( 3496 PWs) bands (ev): -26.9271 -26.9271 -9.7585 -9.7585 -8.6243 -8.6243 -8.6224 -8.6224 -1.2245 -1.2245 -0.7563 -0.7563 -0.5175 -0.5175 -0.5138 -0.5138 -0.0327 -0.0327 0.1047 0.1047 0.2024 0.2024 0.2338 0.2338 0.4600 0.4600 0.4637 0.4637 0.7348 0.7348 2.2156 2.2156 4.6323 4.6323 4.6540 4.6540 5.7452 5.7452 6.6764 6.6764 6.6983 6.6983 8.5187 8.5187 11.6243 11.6243 11.6628 11.6628 12.0117 12.0117 k = 0.2429 0.1515 1.0163 ( 3498 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6244 -8.6244 -8.6225 -8.6225 -1.2248 -1.2248 -0.7568 -0.7568 -0.5176 -0.5176 -0.5148 -0.5148 -0.0311 -0.0311 0.1045 0.1045 0.2034 0.2034 0.2331 0.2331 0.4615 0.4615 0.4637 0.4637 0.7355 0.7355 2.2232 2.2232 4.6369 4.6369 4.6460 4.6460 5.7343 5.7343 6.6782 6.6782 6.6941 6.6941 8.5059 8.5059 11.6407 11.6407 11.6691 11.6691 12.0140 12.0140 k = 0.2500 0.1386 1.0311 ( 3496 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6244 -8.6244 -8.6226 -8.6226 -1.2250 -1.2250 -0.7569 -0.7569 -0.5176 -0.5176 -0.5152 -0.5152 -0.0305 -0.0305 0.1045 0.1045 0.2037 0.2037 0.2329 0.2329 0.4622 0.4622 0.4636 0.4636 0.7358 0.7358 2.2257 2.2257 4.6373 4.6373 4.6444 4.6444 5.7307 5.7307 6.6783 6.6783 6.6934 6.6934 8.5016 8.5016 11.6451 11.6451 11.6727 11.6727 12.0147 12.0147 k = 0.2500 0.1386 1.0311 ( 3496 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6244 -8.6244 -8.6226 -8.6226 -1.2250 -1.2250 -0.7569 -0.7569 -0.5176 -0.5176 -0.5152 -0.5152 -0.0305 -0.0305 0.1045 0.1045 0.2037 0.2037 0.2329 0.2329 0.4622 0.4622 0.4636 0.4636 0.7358 0.7358 2.2257 2.2257 4.6373 4.6373 4.6444 4.6444 5.7307 5.7307 6.6783 6.6783 6.6934 6.6934 8.5016 8.5016 11.6451 11.6451 11.6727 11.6727 12.0147 12.0147 k = 0.2656 0.1473 1.0212 ( 3492 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6244 -8.6244 -8.6225 -8.6225 -1.2250 -1.2250 -0.7567 -0.7567 -0.5175 -0.5175 -0.5152 -0.5152 -0.0306 -0.0306 0.1045 0.1045 0.2037 0.2037 0.2329 0.2329 0.4621 0.4621 0.4636 0.4636 0.7355 0.7355 2.2254 2.2254 4.6288 4.6288 4.6536 4.6536 5.7300 5.7300 6.6433 6.6433 6.7292 6.7292 8.5070 8.5070 11.5493 11.5493 11.7671 11.7671 11.9855 11.9855 k = 0.2812 0.1560 1.0112 ( 3490 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6245 -8.6245 -8.6224 -8.6224 -1.2251 -1.2251 -0.7563 -0.7563 -0.5174 -0.5174 -0.5150 -0.5150 -0.0310 -0.0310 0.1045 0.1045 0.2035 0.2035 0.2331 0.2331 0.4617 0.4617 0.4637 0.4637 0.7348 0.7348 2.2244 2.2244 4.6192 4.6192 4.6659 4.6659 5.7275 5.7275 6.6011 6.6011 6.7741 6.7741 8.5231 8.5231 11.4451 11.4451 11.8456 11.8456 11.9336 11.9336 k = 0.2969 0.1646 1.0013 ( 3492 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6245 -8.6245 -8.6223 -8.6223 -1.2251 -1.2251 -0.7556 -0.7556 -0.5173 -0.5173 -0.5148 -0.5148 -0.0316 -0.0316 0.1044 0.1044 0.2032 0.2032 0.2334 0.2334 0.4611 0.4611 0.4637 0.4637 0.7339 0.7339 2.2222 2.2222 4.6103 4.6103 4.6802 4.6802 5.7226 5.7226 6.5603 6.5603 6.8199 6.8199 8.5492 8.5492 11.3443 11.3443 11.7779 11.7779 12.0009 12.0009 k = 0.3125 0.1733 0.9914 ( 3490 PWs) bands (ev): -26.9271 -26.9271 -9.7585 -9.7585 -8.6245 -8.6245 -8.6222 -8.6222 -1.2252 -1.2252 -0.7548 -0.7548 -0.5171 -0.5171 -0.5143 -0.5143 -0.0324 -0.0324 0.1044 0.1044 0.2027 0.2027 0.2337 0.2337 0.4604 0.4604 0.4636 0.4636 0.7328 0.7328 2.2185 2.2185 4.6023 4.6023 4.6970 4.6970 5.7149 5.7149 6.5217 6.5217 6.8661 6.8661 8.5844 8.5844 11.2478 11.2478 11.6628 11.6628 12.1025 12.1025 k = 0.3281 0.1819 0.9815 ( 3490 PWs) bands (ev): -26.9272 -26.9272 -9.7585 -9.7585 -8.6245 -8.6245 -8.6221 -8.6221 -1.2252 -1.2252 -0.7538 -0.7538 -0.5170 -0.5170 -0.5137 -0.5137 -0.0335 -0.0335 0.1043 0.1043 0.2021 0.2021 0.2341 0.2341 0.4596 0.4596 0.4634 0.4634 0.7316 0.7316 2.2129 2.2129 4.5954 4.5954 4.7168 4.7168 5.7044 5.7044 6.4857 6.4857 6.9122 6.9122 8.6277 8.6277 11.1562 11.1562 11.5403 11.5403 12.2053 12.2053 k = 0.3438 0.1906 0.9716 ( 3488 PWs) bands (ev): -26.9272 -26.9272 -9.7585 -9.7585 -8.6245 -8.6245 -8.6220 -8.6220 -1.2251 -1.2251 -0.7527 -0.7527 -0.5170 -0.5170 -0.5128 -0.5128 -0.0349 -0.0349 0.1043 0.1043 0.2015 0.2015 0.2346 0.2346 0.4588 0.4588 0.4632 0.4632 0.7305 0.7305 2.2051 2.2051 4.5896 4.5896 4.7399 4.7399 5.6913 5.6913 6.4528 6.4528 6.9579 6.9579 8.6778 8.6778 11.0700 11.0700 11.4170 11.4170 12.3070 12.3070 k = 0.3594 0.1993 0.9617 ( 3486 PWs) bands (ev): -26.9272 -26.9272 -9.7584 -9.7584 -8.6245 -8.6245 -8.6219 -8.6219 -1.2250 -1.2250 -0.7515 -0.7515 -0.5170 -0.5170 -0.5117 -0.5117 -0.0365 -0.0365 0.1044 0.1044 0.2009 0.2009 0.2351 0.2351 0.4578 0.4578 0.4628 0.4628 0.7297 0.7297 2.1948 2.1948 4.5848 4.5848 4.7667 4.7667 5.6758 5.6758 6.4232 6.4232 7.0026 7.0026 8.7334 8.7334 10.9898 10.9898 11.2960 11.2960 12.4065 12.4065 k = 0.3750 0.2079 0.9518 ( 3478 PWs) bands (ev): -26.9272 -26.9272 -9.7583 -9.7583 -8.6245 -8.6245 -8.6217 -8.6217 -1.2249 -1.2249 -0.7503 -0.7503 -0.5170 -0.5170 -0.5104 -0.5104 -0.0383 -0.0383 0.1046 0.1046 0.2003 0.2003 0.2356 0.2356 0.4568 0.4568 0.4623 0.4623 0.7291 0.7291 2.1819 2.1819 4.5812 4.5812 4.7971 4.7971 5.6583 5.6583 6.3970 6.3970 7.0460 7.0460 8.7930 8.7930 10.9161 10.9161 11.1797 11.1797 12.5035 12.5035 k = 0.3906 0.2166 0.9419 ( 3476 PWs) bands (ev): -26.9272 -26.9272 -9.7582 -9.7582 -8.6245 -8.6245 -8.6216 -8.6216 -1.2246 -1.2246 -0.7490 -0.7490 -0.5171 -0.5171 -0.5090 -0.5090 -0.0404 -0.0404 0.1048 0.1048 0.1997 0.1997 0.2361 0.2361 0.4557 0.4557 0.4617 0.4617 0.7289 0.7289 2.1664 2.1664 4.5789 4.5789 4.8311 4.8311 5.6395 5.6395 6.3743 6.3743 7.0875 7.0875 8.8547 8.8547 10.8494 10.8494 11.0701 11.0701 12.5975 12.5975 k = 0.4062 0.2253 0.9320 ( 3479 PWs) bands (ev): -26.9272 -26.9272 -9.7581 -9.7581 -8.6244 -8.6244 -8.6214 -8.6214 -1.2243 -1.2243 -0.7478 -0.7478 -0.5172 -0.5172 -0.5074 -0.5074 -0.0427 -0.0427 0.1050 0.1050 0.1991 0.1991 0.2366 0.2366 0.4545 0.4545 0.4611 0.4611 0.7291 0.7291 2.1481 2.1481 4.5777 4.5777 4.8685 4.8685 5.6201 5.6201 6.3551 6.3551 7.1267 7.1267 8.9165 8.9165 10.7904 10.7904 10.9693 10.9693 12.6880 12.6880 k = 0.4219 0.2339 0.9221 ( 3476 PWs) bands (ev): -26.9272 -26.9272 -9.7580 -9.7580 -8.6243 -8.6243 -8.6212 -8.6212 -1.2239 -1.2239 -0.7466 -0.7466 -0.5174 -0.5174 -0.5056 -0.5056 -0.0453 -0.0453 0.1054 0.1054 0.1985 0.1985 0.2371 0.2371 0.4533 0.4533 0.4604 0.4604 0.7297 0.7297 2.1273 2.1273 4.5778 4.5778 4.9089 4.9089 5.6006 5.6006 6.3395 6.3395 7.1630 7.1630 8.9762 8.9762 10.7396 10.7396 10.8795 10.8795 12.7745 12.7746 k = 0.4375 0.2426 0.9122 ( 3480 PWs) bands (ev): -26.9273 -26.9273 -9.7579 -9.7579 -8.6243 -8.6243 -8.6210 -8.6210 -1.2233 -1.2233 -0.7455 -0.7455 -0.5176 -0.5176 -0.5037 -0.5037 -0.0480 -0.0480 0.1058 0.1058 0.1980 0.1980 0.2376 0.2376 0.4519 0.4519 0.4596 0.4596 0.7309 0.7309 2.1040 2.1040 4.5792 4.5792 4.9516 4.9516 5.5818 5.5818 6.3274 6.3274 7.1960 7.1960 9.0312 9.0312 10.6974 10.6974 10.8031 10.8031 12.8560 12.8561 k = 0.4531 0.2513 0.9023 ( 3474 PWs) bands (ev): -26.9273 -26.9273 -9.7578 -9.7578 -8.6242 -8.6242 -8.6208 -8.6208 -1.2227 -1.2227 -0.7445 -0.7445 -0.5177 -0.5177 -0.5017 -0.5017 -0.0510 -0.0510 0.1063 0.1063 0.1975 0.1975 0.2380 0.2380 0.4505 0.4505 0.4588 0.4588 0.7325 0.7325 2.0786 2.0786 4.5819 4.5819 4.9957 4.9957 5.5644 5.5644 6.3191 6.3191 7.2252 7.2252 9.0787 9.0787 10.6644 10.6644 10.7428 10.7428 12.9306 12.9306 k = 0.4688 0.2599 0.8924 ( 3474 PWs) bands (ev): -26.9273 -26.9273 -9.7577 -9.7577 -8.6242 -8.6242 -8.6206 -8.6206 -1.2220 -1.2220 -0.7436 -0.7436 -0.5179 -0.5179 -0.4995 -0.4995 -0.0541 -0.0541 0.1068 0.1068 0.1970 0.1970 0.2385 0.2385 0.4490 0.4490 0.4579 0.4579 0.7345 0.7345 2.0514 2.0514 4.5859 4.5859 5.0402 5.0402 5.5488 5.5488 6.3150 6.3150 7.2501 7.2501 9.1161 9.1161 10.6410 10.6410 10.7012 10.7012 12.9940 12.9940 k = 0.4844 0.2686 0.8825 ( 3478 PWs) bands (ev): -26.9273 -26.9273 -9.7576 -9.7576 -8.6241 -8.6241 -8.6203 -8.6203 -1.2212 -1.2212 -0.7428 -0.7428 -0.5182 -0.5182 -0.4973 -0.4973 -0.0573 -0.0573 0.1074 0.1074 0.1965 0.1965 0.2390 0.2390 0.4475 0.4475 0.4570 0.4570 0.7368 0.7368 2.0229 2.0229 4.5912 4.5912 5.0838 5.0838 5.5359 5.5359 6.3155 6.3155 7.2705 7.2705 9.1410 9.1410 10.6276 10.6276 10.6803 10.6803 13.0362 13.0362 k = 0.5000 0.2772 0.8726 ( 3474 PWs) bands (ev): -26.9274 -26.9274 -9.7574 -9.7574 -8.6240 -8.6240 -8.6201 -8.6201 -1.2203 -1.2203 -0.7421 -0.7421 -0.5184 -0.5184 -0.4949 -0.4949 -0.0607 -0.0607 0.1080 0.1080 0.1960 0.1960 0.2394 0.2394 0.4458 0.4458 0.4561 0.4561 0.7392 0.7392 1.9933 1.9933 4.5979 4.5979 5.1247 5.1247 5.5261 5.5261 6.3213 6.3213 7.2860 7.2860 9.1525 9.1525 10.6242 10.6242 10.6813 10.6813 13.0427 13.0427 k = 0.5000 0.2772 0.8726 ( 3474 PWs) bands (ev): -26.9274 -26.9274 -9.7574 -9.7574 -8.6240 -8.6240 -8.6201 -8.6201 -1.2203 -1.2203 -0.7421 -0.7421 -0.5184 -0.5184 -0.4949 -0.4949 -0.0607 -0.0607 0.1080 0.1080 0.1960 