Program PWSCF v.5.4.0 starts on 24Mar2017 at 10:54:49 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./PH2NO4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 51 29 8 1939 846 128 Max 52 30 9 1942 875 132 Sum 3673 2121 603 139729 61823 9317 bravais-lattice index = 14 lattice parameter (alat) = 12.2600 a.u. unit-cell volume = 1418.5360 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 4 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.259980 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.335530 celldm(5)= -0.335530 celldm(6)= -0.328939 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.328939 0.944351 0.000000 ) a(3) = ( -0.335530 -0.472176 0.815150 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.348323 0.613384 ) b(2) = ( 0.000000 1.058928 0.613384 ) b(3) = ( 0.000000 0.000000 1.226768 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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. # 4 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) N 5.00 14.00670 N( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.1644697 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4721755 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4075751 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 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 s 2 inv. 180 deg rotation - cart. axis [0,0,1] -s -2 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 268 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 2) = ( 0.0000000 0.0000000 0.0204461), wk = 0.0037313 k( 3) = ( 0.0000000 0.0000000 0.0408923), wk = 0.0037313 k( 4) = ( 0.0000000 0.0000000 0.0613384), wk = 0.0037313 k( 5) = ( 0.0000000 0.0000000 0.0817845), wk = 0.0037313 k( 6) = ( 0.0000000 0.0000000 0.1022307), wk = 0.0037313 k( 7) = ( 0.0000000 0.0000000 0.1226768), wk = 0.0037313 k( 8) = ( 0.0000000 0.0000000 0.1431229), wk = 0.0037313 k( 9) = ( 0.0000000 0.0000000 0.1635690), wk = 0.0037313 k( 10) = ( 0.0000000 0.0000000 0.1840152), wk = 0.0037313 k( 11) = ( 0.0000000 0.0000000 0.2044613), wk = 0.0037313 k( 12) = ( 0.0000000 0.0000000 0.2249074), wk = 0.0037313 k( 13) = ( 0.0000000 0.0000000 0.2453536), wk = 0.0037313 k( 14) = ( 0.0000000 0.0000000 0.2657997), wk = 0.0037313 k( 15) = ( 0.0000000 0.0000000 0.2862458), wk = 0.0037313 k( 16) = ( 0.0000000 0.0000000 0.3066920), wk = 0.0037313 k( 17) = ( 0.0000000 0.0000000 0.3271381), wk = 0.0037313 k( 18) = ( 0.0000000 0.0000000 0.3475842), wk = 0.0037313 k( 19) = ( 0.0000000 0.0000000 0.3680304), wk = 0.0037313 k( 20) = ( 0.0000000 0.0000000 0.3884765), wk = 0.0037313 k( 21) = ( 0.0000000 0.0000000 0.4089226), wk = 0.0037313 k( 22) = ( 0.0000000 0.0000000 0.4293688), wk = 0.0037313 k( 23) = ( 0.0000000 0.0000000 0.4498149), wk = 0.0037313 k( 24) = ( 0.0000000 0.0000000 0.4702610), wk = 0.0037313 k( 25) = ( 0.0000000 0.0000000 0.4907072), wk = 0.0037313 k( 26) = ( 0.0000000 0.0000000 0.5111533), wk = 0.0037313 k( 27) = ( 0.0000000 0.0000000 0.5315994), wk = 0.0037313 k( 28) = ( 0.0000000 0.0000000 0.5520455), wk = 0.0037313 k( 29) = ( 0.0000000 0.0000000 0.5724917), wk = 0.0037313 k( 30) = ( 0.0000000 0.0000000 0.5929378), wk = 0.0037313 k( 31) = ( 0.0000000 0.0000000 0.6133839), wk = 0.0037313 k( 32) = ( 0.0000000 0.0000000 0.6133839), wk = 0.0037313 k( 33) = ( -0.0165030 0.0117271 0.6133839), wk = 0.0037313 k( 34) = ( -0.0330059 0.0234542 0.6133839), wk = 0.0037313 k( 35) = ( -0.0495089 0.0351813 0.6133839), wk = 0.0037313 k( 36) = ( -0.0660119 0.0469084 0.6133839), wk = 0.0037313 k( 37) = ( -0.0825149 0.0586355 0.6133839), wk = 0.0037313 k( 38) = ( -0.0990179 0.0703626 0.6133839), wk = 0.0037313 k( 39) = ( -0.1155208 0.0820897 0.6133839), wk = 0.0037313 k( 40) = ( -0.1320238 0.0938168 0.6133839), wk = 0.0037313 k( 41) = ( -0.1485268 0.1055439 0.6133839), wk = 0.0037313 k( 42) = ( -0.1650298 0.1172710 0.6133839), wk = 0.0037313 k( 43) = ( -0.1815327 0.1289981 0.6133839), wk = 0.0037313 k( 44) = ( -0.1980357 0.1407252 0.6133839), wk = 0.0037313 k( 45) = ( -0.2145387 0.1524523 0.6133839), wk = 0.0037313 k( 46) = ( -0.2310417 0.1641794 0.6133839), wk = 0.0037313 k( 47) = ( -0.2475446 0.1759065 0.6133839), wk = 0.0037313 k( 48) = ( -0.2640476 0.1876336 0.6133839), wk = 0.0037313 k( 49) = ( -0.2805506 0.1993607 0.6133839), wk = 0.0037313 k( 50) = ( -0.2970536 0.2110877 0.6133839), wk = 0.0037313 k( 51) = ( -0.3135565 0.2228148 0.6133839), wk = 0.0037313 k( 52) = ( -0.3300595 0.2345419 0.6133839), wk = 0.0037313 k( 53) = ( -0.3465625 0.2462690 0.6133839), wk = 0.0037313 k( 54) = ( -0.3630655 0.2579961 0.6133839), wk = 0.0037313 k( 55) = ( -0.3795685 0.2697232 0.6133839), wk = 0.0037313 k( 56) = ( -0.3960714 0.2814503 0.6133839), wk = 0.0037313 k( 57) = ( -0.4125744 0.2931774 0.6133839), wk = 0.0037313 k( 58) = ( -0.4290774 0.3049045 0.6133839), wk = 0.0037313 k( 59) = ( -0.4455804 0.3166316 0.6133839), wk = 0.0037313 k( 60) = ( -0.4620833 0.3283587 0.6133839), wk = 0.0037313 k( 61) = ( -0.4785863 0.3400858 0.6133839), wk = 0.0037313 k( 62) = ( -0.4950893 0.3518129 0.6133839), wk = 0.0037313 k( 63) = ( -0.4950893 0.3518129 0.6133839), wk = 0.0037313 k( 64) = ( -0.4975446 0.3535577 0.6103718), wk = 0.0037313 k( 65) = ( -0.4975446 0.3535577 0.6103718), wk = 0.0037313 k( 66) = ( -0.4856983 0.3451397 0.5958391), wk = 0.0037313 k( 67) = ( -0.4738520 0.3367216 0.5813065), wk = 0.0037313 k( 68) = ( -0.4620057 0.3283036 0.5667738), wk = 0.0037313 k( 69) = ( -0.4501594 0.3198855 0.5522411), wk = 0.0037313 k( 70) = ( -0.4383131 0.3114675 0.5377085), wk = 0.0037313 k( 71) = ( -0.4264668 0.3030495 0.5231758), wk = 0.0037313 k( 72) = ( -0.4146205 0.2946314 0.5086432), wk = 0.0037313 k( 73) = ( -0.4027742 0.2862134 0.4941105), wk = 0.0037313 k( 74) = ( -0.3909279 0.2777953 0.4795778), wk = 0.0037313 k( 75) = ( -0.3790816 0.2693773 0.4650452), wk = 0.0037313 k( 76) = ( -0.3672353 0.2609593 0.4505125), wk = 0.0037313 k( 77) = ( -0.3553890 0.2525412 0.4359798), wk = 0.0037313 k( 78) = ( -0.3435427 0.2441232 0.4214472), wk = 0.0037313 k( 79) = ( -0.3316964 0.2357051 0.4069145), wk = 0.0037313 k( 80) = ( -0.3198501 0.2272871 0.3923819), wk = 0.0037313 k( 81) = ( -0.3080038 0.2188691 0.3778492), wk = 0.0037313 k( 82) = ( -0.2961575 0.2104510 0.3633165), wk = 0.0037313 k( 83) = ( -0.2843112 0.2020330 0.3487839), wk = 0.0037313 k( 84) = ( -0.2724649 0.1936149 0.3342512), wk = 0.0037313 k( 85) = ( -0.2606186 0.1851969 0.3197186), wk = 0.0037313 k( 86) = ( -0.2487723 0.1767788 0.3051859), wk = 0.0037313 k( 87) = ( -0.2369260 0.1683608 0.2906532), wk = 0.0037313 k( 88) = ( -0.2250797 0.1599428 0.2761206), wk = 0.0037313 k( 89) = ( -0.2132334 0.1515247 0.2615879), wk = 0.0037313 k( 90) = ( -0.2013871 0.1431067 0.2470552), wk = 0.0037313 k( 91) = ( -0.1895408 0.1346886 0.2325226), wk = 0.0037313 k( 92) = ( -0.1776945 0.1262706 0.2179899), wk = 0.0037313 k( 93) = ( -0.1658482 0.1178526 0.2034573), wk = 0.0037313 k( 94) = ( -0.1540019 0.1094345 0.1889246), wk = 0.0037313 k( 95) = ( -0.1421556 0.1010165 0.1743919), wk = 0.0037313 k( 96) = ( -0.1303093 0.0925984 0.1598593), wk = 0.0037313 k( 97) = ( -0.1184630 0.0841804 0.1453266), wk = 0.0037313 k( 98) = ( -0.1066167 0.0757624 0.1307940), wk = 0.0037313 k( 99) = ( -0.0947704 0.0673443 0.1162613), wk = 0.0037313 k( 100) = ( -0.0829241 0.0589263 0.1017286), wk = 0.0037313 k( 101) = ( -0.0710778 0.0505082 0.0871960), wk = 0.0037313 k( 102) = ( -0.0592315 0.0420902 0.0726633), wk = 0.0037313 k( 103) = ( -0.0473852 0.0336722 0.0581306), wk = 0.0037313 k( 104) = ( -0.0355389 0.0252541 0.0435980), wk = 0.0037313 k( 105) = ( -0.0236926 0.0168361 0.0290653), wk = 0.0037313 k( 106) = ( -0.0118463 0.0084180 0.0145327), wk = 0.0037313 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 109) = ( 0.0119048 0.0167530 -0.0000000), wk = 0.0037313 k( 110) = ( 0.0238095 0.0335060 -0.0000000), wk = 0.0037313 k( 111) = ( 0.0357143 0.0502590 -0.0000000), wk = 0.0037313 k( 112) = ( 0.0476191 0.0670120 -0.0000000), wk = 0.0037313 k( 113) = ( 0.0595238 0.0837650 -0.0000000), wk = 0.0037313 k( 114) = ( 0.0714286 0.1005180 -0.0000000), wk = 0.0037313 k( 115) = ( 0.0833333 0.1172710 -0.0000000), wk = 0.0037313 k( 116) = ( 0.0952381 0.1340240 -0.0000000), wk = 0.0037313 k( 117) = ( 0.1071429 0.1507770 -0.0000000), wk = 0.0037313 k( 118) = ( 0.1190476 0.1675300 -0.0000000), wk = 0.0037313 k( 119) = ( 0.1309524 0.1842829 -0.0000000), wk = 0.0037313 k( 120) = ( 0.1428571 0.2010359 -0.0000000), wk = 0.0037313 k( 121) = ( 0.1547619 0.2177889 -0.0000000), wk = 0.0037313 k( 122) = ( 0.1666667 0.2345419 -0.0000000), wk = 0.0037313 k( 123) = ( 0.1785714 0.2512949 -0.0000000), wk = 0.0037313 k( 124) = ( 0.1904762 0.2680479 -0.0000000), wk = 0.0037313 k( 125) = ( 0.2023810 0.2848009 -0.0000000), wk = 0.0037313 k( 126) = ( 0.2142857 0.3015539 -0.0000000), wk = 0.0037313 k( 127) = ( 0.2261905 0.3183069 -0.0000000), wk = 0.0037313 k( 128) = ( 0.2380952 0.3350599 -0.0000000), wk = 0.0037313 k( 129) = ( 0.2500000 0.3518129 -0.0000000), wk = 0.0037313 k( 130) = ( 0.2619048 0.3685659 -0.0000000), wk = 0.0037313 k( 131) = ( 0.2738095 0.3853189 -0.0000000), wk = 0.0037313 k( 132) = ( 0.2857143 0.4020719 -0.0000000), wk = 0.0037313 k( 133) = ( 0.2976190 0.4188249 -0.0000000), wk = 0.0037313 k( 134) = ( 0.3095238 0.4355779 -0.0000000), wk = 0.0037313 k( 135) = ( 0.3214286 0.4523309 -0.0000000), wk = 0.0037313 k( 136) = ( 0.3333333 0.4690839 -0.0000000), wk = 0.0037313 k( 137) = ( 0.3452381 0.4858369 -0.0000000), wk = 0.0037313 k( 138) = ( 0.3571429 0.5025899 -0.0000000), wk = 0.0037313 k( 139) = ( 0.3690476 0.5193429 -0.0000000), wk = 0.0037313 k( 140) = ( 0.3809524 0.5360959 -0.0000000), wk = 0.0037313 k( 141) = ( 0.3928571 0.5528488 -0.0000000), wk = 0.0037313 k( 142) = ( 0.4047619 0.5696018 -0.0000000), wk = 0.0037313 k( 143) = ( 0.4166667 0.5863548 -0.0000000), wk = 0.0037313 k( 144) = ( 0.4285714 0.6031078 -0.0000000), wk = 0.0037313 k( 145) = ( 0.4404762 0.6198608 -0.0000000), wk = 0.0037313 k( 146) = ( 0.4523810 0.6366138 -0.0000000), wk = 0.0037313 k( 147) = ( 0.4642857 0.6533668 -0.0000000), wk = 0.0037313 k( 148) = ( 0.4761905 0.6701198 -0.0000000), wk = 0.0037313 k( 149) = ( 0.4880952 0.6868728 -0.0000000), wk = 0.0037313 k( 150) = ( 0.5000000 0.7036258 -0.0000000), wk = 0.0037313 k( 151) = ( 0.5000000 0.7036258 -0.0000000), wk = 0.0037313 k( 152) = ( 0.4975446 0.7053706 0.0030122), wk = 0.0037313 k( 153) = ( 0.4975446 0.7053706 0.0030122), wk = 0.0037313 k( 154) = ( 0.4809598 0.6995071 0.0131348), wk = 0.0037313 k( 155) = ( 0.4643750 0.6936435 0.0232575), wk = 0.0037313 k( 156) = ( 0.4477902 0.6877800 0.0333801), wk = 0.0037313 k( 157) = ( 0.4312054 0.6819164 0.0435028), wk = 0.0037313 k( 158) = ( 0.4146205 0.6760529 0.0536255), wk = 0.0037313 k( 159) = ( 0.3980357 0.6701893 0.0637481), wk = 0.0037313 k( 160) = ( 0.3814509 0.6643258 0.0738708), wk = 0.0037313 k( 161) = ( 0.3648661 0.6584622 0.0839934), wk = 0.0037313 k( 162) = ( 0.3482812 0.6525987 0.0941161), wk = 0.0037313 k( 163) = ( 0.3316964 0.6467351 0.1042388), wk = 0.0037313 k( 164) = ( 0.3151116 0.6408716 0.1143614), wk = 0.0037313 k( 165) = ( 0.2985268 0.6350080 0.1244841), wk = 0.0037313 k( 166) = ( 0.2819420 0.6291445 0.1346067), wk = 0.0037313 k( 167) = ( 0.2653571 0.6232809 0.1447294), wk = 0.0037313 k( 168) = ( 0.2487723 0.6174174 0.1548521), wk = 0.0037313 k( 169) = ( 0.2321875 0.6115538 0.1649747), wk = 0.0037313 k( 170) = ( 0.2156027 0.6056903 0.1750974), wk = 0.0037313 k( 171) = ( 0.1990179 0.5998267 0.1852200), wk = 0.0037313 k( 172) = ( 0.1824330 0.5939632 0.1953427), wk = 0.0037313 k( 173) = ( 0.1658482 0.5880996 0.2054654), wk = 0.0037313 k( 174) = ( 0.1492634 0.5822361 0.2155880), wk = 0.0037313 k( 175) = ( 0.1326786 0.5763725 0.2257107), wk = 0.0037313 k( 176) = ( 0.1160937 0.5705090 0.2358333), wk = 0.0037313 k( 177) = ( 0.0995089 0.5646454 0.2459560), wk = 0.0037313 k( 178) = ( 0.0829241 0.5587819 0.2560787), wk = 0.0037313 k( 179) = ( 0.0663393 0.5529183 0.2662013), wk = 0.0037313 k( 180) = ( 0.0497545 0.5470548 0.2763240), wk = 0.0037313 k( 181) = ( 0.0331696 0.5411912 0.2864466), wk = 0.0037313 k( 182) = ( 0.0165848 0.5353277 0.2965693), wk = 0.0037313 k( 183) = ( 0.0000000 0.5294641 0.3066920), wk = 0.0037313 k( 184) = ( 0.0000000 0.5294641 0.3066920), wk = 0.0037313 k( 185) = ( 0.0113636 0.5213891 0.3206325), wk = 0.0037313 k( 186) = ( 0.0227273 0.5133140 0.3345731), wk = 0.0037313 k( 187) = ( 0.0340909 0.5052390 0.3485136), wk = 0.0037313 k( 188) = ( 0.0454546 0.4971639 0.3624542), wk = 0.0037313 k( 189) = ( 0.0568182 0.4890889 0.3763947), wk = 0.0037313 k( 190) = ( 0.0681818 0.4810138 0.3903352), wk = 0.0037313 k( 191) = ( 0.0795455 0.4729388 0.4042758), wk = 0.0037313 k( 192) = ( 0.0909091 0.4648637 0.4182163), wk = 0.0037313 k( 193) = ( 0.1022727 0.4567886 0.4321569), wk = 0.0037313 k( 194) = ( 0.1136364 0.4487136 0.4460974), wk = 0.0037313 k( 195) = ( 0.1250000 0.4406385 0.4600380), wk = 0.0037313 k( 196) = ( 0.1363636 0.4325635 0.4739785), wk = 0.0037313 k( 197) = ( 0.1477273 0.4244884 0.4879190), wk = 0.0037313 k( 198) = ( 0.1590909 0.4164134 0.5018596), wk = 0.0037313 k( 199) = ( 0.1704546 0.4083383 0.5158001), wk = 0.0037313 k( 200) = ( 0.1818182 0.4002632 0.5297407), wk = 0.0037313 k( 201) = ( 0.1931818 0.3921882 0.5436812), wk = 0.0037313 k( 202) = ( 0.2045454 0.3841131 0.5576218), wk = 0.0037313 k( 203) = ( 0.2159091 0.3760381 0.5715623), wk = 0.0037313 k( 204) = ( 0.2272727 0.3679630 0.5855029), wk = 0.0037313 k( 205) = ( 0.2386364 0.3598880 0.5994434), wk = 0.0037313 k( 206) = ( 0.2500000 0.3518129 0.6133839), wk = 0.0037313 k( 207) = ( 0.2500000 0.3518129 0.6133839), wk = 0.0037313 k( 208) = ( 0.2567568 0.3613214 0.5969688), wk = 0.0037313 k( 209) = ( 0.2635135 0.3708298 0.5805537), wk = 0.0037313 k( 210) = ( 0.2702703 0.3803383 0.5641386), wk = 0.0037313 k( 211) = ( 0.2770270 0.3898467 0.5477234), wk = 0.0037313 k( 212) = ( 0.2837838 0.3993552 0.5313083), wk = 0.0037313 k( 213) = ( 0.2905405 0.4088636 0.5148932), wk = 0.0037313 k( 214) = ( 0.2972973 0.4183721 0.4984781), wk = 0.0037313 k( 215) = ( 0.3040541 0.4278806 0.4820629), wk = 0.0037313 k( 216) = ( 0.3108108 0.4373890 0.4656478), wk = 0.0037313 k( 217) = ( 0.3175676 0.4468975 0.4492327), wk = 0.0037313 k( 218) = ( 0.3243243 0.4564059 0.4328176), wk = 0.0037313 k( 219) = ( 0.3310811 0.4659144 0.4164024), wk = 0.0037313 k( 220) = ( 0.3378378 0.4754229 0.3999873), wk = 0.0037313 k( 221) = ( 0.3445946 0.4849313 0.3835722), wk = 0.0037313 k( 222) = ( 0.3513514 0.4944398 0.3671571), wk = 0.0037313 k( 223) = ( 0.3581081 0.5039482 0.3507419), wk = 0.0037313 k( 224) = ( 0.3648649 0.5134567 0.3343268), wk = 0.0037313 k( 225) = ( 0.3716216 0.5229651 0.3179117), wk = 0.0037313 k( 226) = ( 0.3783784 0.5324736 0.3014966), wk = 0.0037313 k( 227) = ( 0.3851351 0.5419821 0.2850814), wk = 0.0037313 k( 228) = ( 0.3918919 0.5514905 0.2686663), wk = 0.0037313 k( 229) = ( 0.3986486 0.5609990 0.2522512), wk = 0.0037313 k( 230) = ( 0.4054054 0.5705074 0.2358361), wk = 0.0037313 k( 231) = ( 0.4121622 0.5800159 0.2194209), wk = 0.0037313 k( 232) = ( 0.4189189 0.5895243 0.2030058), wk = 0.0037313 k( 233) = ( 0.4256757 0.5990328 0.1865907), wk = 0.0037313 k( 234) = ( 0.4324324 0.6085412 0.1701756), wk = 0.0037313 k( 235) = ( 0.4391892 0.6180497 0.1537604), wk = 0.0037313 k( 236) = ( 0.4459459 0.6275582 0.1373453), wk = 0.0037313 k( 237) = ( 0.4527027 0.6370666 0.1209302), wk = 0.0037313 k( 238) = ( 0.4594595 0.6465751 0.1045151), wk = 0.0037313 k( 239) = ( 0.4662162 0.6560835 0.0880999), wk = 0.0037313 k( 240) = ( 0.4729730 0.6655920 0.0716848), wk = 0.0037313 k( 241) = ( 0.4797297 0.6751004 0.0552697), wk = 0.0037313 k( 242) = ( 0.4864865 0.6846089 0.0388546), wk = 0.0037313 k( 243) = ( 0.4932432 0.6941174 0.0224394), wk = 0.0037313 k( 244) = ( 0.5000000 0.7036258 0.0060243), wk = 0.0037313 k( 245) = ( 0.5000000 0.7036258 0.0060243), wk = 0.0037313 k( 246) = ( 0.5000000 0.7036258 -0.0000000), wk = 0.0037313 k( 247) = ( 0.0000000 0.0000000 0.6133839), wk = 0.0037313 k( 248) = ( 0.0119048 0.0167530 0.6133839), wk = 0.0037313 k( 249) = ( 0.0238095 0.0335060 0.6133839), wk = 0.0037313 k( 250) = ( 0.0357143 0.0502590 0.6133839), wk = 0.0037313 k( 251) = ( 0.0476191 0.0670120 0.6133839), wk = 0.0037313 k( 252) = ( 0.0595238 0.0837650 0.6133839), wk = 0.0037313 k( 253) = ( 0.0714286 0.1005180 0.6133839), wk = 0.0037313 k( 254) = ( 0.0833333 0.1172710 0.6133839), wk = 0.0037313 k( 255) = ( 0.0952381 0.1340240 0.6133839), wk = 0.0037313 k( 256) = ( 0.1071429 0.1507770 0.6133839), wk = 0.0037313 k( 257) = ( 0.1190476 0.1675300 0.6133839), wk = 0.0037313 k( 258) = ( 0.1309524 0.1842829 0.6133839), wk = 0.0037313 k( 259) = ( 0.1428571 0.2010359 0.6133839), wk = 0.0037313 k( 260) = ( 0.1547619 0.2177889 0.6133839), wk = 0.0037313 k( 261) = ( 0.1666667 0.2345419 0.6133839), wk = 0.0037313 k( 262) = ( 0.1785714 0.2512949 0.6133839), wk = 0.0037313 k( 263) = ( 0.1904762 0.2680479 0.6133839), wk = 0.0037313 k( 264) = ( 0.2023810 0.2848009 0.6133839), wk = 0.0037313 k( 265) = ( 0.2142857 0.3015539 0.6133839), wk = 0.0037313 k( 266) = ( 0.2261905 0.3183069 0.6133839), wk = 0.0037313 k( 267) = ( 0.2380952 0.3350599 0.6133839), wk = 0.0037313 k( 268) = ( 0.2500000 0.3518129 0.6133839), wk = 0.0037313 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 2) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0037313 k( 3) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0037313 k( 4) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0037313 k( 5) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0037313 k( 6) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0037313 k( 7) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0037313 k( 8) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0037313 k( 9) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0037313 k( 10) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0037313 k( 11) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0037313 k( 12) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0037313 k( 13) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0037313 k( 14) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0037313 k( 15) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0037313 k( 16) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0037313 k( 17) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0037313 k( 18) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0037313 k( 19) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0037313 k( 20) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0037313 k( 21) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0037313 k( 22) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0037313 k( 23) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0037313 k( 24) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0037313 k( 25) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0037313 k( 26) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0037313 k( 27) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0037313 k( 28) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0037313 k( 29) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0037313 k( 30) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0037313 k( 31) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313 k( 32) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313 k( 33) = ( -0.0165030 0.0165030 0.5000000), wk = 0.0037313 k( 34) = ( -0.0330059 0.0330059 0.5000000), wk = 0.0037313 k( 35) = ( -0.0495089 0.0495089 0.5000000), wk = 0.0037313 k( 36) = ( -0.0660119 0.0660119 0.5000000), wk = 0.0037313 k( 37) = ( -0.0825149 0.0825149 0.5000000), wk = 0.0037313 k( 38) = ( -0.0990179 0.0990179 0.5000000), wk = 0.0037313 k( 39) = ( -0.1155208 0.1155208 0.5000000), wk = 0.0037313 k( 40) = ( -0.1320238 0.1320238 0.5000000), wk = 0.0037313 k( 41) = ( -0.1485268 0.1485268 0.5000000), wk = 0.0037313 k( 42) = ( -0.1650298 0.1650298 0.5000000), wk = 0.0037313 k( 43) = ( -0.1815327 0.1815327 0.5000000), wk = 0.0037313 k( 44) = ( -0.1980357 0.1980357 0.5000000), wk = 0.0037313 k( 45) = ( -0.2145387 0.2145387 0.5000000), wk = 0.0037313 k( 46) = ( -0.2310417 0.2310417 0.5000000), wk = 0.0037313 k( 47) = ( -0.2475446 0.2475446 0.5000000), wk = 0.0037313 k( 48) = ( -0.2640476 0.2640476 0.5000000), wk = 0.0037313 k( 49) = ( -0.2805506 0.2805506 0.5000000), wk = 0.0037313 k( 50) = ( -0.2970536 0.2970536 0.5000000), wk = 0.0037313 k( 51) = ( -0.3135565 0.3135566 0.5000000), wk = 0.0037313 k( 52) = ( -0.3300595 0.3300595 0.5000000), wk = 0.0037313 k( 53) = ( -0.3465625 0.3465625 0.5000000), wk = 0.0037313 k( 54) = ( -0.3630655 0.3630655 0.5000000), wk = 0.0037313 k( 55) = ( -0.3795685 0.3795685 0.5000000), wk = 0.0037313 k( 56) = ( -0.3960714 0.3960714 0.5000000), wk = 0.0037313 k( 57) = ( -0.4125744 0.4125744 0.5000000), wk = 0.0037313 k( 58) = ( -0.4290774 0.4290774 0.5000000), wk = 0.0037313 k( 59) = ( -0.4455804 0.4455804 0.5000000), wk = 0.0037313 k( 60) = ( -0.4620833 0.4620833 0.5000000), wk = 0.0037313 k( 61) = ( -0.4785863 0.4785863 0.5000000), wk = 0.0037313 k( 62) = ( -0.4950893 0.4950893 0.5000000), wk = 0.0037313 k( 63) = ( -0.4950893 0.4950893 0.5000000), wk = 0.0037313 k( 64) = ( -0.4975446 0.4975446 0.4975446), wk = 0.0037313 k( 65) = ( -0.4975446 0.4975446 0.4975446), wk = 0.0037313 k( 66) = ( -0.4856983 0.4856983 0.4856983), wk = 0.0037313 k( 67) = ( -0.4738520 0.4738520 0.4738520), wk = 0.0037313 k( 68) = ( -0.4620057 0.4620057 0.4620057), wk = 0.0037313 k( 69) = ( -0.4501594 0.4501594 0.4501594), wk = 0.0037313 k( 70) = ( -0.4383131 0.4383131 0.4383131), wk = 0.0037313 k( 71) = ( -0.4264668 0.4264668 0.4264668), wk = 0.0037313 k( 72) = ( -0.4146205 0.4146205 0.4146205), wk = 0.0037313 k( 73) = ( -0.4027742 0.4027742 0.4027742), wk = 0.0037313 k( 74) = ( -0.3909279 0.3909279 0.3909279), wk = 0.0037313 k( 75) = ( -0.3790816 0.3790816 0.3790816), wk = 0.0037313 k( 76) = ( -0.3672353 0.3672353 0.3672353), wk = 0.0037313 k( 77) = ( -0.3553890 0.3553890 0.3553890), wk = 0.0037313 k( 78) = ( -0.3435427 0.3435427 0.3435427), wk = 0.0037313 k( 79) = ( -0.3316964 0.3316964 0.3316964), wk = 0.0037313 k( 80) = ( -0.3198501 0.3198501 0.3198501), wk = 0.0037313 k( 81) = ( -0.3080038 0.3080038 0.3080038), wk = 0.0037313 k( 82) = ( -0.2961575 0.2961575 0.2961575), wk = 0.0037313 k( 83) = ( -0.2843112 0.2843112 0.2843112), wk = 0.0037313 k( 84) = ( -0.2724649 0.2724649 0.2724649), wk = 0.0037313 k( 85) = ( -0.2606186 0.2606186 0.2606186), wk = 0.0037313 k( 86) = ( -0.2487723 0.2487723 0.2487723), wk = 0.0037313 k( 87) = ( -0.2369260 0.2369260 0.2369260), wk = 0.0037313 k( 88) = ( -0.2250797 0.2250797 0.2250797), wk = 0.0037313 k( 89) = ( -0.2132334 0.2132334 0.2132334), wk = 0.0037313 k( 90) = ( -0.2013871 0.2013871 0.2013871), wk = 0.0037313 k( 91) = ( -0.1895408 0.1895408 0.1895408), wk = 0.0037313 k( 92) = ( -0.1776945 0.1776945 0.1776945), wk = 0.0037313 k( 93) = ( -0.1658482 0.1658482 0.1658482), wk = 0.0037313 k( 94) = ( -0.1540019 0.1540019 0.1540019), wk = 0.0037313 k( 95) = ( -0.1421556 0.1421556 0.1421556), wk = 0.0037313 k( 96) = ( -0.1303093 0.1303093 0.1303093), wk = 0.0037313 k( 97) = ( -0.1184630 0.1184630 0.1184630), wk = 0.0037313 k( 98) = ( -0.1066167 0.1066167 0.1066167), wk = 0.0037313 k( 99) = ( -0.0947704 0.0947704 0.0947704), wk = 0.0037313 k( 100) = ( -0.0829241 0.0829241 0.0829241), wk = 0.0037313 k( 101) = ( -0.0710778 0.0710778 0.0710778), wk = 0.0037313 k( 102) = ( -0.0592315 0.0592315 0.0592315), wk = 0.0037313 k( 103) = ( -0.0473852 0.0473852 0.0473852), wk = 0.0037313 k( 104) = ( -0.0355389 0.0355389 0.0355389), wk = 0.0037313 k( 105) = ( -0.0236926 0.0236926 0.0236926), wk = 0.0037313 k( 106) = ( -0.0118463 0.0118463 0.0118463), wk = 0.0037313 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 109) = ( 0.0119048 0.0119048 -0.0119048), wk = 0.0037313 k( 110) = ( 0.0238095 0.0238095 -0.0238095), wk = 0.0037313 k( 111) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0037313 k( 112) = ( 0.0476191 0.0476191 -0.0476191), wk = 0.0037313 k( 113) = ( 0.0595238 0.0595238 -0.0595238), wk = 0.0037313 k( 114) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0037313 k( 115) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0037313 k( 116) = ( 0.0952381 0.0952381 -0.0952381), wk = 0.0037313 k( 117) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0037313 k( 118) = ( 0.1190476 0.1190476 -0.1190476), wk = 0.0037313 k( 119) = ( 0.1309524 0.1309524 -0.1309524), wk = 0.0037313 k( 120) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0037313 k( 121) = ( 0.1547619 0.1547619 -0.1547619), wk = 0.0037313 k( 122) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0037313 k( 123) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0037313 k( 124) = ( 0.1904762 0.1904762 -0.1904762), wk = 0.0037313 k( 125) = ( 0.2023810 0.2023810 -0.2023810), wk = 0.0037313 k( 126) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0037313 k( 127) = ( 0.2261905 0.2261905 -0.2261905), wk = 0.0037313 k( 128) = ( 0.2380952 0.2380952 -0.2380952), wk = 0.0037313 k( 129) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0037313 k( 130) = ( 0.2619048 0.2619048 -0.2619048), wk = 0.0037313 k( 131) = ( 0.2738095 0.2738095 -0.2738095), wk = 0.0037313 k( 132) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0037313 k( 133) = ( 0.2976190 0.2976190 -0.2976190), wk = 0.0037313 k( 134) = ( 0.3095238 0.3095238 -0.3095238), wk = 0.0037313 k( 135) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0037313 k( 136) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0037313 k( 137) = ( 0.3452381 0.3452381 -0.3452381), wk = 0.0037313 k( 138) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0037313 k( 139) = ( 0.3690476 0.3690476 -0.3690476), wk = 0.0037313 k( 140) = ( 0.3809524 0.3809524 -0.3809524), wk = 0.0037313 k( 141) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0037313 k( 142) = ( 0.4047619 0.4047619 -0.4047619), wk = 0.0037313 k( 143) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0037313 k( 144) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0037313 k( 145) = ( 0.4404762 0.4404762 -0.4404762), wk = 0.0037313 k( 146) = ( 0.4523810 0.4523809 -0.4523810), wk = 0.0037313 k( 147) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0037313 k( 148) = ( 0.4761905 0.4761905 -0.4761905), wk = 0.0037313 k( 149) = ( 0.4880952 0.4880952 -0.4880952), wk = 0.0037313 k( 150) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037313 k( 151) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037313 k( 152) = ( 0.4975446 0.5024554 -0.4975446), wk = 0.0037313 k( 153) = ( 0.4975446 0.5024554 -0.4975446), wk = 0.0037313 k( 154) = ( 0.4809598 0.5023735 -0.4809598), wk = 0.0037313 k( 155) = ( 0.4643750 0.5022917 -0.4643750), wk = 0.0037313 k( 156) = ( 0.4477902 0.5022098 -0.4477902), wk = 0.0037313 k( 157) = ( 0.4312054 0.5021280 -0.4312054), wk = 0.0037313 k( 158) = ( 0.4146205 0.5020461 -0.4146205), wk = 0.0037313 k( 159) = ( 0.3980357 0.5019643 -0.3980357), wk = 0.0037313 k( 160) = ( 0.3814509 0.5018824 -0.3814509), wk = 0.0037313 k( 161) = ( 0.3648661 0.5018006 -0.3648661), wk = 0.0037313 k( 162) = ( 0.3482812 0.5017187 -0.3482812), wk = 0.0037313 k( 163) = ( 0.3316964 0.5016369 -0.3316964), wk = 0.0037313 k( 164) = ( 0.3151116 0.5015551 -0.3151116), wk = 0.0037313 k( 165) = ( 0.2985268 0.5014732 -0.2985268), wk = 0.0037313 k( 166) = ( 0.2819420 0.5013914 -0.2819420), wk = 0.0037313 k( 167) = ( 0.2653571 0.5013095 -0.2653571), wk = 0.0037313 k( 168) = ( 0.2487723 0.5012277 -0.2487723), wk = 0.0037313 k( 169) = ( 0.2321875 0.5011458 -0.2321875), wk = 0.0037313 k( 170) = ( 0.2156027 0.5010640 -0.2156027), wk = 0.0037313 k( 171) = ( 0.1990179 0.5009821 -0.1990179), wk = 0.0037313 k( 172) = ( 0.1824330 0.5009003 -0.1824330), wk = 0.0037313 k( 173) = ( 0.1658482 0.5008184 -0.1658482), wk = 0.0037313 k( 174) = ( 0.1492634 0.5007366 -0.1492634), wk = 0.0037313 k( 175) = ( 0.1326786 0.5006548 -0.1326786), wk = 0.0037313 k( 176) = ( 0.1160937 0.5005729 -0.1160937), wk = 0.0037313 k( 177) = ( 0.0995089 0.5004911 -0.0995089), wk = 0.0037313 k( 178) = ( 0.0829241 0.5004092 -0.0829241), wk = 0.0037313 k( 179) = ( 0.0663393 0.5003274 -0.0663393), wk = 0.0037313 k( 180) = ( 0.0497545 0.5002455 -0.0497545), wk = 0.0037313 k( 181) = ( 0.0331696 0.5001637 -0.0331696), wk = 0.0037313 k( 182) = ( 0.0165848 0.5000819 -0.0165848), wk = 0.0037313 k( 183) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037313 k( 184) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037313 k( 185) = ( 0.0113636 0.4886364 0.0113636), wk = 0.0037313 k( 186) = ( 0.0227273 0.4772727 0.0227273), wk = 0.0037313 k( 187) = ( 0.0340909 0.4659091 0.0340909), wk = 0.0037313 k( 188) = ( 0.0454546 0.4545455 0.0454546), wk = 0.0037313 k( 189) = ( 0.0568182 0.4431818 0.0568182), wk = 0.0037313 k( 190) = ( 0.0681818 0.4318182 0.0681818), wk = 0.0037313 k( 191) = ( 0.0795455 0.4204545 0.0795455), wk = 0.0037313 k( 192) = ( 0.0909091 0.4090909 0.0909091), wk = 0.0037313 k( 193) = ( 0.1022727 0.3977273 0.1022727), wk = 0.0037313 k( 194) = ( 0.1136364 0.3863636 0.1136364), wk = 0.0037313 k( 195) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0037313 k( 196) = ( 0.1363636 0.3636364 0.1363636), wk = 0.0037313 k( 197) = ( 0.1477273 0.3522727 0.1477273), wk = 0.0037313 k( 198) = ( 0.1590909 0.3409091 0.1590909), wk = 0.0037313 k( 199) = ( 0.1704546 0.3295455 0.1704546), wk = 0.0037313 k( 200) = ( 0.1818182 0.3181818 0.1818182), wk = 0.0037313 k( 201) = ( 0.1931818 0.3068182 0.1931818), wk = 0.0037313 k( 202) = ( 0.2045454 0.2954545 0.2045454), wk = 0.0037313 k( 203) = ( 0.2159091 0.2840909 0.2159091), wk = 0.0037313 k( 204) = ( 0.2272727 0.2727273 0.2272727), wk = 0.0037313 k( 205) = ( 0.2386364 0.2613636 0.2386364), wk = 0.0037313 k( 206) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037313 k( 207) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037313 k( 208) = ( 0.2567568 0.2567568 0.2298624), wk = 0.0037313 k( 209) = ( 0.2635135 0.2635135 0.2097249), wk = 0.0037313 k( 210) = ( 0.2702703 0.2702703 0.1895874), wk = 0.0037313 k( 211) = ( 0.2770270 0.2770270 0.1694498), wk = 0.0037313 k( 212) = ( 0.2837838 0.2837838 0.1493123), wk = 0.0037313 k( 213) = ( 0.2905405 0.2905405 0.1291747), wk = 0.0037313 k( 214) = ( 0.2972973 0.2972973 0.1090372), wk = 0.0037313 k( 215) = ( 0.3040541 0.3040541 0.0888996), wk = 0.0037313 k( 216) = ( 0.3108108 0.3108108 0.0687621), wk = 0.0037313 k( 217) = ( 0.3175676 0.3175676 0.0486245), wk = 0.0037313 k( 218) = ( 0.3243243 0.3243243 0.0284870), wk = 0.0037313 k( 219) = ( 0.3310811 0.3310811 0.0083494), wk = 0.0037313 k( 220) = ( 0.3378378 0.3378378 -0.0117881), wk = 0.0037313 k( 221) = ( 0.3445946 0.3445946 -0.0319257), wk = 0.0037313 k( 222) = ( 0.3513514 0.3513514 -0.0520632), wk = 0.0037313 k( 223) = ( 0.3581081 0.3581081 -0.0722008), wk = 0.0037313 k( 224) = ( 0.3648649 0.3648649 -0.0923383), wk = 0.0037313 k( 225) = ( 0.3716216 0.3716216 -0.1124759), wk = 0.0037313 k( 226) = ( 0.3783784 0.3783784 -0.1326134), wk = 0.0037313 k( 227) = ( 0.3851351 0.3851351 -0.1527510), wk = 0.0037313 k( 228) = ( 0.3918919 0.3918919 -0.1728885), wk = 0.0037313 k( 229) = ( 0.3986486 0.3986486 -0.1930261), wk = 0.0037313 k( 230) = ( 0.4054054 0.4054054 -0.2131636), wk = 0.0037313 k( 231) = ( 0.4121622 0.4121622 -0.2333012), wk = 0.0037313 k( 232) = ( 0.4189189 0.4189189 -0.2534387), wk = 0.0037313 k( 233) = ( 0.4256757 0.4256757 -0.2735763), wk = 0.0037313 k( 234) = ( 0.4324324 0.4324324 -0.2937138), wk = 0.0037313 k( 235) = ( 0.4391892 0.4391892 -0.3138513), wk = 0.0037313 k( 236) = ( 0.4459459 0.4459460 -0.3339889), wk = 0.0037313 k( 237) = ( 0.4527027 0.4527027 -0.3541265), wk = 0.0037313 k( 238) = ( 0.4594595 0.4594595 -0.3742640), wk = 0.0037313 k( 239) = ( 0.4662162 0.4662162 -0.3944015), wk = 0.0037313 k( 240) = ( 0.4729730 0.4729730 -0.4145391), wk = 0.0037313 k( 241) = ( 0.4797297 0.4797297 -0.4346766), wk = 0.0037313 k( 242) = ( 0.4864865 0.4864865 -0.4548142), wk = 0.0037313 k( 243) = ( 0.4932432 0.4932432 -0.4749517), wk = 0.0037313 k( 244) = ( 0.5000000 0.5000000 -0.4950893), wk = 0.0037313 k( 245) = ( 0.5000000 0.5000000 -0.4950893), wk = 0.0037313 k( 246) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037313 k( 247) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313 k( 248) = ( 0.0119048 0.0119048 0.4880952), wk = 0.0037313 k( 249) = ( 0.0238095 0.0238095 0.4761905), wk = 0.0037313 k( 250) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0037313 k( 251) = ( 0.0476191 0.0476191 0.4523810), wk = 0.0037313 k( 252) = ( 0.0595238 0.0595238 0.4404762), wk = 0.0037313 k( 253) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0037313 k( 254) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0037313 k( 255) = ( 0.0952381 0.0952381 0.4047619), wk = 0.0037313 k( 256) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0037313 k( 257) = ( 0.1190476 0.1190476 0.3809524), wk = 0.0037313 k( 258) = ( 0.1309524 0.1309524 0.3690476), wk = 0.0037313 k( 259) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0037313 k( 260) = ( 0.1547619 0.1547619 0.3452381), wk = 0.0037313 k( 261) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0037313 k( 262) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0037313 k( 263) = ( 0.1904762 0.1904762 0.3095238), wk = 0.0037313 k( 264) = ( 0.2023810 0.2023810 0.2976190), wk = 0.0037313 k( 265) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0037313 k( 266) = ( 0.2261905 0.2261905 0.2738095), wk = 0.0037313 k( 267) = ( 0.2380952 0.2380952 0.2619048), wk = 0.0037313 k( 268) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037313 Dense grid: 139729 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 61823 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 222, 86) NL pseudopotentials 0.37 Mb ( 111, 216) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1941) G-vector shells 0.01 Mb ( 924) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.17 Mb ( 222, 344) Each subspace H/S matrix 0.05 Mb ( 57, 57) Each matrix 0.57 Mb ( 216, 2, 86) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./PH2NO4.