0.1960 0.2394 0.2394 0.4458 0.4458 0.4561 0.4561 0.7392 0.7392 1.9933 1.9933 4.5979 4.5979 5.1247 5.1247 5.5261 5.5261 6.3213 6.3213 7.2860 7.2860 9.1525 9.1525 10.6242 10.6242 10.6813 10.6813 13.0427 13.0427 k = 0.5000 0.2772 0.8518 ( 3486 PWs) bands (ev): -26.9274 -26.9274 -9.7571 -9.7571 -8.6239 -8.6239 -8.6194 -8.6194 -1.2184 -1.2184 -0.7407 -0.7407 -0.5191 -0.5191 -0.4896 -0.4896 -0.0681 -0.0681 0.1092 0.1092 0.1950 0.1950 0.2403 0.2403 0.4422 0.4422 0.4539 0.4539 0.7446 0.7446 1.9289 1.9289 4.6144 4.6144 5.2094 5.2094 5.5086 5.5086 6.3416 6.3416 7.3151 7.3151 9.1635 9.1635 10.6281 10.6281 10.7051 10.7051 13.0158 13.0158 k = 0.5000 0.2772 0.8310 ( 3482 PWs) bands (ev): -26.9275 -26.9275 -9.7567 -9.7567 -8.6238 -8.6238 -8.6186 -8.6186 -1.2165 -1.2165 -0.7390 -0.7390 -0.5198 -0.5198 -0.4840 -0.4840 -0.0759 -0.0759 0.1104 0.1104 0.1941 0.1941 0.2413 0.2413 0.4384 0.4384 0.4516 0.4516 0.7499 0.7499 1.8612 1.8612 4.6330 4.6330 5.2995 5.2995 5.4902 5.4902 6.3654 6.3654 7.3476 7.3476 9.1767 9.1767 10.6327 10.6327 10.7249 10.7249 12.9978 12.9978 k = 0.5000 0.2772 0.8102 ( 3488 PWs) bands (ev): -26.9276 -26.9276 -9.7563 -9.7563 -8.6237 -8.6237 -8.6177 -8.6177 -1.2146 -1.2146 -0.7372 -0.7372 -0.5206 -0.5206 -0.4782 -0.4782 -0.0839 -0.0839 0.1114 0.1114 0.1933 0.1933 0.2423 0.2423 0.4344 0.4344 0.4493 0.4493 0.7550 0.7550 1.7911 1.7911 4.6538 4.6538 5.3933 5.3933 5.4716 5.4716 6.3928 6.3928 7.3835 7.3835 9.1924 9.1924 10.6381 10.6381 10.7390 10.7390 12.9907 12.9907 k = 0.5000 0.2772 0.7895 ( 3482 PWs) bands (ev): -26.9277 -26.9277 -9.7558 -9.7558 -8.6237 -8.6237 -8.6167 -8.6167 -1.2127 -1.2127 -0.7351 -0.7351 -0.5214 -0.5214 -0.4724 -0.4724 -0.0921 -0.0921 0.1123 0.1123 0.1928 0.1928 0.2434 0.2434 0.4303 0.4303 0.4469 0.4469 0.7598 0.7598 1.7193 1.7193 4.6767 4.6767 5.4491 5.4491 5.4947 5.4947 6.4238 6.4238 7.4228 7.4228 9.2110 9.2110 10.6444 10.6444 10.7462 10.7462 12.9956 12.9956 k = 0.5000 0.2772 0.7687 ( 3490 PWs) bands (ev): -26.9278 -26.9278 -9.7553 -9.7553 -8.6236 -8.6236 -8.6155 -8.6155 -1.2111 -1.2111 -0.7329 -0.7329 -0.5224 -0.5224 -0.4667 -0.4667 -0.1003 -0.1003 0.1128 0.1128 0.1925 0.1925 0.2447 0.2447 0.4261 0.4261 0.4447 0.4447 0.7641 0.7641 1.6465 1.6465 4.7018 4.7018 5.4320 5.4320 5.5939 5.5939 6.4581 6.4581 7.4653 7.4653 9.2327 9.2327 10.6517 10.6517 10.7455 10.7455 13.0120 13.0120 k = 0.5000 0.2772 0.7479 ( 3486 PWs) bands (ev): -26.9279 -26.9279 -9.7548 -9.7548 -8.6235 -8.6235 -8.6143 -8.6143 -1.2097 -1.2097 -0.7305 -0.7305 -0.5235 -0.5235 -0.4612 -0.4612 -0.1085 -0.1085 0.1131 0.1131 0.1926 0.1926 0.2462 0.2462 0.4219 0.4219 0.4426 0.4426 0.7677 0.7677 1.5733 1.5733 4.7291 4.7291 5.4148 5.4148 5.6963 5.6963 6.4956 6.4956 7.5111 7.5111 9.2579 9.2579 10.6601 10.6601 10.7367 10.7367 13.0369 13.0369 k = 0.5000 0.2772 0.7271 ( 3474 PWs) bands (ev): -26.9280 -26.9280 -9.7542 -9.7542 -8.6235 -8.6235 -8.6130 -8.6130 -1.2086 -1.2086 -0.7278 -0.7278 -0.5246 -0.5246 -0.4560 -0.4560 -0.1165 -0.1165 0.1130 0.1130 0.1929 0.1929 0.2480 0.2480 0.4175 0.4175 0.4408 0.4408 0.7704 0.7704 1.5001 1.5001 4.7586 4.7586 5.3993 5.3993 5.8001 5.8001 6.5361 6.5361 7.5601 7.5601 9.2869 9.2869 10.6696 10.6696 10.7201 10.7201 13.0613 13.0613 k = 0.5000 0.2772 0.7064 ( 3470 PWs) bands (ev): -26.9281 -26.9281 -9.7536 -9.7536 -8.6234 -8.6234 -8.6116 -8.6116 -1.2079 -1.2079 -0.7250 -0.7250 -0.5258 -0.5258 -0.4512 -0.4512 -0.1246 -0.1246 0.1125 0.1125 0.1936 0.1936 0.2503 0.2503 0.4129 0.4129 0.4393 0.4393 0.7722 0.7722 1.4274 1.4274 4.7905 4.7905 5.3861 5.3861 5.9044 5.9044 6.5793 6.5793 7.6121 7.6121 9.3200 9.3200 10.6797 10.6797 10.6972 10.6972 13.0664 13.0664 k = 0.5000 0.2772 0.6856 ( 3472 PWs) bands (ev): -26.9282 -26.9282 -9.7530 -9.7530 -8.6234 -8.6234 -8.6101 -8.6101 -1.2076 -1.2076 -0.7220 -0.7220 -0.5271 -0.5271 -0.4469 -0.4469 -0.1326 -0.1326 0.1116 0.1116 0.1945 0.1945 0.2531 0.2531 0.4083 0.4083 0.4382 0.4382 0.7728 0.7728 1.3557 1.3557 4.8247 4.8247 5.3759 5.3759 6.0088 6.0088 6.6250 6.6250 7.6672 7.6672 9.3575 9.3575 10.6652 10.6652 10.6944 10.6944 12.9946 12.9946 k = 0.5000 0.2772 0.6648 ( 3472 PWs) bands (ev): -26.9283 -26.9283 -9.7524 -9.7524 -8.6233 -8.6233 -8.6085 -8.6085 -1.2079 -1.2079 -0.7189 -0.7189 -0.5285 -0.5285 -0.4432 -0.4432 -0.1406 -0.1406 0.1103 0.1103 0.1957 0.1957 0.2564 0.2564 0.4034 0.4034 0.4377 0.4377 0.7722 0.7722 1.2852 1.2852 4.8612 4.8612 5.3691 5.3691 6.1126 6.1126 6.6727 6.6727 7.7253 7.7253 9.3997 9.3997 10.6313 10.6313 10.7078 10.7078 12.8559 12.8559 k = 0.5000 0.2772 0.6440 ( 3478 PWs) bands (ev): -26.9284 -26.9284 -9.7517 -9.7517 -8.6232 -8.6232 -8.6068 -8.6068 -1.2087 -1.2087 -0.7156 -0.7156 -0.5299 -0.5299 -0.4400 -0.4400 -0.1486 -0.1486 0.1087 0.1087 0.1971 0.1971 0.2605 0.2605 0.3984 0.3984 0.4376 0.4376 0.7701 0.7701 1.2163 1.2163 4.9001 4.9001 5.3661 5.3661 6.2153 6.2153 6.7222 6.7222 7.7862 7.7862 9.4467 9.4467 10.5938 10.5938 10.7233 10.7233 12.7096 12.7096 k = 0.5000 0.2772 0.6233 ( 3478 PWs) bands (ev): -26.9286 -26.9286 -9.7509 -9.7509 -8.6231 -8.6231 -8.6051 -8.6051 -1.2102 -1.2102 -0.7121 -0.7121 -0.5314 -0.5314 -0.4375 -0.4375 -0.1569 -0.1569 0.1069 0.1069 0.1987 0.1987 0.2652 0.2652 0.3932 0.3932 0.4382 0.4382 0.7667 0.7667 1.1494 1.1494 4.9414 4.9414 5.3674 5.3674 6.3165 6.3165 6.7732 6.7732 7.8500 7.8500 9.4989 9.4989 10.5544 10.5544 10.7406 10.7406 12.5580 12.5580 k = 0.5000 0.2772 0.6025 ( 3470 PWs) bands (ev): -26.9287 -26.9287 -9.7502 -9.7502 -8.6230 -8.6230 -8.6033 -8.6033 -1.2123 -1.2123 -0.7085 -0.7085 -0.5330 -0.5330 -0.4354 -0.4354 -0.1653 -0.1653 0.1048 0.1048 0.2003 0.2003 0.2706 0.2706 0.3879 0.3879 0.4394 0.4394 0.7618 0.7618 1.0847 1.0847 4.9852 4.9852 5.3733 5.3733 6.4157 6.4157 6.8252 6.8252 7.9165 7.9165 9.5563 9.5563 10.5146 10.5146 10.7597 10.7597 12.4022 12.4022 k = 0.5000 0.2772 0.5817 ( 3474 PWs) bands (ev): -26.9288 -26.9288 -9.7494 -9.7494 -8.6229 -8.6229 -8.6014 -8.6014 -1.2151 -1.2151 -0.7049 -0.7049 -0.5346 -0.5346 -0.4339 -0.4339 -0.1742 -0.1742 0.1027 0.1027 0.2019 0.2019 0.2766 0.2766 0.3823 0.3823 0.4413 0.4413 0.7554 0.7554 1.0227 1.0227 5.0315 5.0315 5.3840 5.3840 6.5126 6.5126 6.8778 6.8778 7.9856 7.9856 9.6189 9.6189 10.4756 10.4756 10.7807 10.7807 12.2430 12.2430 k = 0.5000 0.2772 0.5609 ( 3478 PWs) bands (ev): -26.9289 -26.9289 -9.7487 -9.7487 -8.6228 -8.6228 -8.5995 -8.5995 -1.2186 -1.2186 -0.7012 -0.7012 -0.5363 -0.5363 -0.4328 -0.4328 -0.1835 -0.1835 0.1005 0.1005 0.2034 0.2034 0.2831 0.2831 0.3764 0.3764 0.4439 0.4439 0.7475 0.7475 0.9636 0.9636 5.0803 5.0803 5.3998 5.3998 6.6069 6.6069 6.9306 6.9306 8.0574 8.0574 9.6868 9.6868 10.4384 10.4384 10.8037 10.8037 12.0813 12.0813 k = 0.5000 0.2772 0.5402 ( 3470 PWs) bands (ev): -26.9291 -26.9291 -9.7479 -9.7479 -8.6226 -8.6226 -8.5976 -8.5976 -1.2228 -1.2228 -0.6975 -0.6975 -0.5380 -0.5380 -0.4321 -0.4321 -0.1932 -0.1932 0.0983 0.0983 0.2046 0.2046 0.2901 0.2901 0.3702 0.3702 0.4473 0.4473 0.7380 0.7380 0.9078 0.9078 5.1316 5.1316 5.4207 5.4207 6.6983 6.6983 6.9832 6.9832 8.1315 8.1315 9.7596 9.7596 10.4041 10.4041 10.8288 10.8288 11.9178 11.9178 k = 0.5000 0.2772 0.5194 ( 3470 PWs) bands (ev): -26.9292 -26.9292 -9.7471 -9.7471 -8.6225 -8.6225 -8.5956 -8.5956 -1.2277 -1.2277 -0.6939 -0.6939 -0.5398 -0.5398 -0.4317 -0.4317 -0.2034 -0.2034 0.0962 0.0962 0.2054 0.2054 0.2974 0.2974 0.3637 0.3637 0.4513 0.4513 0.7268 0.7268 0.8559 0.8559 5.1855 5.1855 5.4469 5.4469 6.7866 6.7866 7.0351 7.0351 8.2081 8.2081 9.8371 9.8371 10.3736 10.3736 10.8558 10.8558 11.7530 11.7530 k = 0.5000 0.2772 0.4986 ( 3470 PWs) bands (ev): -26.9293 -26.9293 -9.7462 -9.7462 -8.6223 -8.6223 -8.5936 -8.5936 -1.2332 -1.2332 -0.6902 -0.6902 -0.5416 -0.5416 -0.4316 -0.4316 -0.2140 -0.2140 0.0942 0.0942 0.2056 0.2056 0.3048 0.3048 0.3568 0.3568 0.4560 0.4560 0.7139 0.7139 0.8085 0.8085 5.2420 5.2420 5.4784 5.4784 6.8717 6.8717 7.0858 7.0858 8.2868 8.2868 9.9185 9.9185 10.3478 10.3478 10.8849 10.8849 11.5878 11.5878 k = 0.5000 0.2772 0.4778 ( 3474 PWs) bands (ev): -26.9295 -26.9295 -9.7454 -9.7454 -8.6222 -8.6222 -8.5915 -8.5915 -1.2393 -1.2393 -0.6867 -0.6867 -0.5436 -0.5436 -0.4317 -0.4317 -0.2250 -0.2250 0.0924 0.0924 0.2048 0.2048 0.3121 0.3121 0.3494 0.3494 0.4612 0.4612 0.6987 0.6987 0.7666 0.7666 5.3011 5.3011 5.5152 5.5152 6.9534 6.9534 7.1349 7.1349 8.3678 8.3678 10.0028 10.0028 10.3274 10.3274 10.9155 10.9155 11.4230 11.4230 k = 0.5000 0.2772 0.4571 ( 3486 PWs) bands (ev): -26.9296 -26.9296 -9.7446 -9.7446 -8.6220 -8.6220 -8.5895 -8.5895 -1.2460 -1.2460 -0.6834 -0.6834 -0.5456 -0.5456 -0.4321 -0.4321 -0.2363 -0.2363 0.0908 0.0908 0.2029 0.2029 0.3191 0.3191 0.3419 0.3419 0.4668 0.4668 0.6804 0.6804 0.7316 0.7316 5.3628 5.3628 5.5571 5.5571 7.0318 7.0318 7.1820 7.1820 8.4507 8.4507 10.0885 10.0885 10.3134 10.3134 