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.0 secs Computing kpt #: 2 total cpu time spent up to now is 9.1 secs Computing kpt #: 3 total cpu time spent up to now is 11.8 secs Computing kpt #: 4 total cpu time spent up to now is 14.4 secs Computing kpt #: 5 total cpu time spent up to now is 17.0 secs Computing kpt #: 6 total cpu time spent up to now is 20.0 secs Computing kpt #: 7 total cpu time spent up to now is 23.3 secs Computing kpt #: 8 total cpu time spent up to now is 27.0 secs Computing kpt #: 9 total cpu time spent up to now is 30.8 secs Computing kpt #: 10 total cpu time spent up to now is 34.2 secs Computing kpt #: 11 total cpu time spent up to now is 37.9 secs Computing kpt #: 12 total cpu time spent up to now is 40.9 secs Computing kpt #: 13 total cpu time spent up to now is 44.0 secs Computing kpt #: 14 total cpu time spent up to now is 47.4 secs Computing kpt #: 15 total cpu time spent up to now is 50.5 secs Computing kpt #: 16 total cpu time spent up to now is 53.9 secs Computing kpt #: 17 total cpu time spent up to now is 57.6 secs Computing kpt #: 18 total cpu time spent up to now is 61.5 secs Computing kpt #: 19 total cpu time spent up to now is 66.0 secs Computing kpt #: 20 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 71.0 secs Computing kpt #: 21 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 77.1 secs Computing kpt #: 22 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 83.9 secs Computing kpt #: 23 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 90.0 secs Computing kpt #: 24 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 95.5 secs Computing kpt #: 25 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 100.3 secs Computing kpt #: 26 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 105.6 secs Computing kpt #: 27 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 110.7 secs Computing kpt #: 28 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 117.1 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 123.2 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 129.4 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 134.2 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 139.2 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 144.1 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 149.1 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 153.9 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.4 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 165.8 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 171.4 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 177.4 secs Computing kpt #: 40 total cpu time spent up to now is 183.0 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 188.2 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 193.1 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 198.3 secs Computing kpt #: 44 total cpu time spent up to now is 204.9 secs Computing kpt #: 45 total cpu time spent up to now is 209.3 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 216.0 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.9 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 225.7 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 230.4 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 235.3 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 240.0 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 244.8 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 249.8 secs Computing kpt #: 54 total cpu time spent up to now is 253.5 secs Computing kpt #: 55 total cpu time spent up to now is 257.1 secs Computing kpt #: 56 total cpu time spent up to now is 263.1 secs Computing kpt #: 57 total cpu time spent up to now is 266.4 secs Computing kpt #: 58 total cpu time spent up to now is 269.5 secs Computing kpt #: 59 total cpu time spent up to now is 272.5 secs Computing kpt #: 60 total cpu time spent up to now is 275.5 secs Computing kpt #: 61 total cpu time spent up to now is 278.9 secs Computing kpt #: 62 total cpu time spent up to now is 282.8 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 288.7 secs Computing kpt #: 64 total cpu time spent up to now is 293.8 secs Computing kpt #: 65 total cpu time spent up to now is 300.0 secs Computing kpt #: 66 total cpu time spent up to now is 303.4 secs Computing kpt #: 67 total cpu time spent up to now is 307.0 secs Computing kpt #: 68 total cpu time spent up to now is 310.1 secs Computing kpt #: 69 total cpu time spent up to now is 313.1 secs Computing kpt #: 70 total cpu time spent up to now is 316.5 secs Computing kpt #: 71 total cpu time spent up to now is 319.6 secs Computing kpt #: 72 total cpu time spent up to now is 322.6 secs Computing kpt #: 73 total cpu time spent up to now is 325.6 secs Computing kpt #: 74 total cpu time spent up to now is 328.5 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 333.6 secs Computing kpt #: 76 total cpu time spent up to now is 337.6 secs Computing kpt #: 77 total cpu time spent up to now is 341.2 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 347.1 secs Computing kpt #: 79 total cpu time spent up to now is 351.4 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 356.3 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 361.2 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 366.2 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 371.1 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 376.1 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 381.7 secs Computing kpt #: 86 total cpu time spent up to now is 385.4 secs Computing kpt #: 87 total cpu time spent up to now is 389.6 secs Computing kpt #: 88 total cpu time spent up to now is 393.7 secs Computing kpt #: 89 total cpu time spent up to now is 397.7 secs Computing kpt #: 90 total cpu time spent up to now is 401.4 secs Computing kpt #: 91 total cpu time spent up to now is 405.4 secs Computing kpt #: 92 total cpu time spent up to now is 409.2 secs Computing kpt #: 93 total cpu time spent up to now is 412.8 secs Computing kpt #: 94 total cpu time spent up to now is 416.4 secs Computing kpt #: 95 total cpu time spent up to now is 420.6 secs Computing kpt #: 96 total cpu time spent up to now is 424.6 secs Computing kpt #: 97 total cpu time spent up to now is 428.6 secs Computing kpt #: 98 total cpu time spent up to now is 431.9 secs Computing kpt #: 99 total cpu time spent up to now is 435.2 secs Computing kpt #: 100 total cpu time spent up to now is 438.0 secs Computing kpt #: 101 total cpu time spent up to now is 440.7 secs Computing kpt #: 102 total cpu time spent up to now is 443.4 secs Computing kpt #: 103 total cpu time spent up to now is 446.1 secs Computing kpt #: 104 total cpu time spent up to now is 448.8 secs Computing kpt #: 105 total cpu time spent up to now is 451.4 secs Computing kpt #: 106 total cpu time spent up to now is 454.5 secs Computing kpt #: 107 total cpu time spent up to now is 457.3 secs Computing kpt #: 108 total cpu time spent up to now is 460.2 secs Computing kpt #: 109 total cpu time spent up to now is 463.0 secs Computing kpt #: 110 total cpu time spent up to now is 465.8 secs Computing kpt #: 111 total cpu time spent up to now is 469.3 secs Computing kpt #: 112 total cpu time spent up to now is 473.3 secs Computing kpt #: 113 total cpu time spent up to now is 477.5 secs Computing kpt #: 114 total cpu time spent up to now is 481.8 secs Computing kpt #: 115 total cpu time spent up to now is 486.4 secs Computing kpt #: 116 total cpu time spent up to now is 490.8 secs Computing kpt #: 117 total cpu time spent up to now is 495.8 secs Computing kpt #: 118 total cpu time spent up to now is 500.4 secs Computing kpt #: 119 total cpu time spent up to now is 504.8 secs Computing kpt #: 120 total cpu time spent up to now is 509.5 secs Computing kpt #: 121 total cpu time spent up to now is 513.5 secs Computing kpt #: 122 total cpu time spent up to now is 516.6 secs Computing kpt #: 123 total cpu time spent up to now is 520.6 secs Computing kpt #: 124 total cpu time spent up to now is 524.1 secs Computing kpt #: 125 total cpu time spent up to now is 527.9 secs Computing kpt #: 126 total cpu time spent up to now is 531.1 secs Computing kpt #: 127 total cpu time spent up to now is 535.1 secs Computing kpt #: 128 total cpu time spent up to now is 538.7 secs Computing kpt #: 129 total cpu time spent up to now is 542.7 secs Computing kpt #: 130 total cpu time spent up to now is 546.5 secs Computing kpt #: 131 total cpu time spent up to now is 550.5 secs Computing kpt #: 132 total cpu time spent up to now is 554.3 secs Computing kpt #: 133 total cpu time spent up to now is 557.8 secs Computing kpt #: 134 total cpu time spent up to now is 561.7 secs Computing kpt #: 135 total cpu time spent up to now is 565.5 secs Computing kpt #: 136 total cpu time spent up to now is 570.3 secs Computing kpt #: 137 total cpu time spent up to now is 575.2 secs Computing kpt #: 138 total cpu time spent up to now is 579.9 secs Computing kpt #: 139 total cpu time spent up to now is 585.5 secs Computing kpt #: 140 total cpu time spent up to now is 590.4 secs Computing kpt #: 141 total cpu time spent up to now is 594.5 secs Computing kpt #: 142 total cpu time spent up to now is 598.2 secs Computing kpt #: 143 total cpu time spent up to now is 601.4 secs Computing kpt #: 144 total cpu time spent up to now is 604.8 secs Computing kpt #: 145 total cpu time spent up to now is 609.0 secs Computing kpt #: 146 total cpu time spent up to now is 612.1 secs Computing kpt #: 147 total cpu time spent up to now is 615.4 secs Computing kpt #: 148 total cpu time spent up to now is 618.6 secs Computing kpt #: 149 total cpu time spent up to now is 622.5 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 627.0 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 632.1 secs Computing kpt #: 152 total cpu time spent up to now is 636.1 secs Computing kpt #: 153 total cpu time spent up to now is 640.1 secs Computing kpt #: 154 total cpu time spent up to now is 643.1 secs Computing kpt #: 155 total cpu time spent up to now is 646.1 secs Computing kpt #: 156 total cpu time spent up to now is 649.0 secs Computing kpt #: 157 total cpu time spent up to now is 651.8 secs Computing kpt #: 158 total cpu time spent up to now is 654.8 secs Computing kpt #: 159 total cpu time spent up to now is 657.6 secs Computing kpt #: 160 total cpu time spent up to now is 660.8 secs Computing kpt #: 161 total cpu time spent up to now is 665.5 secs Computing kpt #: 162 total cpu time spent up to now is 669.9 secs Computing kpt #: 163 total cpu time spent up to now is 674.3 secs Computing kpt #: 164 total cpu time spent up to now is 678.3 secs Computing kpt #: 165 total cpu time spent up to now is 682.4 secs Computing kpt #: 166 total cpu time spent up to now is 685.7 secs Computing kpt #: 167 total cpu time spent up to now is 688.9 secs Computing kpt #: 168 total cpu time spent up to now is 692.6 secs Computing kpt #: 169 total cpu time spent up to now is 696.7 secs Computing kpt #: 170 total cpu time spent up to now is 700.6 secs Computing kpt #: 171 total cpu time spent up to now is 705.0 secs Computing kpt #: 172 total cpu time spent up to now is 709.9 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 714.7 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 719.6 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 724.3 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 729.1 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 733.9 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 738.7 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 743.6 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 748.3 secs Computing kpt #: 181 total cpu time spent up to now is 754.9 secs Computing kpt #: 182 total cpu time spent up to now is 759.0 secs Computing kpt #: 183 total cpu time spent up to now is 762.7 secs Computing kpt #: 184 total cpu time spent up to now is 767.7 secs Computing kpt #: 185 total cpu time spent up to now is 771.9 secs Computing kpt #: 186 total cpu time spent up to now is 775.1 secs Computing kpt #: 187 total cpu time spent up to now is 779.0 secs Computing kpt #: 188 total cpu time spent up to now is 782.1 secs Computing kpt #: 189 total cpu time spent up to now is 785.5 secs Computing kpt #: 190 total cpu time spent up to now is 788.5 secs Computing kpt #: 191 total cpu time spent up to now is 791.6 secs Computing kpt #: 192 total cpu time spent up to now is 794.4 secs Computing kpt #: 193 total cpu time spent up to now is 797.3 secs Computing kpt #: 194 total cpu time spent up to now is 800.1 secs Computing kpt #: 195 total cpu time spent up to now is 803.0 secs Computing kpt #: 196 total cpu time spent up to now is 805.7 secs Computing kpt #: 197 total cpu time spent up to now is 808.5 secs Computing kpt #: 198 total cpu time spent up to now is 811.0 secs Computing kpt #: 199 total cpu time spent up to now is 813.8 secs Computing kpt #: 200 total cpu time spent up to now is 816.6 secs Computing kpt #: 201 total cpu time spent up to now is 819.4 secs Computing kpt #: 202 total cpu time spent up to now is 822.3 secs Computing kpt #: 203 total cpu time spent up to now is 826.1 secs Computing kpt #: 204 total cpu time spent up to now is 830.3 secs Computing kpt #: 205 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 835.5 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 841.8 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 848.5 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 855.1 secs Computing kpt #: 209 total cpu time spent up to now is 860.1 secs Computing kpt #: 210 total cpu time spent up to now is 863.8 secs Computing kpt #: 211 total cpu time spent up to now is 866.6 secs Computing kpt #: 212 total cpu time spent up to now is 869.3 secs Computing kpt #: 213 total cpu time spent up to now is 872.0 secs Computing kpt #: 214 total cpu time spent up to now is 874.8 secs Computing kpt #: 215 total cpu time spent up to now is 877.3 secs Computing kpt #: 216 total cpu time spent up to now is 880.0 secs