10.9462 10.9462 11.2606 11.2606 k = 0.5000 0.2772 0.4363 ( 3488 PWs) bands (ev): -26.9297 -26.9297 -9.7438 -9.7438 -8.6218 -8.6218 -8.5874 -8.5874 -1.2532 -1.2532 -0.6802 -0.6802 -0.5478 -0.5478 -0.4326 -0.4326 -0.2476 -0.2476 0.0894 0.0894 0.1994 0.1994 0.3250 0.3250 0.3349 0.3349 0.4725 0.4725 0.6587 0.6587 0.7047 0.7047 5.4272 5.4272 5.6042 5.6042 7.1067 7.1067 7.2268 7.2268 8.5354 8.5354 10.1721 10.1721 10.3077 10.3077 10.9665 10.9665 11.1115 11.1115 k = 0.5000 0.2772 0.4155 ( 3484 PWs) bands (ev): -26.9299 -26.9299 -9.7429 -9.7429 -8.6216 -8.6216 -8.5853 -8.5853 -1.2609 -1.2609 -0.6773 -0.6773 -0.5502 -0.5502 -0.4334 -0.4334 -0.2587 -0.2587 0.0882 0.0882 0.1940 0.1940 0.3236 0.3236 0.3347 0.3347 0.4777 0.4777 0.6356 0.6356 0.6843 0.6843 5.4941 5.4941 5.6562 5.6562 7.1779 7.1779 7.2693 7.2693 8.6219 8.6219 10.2426 10.2426 10.3192 10.3192 10.8948 10.8948 11.0579 11.0579 k = 0.5000 0.2772 0.3947 ( 3488 PWs) bands (ev): -26.9300 -26.9300 -9.7421 -9.7421 -8.6214 -8.6214 -8.5833 -8.5833 -1.2689 -1.2689 -0.6746 -0.6746 -0.5529 -0.5529 -0.4345 -0.4345 -0.2693 -0.2693 0.0872 0.0872 0.1864 0.1864 0.3166 0.3166 0.3399 0.3399 0.4820 0.4820 0.6144 0.6144 0.6681 0.6681 5.5635 5.5635 5.7128 5.7128 7.2447 7.2447 7.3098 7.3098 8.7099 8.7099 10.2750 10.2750 10.3693 10.3693 10.7443 10.7443 11.0869 11.0869 k = 0.5000 0.2772 0.3740 ( 3486 PWs) bands (ev): -26.9301 -26.9301 -9.7413 -9.7413 -8.6212 -8.6212 -8.5812 -8.5812 -1.2771 -1.2771 -0.6722 -0.6722 -0.5558 -0.5558 -0.4360 -0.4360 -0.2792 -0.2792 0.0861 0.0861 0.1766 0.1766 0.3095 0.3095 0.3452 0.3452 0.4845 0.4845 0.5967 0.5967 0.6549 0.6549 5.6355 5.6355 5.7739 5.7739 7.3043 7.3043 7.3511 7.3511 8.7992 8.7992 10.2866 10.2866 10.4350 10.4350 10.5862 10.5862 11.1282 11.1282 k = 0.5000 0.2772 0.3532 ( 3486 PWs) bands (ev): -26.9303 -26.9303 -9.7405 -9.7405 -8.6210 -8.6210 -8.5792 -8.5792 -1.2856 -1.2856 -0.6701 -0.6701 -0.5591 -0.5591 -0.4380 -0.4380 -0.2878 -0.2878 0.0847 0.0847 0.1649 0.1649 0.3032 0.3032 0.3501 0.3501 0.4847 0.4847 0.5826 0.5826 0.6448 0.6448 5.7100 5.7100 5.8392 5.8392 7.3507 7.3507 7.3991 7.3991 8.8897 8.8897 10.2921 10.2921 10.4278 10.4278 10.4963 10.4963 11.1736 11.1736 k = 0.5000 0.2772 0.3324 ( 3490 PWs) bands (ev): -26.9304 -26.9304 -9.7397 -9.7397 -8.6208 -8.6208 -8.5773 -8.5773 -1.2942 -1.2942 -0.6684 -0.6684 -0.5629 -0.5629 -0.4407 -0.4407 -0.2951 -0.2951 0.0824 0.0824 0.1522 0.1522 0.2977 0.2977 0.3545 0.3545 0.4824 0.4824 0.5712 0.5712 0.6386 0.6386 5.7868 5.7868 5.9083 5.9083 7.3838 7.3838 7.4540 7.4540 8.9809 8.9809 10.2450 10.2450 10.3251 10.3251 10.5375 10.5375 11.2198 11.2198 k = 0.5000 0.2772 0.3116 ( 3490 PWs) bands (ev): -26.9305 -26.9305 -9.7390 -9.7390 -8.6206 -8.6206 -8.5754 -8.5754 -1.3028 -1.3028 -0.6669 -0.6669 -0.5671 -0.5671 -0.4439 -0.4439 -0.3005 -0.3005 0.0780 0.0780 0.1401 0.1401 0.2930 0.2930 0.3584 0.3584 0.4780 0.4780 0.5610 0.5610 0.6367 0.6367 5.8658 5.8658 5.9808 5.9808 7.4093 7.4093 7.5102 7.5102 9.0727 9.0727 10.0994 10.0994 10.3156 10.3156 10.5595 10.5595 11.2546 11.2546 k = 0.5000 0.2772 0.2909 ( 3492 PWs) bands (ev): -26.9306 -26.9306 -9.7383 -9.7383 -8.6204 -8.6204 -8.5735 -8.5735 -1.3113 -1.3113 -0.6658 -0.6658 -0.5717 -0.5717 -0.4478 -0.4478 -0.3040 -0.3040 0.0699 0.0699 0.1306 0.1306 0.2890 0.2890 0.3618 0.3618 0.4720 0.4720 0.5514 0.5514 0.6388 0.6388 5.9469 5.9469 6.0562 6.0562 7.4296 7.4296 7.5654 7.5654 9.1647 9.1647 9.9463 9.9463 10.3042 10.3042 10.5604 10.5604 11.2325 11.2325 k = 0.5000 0.2772 0.2701 ( 3488 PWs) bands (ev): -26.9307 -26.9307 -9.7376 -9.7376 -8.6202 -8.6202 -8.5717 -8.5717 -1.3197 -1.3197 -0.6650 -0.6650 -0.5768 -0.5768 -0.4522 -0.4522 -0.3056 -0.3056 0.0574 0.0574 0.1252 0.1252 0.2855 0.2855 0.3647 0.3647 0.4649 0.4649 0.5425 0.5425 0.6438 0.6438 6.0299 6.0299 6.1342 6.1342 7.4460 7.4460 7.6188 7.6188 9.2564 9.2564 9.7946 9.7946 10.2763 10.2763 10.5422 10.5422 11.1960 11.1960 k = 0.5000 0.2772 0.2493 ( 3490 PWs) bands (ev): -26.9308 -26.9308 -9.7369 -9.7369 -8.6200 -8.6200 -8.5701 -8.5701 -1.3278 -1.3278 -0.6646 -0.6646 -0.5823 -0.5823 -0.4569 -0.4569 -0.3052 -0.3052 0.0412 0.0412 0.1235 0.1235 0.2824 0.2824 0.3671 0.3671 0.4567 0.4567 0.5348 0.5348 0.6507 0.6507 6.1145 6.1145 6.2139 6.2139 7.4589 7.4589 7.6700 7.6700 9.3473 9.3473 9.6457 9.6457 10.2279 10.2279 10.5092 10.5092 11.1858 11.1858 k = 0.5000 0.2772 0.2285 ( 3486 PWs) bands (ev): -26.9309 -26.9309 -9.7363 -9.7363 -8.6198 -8.6198 -8.5685 -8.5685 -1.3356 -1.3356 -0.6646 -0.6646 -0.5880 -0.5880 -0.4617 -0.4617 -0.3029 -0.3029 0.0230 0.0230 0.1242 0.1242 0.2794 0.2794 0.3691 0.3691 0.4477 0.4477 0.5284 0.5284 0.6587 0.6587 6.2004 6.2004 6.2949 6.2949 7.4687 7.4687 7.7189 7.7189 9.4359 9.4359 9.5012 9.5012 10.1596 10.1596 10.4662 10.4662 11.2061 11.2061 k = 0.5000 0.2772 0.2078 ( 3482 PWs) bands (ev): -26.9310 -26.9310 -9.7358 -9.7358 -8.6196 -8.6196 -8.5670 -8.5670 -1.3430 -1.3430 -0.6649 -0.6649 -0.5938 -0.5938 -0.4664 -0.4664 -0.2991 -0.2991 0.0038 0.0038 0.1264 0.1264 0.2765 0.2765 0.3707 0.3707 0.4383 0.4383 0.5235 0.5235 0.6672 0.6672 6.2871 6.2871 6.3764 6.3764 7.4759 7.4759 7.7653 7.7653 9.3574 9.3574 9.5258 9.5258 10.0765 10.0765 10.4174 10.4174 11.2536 11.2536 k = 0.5000 0.2772 0.1870 ( 3480 PWs) bands (ev): -26.9310 -26.9310 -9.7352 -9.7352 -8.6194 -8.6194 -8.5656 -8.5656 -1.3499 -1.3499 -0.6657 -0.6657 -0.5995 -0.5995 -0.4709 -0.4709 -0.2939 -0.2939 -0.0157 -0.0157 0.1296 0.1296 0.2735 0.2735 0.3718 0.3718 0.4288 0.4288 0.5199 0.5199 0.6757 0.6757 6.3740 6.3740 6.4573 6.4573 7.4808 7.4808 7.8090 7.8090 9.2208 9.2208 9.6104 9.6104 9.9843 9.9843 10.3661 10.3661 11.3232 11.3232 k = 0.5000 0.2772 0.1662 ( 3476 PWs) bands (ev): -26.9311 -26.9311 -9.7347 -9.7347 -8.6193 -8.6193 -8.5643 -8.5643 -1.3563 -1.3563 -0.6667 -0.6667 -0.6049 -0.6049 -0.4750 -0.4750 -0.2874 -0.2874 -0.0349 -0.0349 0.1336 0.1336 0.2704 0.2704 0.3723 0.3723 0.4197 0.4197 0.5173 0.5173 0.6838 0.6838 6.4603 6.4603 6.5366 6.5366 7.4838 7.4838 7.8496 7.8496 9.0896 9.0896 9.6914 9.6914 9.8887 9.8887 10.3150 10.3150 11.4104 11.4104 k = 0.5000 0.2772 0.1454 ( 3482 PWs) bands (ev): -26.9312 -26.9312 -9.7343 -9.7343 -8.6191 -8.6191 -8.5632 -8.5632 -1.3621 -1.3621 -0.6682 -0.6682 -0.6098 -0.6098 -0.4786 -0.4786 -0.2800 -0.2800 -0.0537 -0.0537 0.1379 0.1379 0.2673 0.2673 0.3722 0.3722 0.4115 0.4115 0.5157 0.5157 0.6914 0.6914 6.5451 6.5451 6.6131 6.6131 7.4852 7.4852 7.8869 7.8869 8.9650 8.9650 9.7666 9.7666 9.7949 9.7949 10.2663 10.2663 11.5117 11.5117 k = 0.5000 0.2772 0.1247 ( 3474 PWs) bands (ev): -26.9312 -26.9312 -9.7339 -9.7339 -8.6190 -8.6190 -8.5622 -8.5622 -1.3672 -1.3672 -0.6699 -0.6699 -0.6141 -0.6141 -0.4818 -0.4818 -0.2717 -0.2717 -0.0717 -0.0717 0.1424 0.1424 0.2640 0.2640 0.3714 0.3714 0.4046 0.4046 0.5146 0.5146 0.6983 0.6983 6.6269 6.6269 6.6853 6.6853 7.4854 7.4854 7.9205 7.9205 8.8486 8.8486 9.7031 9.7031 9.8378 9.8378 10.2217 10.2217 11.6244 11.6244 k = 0.5000 0.2772 0.1039 ( 3470 PWs) bands (ev): -26.9313 -26.9313 -9.7336 -9.7336 -8.6189 -8.6189 -8.5613 -8.5613 -1.3717 -1.3717 -0.6717 -0.6717 -0.6177 -0.6177 -0.4845 -0.4845 -0.2629 -0.2629 -0.0888 -0.0888 0.1470 0.1470 0.2606 0.2606 0.3698 0.3698 0.3994 0.3994 0.5140 0.5140 0.7044 0.7044 6.7039 6.7039 6.7515 6.7515 7.4847 7.4847 7.9500 7.9500 8.7421 8.7421 9.6205 9.6205 9.8994 9.8994 10.1828 10.1828 11.7466 11.7466 k = 0.5000 0.2772 0.0831 ( 3474 PWs) bands (ev): -26.9313 -26.9313 -9.7333 -9.7333 -8.6188 -8.6188 -8.5606 -8.5606 -1.3753 -1.3753 -0.6735 -0.6735 -0.6205 -0.6205 -0.4866 -0.4866 -0.2538 -0.2538 -0.1046 -0.1046 0.1513 0.1513 0.2574 0.2574 0.3675 0.3675 0.3959 0.3959 0.5137 0.5137 0.7095 0.7095 6.7739 6.7739 6.8098 6.8098 7.4834 7.4834 7.9748 7.9748 8.6481 8.6481 9.5481 9.5481 9.9506 9.9506 10.1516 10.1516 11.8766 11.8766 k = 0.5000 0.2772 0.0623 ( 3476 PWs) bands (ev): -26.9313 -26.9313 -9.7331 -9.7331 -8.6188 -8.6188 -8.5600 -8.5600 -1.3782 -1.3782 -0.6752 -0.6752 -0.6226 -0.6226 -0.4884 -0.4884 -0.2449 -0.2449 -0.1187 -0.1187 0.1552 0.1552 0.2544 0.2544 0.3651 0.3651 0.3937 0.3937 0.5135 0.5135 0.7135 0.7135 6.8337 6.8337 6.8582 6.8582 7.4818 7.4818 7.9948 7.9948 8.5694 8.5694 9.4885 9.4885 9.9886 9.9886 10.1303 10.1303 12.0127 12.0127 k = 0.5000 0.2772 0.0416 ( 3470 PWs) bands (ev): -26.9314 -26.9314 -9.7330 -9.7330 -8.6187 -8.6187 -8.5596 -8.5596 -1.3803 -1.3803 -0.6765 -0.6765 -0.6240 -0.6240 -0.4896 -0.4896 -0.2369 -0.2369 -0.1304 -0.1304 0.1582 0.1582 0.2520 0.2520 0.3631 0.3631 0.3924 0.3924 0.5134 0.5134 0.7164 0.7164 6.8801 6.8801 6.8947 6.8947 7.4802 7.4802 8.0093 8.0093 8.5095 8.5095 9.4441 9.4441 10.0111 10.0111 10.1205 10.1205 12.1524 12.1524 k = 0.5000 0.2772 0.0208 ( 3470 PWs) bands (ev): -26.9314 -26.9314 -9.7329 -9.7329 -8.6187 -8.6187 -8.5594 -8.5594 -1.3816 -1.3816 -0.6774 -0.6774 -0.6249 -0.6249 -0.4903 -0.4903 -0.2312 -0.2312 -0.1384 -0.1384 0.1602 0.1602 0.2504 0.2504 0.3617 0.3617 0.3918 0.3918 0.5134 0.5134 0.7182 0.7182 6.9097 6.9097 6.9175 6.9175 7.4791 7.4791 8.0181 8.0181 8.4718 8.4718 9.4166 9.4166 10.0199 10.0199 10.1195 10.1195 12.2895 12.2895 k = 0.5000 0.2772-0.0000 ( 3478 PWs) bands (ev): -26.9314 -26.9314 -9.7329 -9.7329 -8.6187 -8.6187 -8.5593 -8.5593 -1.3820 -1.3820 -0.6776 -0.6776 -0.6251 -0.6251 -0.4906 -0.4906 -0.2290 -0.2290 -0.1413 -0.1413 0.1609 0.1609 0.2498 0.2498 0.3612 0.3612 0.3916 0.3916 0.5134 0.5134 0.7187 0.7187 6.9198 6.9198 6.9254 6.9254 7.4787 7.4787 8.0211 8.0211 8.4589 8.4589 9.4073 9.4073 10.0218 10.0218 10.1203 10.1203 12.3818 12.3818 k = 0.0000 0.0000 1.0311 ( 3500 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6238 -8.6238 -8.6231 -8.6231 -1.2275 -1.2275 -0.7492 -0.7492 -0.5175 -0.5175 -0.5154 -0.5154 -0.0292 -0.0292 0.1017 0.1017 0.2008 0.2008 0.2350 0.2350 0.4618 0.4618 0.4636 0.4636 0.7160 0.7160 2.2683 2.2683 4.5410 4.5410 4.7732 4.7732 5.5913 5.5913 6.2587 6.2587 7.1842 7.1842 9.1208 9.1208 10.5440 10.5440 10.6153 10.6153 13.0932 13.0932 k = 0.0179 0.0099 1.0311 ( 3498 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6238 -8.6238 -8.6231 -8.6231 -1.2274 -1.2274 -0.7493 -0.7493 -0.5175 -0.5175 -0.5154 -0.5154 -0.0292 -0.0292 0.1017 0.1017 0.2008 0.2008 0.2349 0.2349 0.4618 0.4618 0.4636 0.4636 0.7163 0.7163 2.2677 2.2677 4.5416 4.5416 4.7722 4.7722 5.5929 5.5929 6.2613 6.2613 7.1806 7.1806 9.1093 9.1093 10.5606 10.5606 10.6219 10.6219 13.0801 13.0801 k = 0.0357 0.0198 1.0311 ( 3488 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6238 -8.6238 -8.6231 -8.6231 -1.2273 -1.2273 -0.7496 -0.7496 -0.5175 -0.5175 -0.5154 -0.5154 -0.0293 -0.0293 0.1018 0.1018 0.2009 0.2009 0.2349 0.2349 0.4619 0.4619 0.4636 0.4636 0.7170 0.7170 2.2662 2.2662 4.5433 4.5433 4.7692 4.7692 5.5977 5.5977 6.2692 6.2692 7.1698 7.1698 9.0766 9.0766 10.6082 10.6082 10.6420 10.6420 13.0414 13.0414 k = 0.0536 0.0297 1.0311 ( 3480 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6238 -8.6238 -8.6231 -8.6231 -1.2272 -1.2272 -0.7500 -0.7500 -0.5174 -0.5174 -0.5154 -0.5154 -0.0293 -0.0293 0.1020 0.1020 0.2011 0.2011 0.2348 0.2348 0.4619 0.4619 0.4636 0.4636 0.7182 0.7182 2.2636 2.2636 4.5461 4.5461 4.7644 4.7644 5.6056 5.6056 6.2822 6.2822 7.1523 7.1523 9.0272 9.0272 10.6694 10.6694 10.6883 10.6883 12.9795 12.9795 k = 0.0714 0.0396 1.0311 ( 3488 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6238 -8.6238 -8.6231 -8.6231 -1.2269 -1.2269 -0.7507 -0.7507 -0.5175 -0.5175 -0.5154 -0.5154 -0.0295 -0.0295 0.1022 0.1022 0.2013 0.2013 0.2346 0.2346 0.4619 0.4619 0.4636 0.4636 0.7197 0.7197 2.2603 2.2603 4.5500 4.5500 4.7578 4.7578 5.6161 5.6161 6.3001 6.3001 7.1284 7.1284 8.9664 8.9664 10.7159 10.7159 10.7833 10.7833 12.8979 12.8979 k = 0.0893 0.0495 1.0311 ( 3486 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6239 -8.6239 -8.6231 -8.6231 -1.2267 -1.2267 -0.7515 -0.7515 -0.5175 -0.5175 -0.5153 -0.5153 -0.0296 -0.0296 0.1025 0.1025 0.2016 0.2016 0.2345 0.2345 0.4619 0.4619 0.4636 0.4636 0.7216 0.7216 2.2562 2.2562 4.5550 4.5550 4.7497 4.7497 5.6288 5.6288 6.3228 6.3228 7.0986 7.0986 8.8995 8.8995 10.7718 10.7718 10.8972 10.8972 12.8002 12.8002 k = 0.1071 0.0594 1.0311 ( 3474 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6239 -8.6239 -8.6230 -8.6230 -1.2264 -1.2264 -0.7523 -0.7523 -0.5175 -0.5175 -0.5153 -0.5153 -0.0297 -0.0297 0.1028 0.1028 0.2019 0.2019 0.2343 0.2343 0.4620 0.4620 0.4636 0.4636 0.7237 0.7237 2.2518 2.2518 4.5610 4.5610 4.7401 4.7401 5.6431 5.6431 6.3500 6.3500 7.0638 7.0638 8.8307 8.8307 10.8384 10.8384 11.0239 11.0239 12.6903 12.6903 k = 0.1250 0.0693 1.0311 ( 3470 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6239 -8.6239 -8.6230 -8.6230 -1.2261 -1.2261 -0.7532 -0.7532 -0.5175 -0.5175 -0.5153 -0.5153 -0.0298 -0.0298 0.1032 0.1032 0.2022 0.2022 0.2341 0.2341 0.4620 0.4620 0.4636 0.4636 0.7259 0.7259 2.2470 2.2470 4.5681 4.5681 4.7294 4.7294 5.6585 5.6585 6.3812 6.3812 7.0246 7.0246 8.7632 8.7632 10.9149 10.9149 11.1598 11.1598 12.5715 12.5715 k = 0.1429 0.0792 1.0311 ( 3470 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6240 -8.6240 -8.6230 -8.6230 -1.2258 -1.2258 -0.7541 -0.7541 -0.5175 -0.5175 -0.5153 -0.5153 -0.0300 -0.0300 0.1035 0.1035 0.2025 0.2025 0.2339 0.2339 0.4621 0.4621 0.4636 0.4636 0.7281 0.7281 2.2423 2.2423 4.5762 4.5762 4.7178 4.7178 5.6740 5.6740 6.4163 6.4163 6.9817 6.9817 8.7000 8.7000 11.0005 11.0005 11.3020 11.3020 12.4463 12.4463 k = 0.1607 0.0891 1.0311 ( 3474 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6240 -8.6240 -8.6229 -8.6229 -1.2255 -1.2255 -0.7550 -0.7550 -0.5175 -0.5175 -0.5153 -0.5153 -0.0301 -0.0301 0.1038 0.1038 0.2028 0.2028 0.2336 0.2336 0.4621 0.4621 0.4636 0.4636 0.7302 0.7302 2.2378 2.2378 4.5852 4.5852 4.7054 4.7054 5.6891 5.6891 6.4547 6.4547 6.9360 6.9360 8.6430 8.6430 11.0945 11.0945 11.4476 11.4476 12.3173 12.3173 k = 0.1786 0.0990 1.0311 ( 3482 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6241 -8.6241 -8.6228 -8.6228 -1.2253 -1.2253 -0.7557 -0.7557 -0.5175 -0.5175 -0.5152 -0.5152 -0.0302 -0.0302 0.1040 0.1040 0.2030 0.2030 0.2334 0.2334 0.4621 0.4621 0.4636 0.4636 0.7321 0.7321 2.2338 2.2338 4.5950 4.5950 4.6926 4.6926 5.7027 5.7027 6.4962 6.4962 6.8880 6.8880 8.5940 8.5940 11.1960 11.1960 11.5931 11.5931 12.1866 12.1866 k = 0.1964 0.1089 1.0311 ( 3490 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6242 -8.6242 -8.6228 -8.6228 -1.2251 -1.2251 -0.7563 -0.7563 -0.5175 -0.5175 -0.5152 -0.5152 -0.0304 -0.0304 0.1042 0.1042 0.2033 0.2033 0.2332 0.2332 0.4621 0.4621 0.4636 0.4636 0.7337 0.7337 2.2304 2.2304 4.6056 4.6056 4.6795 4.6795 5.7143 5.7143 6.5403 6.5403 6.8386 6.8386 8.5545 8.5545 11.3042 11.3042 11.7330 11.7330 12.0567 12.0567 k = 0.2143 0.1188 1.0311 ( 3498 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6242 -8.6242 -8.6227 -8.6227 -1.2250 -1.2250 -0.7567 -0.7567 -0.5176 -0.5176 -0.5152 -0.5152 -0.0305 -0.0305 0.1044 0.1044 0.2035 0.2035 0.2331 0.2331 0.4622 0.4622 0.4636 0.4636 0.7348 0.7348 2.2278 2.2278 4.6169 4.6169 4.6664 4.6664 5.7232 5.7232 6.5865 6.5865 6.7884 6.7884 8.5254 8.5254 11.4182 11.4182 11.8458 11.8458 11.9421 11.9421 k = 0.2321 0.1287 1.0311 ( 3492 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6243 -8.6243 -8.6226 -8.6226 -1.2249 -1.2249 -0.7569 -0.7569 -0.5176 -0.5176 -0.5152 -0.5152 -0.0305 -0.0305 0.1045 0.1045 0.2037 0.2037 0.2330 0.2330 0.4622 0.4622 0.4636 0.4636 0.7356 0.7356 2.2263 2.2263 4.6287 4.6287 4.6535 4.6535 5.7287 5.7287 6.6343 6.6343 6.7381 6.7381 8.5076 8.5076 11.5368 11.5368 11.7815 11.7815 11.9775 11.9775 k = 0.2500 0.1386 1.0311 ( 3496 PWs) bands (ev): -26.9271 -26.9271 -9.7586 -9.7586 -8.6244 -8.6244 -8.6226 -8.6226 -1.2250 -1.2250 -0.7569 -0.7569 -0.5176 -0.5176 -0.5152 -0.5152 -0.0305 -0.0305 0.1045 0.1045 0.2037 0.2037 0.2329 0.2329 0.4622 0.4622 0.4636 0.4636 0.7358 0.7358 2.2257 2.2257 4.6373 4.6373 4.6444 4.6444 5.7307 5.7307 6.6783 6.6783 6.6934 6.6934 8.5016 8.5016 11.6451 11.6451 11.6727 11.6727 12.0147 12.0148 Writing output data file SrxCdGex2.save init_run : 0.90s CPU 1.41s WALL ( 1 calls) electrons : 256.14s CPU 259.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.27s WALL ( 1 calls) potinit : 0.09s CPU 0.15s WALL ( 1 calls) Called by electrons: c_bands : 256.13s CPU 259.84s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) newd : 0.19s CPU 0.28s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 318 calls) cegterg : 238.12s CPU 240.57s WALL ( 667 calls) Called by sum_band: Called by *egterg: h_psi : 163.79s CPU 165.48s WALL ( 11381 calls) s_psi : 5.47s CPU 5.26s WALL ( 11381 calls) g_psi : 0.30s CPU 0.23s WALL ( 10396 calls) cdiaghg : 65.92s CPU 67.32s WALL ( 10714 calls) cegterg:over : 6.33s CPU 6.33s WALL ( 10396 calls) cegterg:upda : 6.21s CPU 6.14s WALL ( 10396 calls) cegterg:last : 2.70s CPU 2.78s WALL ( 1608 calls) cdiaghg:chol : 3.61s CPU 3.85s WALL ( 10714 calls) cdiaghg:inve : 2.38s CPU 2.42s WALL ( 10714 calls) cdiaghg:para : 3.57s CPU 3.97s WALL ( 21428 calls) Called by h_psi: h_psi:vloc : 150.79s CPU 152.42s WALL ( 11381 calls) h_psi:vnl : 12.76s CPU 12.81s WALL ( 11381 calls) add_vuspsi : 6.38s CPU 6.28s WALL ( 11381 calls) General routines calbec : 6.34s CPU 6.50s WALL ( 11381 calls) fft : 0.03s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 130.06s CPU 131.14s WALL ( 932780 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.16s CPU 0.25s WALL ( 636 calls) Parallel routines fft_scatter : 36.95s CPU 37.55s WALL ( 932803 calls) PWSCF : 4m31.80s CPU 4m57.23s WALL This run was terminated on: 16:53: 5 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=