Computing kpt #: 217 total cpu time spent up to now is 882.6 secs Computing kpt #: 218 total cpu time spent up to now is 885.2 secs Computing kpt #: 219 total cpu time spent up to now is 887.9 secs Computing kpt #: 220 total cpu time spent up to now is 890.7 secs Computing kpt #: 221 total cpu time spent up to now is 893.6 secs Computing kpt #: 222 total cpu time spent up to now is 896.2 secs Computing kpt #: 223 total cpu time spent up to now is 899.0 secs Computing kpt #: 224 total cpu time spent up to now is 901.9 secs Computing kpt #: 225 total cpu time spent up to now is 904.6 secs Computing kpt #: 226 total cpu time spent up to now is 907.3 secs Computing kpt #: 227 total cpu time spent up to now is 910.1 secs Computing kpt #: 228 total cpu time spent up to now is 912.7 secs Computing kpt #: 229 total cpu time spent up to now is 915.4 secs Computing kpt #: 230 total cpu time spent up to now is 918.3 secs Computing kpt #: 231 total cpu time spent up to now is 921.1 secs Computing kpt #: 232 total cpu time spent up to now is 924.2 secs Computing kpt #: 233 total cpu time spent up to now is 927.9 secs Computing kpt #: 234 total cpu time spent up to now is 931.3 secs Computing kpt #: 235 total cpu time spent up to now is 935.4 secs Computing kpt #: 236 total cpu time spent up to now is 939.6 secs Computing kpt #: 237 total cpu time spent up to now is 943.6 secs Computing kpt #: 238 total cpu time spent up to now is 947.1 secs Computing kpt #: 239 total cpu time spent up to now is 951.1 secs Computing kpt #: 240 total cpu time spent up to now is 954.5 secs Computing kpt #: 241 total cpu time spent up to now is 957.4 secs Computing kpt #: 242 total cpu time spent up to now is 960.4 secs Computing kpt #: 243 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 965.3 secs Computing kpt #: 244 total cpu time spent up to now is 968.9 secs Computing kpt #: 245 total cpu time spent up to now is 973.5 secs Computing kpt #: 246 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 978.1 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 982.9 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 987.8 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 992.8 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 997.8 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1002.7 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1007.5 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1013.2 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1019.0 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1025.5 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1032.7 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1039.5 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1045.8 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1051.5 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1056.5 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1061.5 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1066.3 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1071.1 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1076.1 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1080.9 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1086.1 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1090.9 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1095.5 secs ethr = 1.39E-08, avg # of iterations = 81.2 total cpu time spent up to now is 1095.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7771 PWs) bands (ev): -20.9761 -20.9761 -20.3537 -20.3537 -18.7897 -18.7897 -18.7854 -18.7854 -18.7546 -18.7546 -18.0788 -18.0788 -17.9436 -17.9436 -17.9385 -17.9385 -12.3585 -12.3585 -12.2986 -12.2986 -9.1846 -9.1846 -7.5808 -7.5808 -7.2496 -7.2496 -7.0298 -7.0298 -7.0243 -7.0243 -5.0004 -5.0004 -4.9936 -4.9936 -4.7025 -4.7025 -4.2253 -4.2253 -3.6329 -3.6329 -3.5656 -3.5656 -3.5516 -3.5516 -2.9086 -2.9086 -2.6160 -2.6160 -2.2939 -2.2939 -2.1932 -2.1932 -2.1721 -2.1721 -1.9934 -1.9934 -1.9607 -1.9607 -1.3757 -1.3757 -1.3733 -1.3733 -1.0707 -1.0707 -1.0659 -1.0659 -0.9864 -0.9864 -0.5281 -0.5281 -0.5106 -0.5106 -0.4967 -0.4967 -0.4716 -0.4716 -0.2858 -0.2858 -0.2806 -0.2806 5.7257 5.7257 7.9602 7.9602 7.9765 7.9765 k = 0.0000 0.0000 0.0204 ( 7783 PWs) bands (ev): -20.9758 -20.9758 -20.3543 -20.3543 -18.7895 -18.7893 -18.7850 -18.7850 -18.7548 -18.7545 -18.0788 -18.0785 -17.9440 -17.9438 -17.9388 -17.9388 -12.3584 -12.3584 -12.2987 -12.2987 -9.1840 -9.1839 -7.5805 -7.5802 -7.2608 -7.2608 -7.0281 -7.0277 -7.0153 -7.0153 -5.0010 -5.0008 -4.9941 -4.9940 -4.7029 -4.7023 -4.2248 -4.2248 -3.6333 -3.6331 -3.5657 -3.5653 -3.5516 -3.5513 -2.9082 -2.9081 -2.6162 -2.6161 -2.2959 -2.2953 -2.1937 -2.1927 -2.1723 -2.1721 -1.9936 -1.9932 -1.9596 -1.9595 -1.3767 -1.3756 -1.3737 -1.3731 -1.0707 -1.0705 -1.0659 -1.0658 -0.9869 -0.9854 -0.5285 -0.5280 -0.5106 -0.5106 -0.4968 -0.4967 -0.4718 -0.4710 -0.2861 -0.2856 -0.2808 -0.2806 5.7282 5.7282 7.9605 7.9609 7.9769 7.9770 k = 0.0000 0.0000 0.0409 ( 7775 PWs) bands (ev): -20.9748 -20.9748 -20.3562 -20.3562 -18.7890 -18.7886 -18.7835 -18.7833 -18.7551 -18.7546 -18.0785 -18.0780 -17.9451 -17.9447 -17.9395 -17.9394 -12.3582 -12.3582 -12.2987 -12.2987 -9.1820 -9.1820 -7.5793 -7.5787 -7.2896 -7.2895 -7.0285 -7.0278 -6.9874 -6.9874 -5.0027 -5.0026 -4.9949 -4.9946 -4.7035 -4.7024 -4.2234 -4.2234 -3.6343 -3.6340 -3.5658 -3.5650 -3.5513 -3.5509 -2.9070 -2.9067 -2.6167 -2.6165 -2.3010 -2.2999 -2.1949 -2.1929 -2.1719 -2.1717 -1.9939 -1.9932 -1.9562 -1.9559 -1.3797 -1.3777 -1.3727 -1.3719 -1.0708 -1.0703 -1.0659 -1.0657 -0.9869 -0.9839 -0.5290 -0.5283 -0.5108 -0.5106 -0.4970 -0.4966 -0.4717 -0.4700 -0.2866 -0.2857 -0.2810 -0.2806 5.7359 5.7359 7.9620 7.9628 7.9786 7.9787 k = 0.0000 0.0000 0.0613 ( 7767 PWs) bands (ev): -20.9732 -20.9732 -20.3593 -20.3593 -18.7887 -18.7881 -18.7803 -18.7800 -18.7555 -18.7547 -18.0780 -18.0773 -17.9469 -17.9466 -17.9405 -17.9402 -12.3579 -12.3579 -12.2988 -12.2988 -9.1787 -9.1787 -7.5772 -7.5763 -7.3281 -7.3279 -7.0296 -7.0286 -6.9496 -6.9496 -5.0064 -5.0064 -4.9954 -4.9948 -4.7044 -4.7028 -4.2211 -4.2210 -3.6360 -3.6355 -3.5661 -3.5649 -3.5506 -3.5499 -2.9048 -2.9044 -2.6174 -2.6171 -2.3087 -2.3072 -2.1983 -2.1955 -2.1697 -2.1694 -1.9942 -1.9935 -1.9507 -1.9500 -1.3847 -1.3822 -1.3702 -1.3694 -1.0708 -1.0700 -1.0657 -1.0653 -0.9864 -0.9820 -0.5298 -0.5288 -0.5112 -0.5109 -0.4972 -0.4963 -0.4711 -0.4688 -0.2875 -0.2863 -0.2811 -0.2804 5.7486 5.7486 7.9645 7.9657 7.9813 7.9815 k = 0.0000 0.0000 0.0818 ( 7761 PWs) bands (ev): -20.9709 -20.9709 -20.3635 -20.3635 -18.7887 -18.7878 -18.7754 -18.7750 -18.7560 -18.7549 -18.0773 -18.0763 -17.9498 -17.9496 -17.9415 -17.9410 -12.3574 -12.3574 -12.2989 -12.2989 -9.1741 -9.1741 -7.5743 -7.5730 -7.3716 -7.3714 -7.0314 -7.0300 -6.9069 -6.9069 -5.0124 -5.0123 -4.9954 -4.9944 -4.7057 -4.7035 -4.2178 -4.2177 -3.6381 -3.6375 -3.5669 -3.5653 -3.5490 -3.5482 -2.9018 -2.9012 -2.6184 -2.6179 -2.3185 -2.3167 -2.2042 -2.2010 -2.1657 -2.1651 -1.9947 -1.9941 -1.9433 -1.9423 -1.3916 -1.3885 -1.3668 -1.3658 -1.0707 -1.0696 -1.0655 -1.0649 -0.9854 -0.9797 -0.5308 -0.5295 -0.5121 -0.5114 -0.4971 -0.4955 -0.4702 -0.4675 -0.2890 -0.2876 -0.2810 -0.2798 5.7663 5.7664 7.9681 7.9698 7.9852 7.9855 k = 0.0000 0.0000 0.1022 ( 7757 PWs) bands (ev): -20.9680 -20.9680 -20.3690 -20.3690 -18.7888 -18.7878 -18.7692 -18.7684 -18.7566 -18.7549 -18.0763 -18.0751 -17.9539 -17.9537 -17.9426 -17.9418 -12.3568 -12.3567 -12.2991 -12.2991 -9.1681 -9.1681 -7.5705 -7.5689 -7.4178 -7.4176 -7.0335 -7.0319 -6.8616 -6.8616 -5.0204 -5.0201 -4.9950 -4.9937 -4.7073 -4.7047 -4.2135 -4.2135 -3.6407 -3.6399 -3.5685 -3.5665 -3.5466 -3.5456 -2.8980 -2.8972 -2.6196 -2.6190 -2.3298 -2.3278 -2.2122 -2.2087 -2.1603 -2.1595 -1.9954 -1.9950 -1.9344 -1.9331 -1.4002 -1.3966 -1.3623 -1.3613 -1.0707 -1.0692 -1.0652 -1.0643 -0.9840 -0.9772 -0.5319 -0.5304 -0.5133 -0.5125 -0.4965 -0.4943 -0.4690 -0.4660 -0.2910 -0.2896 -0.2806 -0.2789 5.7890 5.7891 7.9729 7.9750 7.9902 7.9906 k = 0.0000 0.0000 0.1227 ( 7748 PWs) bands (ev): -20.9644 -20.9644 -20.3755 -20.3755 -18.7891 -18.7879 -18.7625 -18.7607 -18.7569 -18.7541 -18.0751 -18.0736 -17.9589 -17.9588 -17.9437 -17.9426 -12.3560 -12.3560 -12.2993 -12.2993 -9.1609 -9.1609 -7.5658 -7.5640 -7.4656 -7.4654 -7.0362 -7.0342 -6.8149 -6.8149 -5.0300 -5.0297 -4.9943 -4.9927 -4.7095 -4.7064 -4.2083 -4.2082 -3.6435 -3.6425 -3.5709 -3.5686 -3.5432 -3.5421 -2.8932 -2.8923 -2.6211 -2.6204 -2.3424 -2.3401 -2.2217 -2.2180 -2.1542 -2.1532 -1.9963 -1.9962 -1.9244 -1.9227 -1.4103 -1.4062 -1.3570 -1.3558 -1.0706 -1.0688 -1.0647 -1.0634 -0.9824 -0.9745 -0.5331 -0.5315 -0.5149 -0.5142 -0.4953 -0.4925 -0.4675 -0.4643 -0.2936 -0.2921 -0.2800 -0.2778 5.8165 5.8166 7.9788 7.9813 7.9964 7.9969 k = 0.0000 0.0000 0.1431 ( 7750 PWs) bands (ev): -20.9602 -20.9602 -20.3832 -20.3832 -18.7894 -18.7880 -18.7591 -18.7586 -18.7505 -18.7488 -18.0737 -18.0720 -17.9650 -17.9649 -17.9448 -17.9435 -12.3551 -12.3551 -12.2995 -12.2995 -9.1523 -9.1523 -7.5603 -7.5582 -7.5143 -7.5141 -7.0394 -7.0371 -6.7675 -6.7674 -5.0413 -5.0410 -4.9935 -4.9916 -4.7122 -4.7087 -4.2021 -4.2020 -3.6463 -3.6452 -3.5741 -3.5715 -3.5392 -3.5378 -2.8877 -2.8866 -2.6228 -2.6219 -2.3558 -2.3534 -2.2324 -2.2286 -2.1479 -2.1468 -1.9976 -1.9975 -1.9135 -1.9115 -1.4217 -1.4173 -1.3508 -1.3495 -1.0706 -1.0685 -1.0640 -1.0624 -0.9805 -0.9718 -0.5344 -0.5326 -0.5168 -0.5163 -0.4935 -0.4904 -0.4658 -0.4626 -0.2967 -0.2951 -0.2794 -0.2767 5.8488 5.8489 7.9859 7.9888 8.0038 8.0044 k = 0.0000 0.0000 0.1636 ( 7742 PWs) bands (ev): -20.9554 -20.9554 -20.3918 -20.3918 -18.7897 -18.7881 -18.7594 -18.7589 -18.7398 -18.7390 -18.0721 -18.0701 -17.9720 -17.9720 -17.9460 -17.9445 -12.3541 -12.3541 -12.2998 -12.2998 -9.1424 -9.1424 -7.5639 -7.5638 -7.5535 -7.5513 -7.0431 -7.0404 -6.7195 -6.7194 -5.0542 -5.0539 -4.9924 -4.9902 -4.7156 -4.7117 -4.1949 -4.1948 -3.6491 -3.6478 -3.5780 -3.5752 -3.5346 -3.5330 -2.8813 -2.8801 -2.6246 -2.6236 -2.3700 -2.3674 -2.2438 -2.2400 -2.1415 -2.1403 -1.9992 -1.9988 -1.9020 -1.8999 -1.4343 -1.4296 -1.3439 -1.3424 -1.0706 -1.0683 -1.0631 -1.0612 -0.9786 -0.9692 -0.5357 -0.5338 -0.5187 -0.5187 -0.4912 -0.4879 -0.4639 -0.4608 -0.3003 -0.2985 -0.2787 -0.2756 5.8856 5.8857 7.9942 7.9975 8.0124 8.0132 k = 0.0000 0.0000 0.1840 ( 7754 PWs) bands (ev): -20.9499 -20.9499 -20.4014 -20.4014 -18.7900 -18.7883 -18.7604 -18.7594 -18.7278 -18.7273 -18.0702 -18.0680 -17.9800 -17.9800 -17.9474 -17.9456 -12.3530 -12.3530 -12.3001 -12.3001 -9.1311 -9.1311 -7.6134 -7.6133 -7.5467 -7.5440 -7.0473 -7.0443 -6.6712 -6.6711 -5.0685 -5.0682 -4.9913 -4.9888 -4.7198 -4.7155 -4.1867 -4.1865 -3.6517 -3.6502 -3.5827 -3.5797 -3.5296 -3.5279 -2.8741 -2.8727 -2.6266 -2.6255 -2.3847 -2.3819 -2.2560 -2.2521 -2.1352 -2.1339 -2.0009 -2.0003 -1.8903 -1.8881 -1.4478 -1.4430 -1.3362 -1.3346 -1.0707 -1.0682 -1.0619 -1.0598 -0.9766 -0.9666 -0.5370 -0.5350 -0.5213 -0.5206 -0.4885 -0.4851 -0.4619 -0.4589 -0.3042 -0.3022 -0.2781 -0.2746 5.9269 5.9270 8.0037 8.0074 8.0223 8.0232 k = 0.0000 0.0000 0.2045 ( 7740 PWs) bands (ev): -20.9439 -20.9439 -20.4119 -20.4119 -18.7904 -18.7885 -18.7615 -18.7602 -18.7147 -18.7143 -18.0682 -18.0657 -17.9889 -17.9888 -17.9488 -17.9468 -12.3518 -12.3518 -12.3005 -12.3005 -9.1185 -9.1185 -7.6633 -7.6632 -7.5387 -7.5358 -7.0520 -7.0488 -6.6227 -6.6226 -5.0843 -5.0840 -4.9900 -4.9872 -4.7248 -4.7202 -4.1775 -4.1772 -3.6539 -3.6521 -3.5880 -3.5849 -3.5243 -3.5224 -2.8661 -2.8646 -2.6287 -2.6275 -2.3997 -2.3967 -2.2687 -2.2648 -2.1292 -2.1278 -2.0028 -2.0020 -1.8786 -1.8763 -1.4622 -1.4574 -1.3279 -1.3262 -1.0709 -1.0683 -1.0605 -1.0581 -0.9747 -0.9643 -0.5382 -0.5361 -0.5239 -0.5224 -0.4855 -0.4821 -0.4597 -0.4570 -0.3085 -0.3063 -0.2776 -0.2737 5.9724 5.9725 8.0145 8.0186 8.0334 8.0345 k = 0.0000 0.0000 0.2249 ( 7744 PWs) bands (ev): -20.9372 -20.9372 -20.4232 -20.4232 -18.7908 -18.7887 -18.7627 -18.7612 -18.7004 -18.7001 -18.0660 -18.0633 -17.9987 -17.9985 -17.9504 -17.9482 -12.3505 -12.3505 -12.3009 -12.3009 -9.1046 -9.1046 -7.7133 -7.7132 -7.5300 -7.5268 -7.0573 -7.0538 -6.5741 -6.5739 -5.1015 -5.1012 -4.9886 -4.9856 -4.7307 -4.7257 -4.1673 -4.1669 -3.6554 -3.6535 -3.5941 -3.5908 -3.5190 -3.5169 -2.8573 -2.8557 -2.6309 -2.6296 -2.4149 -2.4118 -2.2818 -2.2779 -2.1233 -2.1219 -2.0048 -2.0038 -1.8670 -1.8647 -1.4773 -1.4724 -1.3190 -1.3172 -1.0712 -1.0686 -1.0588 -1.0562 -0.9729 -0.9621 -0.5393 -0.5371 -0.5263 -0.5241 -0.4823 -0.4789 -0.4574 -0.4549 -0.3130 -0.3107 -0.2774 -0.2731 6.0220 6.0222 8.0266 8.0311 8.0458 8.0470 k = 0.0000 0.0000 0.2454 ( 7750 PWs) bands (ev): -20.9299 -20.9299 -20.4353 -20.4353 -18.7911 -18.7889 -18.7640 -18.7623 -18.6851 -18.6849 -18.0637 -18.0607 -18.0094 -18.0090 -17.9521 -17.9497 -12.3491 -12.3491 -12.3014 -12.3014 -9.0893 -9.0893 -7.7633 -7.7632 -7.5205 -7.5170 -7.0632 -7.0594 -6.5255 -6.5253 -5.1200 -5.1198 -4.9871 -4.9838 -4.7374 -4.7322 -4.1560 -4.1557 -3.6564 -3.6542 -3.6008 -3.5974 -3.5136 -3.5114 -2.8478 -2.8461 -2.6332 -2.6317 -2.4303 -2.4270 -2.2954 -2.2915 -2.1177 -2.1163 -2.0068 -2.0057 -1.8557 -1.8534 -1.4929 -1.4881 -1.3097 -1.3077 -1.0717 -1.0691 -1.0569 -1.0541 -0.9713 -0.9603 -0.5402 -0.5380 -0.5285 -0.5254 -0.4788 -0.4755 -0.4550 -0.4528 -0.3178 -0.3153 -0.2775 -0.2728 6.0756 6.0757 8.0399 8.0449 8.0594 8.0607 k = 0.0000 0.0000 0.2658 ( 7738 PWs) bands (ev): -20.9220 -20.9220 -20.4481 -20.4481 -18.7914 -18.7891 -18.7653 -18.7634 -18.6689 -18.6687 -18.0613 -18.0579 -18.0208 -18.0203 -17.9539 -17.9514 -12.3476 -12.3476 -12.3019 -12.3019 -9.0727 -9.0726 -7.8132 -7.8131 -7.5103 -7.5066 -7.0697 -7.0656 -6.4769 -6.4766 -5.1399 -5.1398 -4.9855 -4.9819 -4.7450 -4.7396 -4.1438 -4.1434 -3.6564 -3.6541 -3.6083 -3.6048 -3.5085 -3.5061 -2.8376 -2.8357 -2.6354 -2.6338 -2.4456 -2.4421 -2.3093 -2.3055 -2.1124 -2.1109 -2.0089 -2.0077 -1.8448 -1.8426 -1.5088 -1.5041 -1.2999 -1.2978 -1.0724 -1.0698 -1.0547 -1.0517 -0.9699 -0.9587 -0.5410 -0.5388 -0.5304 -0.5265 -0.4753 -0.4720 -0.4525 -0.4506 -0.3228 -0.3200 -0.2779 -0.2729 6.1328 6.1330 8.0547 8.0602 8.0743 8.0757 k = 0.0000 0.0000 0.2862 ( 7734 PWs) bands (ev): -20.9136 -20.9136 -20.4615 -20.4615 -18.7918 -18.7893 -18.7667 -18.7646 -18.6518 -18.6516 -18.0591 -18.0552 -18.0329 -18.0321 -17.9559 -17.9532 -12.3461 -12.3461 -12.3024 -12.3024 -9.0547 -9.0546 -7.8630 -7.8629 -7.4995 -7.4955 -7.0768 -7.0724 -6.4283 -6.4280 -5.1611 -5.1611 -4.9837 -4.9800 -4.7535 -4.7478 -4.1307 -4.1302 -3.6556 -3.6531 -3.6165 -3.6130 -3.5037 -3.5012 -2.8267 -2.8247 -2.6377 -2.6359 -2.4608 -2.4571 -2.3236 -2.3198 -2.1073 -2.1058 -2.0110 -2.0097 -1.8344 -1.8323 -1.5250 -1.5204 -1.2897 -1.2876 -1.0733 -1.0708 -1.0523 -1.0491 -0.9688 -0.9575 -0.5414 -0.5394 -0.5319 -0.5273 -0.4716 -0.4685 -0.4499 -0.4483 -0.3279 -0.3249 -0.2787 -0.2734 6.1935 6.1937 8.0707 8.0767 8.0904 8.0920 k = 0.0000 0.0000 0.3067 ( 7722 PWs) bands (ev): -20.9046 -20.9046 -20.4755 -20.4755 -18.7920 -18.7895 -18.7681 -18.7659 -18.6339 -18.6338 -18.0582 -18.0533 -18.0449 -18.0432 -17.9580 -17.9551 -12.3445 -12.3445 -12.3030 -12.3030 -9.0354 -9.0353 -7.9126 -7.9124 -7.4879 -7.4837 -7.0845 -7.0799 -6.3797 -6.3794 -5.1837 -5.1837 -4.9819 -4.9779 -4.7628 -4.7569 -4.1167 -4.1161 -3.6539 -3.6512 -3.6254 -3.6218 -3.4993 -3.4967 -2.8151 -2.8130 -2.6398 -2.6378 -2.4757 -2.4719 -2.3382 -2.3345 -2.1025 -2.1010 -2.0132 -2.0118 -1.8246 -1.8226 -1.5412 -1.5369 -1.2793 -1.2771 -1.0744 -1.0719 -1.0497 -1.0463 -0.9679 -0.9567 -0.5416 -0.5398 -0.5330 -0.5277 -0.4679 -0.4649 -0.4472 -0.4459 -0.3331 -0.3298 -0.2800 -0.2744 6.2575 6.2578 8.0881 8.0946 8.1077 8.1094 k = 0.0000 0.0000 0.3271 ( 7730 PWs) bands (ev): -20.8950 -20.8950 -20.4899 -20.4899 -18.7923 -18.7896 -18.7696 -18.7672 -18.6153 -18.6152 -18.0640 -18.0615 -18.0483 -18.0474 -17.9602 -17.9571 -12.3428 -12.3428 -12.3037 -12.3037 -9.0147 -9.0146 -7.9618 -7.9617 -7.4758 -7.4713 -7.0928 -7.0880 -6.3313 -6.3310 -5.2077 -5.2076 -4.9798 -4.9756 -4.7727 -4.7666 -4.1018 -4.1011 -3.6513 -3.6485 -3.6349 -3.6313 -3.4955 -3.4928 -2.8029 -2.8006 -2.6418 -2.6396 -2.4904 -2.4864 -2.3531 -2.3494 -2.0979 -2.0964 -2.0154 -2.0140 -1.8155 -1.8137 -1.5574 -1.5533 -1.2687 -1.2664 -1.0757 -1.0734 -1.0469 -1.0433 -0.9674 -0.9562 -0.5415 -0.5401 -0.5337 -0.5277 -0.4642 -0.4613 -0.4444 -0.4433 -0.3384 -0.3348 -0.2817 -0.2758 6.3246 6.3248 8.1067 8.1138 8.1262 8.1280 k = 0.0000 0.0000 0.3476 ( 7728 PWs) bands (ev): -20.8849 -20.8849 -20.5048 -20.5048 -18.7925 -18.7897 -18.7711 -18.7686 -18.5961 -18.5960 -18.0768 -18.0757 -18.0469 -18.0446 -17.9625 -17.9593 -12.3411 -12.3411 -12.3044 -12.3044 -8.9926 -8.9926 -8.0107 -8.0105 -7.4631 -7.4584 -7.1017 -7.0967 -6.2830 -6.2826 -5.2331 -5.2329 -4.9776 -4.9732 -4.7832 -4.7770 -4.0861 -4.0853 -3.6493 -3.6461 -3.6436 -3.6402 -3.4925 -3.4896 -2.7901 -2.7877 -2.6435 -2.6413 -2.5046 -2.5004 -2.3683 -2.3647 -2.0936 -2.0920 -2.0176 -2.0162 -1.8070 -1.8053 -1.5734 -1.5695 -1.2579 -1.2556 -1.0774 -1.0752 -1.0439 -1.0400 -0.9672 -0.9561 -0.5411 -0.5401 -0.5340 -0.5275 -0.4605 -0.4578 -0.4416 -0.4407 -0.3435 -0.3396 -0.2840 -0.2778 6.3945 6.3948 8.1264 8.1342 8.1458 8.1478 k = 0.0000 0.0000 0.3680 ( 7720 PWs) bands (ev): -20.8743 -20.8743 -20.5201 -20.5201 -18.7926 -18.7897 -18.7726 -18.7700 -18.5763 -18.5762 -18.0916 -18.0909 -18.0442 -18.0413 -17.9649 -17.9616 -12.3394 -12.3394 -12.3052 -12.3052 -8.9693 -8.9692 -8.0592 -8.0590 -7.4498 -7.4449 -7.1113 -7.1061 -6.2348 -6.2344 -5.2598 -5.2596 -4.9752 -4.9706 -4.7942 -4.7878 -4.0697 -4.0688 -3.6575 -3.6539 -3.6417 -3.6387 -3.4902 -3.4872 -2.7767 -2.7742 -2.6451 -2.6427 -2.5183 -2.5140 -2.3837 -2.3802 -2.0894 -2.0879 -2.0199 -2.0184 -1.7992 -1.7977 -1.5891 -1.5855 -1.2471 -1.2448 -1.0794 -1.0773 -1.0408 -1.0366 -0.9674 -0.9563 -0.5404 -0.5400 -0.5339 -0.5269 -0.4568 -0.4543 -0.4386 -0.4380 -0.3486 -0.3443 -0.2869 -0.2804 6.4670 6.4673 8.1472 8.1556 8.1664 8.1685 k = 0.0000 0.0000 0.3885 ( 7718 PWs) bands (ev): -20.8631 -20.8631 -20.5357 -20.5357 -18.7927 -18.7897 -18.7740 -18.7713 -18.5560 -18.5560 -18.1075 -18.1069 -18.0411 -18.0379 -17.9675 -17.9640 -12.3376 -12.3376 -12.3060 -12.3060 -8.9446 -8.9445 -8.1072 -8.1070 -7.4361 -7.4310 -7.1215 -7.1161 -6.1868 -6.1863 -5.2879 -5.2876 -4.9726 -4.9678 -4.8055 -4.7991 -4.0526 -4.0516 -3.6691 -3.6656 -3.6362 -3.6331 -3.4888 -3.4857 -2.7629 -2.7602 -2.6463 -2.6438 -2.5314 -2.5269 -2.3995 -2.3960 -2.0855 -2.0839 -2.0221 -2.0207 -1.7920 -1.7907 -1.6044 -1.6011 -1.2363 -1.2340 -1.0817 -1.0797 -1.0374 -1.0330 -0.9678 -0.9570 -0.5396 -0.5394 -0.5334 -0.5260 -0.4532 -0.4508 -0.4355 -0.4351 -0.3535 -0.3488 -0.2903 -0.2834 6.5419 6.5422 8.1684 8.1777 8.1875 8.1899 k = 0.0000 0.0000 0.4089 ( 7718 PWs) bands (ev): -20.8515 -20.8515 -20.5515 -20.5515 -18.7927 -18.7896 -18.7755 -18.7727 -18.5353 -18.5353 -18.1240 -18.1236 -18.0378 -18.0344 -17.9702 -17.9666 -12.3359 -12.3359 -12.3069 -12.3069 -8.9185 -8.9184 -8.1547 -8.1545 -7.4219 -7.4167 -7.1323 -7.1267 -6.1390 -6.1385 -5.3174 -5.3171 -4.9697 -4.9647 -4.8170 -4.8105 -4.0349 -4.0338 -3.6817 -3.6782 -3.6297 -3.6264 -3.4883 -3.4852 -2.7485 -2.7457 -2.6472 -2.6445 -2.5439 -2.5393 -2.4155 -2.4121 -2.0817 -2.0801 -2.0244 -2.0230 -1.7854 -1.7842 -1.6193 -1.6162 -1.2255 -1.2233 -1.0843 -1.0825 -1.0339 -1.0292 -0.9687 -0.9580 -0.5391 -0.5382 -0.5327 -0.5249 -0.4497 -0.4474 -0.4324 -0.4321 -0.3581 -0.3529 -0.2942 -0.2871 6.6188 6.6192 8.1880 8.1977 8.2070 8.2099 k = 0.0000 0.0000 0.4294 ( 7718 PWs) bands (ev): -20.8394 -20.8394 -20.5675 -20.5675 -18.7926 -18.7895 -18.7770 -18.7741 -18.5143 -18.5142 -18.1413 -18.1409 -18.0343 -18.0308 -17.9729 -17.9692 -12.3341 -12.3341 -12.3078 -12.3078 -8.8912 -8.8911 -8.2016 -8.2014 -7.4074 -7.4019 -7.1437 -7.1380 -6.0915 -6.0910 -5.3483 -5.3479 -4.9665 -4.9614 -4.8286 -4.8220 -4.0167 -4.0155 -3.6950 -3.6916 -3.6223 -3.6190 -3.4889 -3.4857 -2.7337 -2.7308 -2.6477 -2.6449 -2.5557 -2.5509 -2.4317 -2.4284 -2.0780 -2.0765 -2.0267 -2.0253 -1.7793 -1.7782 -1.6335 -1.6308 -1.2149 -1.2128 -1.0873 -1.0857 -1.0303 -1.0253 -0.9699 -0.9594 -0.5384 -0.5368 -0.5318 -0.5237 -0.4462 -0.4441 -0.4294 -0.4291 -0.3623 -0.3565 -0.2987 -0.2912 6.6977 6.6981 8.1695 8.1731 8.2212 8.2292 k = 0.0000 0.0000 0.4498 ( 7704 PWs) bands (ev): -20.8268 -20.8268 -20.5836 -20.5836 -18.7924 -18.7893 -18.7784 -18.7754 -18.4929 -18.4929 -18.1592 -18.1589 -18.0308 -18.0271 -17.9758 -17.9720 -12.3323 -12.3323 -12.3088 -12.3088 -8.8625 -8.8624 -8.2478 -8.2477 -7.3925 -7.3869 -7.1557 -7.1498 -6.0442 -6.0437 -5.3806 -5.3801 -4.9630 -4.9577 -4.8401 -4.8335 -3.9981 -3.9967 -3.7091 -3.7058 -3.6141 -3.6108 -3.4905 -3.4873 -2.7186 -2.7155 -2.6478 -2.6448 -2.5668 -2.5618 -2.4481 -2.4449 -2.0745 -2.0730 -2.0291 -2.0277 -1.7736 -1.7727 -1.6471 -1.6447 -1.2044 -1.2024 -1.0906 -1.0892 -1.0266 -1.0212 -0.9715 -0.9612 -0.5376 -0.5353 -0.5308 -0.5224 -0.4429 -0.4408 -0.4264 -0.4260 -0.3660 -0.3595 -0.3037 -0.2959 6.7782 6.7787 8.1017 8.1038 8.2429 8.2530 k = 0.0000 0.0000 0.4703 ( 7708 PWs) bands (ev): -20.8138 -20.8138 -20.5999 -20.5999 -18.7922 -18.7890 -18.7798 -18.7768 -18.4714 -18.4714 -18.1776 -18.1774 -18.0273 -18.0235 -17.9788 -17.9749 -12.3306 -12.3306 -12.3099 -12.3099 -8.8326 -8.8325 -8.2934 -8.2933 -7.3773 -7.3716 -7.1682 -7.1622 -5.9974 -5.9968 -5.4142 -5.4137 -4.9591 -4.9536 -4.8514 -4.8447 -3.9791 -3.9776 -3.7239 -3.7207 -3.6054 -3.6020 -3.4932 -3.4900 -2.7031 -2.6999 -2.6474 -2.6443 -2.5771 -2.5719 -2.4647 -2.4616 -2.0711 -2.0696 -2.0314 -2.0301 -1.7682 -1.7674 -1.6599 -1.6578 -1.1942 -1.1923 -1.0944 -1.0932 -1.0227 -1.0171 -0.9734 -0.9633 -0.5366 -0.5336 -0.5299 -0.5213 -0.4398 -0.4377 -0.4237 -0.4230 -0.3689 -0.3617 -0.3091 -0.3010 6.8602 6.8606 8.0269 8.0286 8.2673 8.2790 k = 0.0000 0.0000 0.4907 ( 7708 PWs) bands (ev): -20.8003 -20.8003 -20.6161 -20.6161 -18.7919 -18.7886 -18.7812 -18.7781 -18.4496 -18.4496 -18.1966 -18.1964 -18.0237 -18.0198 -17.9819 -17.9779 -12.3288 -12.3288 -12.3110 -12.3110 -8.8013 -8.8013 -8.3382 -8.3381 -7.3619 -7.3561 -7.1812 -7.1752 -5.9509 -5.9503 -5.4492 -5.4487 -4.9548 -4.9492 -4.8624 -4.8558 -3.9599 -3.9583 -3.7394 -3.7362 -3.5962 -3.5927 -3.4970 -3.4937 -2.6873 -2.6839 -2.6465 -2.6433 -2.5866 -2.5812 -2.4815 -2.4784 -2.0678 -2.0664 -2.0339 -2.0325 -1.7629 -1.7622 -1.6720 -1.6702 -1.1842 -1.1826 -1.0985 -1.0975 -1.0188 -1.0128 -0.9756 -0.9658 -0.5355 -0.5319 -0.5290 -0.5203 -0.4368 -0.4346 -0.4214 -0.4202 -0.3709 -0.3628 -0.3150 -0.3066 6.9433 6.9438 7.9492 7.9508 8.2902 8.3037 k = 0.0000 0.0000 0.5112 ( 7718 PWs) bands (ev): -20.7865 -20.7865 -20.6324 -20.6324 -18.7915 -18.7881 -18.7825 -18.7793 -18.4278 -18.4278 -18.2161 -18.2159 -18.0200 -18.0161 -17.9850 -17.9810 -12.3271 -12.3271 -12.3122 -12.3122 -8.7689 -8.7688 -8.3823 -8.3821 -7.3464 -7.3404 -7.1948 -7.1886 -5.9049 -5.9043 -5.4855 -5.4849 -4.9501 -4.9443 -4.8731 -4.8664 -3.9405 -3.9388 -3.7554 -3.7524 -3.5866 -3.5832 -3.5018 -3.4984 -2.6714 -2.6678 -2.6450 -2.6419 -2.5952 -2.5896 -2.4983 -2.4954 -2.0646 -2.0632 -2.0363 -2.0350 -1.7577 -1.7571 -1.6833 -1.6818 -1.1746 -1.1732 -1.1031 -1.1023 -1.0148 -1.0085 -0.9782 -0.9686 -0.5344 -0.5301 -0.5284 -0.5197 -0.4339 -0.4317 -0.4197 -0.4180 -0.3717 -0.3626 -0.3213 -0.3125 7.0273 7.0279 7.8697 7.8711 8.3139 8.3325 k = 0.0000 0.0000 0.5316 ( 7718 PWs) bands (ev): -20.7723 -20.7723 -20.6486 -20.6486 -18.7910 -18.7876 -18.7838 -18.7805 -18.4060 -18.4059 -18.2360 -18.2358 -18.0164 -18.0124 -17.9883 -17.9842 -12.3254 -12.3254 -12.3135 -12.3135 -8.7352 -8.7351 -8.4255 -8.4253 -7.3307 -7.3246 -7.2088 -7.2025 -5.8594 -5.8588 -5.5230 -5.5224 -4.9449 -4.9390 -4.8833 -4.8767 -3.9211 -3.9192 -3.7722 -3.7693 -3.5769 -3.5734 -3.5075 -3.5041 -2.6556 -2.6520 -2.6427 -2.6399 -2.6030 -2.5969 -2.5153 -2.5125 -2.0615 -2.0601 -2.0389 -2.0376 -1.7524 -1.7518 -1.6938 -1.6925 -1.1654 -1.1642 -1.1081 -1.1075 -1.0107 -1.0041 -0.9810 -0.9718 -0.5332 -0.5283 -0.5279 -0.5194 -0.4312 -0.4289 -0.4188 -0.4166 -0.3710 -0.3612 -0.3278 -0.3187 7.1121 7.1127 7.7886 7.7899 8.3360 8.3482 k = 0.0000 0.0000 0.5520 ( 7714 PWs) bands (ev): -20.7578 -20.7577 -20.6648 -20.6648 -18.7904 -18.7870 -18.7850 -18.7817 -18.3841 -18.3841 -18.2563 -18.2562 -18.0128 -18.0087 -17.9916 -17.9875 -12.3237 -12.3237 -12.3148 -12.3148 -8.7003 -8.7002 -8.4677 -8.4676 -7.3150 -7.3089 -7.2231 -7.2169 -5.8145 -5.8139 -5.5616 -5.5610 -4.9391 -4.9331 -4.8929 -4.8864 -3.9016 -3.8996 -3.7894 -3.7866 -3.5671 -3.5635 -3.5141 -3.5107 -2.6416 -2.6404 -2.6373 -2.6346 -2.6093 -2.6027 -2.5323 -2.5297 -2.0584 -2.0571 -2.0415 -2.0402 -1.7469 -1.7464 -1.7035 -1.7024 -1.1566 -1.1556 -1.1135 -1.1131 -1.0067 -0.9997 -0.9841 -0.9752 -0.5320 -0.5278 -0.5265 -0.5194 -0.4286 -0.4262 -0.4187 -0.4162 -0.3686 -0.3583 -0.3345 -0.3250 7.1973 7.1980 7.7062 7.7074 8.3573 8.3688 k = 0.0000 0.0000 0.5725 ( 7728 PWs) bands (ev): -20.7429 -20.7429 -20.6808 -20.6808 -18.7897 -18.7863 -18.7861 -18.7827 -18.3624 -18.3623 -18.2770 -18.2769 -18.0091 -18.0050 -17.9950 -17.9909 -12.3221 -12.3221 -12.3161 -12.3161 -8.6643 -8.6642 -8.5091 -8.5090 -7.2993 -7.2931 -7.2379 -7.2316 -5.7702 -5.7696 -5.6014 -5.6008 -4.9329 -4.9267 -4.9021 -4.8956 -3.8822 -3.8801 -3.8072 -3.8046 -3.5573 -3.5538 -3.5216 -3.5181 -2.6380 -2.6344 -2.6282 -2.6241 -2.6100 -2.6044 -2.5492 -2.5468 -2.0554 -2.0541 -2.0441 -2.0429 -1.7411 -1.7405 -1.7124 -1.7115 -1.1482 -1.1474 -1.1193 -1.1192 -1.0027 -0.9954 -0.9875 -0.9789 -0.5309 -0.5279 -0.5248 -0.5199 -0.4263 -0.4237 -0.4193 -0.4166 -0.3649 -0.3544 -0.3412 -0.3314 7.2828 7.2836 7.6228 7.6239 8.3774 8.3885 k = 0.0000 0.0000 0.5929 ( 7724 PWs) bands (ev): -20.7277 -20.7277 -20.6967 -20.6966 -18.7889 -18.7871 -18.7855 -18.7837 -18.3407 -18.3406 -18.2980 -18.2979 -18.0056 -18.0014 -17.9985 -17.9943 -12.3206 -12.3206 -12.3176 -12.3176 -8.6271 -8.6270 -8.5495 -8.5494 -7.2837 -7.2774 -7.2529 -7.2466 -5.7267 -5.7261 -5.6423 -5.6416 -4.9260 -4.9198 -4.9107 -4.9042 -3.8630 -3.8608 -3.8254 -3.8229 -3.5477 -3.5442 -3.5297 -3.5263 -2.6342 -2.6310 -2.6256 -2.6249 -2.5973 -2.5966 -2.5659 -2.5640 -2.0525 -2.0512 -2.0469 -2.0456 -1.7348 -1.7342 -1.7205 -1.7197 -1.1403 -1.1397 -1.1258 -1.1257 -0.9987 -0.9911 -0.9910 -0.9828 -0.5298 -0.5283 -0.5232 -0.5207 -0.4241 -0.4214 -0.4205 -0.4177 -0.3599 -0.3494 -0.3478 -0.3378 7.3683 7.3692 7.5385 7.5395 8.3888 8.4002 k = 0.0000 0.0000 0.6134 ( 7722 PWs) bands (ev): -20.7123 -20.7123 -20.7123 -20.7123 -18.7881 -18.7881 -18.7847 -18.7847 -18.3192 -18.3192 -18.3191 -18.3191 -18.0020 -18.0020 -17.9978 -17.9978 -12.3190 -12.3190 -12.3190 -12.3190 -8.5888 -8.5888 -8.5887 -8.5887 -7.2682 -7.2682 -7.2619 -7.2619 -5.6841 -5.6841 -5.6834 -5.6834 -4.9186 -4.9186 -4.9123 -4.9123 -3.8441 -3.8441 -3.8417 -3.8417 -3.5385 -3.5385 -3.5350 -3.5350 -2.6300 -2.6300 -2.6274 -2.6274 -2.5821 -2.5821 -2.5809 -2.5809 -2.0496 -2.0496 -2.0484 -2.0484 -1.7280 -1.7280 -1.7273 -1.7273 -1.1328 -1.1328 -1.1324 -1.1324 -0.9948 -0.9948 -0.9868 -0.9868 -0.5290 -0.5290 -0.5218 -0.5218 -0.4221 -0.4221 -0.4194 -0.4194 -0.3542 -0.3542 -0.3438 -0.3438 7.4536 7.4536 7.4546 7.4546 8.3970 8.3984 k = 0.0000 0.0000 0.6134 ( 7722 PWs) bands (ev): -20.7123 -20.7123 -20.7123 -20.7123 -18.7881 -18.7881 -18.7847 -18.7847 -18.3192 -18.3192 -18.3191 -18.3191 -18.0020 -18.0020 -17.9978 -17.9978 -12.3190 -12.3190 -12.3190 -12.3190 -8.5888 -8.5888 -8.5887 -8.5887 -7.2682 -7.2682 -7.2619 -7.2619 -5.6841 -5.6841 -5.6834 -5.6834 -4.9186 -4.9186 -4.9123 -4.9123 -3.8441 -3.8441 -3.8417 -3.8417 -3.5385 -3.5385 -3.5350 -3.5350 -2.6300 -2.6300 -2.6274 -2.6274 -2.5821 -2.5821 -2.5809 -2.5809 -2.0496 -2.0496 -2.0484 -2.0484 -1.7280 -1.7280 -1.7273 -1.7273 -1.1328 -1.1328 -1.1324 -1.1324 -0.9948 -0.9948 -0.9868 -0.9868 -0.5290 -0.5290 -0.5218 -0.5218 -0.4221 -0.4221 -0.4194 -0.4194 -0.3542 -0.3542 -0.3438 -0.3438 7.4536 7.4536 7.4546 7.4546 8.3966 8.3989 k =-0.0165 0.0117 0.6134 ( 7722 PWs) bands (ev): -20.7123 -20.7123 -20.7123 -20.7123 -18.7881 -18.7881 -18.7847 -18.7847 -18.3197 -18.3197 -18.3191 -18.3191 -18.0018 -18.0018 -17.9976 -17.9976 -12.3190 -12.3190 -12.3190 -12.3190 -8.5892 -8.5891 -8.5890 -8.5890 -7.2675 -7.2675 -7.2612 -7.2612 -5.6843 -5.6843 -5.6835 -5.6835 -4.9186 -4.9186 -4.9122 -4.9122 -3.8443 -3.8443 -3.8419 -3.8419 -3.5390 -3.5390 -3.5355 -3.5355 -2.6367 -2.6367 -2.6323 -2.6323 -2.5778 -2.5778 -2.5734 -2.5734 -2.0500 -2.0500 -2.0486 -2.0486 -1.7273 -1.7273 -1.7264 -1.7263 -1.1332 -1.1332 -1.1327 -1.1327 -0.9949 -0.9949 -0.9869 -0.9869 -0.5289 -0.5289 -0.5217 -0.5217 -0.4221 -0.4221 -0.4193 -0.4193 -0.3543 -0.3543 -0.3439 -0.3439 7.4536 7.4536 7.4546 7.4546 8.3907 8.3954 k =-0.0330 0.0235 0.6134 ( 7714 PWs) bands (ev): -20.7122 -20.7122 -20.7122 -20.7122 -18.7882 -18.7882 -18.7848 -18.7848 -18.3206 -18.3205 -18.3194 -18.3194 -18.0011 -18.0011 -17.9970 -17.9970 -12.3190 -12.3190 -12.3190 -12.3190 -8.5902 -8.5901 -8.5899 -8.5898 -7.2654 -7.2653 -7.2591 -7.2591 -5.6850 -5.6849 -5.6838 -5.6838 -4.9183 -4.9183 -4.9120 -4.9120 -3.8449 -3.8449 -3.8425 -3.8425 -3.5404 -3.5404 -3.5369 -3.5369 -2.6501 -2.6500 -2.6446 -2.6446 -2.5655 -2.5655 -2.5594 -2.5594 -2.0510 -2.0509 -2.0492 -2.0492 -1.7251 -1.7251 -1.7237 -1.7237 -1.1343 -1.1342 -1.1337 -1.1337 -0.9950 -0.9950 -0.9871 -0.9871 -0.5288 -0.5288 -0.5215 -0.5215 -0.4221 -0.4221 -0.4189 -0.4189 -0.3546 -0.3546 -0.3443 -0.3443 7.4535 7.4535 7.4546 7.4546 8.3748 8.3791 k =-0.0495 0.0352 0.6134 ( 7718 PWs) bands (ev): -20.7121 -20.7121 -20.7121 -20.7121 -18.7885 -18.7885 -18.7851 -18.7850 -18.3218 -18.3218 -18.3201 -18.3201 -18.0001 -18.0000 -17.9959 -17.9959 -12.3191 -12.3191 -12.3191 -12.3191 -8.5917 -8.5917 -8.5913 -8.5913 -7.2618 -7.2618 -7.2556 -7.2555 -5.6860 -5.6859 -5.6844 -5.6843 -4.9180 -4.9180 -4.9116 -4.9116 -3.8460 -3.8460 -3.8435 -3.8435 -3.5429 -3.5428 -3.5393 -3.5393 -2.6653 -2.6653 -2.6595 -2.6595 -2.5501 -2.5501 -2.5433 -2.5433 -2.0525 -2.0525 -2.0503 -2.0503 -1.7214 -1.7213 -1.7194 -1.7194 -1.1360 -1.1360 -1.1352 -1.1352 -0.9952 -0.9952 -0.9873 -0.9873 -0.5286 -0.5286 -0.5212 -0.5212 -0.4220 -0.4220 -0.4184 -0.4184 -0.3551 -0.3551 -0.3448 -0.3448 7.4535 7.4535 7.4547 7.4547 8.3516 8.3558 k =-0.0660 0.0469 0.6134 ( 7724 PWs) bands (ev): -20.7120 -20.7120 -20.7119 -20.7119 -18.7888 -18.7888 -18.7853 -18.7853 -18.3234 -18.3233 -18.3212 -18.3212 -17.9986 -17.9986 -17.9944 -17.9943 -12.3191 -12.3191 -12.3191 -12.3191 -8.5939 -8.5938 -8.5934 -8.5933 -7.2569 -7.2569 -7.2507 -7.2506 -5.6873 -5.6873 -5.6852 -5.6852 -4.9174 -4.9174 -4.9110 -4.9110 -3.8474 -3.8474 -3.8448 -3.8448 -3.5462 -3.5462 -3.5426 -3.5426 -2.6811 -2.6811 -2.6753 -2.6753 -2.5338 -2.5338 -2.5264 -2.5264 -2.0544 -2.0544 -2.0518 -2.0517 -1.7162 -1.7162 -1.7137 -1.7137 -1.1384 -1.1384 -1.1374 -1.1374 -0.9954 -0.9954 -0.9877 -0.9877 -0.5284 -0.5284 -0.5207 -0.5207 -0.4219 -0.4219 -0.4177 -0.4177 -0.3558 -0.3558 -0.3455 -0.3455 7.4534 7.4534 7.4548 7.4548 8.3235 8.3266 k =-0.0825 0.0586 0.6134 ( 7726 PWs) bands (ev): -20.7118 -20.7118 -20.7117 -20.7117 -18.7892 -18.7891 -18.7857 -18.7857 -18.3253 -18.3252 -18.3226 -18.3226 -17.9967 -17.9967 -17.9925 -17.9925 -12.3191 -12.3191 -12.3191 -12.3191 -8.5966 -8.5965 -8.5960 -8.5959 -7.2507 -7.2507 -7.2444 -7.2444 -5.6889 -5.6889 -5.6864 -5.6864 -4.9167 -4.9167 -4.9103 -4.9103 -3.8492 -3.8492 -3.8465 -3.8465 -3.5505 -3.5505 -3.5468 -3.5468 -2.6969 -2.6969 -2.6912 -2.6912 -2.5171 -2.5171 -2.5093 -2.5093 -2.0566 -2.0566 -2.0534 -2.0534 -1.7097 -1.7097 -1.7067 -1.7067 -1.1415 -1.1414 -1.1403 -1.1402 -0.9957 -0.9957 -0.9882 -0.9881 -0.5280 -0.5280 -0.5202 -0.5202 -0.4217 -0.4217 -0.4170 -0.4169 -0.3567 -0.3567 -0.3464 -0.3464 7.4532 7.4532 7.4548 7.4548 8.2914 8.2931 k =-0.0990 0.0704 0.6134 ( 7724 PWs) bands (ev): -20.7115 -20.7115 -20.7115 -20.7115 -18.7896 -18.7896 -18.7862 -18.7861 -18.3274 -18.3274 -18.3244 -18.3244 -17.9945 -17.9945 -17.9903 -17.9902 -12.3191 -12.3191 -12.3191 -12.3191 -8.5998 -8.5997 -8.5991 -8.5990 -7.2433 -7.2432 -7.2370 -7.2370 -5.6909 -5.6909 -5.6880 -5.6879 -4.9159 -4.9159 -4.9095 -4.9095 -3.8512 -3.8512 -3.8484 -3.8484 -3.5557 -3.5557 -3.5519 -3.5519 -2.7125 -2.7125 -2.7070 -2.7070 -2.5003 -2.5003 -2.4923 -2.4923 -2.0589 -2.0589 -2.0552 -2.0552 -1.7021 -1.7021 -1.6985 -1.6985 -1.1451 -1.1451 -1.1437 -1.1437 -0.9960 -0.9960 -0.9887 -0.9887 -0.5276 -0.5276 -0.5195 -0.5195 -0.4215 -0.4214 -0.4161 -0.4161 -0.3578 -0.3578 -0.3475 -0.3475 7.4531 7.4531 7.4549 7.4549 8.2576 8.2584 k =-0.1155 0.0821 0.6134 ( 7730 PWs) bands (ev): -20.7113 -20.7112 -20.7112 -20.7112 -18.7902 -18.7901 -18.7867 -18.7866 -18.3299 -18.3299 -18.3264 -18.3264 -17.9920 -17.9919 -17.9877 -17.9877 -12.3192 -12.3192 -12.3192 -12.3192 -8.6034 -8.6034 -8.6026 -8.6026 -7.2346 -7.2346 -7.2284 -7.2283 -5.6932 -5.6932 -5.6899 -5.6898 -4.9149 -4.9149 -4.9085 -4.9084 -3.8536 -3.8536 -3.8506 -3.8506 -3.5617 -3.5617 -3.5579 -3.5578 -2.7279 -2.7279 -2.7224 -2.7224 -2.4838 -2.4838 -2.4754 -2.4754 -2.0613 -2.0613 -2.0570 -2.0570 -1.6934 -1.6934 -1.6894 -1.6894 -1.1494 -1.1493 -1.1477 -1.1477 -0.9964 -0.9964 -0.9892 -0.9892 -0.5271 -0.5271 -0.5188 -0.5187 -0.4212 -0.4212 -0.4153 -0.4153 -0.3589 -0.3589 -0.3487 -0.3487 7.4529 7.4529 7.4549 7.4549 8.2226 8.2242 k =-0.1320 0.0938 0.6134 ( 7738 PWs) bands (ev): -20.7109 -20.7109 -20.7109 -20.7109 -18.7908 -18.7907 -18.7873 -18.7872 -18.3326 -18.3325 -18.3288 -18.3288 -17.9892 -17.9891 -17.9849 -17.9849 -12.3192 -12.3192 -12.3192 -12.3192 -8.6075 -8.6074 -8.6066 -8.6066 -7.2249 -7.2248 -7.2186 -7.2186 -5.6958 -5.6958 -5.6921 -5.6921 -4.9137 -4.9137 -4.9073 -4.9073 -3.8561 -3.8561 -3.8530 -3.8530 -3.5686 -3.5686 -3.5646 -3.5646 -2.7428 -2.7428 -2.7375 -2.7375 -2.4674 -2.4674 -2.4588 -2.4588 -2.0637 -2.0637 -2.0588 -2.0588 -1.6839 -1.6838 -1.6794 -1.6794 -1.1541 -1.1541 -1.1522 -1.1522 -0.9967 -0.9967 -0.9898 -0.9898 -0.5265 -0.5265 -0.5179 -0.5179 -0.4210 -0.4210 -0.4145 -0.4145 -0.3602 -0.3601 -0.3500 -0.3500 7.4527 7.4527 7.4549 7.4549 8.1871 8.1871 k =-0.1485 0.1055 0.6134 ( 7746 PWs) bands (ev): -20.7106 -20.7106 -20.7106 -20.7105 -18.7914 -18.7914 -18.7879 -18.7879 -18.3354 -18.3354 -18.3313 -18.3313 -17.9861 -17.9860 -17.9819 -17.9818 -12.3193 -12.3193 -12.3192 -12.3192 -8.6119 -8.6118 -8.6109 -8.6109 -7.2141 -7.2141 -7.2079 -7.2079 -5.6988 -5.6988 -5.6948 -5.6947 -4.9124 -4.9124 -4.9060 -4.9060 -3.8588 -3.8588 -3.8555 -3.8555 -3.5762 -3.5762 -3.5721 -3.5721 -2.7573 -2.7573 -2.7522 -2.7522 -2.4515 -2.4515 -2.4426 -2.4426 -2.0658 -2.0658 -2.0604 -2.0604 -1.6736 -1.6735 -1.6687 -1.6686 -1.1594 -1.1594 -1.1573 -1.1573 -0.9971 -0.9971 -0.9904 -0.9904 -0.5258 -0.5258 -0.5171 -0.5170 -0.4209 -0.4208 -0.4138 -0.4138 -0.3614 -0.3614 -0.3513 -0.3513 7.4524 7.4524 7.4549 7.4549 8.1515 8.1537 k =-0.1650 0.1173 0.6134 ( 7730 PWs) bands (ev): -20.7102 -20.7102 -20.7102 -20.7102 -18.7921 -18.7921 -18.7886 -18.7885 -18.3384 -18.3384 -18.3341 -18.3341 -17.9828 -17.9828 -17.9786 -17.9786 -12.3193 -12.3193 -12.3193 -12.3193 -8.6166 -8.6165 -8.6156 -8.6155 -7.2025 -7.2024 -7.1963 -7.1963 -5.7021 -5.7021 -5.6978 -5.6978 -4.9110 -4.9109 -4.9046 -4.9046 -3.8615 -3.8615 -3.8581 -3.8581 -3.5846 -3.5845 -3.5803 -3.5802 -2.7713 -2.7713 -2.7664 -2.7664 -2.4360 -2.4360 -2.4268 -2.4268 -2.0678 -2.0678 -2.0618 -2.0618 -1.6626 -1.6626 -1.6573 -1.6573 -1.1652 -1.1652 -1.1629 -1.1628 -0.9974 -0.9974 -0.9910 -0.9910 -0.5251 -0.5251 -0.5161 -0.5161 -0.4208 -0.4208 -0.4132 -0.4132 -0.3626 -0.3626 -0.3527 -0.3527 7.4521 7.4521 7.4548 7.4548 8.1166 8.1201 k =-0.1815 0.1290 0.6134 ( 7736 PWs) bands (ev): -20.7098 -20.7098 -20.7098 -20.7098 -18.7928 -18.7928 -18.7893 -18.7893 -18.3415 -18.3415 -18.3370 -18.3370 -17.9794 -17.9793 -17.9753 -17.9752 -12.3194 -12.3194 -12.3193 -12.3193 -8.6215 -8.6215 -8.6205 -8.6204 -7.1900 -7.1900 -7.1839 -7.1839 -5.7058 -5.7057 -5.7012 -5.7011 -4.9094 -4.9093 -4.9030 -4.9030 -3.8642 -3.8642 -3.8607 -3.8607 -3.5936 -3.5935 -3.5891 -3.5891 -2.7848 -2.7848 -2.7800 -2.7800 -2.4210 -2.4210 -2.4116 -2.4116 -2.0695 -2.0695 -2.0630 -2.0630 -1.6511 -1.6511 -1.6454 -1.6454 -1.1715 -1.1715 -1.1689 -1.1688 -0.9978 -0.9978 -0.9916 -0.9916 -0.5243 -0.5243 -0.5151 -0.5151 -0.4209 -0.4209 -0.4129 -0.4129 -0.3637 -0.3637 -0.3540 -0.3540 7.4518 7.4518 7.4548 7.4548 8.0811 8.0814 k =-0.1980 0.1407 0.6134 ( 7718 PWs) bands (ev): -20.7094 -20.7094 -20.7094 -20.7093 -18.7936 -18.7935 -18.7901 -18.7901 -18.3447 -18.3447 -18.3400 -18.3400 -17.9758 -17.9758 -17.9718 -17.9717 -12.3194 -12.3194 -12.3194 -12.3194 -8.6266 -8.6266 -8.6256 -8.6255 -7.1769 -7.1769 -7.1709 -7.1709 -5.7097 -5.7097 -5.7049 -5.7049 -4.9076 -4.9076 -4.9014 -4.9014 -3.8669 -3.8669 -3.8632 -3.8632 -3.6031 -3.6031 -3.5985 -3.5985 -2.7977 -2.7977 -2.7932 -2.7932 -2.4065 -2.4065 -2.3969 -2.3969 -2.0709 -2.0709 -2.0640 -2.0640 -1.6391 -1.6391 -1.6331 -1.6331 -1.1781 -1.1781 -1.1753 -1.1753 -0.9982 -0.9982 -0.9922 -0.9922 -0.5234 -0.5234 -0.5141 -0.5141 -0.4212 -0.4212 -0.4128 -0.4128 -0.3647 -0.3647 -0.3552 -0.3552 7.4515 7.4515 7.4547 7.4547 8.0469 8.0471 k =-0.2145 0.1525 0.6134 ( 7728 PWs) bands (ev): -20.7090 -20.7090 -20.7089 -20.7089 -18.7944 -18.7943 -18.7909 -18.7909 -18.3479 -18.3479 -18.3432 -18.3432 -17.9722 -17.9721 -17.9682 -17.9682 -12.3195 -12.3195 -12.3195 -12.3195 -8.6318 -8.6318 -8.6308 -8.6307 -7.1633 -7.1633 -7.1574 -7.1573 -5.7140 -5.7140 -5.7090 -5.7090 -4.9058 -4.9058 -4.8996 -4.8996 -3.8695 -3.8695 -3.8656 -3.8656 -3.6132 -3.6132 -3.6084 -3.6084 -2.8101 -2.8101 -2.8057 -2.8057 -2.3926 -2.3926 -2.3829 -2.3829 -2.0721 -2.0721 -2.0647 -2.0647 -1.6267 -1.6267 -1.6204 -1.6204 -1.1852 -1.1852 -1.1821 -1.1821 -0.9985 -0.9985 -0.9928 -0.9928 -0.5225 -0.5225 -0.5131 -0.5131 -0.4218 -0.4218 -0.4131 -0.4131 -0.3655 -0.3654 -0.3563 -0.3562 7.4512 7.4512 7.4546 7.4546 8.0134 8.0134 k =-0.2310 0.1642 0.6134 ( 7714 PWs) bands (ev): -20.7086 -20.7085 -20.7085 -20.7085 -18.7951 -18.7951 -18.7917 -18.7917 -18.3511 -18.3511 -18.3463 -18.3463 -17.9685 -17.9684 -17.9647 -17.9646 -12.3195 -12.3195 -12.3195 -12.3195 -8.6371 -8.6371 -8.6360 -8.6360 -7.1492 -7.1492 -7.1434 -7.1434 -5.7186 -5.7185 -5.7134 -5.7134 -4.9038 -4.9038 -4.8978 -4.8978 -3.8719 -3.8719 -3.8678 -3.8678 -3.6237 -3.6237 -3.6188 -3.6187 -2.8218 -2.8218 -2.8176 -2.8176 -2.3793 -2.3793 -2.3696 -2.3696 -2.0730 -2.0730 -2.0653 -2.0653 -1.6140 -1.6139 -1.6073 -1.6073 -1.1926 -1.1926 -1.1893 -1.1893 -0.9989 -0.9989 -0.9935 -0.9935 -0.5215 -0.5214 -0.5120 -0.5120 -0.4226 -0.4226 -0.4138 -0.4138 -0.3659 -0.3659 -0.3571 -0.3571 7.4510 7.4510 7.4546 7.4546 7.9809 7.9811 k =-0.2475 0.1759 0.6134 ( 7718 PWs) bands (ev): -20.7081 -20.7081 -20.7080 -20.7080 -18.7959 -18.7958 -18.7926 -18.7925 -18.3542 -18.3542 -18.3495 -18.3495 -17.9648 -17.9648 -17.9611 -17.9611 -12.3196 -12.3196 -12.3196 -12.3196 -8.6424 -8.6423 -8.6413 -8.6413 -7.1349 -7.1349 -7.1293 -7.1292 -5.7234 -5.7234 -5.7182 -5.7182 -4.9018 -4.9017 -4.8959 -4.8959 -3.8740 -3.8740 -3.8698 -3.8698 -3.6345 -3.6345 -3.6294 -3.6294 -2.8329 -2.8329 -2.8290 -2.8290 -2.3666 -2.3666 -2.3569 -2.3569 -2.0737 -2.0737 -2.0659 -2.0658 -1.6009 -1.6009 -1.5940 -1.5940 -1.2004 -1.2004 -1.1968 -1.1968 -0.9993 -0.9993 -0.9941 -0.9941 -0.5204 -0.5204 -0.5109 -0.5109 -0.4238 -0.4238 -0.4149 -0.4149 -0.3661 -0.3661 -0.3578 -0.3578 7.4509 7.4509 7.4547 7.4547 7.9494 7.9497 k =-0.2640 0.1876 0.6134 ( 7714 PWs) bands (ev): -20.7077 -20.7076 -20.7076 -20.7076 -18.7967 -18.7966 -18.7935 -18.7934 -18.3573 -18.3573 -18.3527 -18.3527 -17.9612 -17.9611 -17.9576 -17.9576 -12.3197 -12.3197 -12.3196 -12.3196 -8.6476 -8.6475 -8.6465 -8.6465 -7.1205 -7.1204 -7.1150 -7.1149 -5.7284 -5.7284 -5.7232 -5.7232 -4.8996 -4.8996 -4.8940 -4.8940 -3.8759 -3.8759 -3.8715 -3.8715 -3.6456 -3.6456 -3.6404 -3.6403 -2.8434 -2.8434 -2.8397 -2.8397 -2.3546 -2.3546 -2.3449 -2.3449 -2.0743 -2.0743 -2.0663 -2.0663 -1.5875 -1.5875 -1.5804 -1.5804 -1.2084 -1.2084 -1.2047 -1.2046 -0.9997 -0.9997 -0.9947 -0.9947 -0.5192 -0.5192 -0.5098 -0.5098 -0.4253 -0.4252 -0.4163 -0.4163 -0.3660 -0.3660 -0.3583 -0.3583 7.4509 7.4509 7.4549 7.4549 7.9192 7.9195 k =-0.2806 0.1994 0.6134 ( 7714 PWs) bands (ev): -20.7072 -20.7072 -20.7072 -20.7071 -18.7974 -18.7973 -18.7943 -18.7943 -18.3603 -18.3603 -18.3558 -18.3558 -17.9576 -17.9575 -17.9542 -17.9542 -12.3197 -12.3197 -12.3197 -12.3197 -8.6527 -8.6526 -8.6516 -8.6516 -7.1060 -7.1060 -7.1007 -7.1007 -5.7336 -5.7336 -5.7284 -5.7284 -4.8975 -4.8974 -4.8920 -4.8920 -3.8774 -3.8774 -3.8729 -3.8729 -3.6568 -3.6568 -3.6515 -3.6514 -2.8532 -2.8532 -2.8497 -2.8497 -2.3432 -2.3432 -2.3336 -2.3336 -2.0748 -2.0748 -2.0667 -2.0667 -1.5738 -1.5738 -1.5665 -1.5665 -1.2169 -1.2168 -1.2128 -1.2128 -1.0001 -1.0001 -0.9954 -0.9954 -0.5180 -0.5180 -0.5087 -0.5087 -0.4270 -0.4270 -0.4182 -0.4182 -0.3657 -0.3657 -0.3585 -0.3585 7.4511 7.4511 7.4552 7.4552 7.8901 7.8907 k =-0.2971 0.2111 0.6134 ( 7706 PWs) bands (ev): -20.7068 -20.7068 -20.7067 -20.7067 -18.7981 -18.7981 -18.7951 -18.7951 -18.3632 -18.3632 -18.3588 -18.3588 -17.9541 -17.9541 -17.9510 -17.9509 -12.3198 -12.3198 -12.3197 -12.3197 -8.6576 -8.6576 -8.6566 -8.6566 -7.0918 -7.0917 -7.0867 -7.0866 -5.7389 -5.7389 -5.7338 -5.7338 -4.8953 -4.8952 -4.8901 -4.8901 -3.8785 -3.8785 -3.8739 -3.8739 -3.6681 -3.6681 -3.6626 -3.6626 -2.8624 -2.8624 -2.8591 -2.8591 -2.3324 -2.3324 -2.3231 -2.3231 -2.0753 -2.0753 -2.0672 -2.0672 -1.5599 -1.5599 -1.5525 -1.5524 -1.2256 -1.2256 -1.2213 -1.2213 -1.0005 -1.0005 -0.9961 -0.9961 -0.5167 -0.5167 -0.5075 -0.5075 -0.4290 -0.4290 -0.4204 -0.4204 -0.3651 -0.3651 -0.3585 -0.3585 7.4515 7.4515 7.4557 7.4557 7.8625 7.8627 k =-0.3136 0.2228 0.6134 ( 7706 PWs) bands (ev): -20.7064 -20.7063 -20.7063 -20.7063 -18.7988 -18.7987 -18.7960 -18.7959 -18.3659 -18.3659 -18.3618 -18.3618 -17.9508 -17.9508 -17.9479 -17.9478 -12.3198 -12.3198 -12.3198 -12.3198 -8.6623 -8.6623 -8.6614 -8.6613 -7.0778 -7.0778 -7.0730 -7.0729 -5.7442 -5.7442 -5.7393 -5.7393 -4.8931 -4.8930 -4.8882 -4.8882 -3.8792 -3.8792 -3.8745 -3.8745 -3.6793 -3.6792 -3.6737 -3.6737 -2.8708 -2.8708 -2.8678 -2.8678 -2.3223 -2.3223 -2.3133 -2.3133 -2.0757 -2.0757 -2.0678 -2.0678 -1.5459 -1.5458 -1.5382 -1.5382 -1.2346 -1.2346 -1.2301 -1.2301 -1.0009 -1.0009 -0.9968 -0.9968 -0.5154 -0.5154 -0.5063 -0.5063 -0.4313 -0.4313 -0.4228 -0.4228 -0.3643 -0.3643 -0.3584 -0.3584 7.4521 7.4521 7.4564 7.4564 7.8363 7.8367 k =-0.3301 0.2345 0.6134 ( 7696 PWs) bands (ev): -20.7060 -20.7059 -20.7059 -20.7059 -18.7994 -18.7993 -18.7968 -18.7967 -18.3685 -18.3685 -18.3645 -18.3645 -17.9476 -17.9476 -17.9449 -17.9449 -12.3199 -12.3199 -12.3199 -12.3199 -8.6668 -8.6668 -8.6659 -8.6659 -7.0643 -7.0643 -7.0597 -7.0597 -5.7495 -5.7495 -5.7447 -5.7447 -4.8909 -4.8909 -4.8863 -4.8863 -3.8794 -3.8794 -3.8747 -3.8747 -3.6903 -3.6903 -3.6847 -3.6847 -2.8786 -2.8786 -2.8758 -2.8758 -2.3129 -2.3129 -2.3042 -2.3042 -2.0761 -2.0761 -2.0684 -2.0684 -1.5316 -1.5316 -1.5239 -1.5239 -1.2439 -1.2439 -1.2392 -1.2392 -1.0013 -1.0013 -0.9975 -0.9975 -0.5139 -0.5139 -0.5051 -0.5051 -0.4337 -0.4337 -0.4255 -0.4255 -0.3634 -0.3634 -0.3581 -0.3581 7.4529 7.4529 7.4573 7.4573 7.8116 7.8125 k =-0.3466 0.2463 0.6134 ( 7696 PWs) bands (ev): -20.7056 -20.7056 -20.7055 -20.7055 -18.8000 -18.7999 -18.7975 -18.7975 -18.3708 -18.3708 -18.3672 -18.3672 -17.9447 -17.9446 -17.9422 -17.9422 -12.3199 -12.3199 -12.3199 -12.3199 -8.6710 -8.6709 -8.6701 -8.6701 -7.0514 -7.0514 -7.0472 -7.0471 -5.7546 -5.7546 -5.7502 -5.7502 -4.8888 -4.8888 -4.8846 -4.8846 -3.8793 -3.8793 -3.8745 -3.8745 -3.7010 -3.7010 -3.6955 -3.6955 -2.8857 -2.8857 -2.8832 -2.8832 -2.3041 -2.3041 -2.2959 -2.2959 -2.0766 -2.0766 -2.0692 -2.0692 -1.5173 -1.5172 -1.5095 -1.5095 -1.2535 -1.2535 -1.2486 -1.2486 -1.0018 -1.0018 -0.9983 -0.9983 -0.5125 -0.5124 -0.5039 -0.5039 -0.4362 -0.4362 -0.4283 -0.4283 -0.3624 -0.3624 -0.3577 -0.3577 7.4541 7.4541 7.4585 7.4585 7.7886 7.7889 k =-0.3631 0.2580 0.6134 ( 7690 PWs) bands (ev): -20.7052 -20.7052 -20.7052 -20.7052 -18.8005 -18.8004 -18.7982 -18.7982 -18.3730 -18.3730 -18.3696 -18.3696 -17.9419 -17.9419 -17.9397 -17.9397 -12.3200 -12.3200 -12.3200 -12.3200 -8.6748 -8.6748 -8.6740 -8.6740 -7.0393 -7.0393 -7.0354 -7.0354 -5.7596 -5.7596 -5.7554 -5.7554 -4.8868 -4.8868 -4.8830 -4.8830 -3.8787 -3.8787 -3.8739 -3.8739 -3.7113 -3.7113 -3.7059 -3.7059 -2.8921 -2.8920 -2.8898 -2.8898 -2.2960 -2.2960 -2.2884 -2.2884 -2.0771 -2.0771 -2.0701 -2.0701 -1.5029 -1.5029 -1.4951 -1.4951 -1.2633 -1.2633 -1.2582 -1.2582 -1.0022 -1.0022 -0.9990 -0.9990 -0.5109 -0.5109 -0.5028 -0.5028 -0.4387 -0.4387 -0.4311 -0.4311 -0.3613 -0.3613 -0.3572 -0.3572 7.4555 7.4555 7.4598 7.4598 7.7673 7.7673 k =-0.3796 0.2697 0.6134 ( 7684 PWs) bands (ev): -20.7049 -20.7049 -20.7048 -20.7048 -18.8009 -18.8009 -18.7989 -18.7989 -18.3749 -18.3749 -18.3719 -18.3719 -17.9394 -17.9394 -17.9374 -17.9374 -12.3200 -12.3200 -12.3200 -12.3200 -8.6783 -8.6783 -8.6776 -8.6776 -7.0281 -7.0281 -7.0246 -7.0246 -5.7642 -5.7642 -5.7604 -5.7604 -4.8849 -4.8849 -4.8815 -4.8815 -3.8777 -3.8777 -3.8731 -3.8731 -3.7211 -3.7210 -3.7158 -3.7158 -2.8977 -2.8977 -2.8957 -2.8957 -2.2887 -2.2887 -2.2817 -2.2817 -2.0776 -2.0776 -2.0712 -2.0712 -1.4886 -1.4885 -1.4808 -1.4808 -1.2734 -1.2734 -1.2681 -1.2681 -1.0026 -1.0026 -0.9998 -0.9998 -0.5093 -0.5093 -0.5016 -0.5016 -0.4411 -0.4411 -0.4340 -0.4340 -0.3603 -0.3603 -0.3567 -0.3567 7.4572 7.4572 7.4614 7.4614 7.7479 7.7479 k =-0.3961 0.2815 0.6134 ( 7692 PWs) bands (ev): -20.7046 -20.7046 -20.7046 -20.7045 -18.8013 -18.8013 -18.7995 -18.7995 -18.3766 -18.3766 -18.3739 -18.3739 -17.9372 -17.9372 -17.9355 -17.9354 -12.3200 -12.3200 -12.3200 -12.3200 -8.6814 -8.6814 -8.6808 -8.6808 -7.0180 -7.0179 -7.0149 -7.0149 -5.7684 -5.7684 -5.7651 -5.7651 -4.8832 -4.8831 -4.8802 -4.8801 -3.8763 -3.8763 -3.8719 -3.8719 -3.7301 -3.7301 -3.7251 -3.7251 -2.9026 -2.9026 -2.9009 -2.9009 -2.2821 -2.2821 -2.2758 -2.2758 -2.0781 -2.0781 -2.0723 -2.0723 -1.4744 -1.4744 -1.4668 -1.4668 -1.2836 -1.2836 -1.2782 -1.2782 -1.0030 -1.0030 -1.0005 -1.0005 -0.5077 -0.5077 -0.5006 -0.5006 -0.4434 -0.4434 -0.4369 -0.4369 -0.3593 -0.3593 -0.3562 -0.3562 7.4591 7.4591 7.4630 7.4630 7.7305 7.7308 k =-0.4126 0.2932 0.6134 ( 7696 PWs) bands (ev): -20.7043 -20.7043 -20.7043 -20.7043 -18.8016 -18.8016 -18.8001 -18.8001 -18.3780 -18.3780 -18.3757 -18.3757 -17.9352 -17.9352 -17.9338 -17.9337 -12.3201 -12.3201 -12.3201 -12.3201 -8.6840 -8.6840 -8.6835 -8.6835 -7.0090 -7.0090 -7.0064 -7.0063 -5.7722 -5.7722 -5.7693 -5.7693 -4.8816 -4.8816 -4.8790 -4.8790 -3.8747 -3.8747 -3.8706 -3.8706 -3.7383 -3.7383 -3.7337 -3.7337 -2.9068 -2.9068 -2.9053 -2.9053 -2.2763 -2.2763 -2.2708 -2.2708 -2.0785 -2.0785 -2.0734 -2.0734 -1.4605 -1.4605 -1.4532 -1.4532 -1.2939 -1.2939 -1.2884 -1.2884 -1.0033 -1.0033 -1.0012 -1.0012 -0.5060 -0.5060 -0.4997 -0.4997 -0.4455 -0.4455 -0.4396 -0.4396 -0.3583 -0.3583 -0.3558 -0.3558 7.4611 7.4611 7.4647 7.4647 7.7152 7.7152 k =-0.4291 0.3049 0.6134 ( 7678 PWs) bands (ev): -20.7041 -20.7041 -20.7041 -20.7041 -18.8018 -18.8018 -18.8006 -18.8006 -18.3791 -18.3791 -18.3772 -18.3772 -17.9335 -17.9335 -17.9324 -17.9323 -12.3201 -12.3201 -12.3201 -12.3201 -8.6863 -8.6863 -8.6858 -8.6858 -7.0014 -7.0013 -6.9992 -6.9992 -5.7754 -5.7754 -5.7730 -5.7730 -4.8802 -4.8802 -4.8781 -4.8781 -3.8729 -3.8729 -3.8692 -3.8692 -3.7454 -3.7454 -3.7413 -3.7413 -2.9102 -2.9102 -2.9091 -2.9091 -2.2713 -2.2713 -2.2667 -2.2667 -2.0788 -2.0788 -2.0746 -2.0746 -1.4472 -1.4472 -1.4403 -1.4403 -1.3040 -1.3040 -1.2986 -1.2986 -1.0036 -1.0036 -1.0018 -1.0018 -0.5044 -0.5044 -0.4989 -0.4989 -0.4473 -0.4473 -0.4422 -0.4422 -0.3575 -0.3575 -0.3554 -0.3554 7.4632 7.4632 7.4664 7.4664 7.7023 7.7023 k =-0.4456 0.3166 0.6134 ( 7684 PWs) bands (ev): -20.7039 -20.7039 -20.7039 -20.7039 -18.8020 -18.8020 -18.8010 -18.8010 -18.3800 -18.3800 -18.3785 -18.3785 -17.9322 -17.9322 -17.9313 -17.9312 -12.3201 -12.3201 -12.3201 -12.3201 -8.6880 -8.6880 -8.6877 -8.6877 -6.9951 -6.9951 -6.9934 -6.9934 -5.7779 -5.7779 -5.7761 -5.7761 -4.8790 -4.8790 -4.8774 -4.8774 -3.8710 -3.8710 -3.8680 -3.8680 -3.7512 -3.7512 -3.7479 -3.7479 -2.9130 -2.9130 -2.9120 -2.9120 -2.2671 -2.2671 -2.2636 -2.2636 -2.0790 -2.0790 -2.0757 -2.0757 -1.4347 -1.4347 -1.4285 -1.4285 -1.3136 -1.3136 -1.3085 -1.3085 -1.0038 -1.0038 -1.0024 -1.0024 -0.5029 -0.5029 -0.4984 -0.4984 -0.4486 -0.4486 -0.4445 -0.4445 -0.3567 -0.3567 -0.3552 -0.3552 7.4652 7.4652 7.4678 7.4678 7.6919 7.6921 k =-0.4621 0.3284 0.6134 ( 7696 PWs) bands (ev): -20.7038 -20.7038 -20.7038 -20.7038 -18.8021 -18.8021 -18.8014 -18.8014 -18.3806 -18.3806 -18.3795 -18.3795 -17.9311 -17.9311 -17.9305 -17.9305 -12.3201 -12.3201 -12.3201 -12.3201 -8.6894 -8.6893 -8.6891 -8.6891 -6.9904 -6.9904 -6.9892 -6.9892 -5.7798 -5.7798 -5.7785 -5.7785 -4.8781 -4.8781 -4.8769 -4.8769 -3.8693 -3.8693 -3.8670 -3.8670 -3.7556 -3.7556 -3.7531 -3.7531 -2.9149 -2.9149 -2.9143 -2.9143 -2.2639 -2.2639 -2.2614 -2.2614 -2.0791 -2.0791 -2.0767 -2.0767 -1.4236 -1.4236 -1.4185 -1.4185 -1.3219 -1.3219 -1.3176 -1.3176 -1.0039 -1.0039 -1.0029 -1.0029 -0.5015 -0.5015 -0.4983 -0.4983 -0.4495 -0.4495 -0.4465 -0.4465 -0.3561 -0.3561 -0.3550 -0.3550 7.4670 7.4670 7.4689 7.4689 7.6842 7.6842 k =-0.4786 0.3401 0.6134 ( 7708 PWs) bands (ev): -20.7037 -20.7037 -20.7037 -20.7037 -18.8021 -18.8021 -18.8017 -18.8017 -18.3809 -18.3809 -18.3803 -18.3803 -17.9304 -17.9304 -17.9300 -17.9300 -12.3202 -12.3202 -12.3202 -12.3202 -8.6902 -8.6902 -8.6901 -8.6900 -6.9872 -6.9872 -6.9865 -6.9865 -5.7809 -5.7809 -5.7802 -5.7802 -4.8774 -4.8774 -4.8767 -4.8767 -3.8679 -3.8679 -3.8665 -3.8665 -3.7583 -3.7583 -3.7568 -3.7568 -2.9161 -2.9161 -2.9158 -2.9158 -2.2616 -2.2616 -2.2601 -2.2601 -2.0789 -2.0789 -2.0776 -2.0776 -1.4148 -1.4148 -1.4114 -1.4114 -1.3280 -1.3280 -1.3251 -1.3251 -1.0038 -1.0038 -1.0033 -1.0033 -0.5003 -0.5003 -0.4984 -0.4984 -0.4498 -0.4498 -0.4481 -0.4481 -0.3556 -0.3556 -0.3550 -0.3550 7.4684 7.4684 7.4695 7.4695 7.6794 7.6795 k =-0.4951 0.3518 0.6134 ( 7712 PWs) bands (ev): -20.7037 -20.7037 -20.7037 -20.7037 -18.8020 -18.8020 -18.8019 -18.8019 -18.3809 -18.3809 -18.3807 -18.3807 -17.9300 -17.9300 -17.9299 -17.9299 -12.3202 -12.3202 -12.3202 -12.3202 -8.6905 -8.6905 -8.6905 -8.6905 -6.9856 -6.9856 -6.9855 -6.9855 -5.7813 -5.7813 -5.7811 -5.7811 -4.8769 -4.8769 -4.8768 -4.8768 -3.8669 -3.8669 -3.8666 -3.8666 -3.7592 -3.7592 -3.7588 -3.7588 -2.9166 -2.9166 -2.9165 -2.9165 -2.2602 -2.2602 -2.2599 -2.2599 -2.0786 -2.0786 -2.0783 -2.0783 -1.4095 -1.4095 -1.4087 -1.4087 -1.3304 -1.3304 -1.3296 -1.3296 -1.0037 -1.0037 -1.0036 -1.0036 -0.4993 -0.4993 -0.4989 -0.4989 -0.4496 -0.4496 -0.4492 -0.4492 -0.3553 -0.3553 -0.3551 -0.3551 7.4693 7.4693 7.4695 7.4695 7.6775 7.6775 k =-0.4951 0.3518 0.6134 ( 7712 PWs) bands (ev): -20.7037 -20.7037 -20.7037 -20.7037 -18.8020 -18.8020 -18.8019 -18.8019 -18.3809 -18.3809 -18.3807 -18.3807 -17.9300 -17.9300 -17.9299 -17.9299 -12.3202 -12.3202 -12.3202 -12.3202 -8.6905 -8.6905 -8.6905 -8.6905 -6.9856 -6.9856 -6.9855 -6.9855 -5.7813 -5.7813 -5.7811 -5.7811 -4.8769 -4.8769 -4.8768 -4.8768 -3.8669 -3.8669 -3.8666 -3.8666 -3.7592 -3.7592 -3.7588 -3.7588 -2.9166 -2.9166 -2.9165 -2.9165 -2.2602 -2.2602 -2.2599 -2.2599 -2.0786 -2.0786 -2.0783 -2.0783 -1.4095 -1.4095 -1.4087 -1.4087 -1.3304 -1.3304 -1.3296 -1.3296 -1.0037 -1.0037 -1.0036 -1.0036 -0.4993 -0.4993 -0.4989 -0.4989 -0.4496 -0.4496 -0.4492 -0.4492 -0.3553 -0.3553 -0.3551 -0.3551 7.4693 7.4693 7.4695 7.4695 7.6775 7.6776 k =-0.4975 0.3536 0.6104 ( 7712 PWs) bands (ev): -20.7037 -20.7037 -20.7037 -20.7037 -18.8020 -18.8020 -18.8019 -18.8019 -18.3809 -18.3808 -18.3808 -18.3807 -17.9300 -17.9299 -17.9299 -17.9299 -12.3202 -12.3202 -12.3202 -12.3202 -8.6906 -8.6905 -8.6905 -8.6905 -6.9856 -6.9855 -6.9855 -6.9855 -5.7813 -5.7812 -5.7812 -5.7811 -4.8769 -4.8769 -4.8769 -4.8768 -3.8669 -3.8668 -3.8666 -3.8666 -3.7592 -3.7591 -3.7589 -3.7589 -2.9166 -2.9166 -2.9166 -2.9165 -2.2602 -2.2602 -2.2599 -2.2599 -2.0786 -2.0785 -2.0783 -2.0783 -1.4095 -1.4090 -1.4089 -1.4086 -1.3304 -1.3302 -1.3301 -1.3296 -1.0037 -1.0037 -1.0036 -1.0036 -0.4993 -0.4991 -0.4991 -0.4989 -0.4496 -0.4495 -0.4494 -0.4492 -0.3553 -0.3552 -0.3552 -0.3551 7.4693 7.4693 7.4695 7.4696 7.6775 7.6776 k =-0.4975 0.3536 0.6104 ( 7712 PWs) bands (ev): -20.7037 -20.7037 -20.7037 -20.7037 -18.8020 -18.8020 -18.8019 -18.8019 -18.3809 -18.3808 -18.3808 -18.3807 -17.9300 -17.9299 -17.9299 -17.9299 -12.3202 -12.3202 -12.3202 -12.3202 -8.6906 -8.6905 -8.6905 -8.6905 -6.9856 -6.9855 -6.9855 -6.9855 -5.7813 -5.7812 -5.7812 -5.7811 -4.8769 -4.8769 -4.8769 -4.8768 -3.8669 -3.8668 -3.8666 -3.8666 -3.7592 -3.7591 -3.7589 -3.7589 -2.9166 -2.9166 -2.9166 -2.9165 -2.2602 -2.2602 -2.2599 -2.2599 -2.0786 -2.0785 -2.0783 -2.0783 -1.4095 -1.4090 -1.4089 -1.4086 -1.3304 -1.3302 -1.3301 -1.3296 -1.0037 -1.0037 -1.0036 -1.0036 -0.4993 -0.4991 -0.4991 -0.4989 -0.4496 -0.4495 -0.4494 -0.4492 -0.3553 -0.3552 -0.3552 -0.3551 7.4693 7.4693 7.4695 7.4696 7.6774 7.6775 k =-0.4857 0.3451 0.5958 ( 7712 PWs) bands (ev): -20.7043 -20.7043 -20.7031 -20.7031 -18.8021 -18.8020 -18.8019 -18.8016 -18.3815 -18.3812 -18.3801 -18.3796 -17.9306 -17.9302 -17.9300 -17.9300 -12.3202 -12.3202 -12.3201 -12.3201 -8.6916 -8.6915 -8.6889 -8.6887 -6.9883 -6.9874 -6.9856 -6.9855 -5.7829 -5.7823 -5.7789 -5.7783 -4.8779 -4.8776 -4.8766 -4.8760 -3.8690 -3.8689 -3.8654 -3.8652 -3.7585 -3.7584 -3.7572 -3.7568 -2.9165 -2.9165 -2.9158 -2.9153 -2.2617 -2.2615 -2.2600 -2.2599 -2.0792 -2.0788 -2.0777 -2.0774 -1.4178 -1.4142 -1.4092 -1.4090 -1.3302 -1.3298 -1.3259 -1.3223 -1.0040 -1.0038 -1.0035 -1.0032 -0.5006 -0.4993 -0.4992 -0.4981 -0.4498 -0.4496 -0.4491 -0.4475 -0.3559 -0.3554 -0.3551 -0.3549 7.4656 7.4662 7.4718 7.4724 7.6789 7.6793 k =-0.4739 0.3367 0.5813 ( 7692 PWs) bands (ev): -20.7058 -20.7058 -20.7018 -20.7018 -18.8020 -18.8020 -18.8019 -18.8011 -18.3830 -18.3823 -18.3780 -18.3771 -17.9319 -17.9311 -17.9300 -17.9300 -12.3203 -12.3203 -12.3199 -12.3199 -8.6939 -8.6937 -8.6849 -8.6846 -6.9942 -6.9926 -6.9857 -6.9857 -5.7865 -5.7854 -5.7732 -5.7720 -4.8801 -4.8796 -4.8757 -4.8745 -3.8738 -3.8737 -3.8625 -3.8621 -3.7560 -3.7560 -3.7537 -3.7529 -2.9163 -2.9163 -2.9136 -2.9127 -2.2647 -2.2643 -2.2605 -2.2605 -2.0802 -2.0790 -2.0766 -2.0758 -1.4321 -1.4270 -1.4099 -1.4096 -1.3298 -1.3291 -1.3152 -1.3101 -1.0044 -1.0038 -1.0031 -1.0024 -0.5022 -0.4998 -0.4995 -0.4978 -0.4498 -0.4494 -0.4483 -0.4449 -0.3570 -0.3560 -0.3549 -0.3543 7.4572 7.4583 7.4777 7.4789 7.6832 7.6839 k =-0.4620 0.3283 0.5668 ( 7684 PWs) bands (ev): -20.7082 -20.7082 -20.6997 -20.6997 -18.8020 -18.8019 -18.8017 -18.8005 -18.3851 -18.3841 -18.3746 -18.3734 -17.9338 -17.9326 -17.9301 -17.9301 -12.3206 -12.3206 -12.3197 -12.3197 -8.6976 -8.6974 -8.6786 -8.6782 -7.0032 -7.0009 -6.9859 -6.9859 -5.7920 -5.7904 -5.7641 -5.7623 -4.8835 -4.8827 -4.8741 -4.8724 -3.8807 -3.8807 -3.8579 -3.8574 -3.7521 -3.7519 -3.7488 -3.7476 -2.9159 -2.9159 -2.9099 -2.9087 -2.2692 -2.2686 -2.2615 -2.2614 -2.0814 -2.0796 -2.0749 -2.0737 -1.4496 -1.4439 -1.4111 -1.4107 -1.3292 -1.3281 -1.3017 -1.2960 -1.0049 -1.0039 -1.0024 -1.0012 -0.5041 -0.5005 -0.5001 -0.4979 -0.4499 -0.4490 -0.4463 -0.4414 -0.3586 -0.3571 -0.3544 -0.3536 7.4446 7.4460 7.4872 7.4889 7.6899 7.6908 k =-0.4502 0.3199 0.5522 ( 7668 PWs) bands (ev): -20.7114 -20.7114 -20.6968 -20.6968 -18.8020 -18.8018 -18.8014 -18.7997 -18.3880 -18.3867 -18.3700 -18.3684 -17.9363 -17.9347 -17.9303 -17.9302 -12.3208 -12.3208 -12.3194 -12.3194 -8.7026 -8.7023 -8.6699 -8.6694 -7.0150 -7.0120 -6.9862 -6.9862 -5.7994 -5.7974 -5.7517 -5.7495 -4.8879 -4.8869 -4.8717 -4.8695 -3.8894 -3.8894 -3.8517 -3.8510 -3.7467 -3.7464 -3.7429 -3.7413 -2.9154 -2.9154 -2.9049 -2.9033 -2.2752 -2.2744 -2.2627 -2.2627 -2.0829 -2.0805 -2.0726 -2.0709 -1.4687 -1.4628 -1.4127 -1.4121 -1.3283 -1.3269 -1.2872 -1.2814 -1.0054 -1.0042 -1.0014 -0.9999 -0.5060 -0.5015 -0.5008 -0.4984 -0.4500 -0.4486 -0.4431 -0.4373 -0.3607 -0.3587 -0.3537 -0.3526 7.4279 7.4297 7.5001 7.5025 7.6986 7.6996 k =-0.4383 0.3115 0.5377 ( 7692 PWs) bands (ev): -20.7154 -20.7154 -20.6931 -20.6931 -18.8020 -18.8017 -18.8009 -18.7988 -18.3916 -18.3901 -18.3641 -18.3621 -17.9393 -17.9374 -17.9305 -17.9304 -12.3212 -12.3212 -12.3190 -12.3190 -8.7089 -8.7085 -8.6589 -8.6583 -7.0294 -7.0258 -6.9866 -6.9866 -5.8088 -5.8063 -5.7365 -5.7338 -4.8932 -4.8921 -4.8688 -4.8661 -3.8994 -3.8993 -3.8441 -3.8432 -3.7401 -3.7399 -3.7361 -3.7344 -2.9148 -2.9147 -2.8985 -2.8965 -2.2826 -2.2816 -2.2642 -2.2642 -2.0847 -2.0816 -2.0698 -2.0677 -1.4888 -1.4828 -1.4147 -1.4139 -1.3273 -1.3255 -1.2727 -1.2669 -1.0061 -1.0046 -1.0001 -0.9983 -0.5079 -0.5028 -0.5018 -0.4992 -0.4501 -0.4483 -0.4391 -0.4325 -0.3632 -0.3608 -0.3528 -0.3515 7.4076 7.4095 7.5162 7.5193 7.7089 7.7098 k =-0.4265 0.3030 0.5232 ( 7698 PWs) bands (ev): -20.7202 -20.7201 -20.6887 -20.6887 -18.8019 -18.8016 -18.8002 -18.7978 -18.3960 -18.3942 -18.3569 -18.3547 -17.9429 -17.9407 -17.9307 -17.9306 -12.3216 -12.3216 -12.3185 -12.3185 -8.7165 -8.7161 -8.6456 -8.6449 -7.0460 -7.0419 -6.9871 -6.9871 -5.8200 -5.8171 -5.7185 -5.7155 -4.8994 -4.8981 -4.8652 -4.8620 -3.9103 -3.9101 -3.8351 -3.8340 -3.7327 -3.7324 -3.7285 -3.7269 -2.9139 -2.9138 -2.8908 -2.8885 -2.2914 -2.2902 -2.2659 -2.2659 -2.0868 -2.0831 -2.0665 -2.0640 -1.5095 -1.5035 -1.4171 -1.4161 -1.3260 -1.3240 -1.2585 -1.2528 -1.0068 -1.0051 -0.9987 -0.9966 -0.5098 -0.5044 -0.5031 -0.5001 -0.4501 -0.4480 -0.4343 -0.4272 -0.3662 -0.3632 -0.3516 -0.3501 7.3837 7.3857 7.5354 7.5391 7.7208 7.7214 k =-0.4146 0.2946 0.5086 ( 7694 PWs) bands (ev): -20.7257 -20.7257 -20.6836 -20.6836 -18.8019 -18.8015 -18.7994 -18.7967 -18.4011 -18.3991 -18.3487 -18.3461 -17.9469 -17.9444 -17.9310 -17.9309 -12.3222 -12.3221 -12.3180 -12.3180 -8.7253 -8.7248 -8.6300 -8.6292 -7.0646 -7.0600 -6.9877 -6.9876 -5.8332 -5.8299 -5.6982 -5.6948 -4.9063 -4.9049 -4.8611 -4.8574 -3.9219 -3.9216 -3.8250 -3.8237 -3.7253 -3.7240 -3.7197 -3.7189 -2.9128 -2.9127 -2.8818 -2.8792 -2.3015 -2.3000 -2.2677 -2.2677 -2.0891 -2.0849 -2.0629 -2.0601 -1.5303 -1.5246 -1.4198 -1.4186 -1.3246 -1.3224 -1.2447 -1.2393 -1.0076 -1.0056 -0.9971 -0.9948 -0.5116 -0.5060 -0.5045 -0.5013 -0.4502 -0.4476 -0.4289 -0.4215 -0.3695 -0.3661 -0.3502 -0.3484 7.3564 7.3584 7.5572 7.5617 7.7342 7.7345 k =-0.4028 0.2862 0.4941 ( 7700 PWs) bands (ev): -20.7319 -20.7319 -20.6777 -20.6777 -18.8018 -18.8013 -18.7984 -18.7954 -18.4071 -18.4047 -18.3393 -18.3365 -17.9514 -17.9486 -17.9312 -17.9311 -12.3227 -12.3227 -12.3174 -12.3173 -8.7353 -8.7348 -8.6122 -8.6112 -7.0848 -7.0798 -6.9883 -6.9882 -5.8482 -5.8446 -5.6758 -5.6722 -4.9137 -4.9122 -4.8564 -4.8524 -3.9339 -3.9336 -3.8141 -3.8125 -3.7181 -3.7156 -3.7100 -3.7099 -2.9115 -2.9113 -2.8716 -2.8686 -2.3127 -2.3110 -2.2695 -2.2694 -2.0916 -2.0869 -2.0591 -2.0560 -1.5513 -1.5457 -1.4229 -1.4214 -1.3232 -1.3208 -1.2316 -1.2264 -1.0083 -1.0060 -0.9955 -0.9930 -0.5133 -0.5079 -0.5063 -0.5026 -0.4503 -0.4473 -0.4230 -0.4155 -0.3732 -0.3693 -0.3485 -0.3465 7.3256 7.3276 7.5812 7.5866 7.7492 7.7496 k =-0.3909 0.2778 0.4796 ( 7690 PWs) bands (ev): -20.7388 -20.7388 -20.6712 -20.6711 -18.8017 -18.8012 -18.7973 -18.7941 -18.4137 -18.4112 -18.3289 -18.3259 -17.9563 -17.9532 -17.9315 -17.9314 -12.3234 -12.3234 -12.3167 -12.3167 -8.7464 -8.7459 -8.5921 -8.5911 -7.1063 -7.1010 -6.9890 -6.9890 -5.8651 -5.8611 -5.6517 -5.6478 -4.9214 -4.9198 -4.8513 -4.8468 -3.9462 -3.9458 -3.8024 -3.8006 -3.7110 -3.7076 -3.6998 -3.6991 -2.9098 -2.9097 -2.8603 -2.8569 -2.3250 -2.3230 -2.2712 -2.2711 -2.0944 -2.0892 -2.0551 -2.0517 -1.5721 -1.5668 -1.4263 -1.4245 -1.3218 -1.3192 -1.2191 -1.2142 -1.0089 -1.0065 -0.9939 -0.9913 -0.5148 -0.5098 -0.5082 -0.5040 -0.4503 -0.4469 -0.4167 -0.4092 -0.3772 -0.3729 -0.3465 -0.3444 7.2914 7.2933 7.6065 7.6128 7.7663 7.7673 k =-0.3791 0.2694 0.4650 ( 7712 PWs) bands (ev): -20.7463 -20.7462 -20.6639 -20.6639 -18.8015 -18.8010 -18.7961 -18.7927 -18.4212 -18.4185 -18.3175 -18.3143 -17.9615 -17.9582 -17.9319 -17.9318 -12.3241 -12.3241 -12.3160 -12.3160 -8.7587 -8.7580 -8.5700 -8.5688 -7.1288 -7.1232 -6.9899 -6.9898 -5.8838 -5.8796 -5.6261 -5.6220 -4.9294 -4.9278 -4.8457 -4.8409 -3.9588 -3.9583 -3.7905 -3.7883 -3.7040 -3.6998 -3.6887 -3.6877 -2.9080 -2.9078 -2.8478 -2.8442 -2.3383 -2.3361 -2.2726 -2.2725 -2.0973 -2.0917 -2.0510 -2.0473 -1.5927 -1.5877 -1.4299 -1.4279 -1.3205 -1.3177 -1.2072 -1.2027 -1.0095 -1.0069 -0.9924 -0.9896 -0.5163 -0.5120 -0.5104 -0.5054 -0.4504 -0.4465 -0.4102 -0.4026 -0.3815 -0.3767 -0.3443 -0.3420 7.2535 7.2554 7.6322 7.6395 7.7866 7.7883 k =-0.3672 0.2610 0.4505 ( 7726 PWs) bands (ev): -20.7543 -20.7542 -20.6560 -20.6560 -18.8013 -18.8007 -18.7949 -18.7912 -18.4295 -18.4265 -18.3053 -18.3019 -17.9670 -17.9634 -17.9322 -17.9321 -12.3249 -12.3249 -12.3152 -12.3152 -8.7719 -8.7712 -8.5456 -8.5444 -7.1520 -7.1461 -6.9908 -6.9907 -5.9042 -5.8999 -5.5992 -5.5951 -4.9374 -4.9358 -4.8398 -4.8346 -3.9714 -3.9709 -3.7784 -3.7760 -3.6968 -3.6921 -3.6771 -3.6758 -2.9058 -2.9056 -2.8343 -2.8304 -2.3525 -2.3500 -2.2738 -2.2736 -2.1005 -2.0944 -2.0469 -2.0430 -1.6130 -1.6082 -1.4339 -1.4315 -1.3193 -1.3164 -1.1960 -1.1918 -1.0099 -1.0071 -0.9910 -0.9882 -0.5176 -0.5143 -0.5129 -0.5068 -0.4506 -0.4461 -0.4036 -0.3959 -0.3860 -0.3808 -0.3418 -0.3393 7.2121 7.2139 7.6572 7.6652 7.8113 7.8135 k =-0.3554 0.2525 0.4360 ( 7722 PWs) bands (ev): -20.7628 -20.7627 -20.6475 -20.6474 -18.8011 -18.8004 -18.7935 -18.7896 -18.4385 -18.4354 -18.2922 -18.2887 -17.9727 -17.9689 -17.9326 -17.9325 -12.3258 -12.3258 -12.3144 -12.3144 -8.7860 -8.7854 -8.5192 -8.5179 -7.1756 -7.1696 -6.9917 -6.9916 -5.9265 -5.9219 -5.5714 -5.5672 -4.9454 -4.9437 -4.8335 -4.8280 -3.9841 -3.9835 -3.7666 -3.7639 -3.6895 -3.6844 -3.6650 -3.6637 -2.9033 -2.9031 -2.8198 -2.8156 -2.3674 -2.3648 -2.2746 -2.2743 -2.1037 -2.0972 -2.0428 -2.0387 -1.6328 -1.6283 -1.4380 -1.4353 -1.3183 -1.3152 -1.1854 -1.1816 -1.0102 -1.0073 -0.9898 -0.9870 -0.5188 -0.5168 -0.5155 -0.5081 -0.4508 -0.4458 -0.3973 -0.3902 -0.3892 -0.3850 -0.3391 -0.3365 7.1672 7.1688 7.6804 7.6889 7.8414 7.8439 k =-0.3435 0.2441 0.4214 ( 7724 PWs) bands (ev): -20.7717 -20.7716 -20.6383 -20.6382 -18.8008 -18.8001 -18.7920 -18.7880 -18.4483 -18.4450 -18.2785 -18.2748 -17.9785 -17.9746 -17.9330 -17.9328 -12.3268 -12.3268 -12.3136 -12.3136 -8.8011 -8.8004 -8.4908 -8.4895 -7.1994 -7.1933 -6.9928 -6.9927 -5.9504 -5.9457 -5.5429 -5.5386 -4.9531 -4.9515 -4.8269 -4.8212 -3.9966 -3.9960 -3.7553 -3.7525 -3.6818 -3.6764 -3.6529 -3.6514 -2.9005 -2.9003 -2.8043 -2.8000 -2.3830 -2.3802 -2.2748 -2.2745 -2.1071 -2.1003 -2.0388 -2.0344 -1.6520 -1.6479 -1.4422 -1.4392 -1.3175 -1.3144 -1.1754 -1.1719 -1.0103 -1.0073 -0.9888 -0.9860 -0.5200 -0.5196 -0.5181 -0.5092 -0.4510 -0.4454 -0.3968 -0.3895 -0.3887 -0.3823 -0.3361 -0.3334 7.1188 7.1202 7.7013 7.7098 7.8775 7.8799 k =-0.3317 0.2357 0.4069 ( 7724 PWs) bands (ev): -20.7809 -20.7809 -20.6286 -20.6285 -18.8005 -18.7998 -18.7904 -18.7863 -18.4589 -18.4555 -18.2641 -18.2603 -17.9845 -17.9803 -17.9334 -17.9332 -12.3278 -12.3278 -12.3128 -12.3128 -8.8169 -8.8162 -8.4605 -8.4590 -7.2233 -7.2171 -6.9939 -6.9938 -5.9760 -5.9712 -5.5139 -5.5095 -4.9605 -4.9590 -4.8202 -4.8142 -4.0091 -4.0084 -3.7448 -3.7419 -3.6737 -3.6681 -3.6407 -3.6392 -2.8974 -2.8972 -2.7881 -2.7835 -2.3992 -2.3962 -2.2745 -2.2741 -2.1107 -2.1035 -2.0348 -2.0303 -1.6706 -1.6668 -1.4466 -1.4432 -1.3170 -1.3138 -1.1659 -1.1629 -1.0102 -1.0072 -0.9879 -0.9853 -0.5226 -0.5221 -0.5199 -0.5102 -0.4513 -0.4452 -0.4015 -0.3941 -0.3823 -0.3756 -0.3330 -0.3302 7.0670 7.0683 7.7196 7.7279 7.9194 7.9215 k =-0.3199 0.2273 0.3924 ( 7724 PWs) bands (ev): -20.7905 -20.7905 -20.6183 -20.6182 -18.8002 -18.7994 -18.7888 -18.7846 -18.4702 -18.4667 -18.2491 -18.2453 -17.9905 -17.9862 -17.9338 -17.9336 -12.3289 -12.3288 -12.3119 -12.3119 -8.8333 -8.8327 -8.4282 -8.4267 -7.2470 -7.2408 -6.9952 -6.9950 -6.0032 -5.9984 -5.4845 -5.4802 -4.9675 -4.9661 -4.8133 -4.8071 -4.0213 -4.0207 -3.7353 -3.7325 -3.6651 -3.6595 -3.6288 -3.6273 -2.8941 -2.8939 -2.7710 -2.7663 -2.4159 -2.4127 -2.2736 -2.2731 -2.1143 -2.1069 -2.0310 -2.0263 -1.6885 -1.6850 -1.4509 -1.4472 -1.3167 -1.3135 -1.1571 -1.1543 -1.0100 -1.0069 -0.9873 -0.9849 -0.5256 -0.5250 -0.5207 -0.5110 -0.4517 -0.4449 -0.4067 -0.3989 -0.3757 -0.3690 -0.3296 -0.3269 7.0121 7.0133 7.7359 7.7437 7.9671 7.9682 k =-0.3080 0.2189 0.3778 ( 7724 PWs) bands (ev): -20.8003 -20.8003 -20.6075 -20.6074 -18.7998 -18.7989 -18.7871 -18.7829 -18.4822 -18.4787 -18.2337 -18.2298 -17.9964 -17.9921 -17.9343 -17.9341 -12.3300 -12.3300 -12.3111 -12.3111 -8.8504 -8.8498 -8.3941 -8.3926 -7.2704 -7.2641 -6.9964 -6.9963 -6.0319 -6.0271 -5.4550 -5.4507 -4.9740 -4.9727 -4.8063 -4.7999 -4.0334 -4.0327 -3.7269 -3.7243 -3.6560 -3.6506 -3.6172 -3.6157 -2.8905 -2.8903 -2.7532 -2.7484 -2.4328 -2.4296 -2.2719 -2.2714 -2.1180 -2.1105 -2.0274 -2.0225 -1.7056 -1.7024 -1.4551 -1.4510 -1.3168 -1.3136 -1.1487 -1.1463 -1.0096 -1.0067 -0.9868 -0.9848 -0.5288 -0.5281 -0.5213 -0.5117 -0.4522 -0.4448 -0.4120 -0.4037 -0.3691 -0.3625 -0.3262 -0.3234 6.9544 6.9554 7.7506 7.7579 8.0185 8.0198 k =-0.2962 0.2105 0.3633 ( 7728 PWs) bands (ev): -20.8103 -20.8102 -20.5962 -20.5962 -18.7994 -18.7985 -18.7854 -18.7812 -18.4949 -18.4913 -18.2179 -18.2140 -18.0024 -17.9980 -17.9347 -17.9345 -12.3312 -12.3312 -12.3102 -12.3102 -8.8680 -8.8674 -8.3583 -8.3567 -7.2933 -7.2871 -6.9978 -6.9976 -6.0622 -6.0574 -5.4256 -5.4213 -4.9799 -4.9788 -4.7993 -4.7927 -4.0451 -4.0444 -3.7195 -3.7174 -3.6467 -3.6416 -3.6062 -3.6046 -2.8868 -2.8865 -2.7348 -2.7299 -2.4499 -2.4466 -2.2696 -2.2690 -2.1218 -2.1141 -2.0239 -2.0189 -1.7219 -1.7190 -1.4590 -1.4546 -1.3173 -1.3141 -1.1409 -1.1388 -1.0092 -1.0066 -0.9863 -0.9848 -0.5320 -0.5313 -0.5217 -0.5122 -0.4529 -0.4449 -0.4173 -0.4085 -0.3627 -0.3562 -0.3226 -0.3198 6.8941 6.8950 7.7640 7.7709 8.0739 8.0749 k =-0.2843 0.2020 0.3488 ( 7729 PWs) bands (ev): -20.8203 -20.8203 -20.5846 -20.5845 -18.7989 -18.7980 -18.7837 -18.7794 -18.5082 -18.5046 -18.2019 -18.1980 -18.0082 -18.0038 -17.9351 -17.9349 -12.3324 -12.3324 -12.3094 -12.3094 -8.8860 -8.8854 -8.3208 -8.3191 -7.3156 -7.3095 -6.9992 -6.9990 -6.0938 -6.0890 -5.3963 -5.3921 -4.9852 -4.9843 -4.7923 -4.7856 -4.0566 -4.0559 -3.7132 -3.7114 -3.6373 -3.6327 -3.5958 -3.5942 -2.8829 -2.8826 -2.7158 -2.7108 -2.4670 -2.4638 -2.2666 -2.2659 -2.1257 -2.1179 -2.0207 -2.0156 -1.7374 -1.7347 -1.4626 -1.4578 -1.3181 -1.3149 -1.1337 -1.1319 -1.0088 -1.0066 -0.9857 -0.9850 -0.5352 -0.5343 -0.5219 -0.5125 -0.4537 -0.4451 -0.4227 -0.4134 -0.3565 -0.3501 -0.3190 -0.3163 6.8316 6.8324 7.7766 7.7830 8.1328 8.1408 k =-0.2725 0.1936 0.3343 ( 7733 PWs) bands (ev): -20.8305 -20.8305 -20.5725 -20.5725 -18.7984 -18.7975 -18.7819 -18.7777 -18.5221 -18.5185 -18.1857 -18.1818 -18.0139 -18.0095 -17.9355 -17.9353 -12.3338 -12.3337 -12.3085 -12.3085 -8.9043 -8.9037 -8.2817 -8.2800 -7.3372 -7.3312 -7.0006 -7.0005 -6.1267 -6.1220 -5.3674 -5.3632 -4.9900 -4.9891 -4.7854 -4.7786 -4.0678 -4.0671 -3.7077 -3.7063 -3.6281 -3.6240 -3.5861 -3.5846 -2.8790 -2.8787 -2.6963 -2.6912 -2.4840 -2.4808 -2.2629 -2.2621 -2.1296 -2.1217 -2.0176 -2.0124 -1.7520 -1.7496 -1.4657 -1.4605 -1.3193 -1.3161 -1.1270 -1.1254 -1.0086 -1.0070 -0.9853 -0.9851 -0.5382 -0.5373 -0.5220 -0.5128 -0.4548 -0.4455 -0.4279 -0.4182 -0.3506 -0.3443 -0.3154 -0.3127 6.7674 6.7682 7.7886 7.7945 8.1947 8.1982 k =-0.2606 0.1852 0.3197 ( 7725 PWs) bands (ev): -20.8406 -20.8406 -20.5601 -20.5601 -18.7978 -18.7969 -18.7802 -18.7760 -18.5365 -18.5330 -18.1694 -18.1656 -18.0194 -18.0150 -17.9360 -17.9357 -12.3351 -12.3351 -12.3077 -12.3077 -8.9227 -8.9222 -8.2411 -8.2394 -7.3581 -7.3522 -7.0021 -7.0020 -6.1609 -6.1563 -5.3390 -5.3349 -4.9940 -4.9934 -4.7786 -4.7717 -4.0786 -4.0779 -3.7028 -3.7019 -3.6193 -3.6157 -3.5772 -3.5758 -2.8752 -2.8748 -2.6764 -2.6712 -2.5008 -2.4975 -2.2586 -2.2577 -2.1335 -2.1256 -2.0148 -2.0096 -1.7657 -1.7636 -1.4682 -1.4627 -1.3207 -1.3176 -1.1208 -1.1194 -1.0087 -1.0079 -0.9854 -0.9841 -0.5410 -0.5399 -0.5220 -0.5129 -0.4560 -0.4464 -0.4329 -0.4229 -0.3450 -0.3388 -0.3118 -0.3093 6.7020 6.7026 7.8001 7.8057 8.2346 8.2378 k =-0.2488 0.1768 0.3052 ( 7733 PWs) bands (ev): -20.8507 -20.8507 -20.5475 -20.5475 -18.7973 -18.7963 -18.7784 -18.7743 -18.5514 -18.5479 -18.1531 -18.1493 -18.0248 -18.0204 -17.9364 -17.9361 -12.3365 -12.3365 -12.3069 -12.3069 -8.9412 -8.9408 -8.1990 -8.1974 -7.3782 -7.3725 -7.0037 -7.0035 -6.1962 -6.1918 -5.3112 -5.3072 -4.9975 -4.9970 -4.7719 -4.7650 -4.0891 -4.0884 -3.6985 -3.6980 -3.6112 -3.6080 -3.5693 -3.5679 -2.8715 -2.8711 -2.6560 -2.6509 -2.5170 -2.5138 -2.2539 -2.2529 -2.1374 -2.1295 -2.0122 -2.0069 -1.7786 -1.7768 -1.4700 -1.4641 -1.3226 -1.3194 -1.1151 -1.1139 -1.0094 -1.0094 -0.9853 -0.9828 -0.5435 -0.5423 -0.5219 -0.5129 -0.4576 -0.4480 -0.4373 -0.4274 -0.3397 -0.3336 -0.3084 -0.3059 6.6356 6.6362 7.8113 7.8165 8.2694 8.2729 k =-0.2369 0.1684 0.2907 ( 7735 PWs) bands (ev): -20.8607 -20.8607 -20.5347 -20.5346 -18.7967 -18.7958 -18.7766 -18.7726 -18.5667 -18.5632 -18.1369 -18.1332 -18.0299 -18.0256 -17.9368 -17.9365 -12.3379 -12.3379 -12.3062 -12.3062 -8.9597 -8.9593 -8.1557 -8.1540 -7.3974 -7.3919 -7.0053 -7.0051 -6.2327 -6.2284 -5.2841 -5.2802 -5.0003 -5.0000 -4.7655 -4.7585 -4.0992 -4.0986 -3.6946 -3.6945 -3.6037 -3.6010 -3.5623 -3.5611 -2.8682 -2.8677 -2.6353 -2.6302 -2.5326 -2.5294 -2.2487 -2.2476 -2.1413 -2.1335 -2.0099 -2.0046 -1.7907 -1.7891 -1.4710 -1.4647 -1.3247 -1.3216 -1.1099 -1.1088 -1.0114 -1.0106 -0.9849 -0.9813 -0.5456 -0.5444 -0.5217 -0.5128 -0.4594 -0.4508 -0.4405 -0.4318 -0.3347 -0.3287 -0.3050 -0.3027 6.5689 6.5694 7.8223 7.8271 8.2980 8.3018 k =-0.2251 0.1599 0.2761 ( 7733 PWs) bands (ev): -20.8705 -20.8705 -20.5217 -20.5217 -18.7961 -18.7952 -18.7749 -18.7710 -18.5822 -18.5789 -18.1208 -18.1172 -18.0348 -18.0307 -17.9372 -17.9369 -12.3393 -12.3393 -12.3054 -12.3054 -8.9781 -8.9777 -8.1111 -8.1094 -7.4157 -7.4103 -7.0068 -7.0067 -6.2702 -6.2661 -5.2579 -5.2541 -5.0026 -5.0024 -4.7592 -4.7523 -4.1090 -4.1085 -3.6911 -3.6910 -3.5969 -3.5947 -3.5563 -3.5552 -2.8652 -2.8647 -2.6144 -2.6093 -2.5473 -2.5443 -2.2433 -2.2421 -2.1451 -2.1374 -2.0078 -2.0025 -1.8021 -1.8006 -1.4711 -1.4644 -1.3271 -1.3241 -1.1053 -1.1043 -1.0140 -1.0125 -0.9842 -0.9796 -0.5474 -0.5459 -0.5214 -0.5126 -0.4616 -0.4549 -0.4426 -0.4358 -0.3299 -0.3241 -0.3019 -0.2997 6.5022 6.5026 7.8331 7.8375 8.3176 8.3217 k =-0.2132 0.1515 0.2616 ( 7731 PWs) bands (ev): -20.8801 -20.8801 -20.5087 -20.5086 -18.7955 -18.7946 -18.7732 -18.7694 -18.5979 -18.5947 -18.1050 -18.1016 -18.0394 -18.0354 -17.9375 -17.9373 -12.3408 -12.3408 -12.3047 -12.3047 -8.9962 -8.9959 -8.0653 -8.0637 -7.4331 -7.4279 -7.0084 -7.0083 -6.3086 -6.3047 -5.2326 -5.2289 -5.0043 -5.0043 -4.7533 -4.7465 -4.1186 -4.1180 -3.6879 -3.6875 -3.5909 -3.5891 -3.5513 -3.5503 -2.8629 -2.8623 -2.5932 -2.5882 -2.5610 -2.5581 -2.2377 -2.2364 -2.1488 -2.1412 -2.0060 -2.0006 -1.8128 -1.8115 -1.4702 -1.4632 -1.3298 -1.3268 -1.1011 -1.1001 -1.0169 -1.0150 -0.9833 -0.9777 -0.5486 -0.5471 -0.5211 -0.5124 -0.4641 -0.4596 -0.4441 -0.4395 -0.3255 -0.3198 -0.2989 -0.2969 6.4360 6.4364 7.8437 7.8478 8.3252 8.3295 k =-0.2014 0.1431 0.2471 ( 7719 PWs) bands (ev): -20.8894 -20.8894 -20.4956 -20.4956 -18.7948 -18.7939 -18.7715 -18.7678 -18.6137 -18.6106 -18.0896 -18.0862 -18.0438 -18.0400 -17.9379 -17.9377 -12.3423 -12.3423 -12.3041 -12.3041 -9.0140 -9.0137 -8.0186 -8.0170 -7.4495 -7.4445 -7.0100 -7.0099 -6.3480 -6.3442 -5.2083 -5.2047 -5.0056 -5.0054 -4.7476 -4.7409 -4.1278 -4.1273 -3.6847 -3.6841 -3.5856 -3.5843 -3.5474 -3.5464 -2.8612 -2.8606 -2.5736 -2.5716 -2.5711 -2.5665 -2.2321 -2.2307 -2.1524 -2.1450 -2.0043 -1.9990 -1.8229 -1.8218 -1.4684 -1.4610 -1.3327 -1.3298 -1.0973 -1.0964 -1.0203 -1.0180 -0.9822 -0.9759 -0.5494 -0.5477 -0.5206 -0.5121 -0.4670 -0.4645 -0.4454 -0.4429 -0.3213 -0.3158 -0.2962 -0.2943 6.3707 6.3710 7.8542 7.8580 8.3198 8.3240 k =-0.1895 0.1347 0.2325 ( 7731 PWs) bands (ev): -20.8984 -20.8984 -20.4826 -20.4826 -18.7942 -18.7933 -18.7699 -18.7663 -18.6295 -18.6266 -18.0746 -18.0714 -18.0480 -18.0443 -17.9383 -17.9380 -12.3437 -12.3437 -12.3035 -12.3034 -9.0313 -9.0311 -7.9709 -7.9693 -7.4649 -7.4602 -7.0116 -7.0115 -6.3881 -6.3846 -5.1851 -5.1817 -5.0064 -5.0061 -4.7423 -4.7357 -4.1367 -4.1363 -3.6815 -3.6807 -3.5811 -3.5801 -3.5444 -3.5436 -2.8605 -2.8597 -2.5846 -2.5821 -2.5503 -2.5454 -2.2266 -2.2251 -2.1559 -2.1487 -2.0029 -1.9977 -1.8325 -1.8316 -1.4655 -1.4579 -1.3358 -1.3330 -1.0940 -1.0931 -1.0240 -1.0215 -0.9811 -0.9741 -0.5497 -0.5478 -0.5202 -0.5118 -0.4702 -0.4694 -0.4467 -0.4460 -0.3175 -0.3121 -0.2937 -0.2920 6.3067 6.3070 7.8645 7.8680 8.3028 8.3067 k =-0.1777 0.1263 0.2180 ( 7707 PWs) bands (ev): -20.9071 -20.9071 -20.4698 -20.4698 -18.7936 -18.7927 -18.7683 -18.7649 -18.6451 -18.6424 -18.0602 -18.0571 -18.0517 -18.0483 -17.9386 -17.9383 -12.3452 -12.3452 -12.3029 -12.3029 -9.0481 -9.0479 -7.9224 -7.9209 -7.4793 -7.4749 -7.0132 -7.0130 -6.4291 -6.4257 -5.1631 -5.1598 -5.0068 -5.0064 -4.7373 -4.7309 -4.1454 -4.1450 -3.6782 -3.6773 -3.5772 -3.5766 -3.5422 -3.5416 -2.8606 -2.8598 -2.5942 -2.5919 -2.5288 -2.5241 -2.2214 -2.2197 -2.1591 -2.1523 -2.0016 -1.9965 -1.8418 -1.8410 -1.4617 -1.4539 -1.3390 -1.3363 -1.0910 -1.0901 -1.0279 -1.0253 -0.9801 -0.9725 -0.5494 -0.5474 -0.5196 -0.5114 -0.4741 -0.4735 -0.4487 -0.4481 -0.3139 -0.3086 -0.2915 -0.2899 6.2444 6.2447 7.8746 7.8778 8.2777 8.2813 k =-0.1658 0.1179 0.2035 ( 7719 PWs) bands (ev): -20.9154 -20.9154 -20.4572 -20.4572 -18.7929 -18.7921 -18.7668 -18.7636 -18.6605 -18.6579 -18.0557 -18.0523 -18.0459 -18.0430 -17.9389 -17.9387 -12.3466 -12.3466 -12.3023 -12.3023 -9.0642 -9.0640 -7.8732 -7.8717 -7.4928 -7.4886 -7.0147 -7.0146 -6.4707 -6.4676 -5.1424 -5.1392 -5.0069 -5.0064 -4.7327 -4.7265 -4.1538 -4.1535 -3.6747 -3.6737 -3.5740 -3.5737 -3.5410 -3.5405 -2.8618 -2.8608 -2.6022 -2.6001 -2.5073 -2.5027 -2.2164 -2.2147 -2.1621 -2.1557 -2.0005 -1.9956 -1.8510 -1.8502 -1.4569 -1.4489 -1.3424 -1.3398 -1.0883 -1.0875 -1.0320 -1.0292 -0.9792 -0.9712 -0.5487 -0.5465 -0.5190 -0.5110 -0.4786 -0.4768 -0.4513 -0.4495 -0.3105 -0.3054 -0.2896 -0.2882 6.1842 6.1845 7.8845 7.8875 8.2480 8.2512 k =-0.1540 0.1094 0.1889 ( 7725 PWs) bands (ev): -20.9233 -20.9233 -20.4449 -20.4449 -18.7923 -18.7916 -18.7653 -18.7623 -18.6756 -18.6732 -18.0590 -18.0558 -18.0326 -18.0299 -17.9392 -17.9390 -12.3480 -12.3480 -12.3018 -12.3018 -9.0796 -9.0795 -7.8234 -7.8220 -7.5053 -7.5013 -7.0162 -7.0161 -6.5130 -6.5102 -5.1229 -5.1199 -5.0066 -5.0060 -4.7284 -4.7225 -4.1620 -4.1617 -3.6711 -3.6701 -3.5713 -3.5712 -3.5404 -3.5401 -2.8639 -2.8629 -2.6086 -2.6067 -2.4859 -2.4815 -2.2119 -2.2100 -2.1649 -2.1589 -1.9996 -1.9948 -1.8600 -1.8594 -1.4513 -1.4432 -1.3458 -1.3433 -1.0859 -1.0851 -1.0362 -1.0334 -0.9786 -0.9703 -0.5475 -0.5452 -0.5183 -0.5106 -0.4828 -0.4801 -0.4538 -0.4510 -0.3073 -0.3025 -0.2879 -0.2866 6.1265 6.1267 7.8942 7.8969 8.2163 8.2190 k =-0.1422 0.1010 0.1744 ( 7733 PWs) bands (ev): -20.9308 -20.9308 -20.4331 -20.4331 -18.7917 -18.7910 -18.7639 -18.7611 -18.6902 -18.6879 -18.0620 -18.0591 -18.0200 -18.0175 -17.9395 -17.9392 -12.3494 -12.3494 -12.3013 -12.3013 -9.0942 -9.0941 -7.7731 -7.7718 -7.5167 -7.5131 -7.0177 -7.0175 -6.5560 -6.5533 -5.1047 -5.1019 -5.0061 -5.0054 -4.7245 -4.7189 -4.1698 -4.1696 -3.6674 -3.6663 -3.5693 -3.5690 -3.5405 -3.5404 -2.8669 -2.8659 -2.6135 -2.6118 -2.4647 -2.4605 -2.2078 -2.2058 -2.1674 -2.1619 -1.9988 -1.9942 -1.8691 -1.8685 -1.4450 -1.4369 -1.3492 -1.3469 -1.0837 -1.0829 -1.0403 -1.0375 -0.9783 -0.9697 -0.5460 -0.5436 -0.5177 -0.5102 -0.4866 -0.4833 -0.4560 -0.4526 -0.3044 -0.2997 -0.2865 -0.2854 6.0715 6.0717 7.9035 7.9059 8.1841 8.1865 k =-0.1303 0.0926 0.1599 ( 7731 PWs) bands (ev): -20.9377 -20.9377 -20.4217 -20.4217 -18.7912 -18.7905 -18.7626 -18.7600 -18.7041 -18.7021 -18.0648 -18.0621 -18.0082 -18.0058 -17.9397 -17.9395 -12.3507 -12.3507 -12.3009 -12.3009 -9.1079 -9.1079 -7.7225 -7.7212 -7.5273 -7.5239 -7.0190 -7.0189 -6.5995 -6.5970 -5.0879 -5.0852 -5.0053 -5.0046 -4.7210 -4.7157 -4.1774 -4.1772 -3.6635 -3.6624 -3.5678 -3.5671 -3.5412 -3.5411 -2.8707 -2.8697 -2.6169 -2.6154 -2.4439 -2.4399 -2.2043 -2.2020 -2.1696 -2.1646 -1.9981 -1.9938 -1.8783 -1.8778 -1.4381 -1.4300 -1.3526 -1.3505 -1.0816 -1.0809 -1.0444 -1.0416 -0.9784 -0.9696 -0.5442 -0.5417 -0.5169 -0.5099 -0.4899 -0.4862 -0.4583 -0.4543 -0.3016 -0.2972 -0.2854 -0.2844 6.0197 6.0198 7.9124 7.9147 8.1527 8.1548 k =-0.1185 0.0842 0.1453 ( 7729 PWs) bands (ev): -20.9442 -20.9442 -20.4109 -20.4109 -18.7906 -18.7900 -18.7614 -18.7590 -18.7174 -18.7155 -18.0674 -18.0649 -17.9972 -17.9949 -17.9399 -17.9397 -12.3519 -12.3519 -12.3005 -12.3005 -9.1207 -9.1206 -7.6717 -7.6705 -7.5368 -7.5337 -7.0203 -7.0202 -6.6434 -6.6412 -5.0725 -5.0700 -5.0044 -5.0036 -4.7178 -4.7129 -4.1847 -4.1845 -3.6595 -3.6585 -3.5666 -3.5657 -3.5424 -3.5422 -2.8751 -2.8741 -2.6191 -2.6178 -2.4234 -2.4196 -2.2012 -2.1987 -2.1714 -2.1671 -1.9974 -1.9934 -1.8877 -1.8872 -1.4307 -1.4227 -1.3560 -1.3539 -1.0797 -1.0790 -1.0483 -1.0456 -0.9787 -0.9699 -0.5422 -0.5396 -0.5161 -0.5096 -0.4927 -0.4888 -0.4604 -0.4561 -0.2991 -0.2948 -0.2845 -0.2835 5.9713 5.9714 7.9209 7.9230 8.1228 8.1246 k =-0.1066 0.0758 0.1308 ( 7737 PWs) bands (ev): -20.9501 -20.9501 -20.4008 -20.4008 -18.7901 -18.7896 -18.7603 -18.7581 -18.7298 -18.7281 -18.0697 -18.0674 -17.9870 -17.9850 -17.9401 -17.9399 -12.3531 -12.3531 -12.3001 -12.3001 -9.1324 -9.1324 -7.6208 -7.6197 -7.5454 -7.5426 -7.0215 -7.0214 -6.6878 -6.6858 -5.0585 -5.0562 -5.0034 -5.0026 -4.7150 -4.7104 -4.1916 -4.1915 -3.6556 -3.6546 -3.5657 -3.5646 -3.5439 -3.5434 -2.8799 -2.8789 -2.6203 -2.6192 -2.4036 -2.4000 -2.1988 -2.1959 -2.1727 -2.1693 -1.9968 -1.9931 -1.8973 -1.8968 -1.4230 -1.4153 -1.3591 -1.3573 -1.0780 -1.0772 -1.0520 -1.0495 -0.9795 -0.9708 -0.5402 -0.5375 -0.5153 -0.5094 -0.4950 -0.4911 -0.4624 -0.4580 -0.2967 -0.2927 -0.2838 -0.2829 5.9265 5.9266 7.9289 7.9308 8.0949 8.0964 k =-0.0948 0.0673 0.1163 ( 7745 PWs) bands (ev): -20.9554 -20.9554 -20.3915 -20.3915 -18.7897 -18.7892 -18.7593 -18.7573 -18.7412 -18.7397 -18.0717 -18.0697 -17.9778 -17.9760 -17.9403 -17.9400 -12.3542 -12.3542 -12.2998 -12.2998 -9.1431 -9.1431 -7.5700 -7.5690 -7.5530 -7.5505 -7.0226 -7.0225 -6.7325 -6.7307 -5.0459 -5.0438 -5.0023 -5.0015 -4.7125 -4.7084 -4.1980 -4.1979 -3.6516 -3.6507 -3.5652 -3.5639 -3.5455 -3.5448 -2.8848 -2.8838 -2.6207 -2.6197 -2.3845 -2.3812 -2.1969 -2.1937 -2.1737 -2.1711 -1.9963 -1.9930 -1.9070 -1.9066 -1.4153 -1.4079 -1.3621 -1.3605 -1.0763 -1.0757 -1.0554 -1.0530 -0.9805 -0.9720 -0.5381 -0.5355 -0.5144 -0.5094 -0.4965 -0.4930 -0.4643 -0.4599 -0.2946 -0.2908 -0.2833 -0.2824 5.8857 5.8858 7.9364 7.9380 8.0694 8.0707 k =-0.0829 0.0589 0.1017 ( 7749 PWs) bands (ev): -20.9602 -20.9602 -20.3831 -20.3831 -18.7893 -18.7889 -18.7585 -18.7567 -18.7514 -18.7502 -18.0735 -18.0717 -17.9696 -17.9679 -17.9404 -17.9402 -12.3551 -12.3551 -12.2995 -12.2995 -9.1526 -9.1526 -7.5597 -7.5575 -7.5195 -7.5187 -7.0236 -7.0236 -6.7774 -6.7758 -5.0348 -5.0329 -5.0012 -5.0004 -4.7103 -4.7066 -4.2039 -4.2039 -3.6479 -3.6470 -3.5649 -3.5635 -3.5470 -3.5462 -2.8897 -2.8888 -2.6205 -2.6196 -2.3663 -2.3633 -2.1955 -2.1921 -2.1742 -2.1725 -1.9959 -1.9929 -1.9167 -1.9163 -1.4077 -1.4008 -1.3649 -1.3634 -1.0748 -1.0742 -1.0584 -1.0562 -0.9817 -0.9737 -0.5361 -0.5337 -0.5135 -0.5095 -0.4975 -0.4944 -0.4661 -0.4618 -0.2926 -0.2892 -0.2829 -0.2820 5.8492 5.8492 7.9431 7.9445 8.0465 8.0475 k =-0.0711 0.0505 0.0872 ( 7757 PWs) bands (ev): -20.9644 -20.9644 -20.3755 -20.3755 -18.7889 -18.7886 -18.7613 -18.7600 -18.7570 -18.7557 -18.0750 -18.0735 -17.9624 -17.9609 -17.9405 -17.9402 -12.3560 -12.3560 -12.2993 -12.2993 -9.1610 -9.1610 -7.5654 -7.5636 -7.4696 -7.4689 -7.0245 -7.0245 -6.8223 -6.8209 -5.0252 -5.0235 -5.0001 -4.9993 -4.7084 -4.7052 -4.2093 -4.2093 -3.6443 -3.6436 -3.5648 -3.5633 -3.5485 -3.5476 -2.8943 -2.8934 -2.6199 -2.6192 -2.3495 -2.3467 -2.1947 -2.1910 -2.1742 -2.1734 -1.9954 -1.9928 -1.9262 -1.9259 -1.4004 -1.3941 -1.3674 -1.3661 -1.0734 -1.0730 -1.0610 -1.0591 -0.9830 -0.9756 -0.5342 -0.5320 -0.5127 -0.5098 -0.4979 -0.4955 -0.4678 -0.4637 -0.2909 -0.2878 -0.2825 -0.2817 5.8170 5.8171 7.9490 7.9503 8.0265 8.0272 k =-0.0592 0.0421 0.0727 ( 7751 PWs) bands (ev): -20.9679 -20.9679 -20.3690 -20.3690 -18.7886 -18.7884 -18.7689 -18.7679 -18.7565 -18.7554 -18.0763 -18.0750 -17.9563 -17.9550 -17.9404 -17.9402 -12.3567 -12.3567 -12.2991 -12.2991 -9.1681 -9.1681 -7.5703 -7.5687 -7.4208 -7.4202 -7.0253 -7.0252 -6.8667 -6.8656 -5.0171 -5.0156 -4.9989 -4.9983 -4.7068 -4.7041 -4.2140 -4.2140 -3.6411 -3.6405 -3.5649 -3.5635 -3.5496 -3.5487 -2.8984 -2.8977 -2.6191 -2.6185 -2.3341 -2.3317 -2.1943 -2.1906 -2.1740 -2.1737 -1.9950 -1.9928 -1.9353 -1.9350 -1.3936 -1.3881 -1.3695 -1.3685 -1.0722 -1.0719 -1.0631 -1.0614 -0.9843 -0.9777 -0.5326 -0.5306 -0.5120 -0.5101 -0.4979 -0.4962 -0.4692 -0.4655 -0.2894 -0.2867 -0.2822 -0.2814 5.7894 5.7895 7.9540 7.9552 8.0095 8.0101 k =-0.0474 0.0337 0.0581 ( 7755 PWs) bands (ev): -20.9708 -20.9708 -20.3636 -20.3636 -18.7885 -18.7883 -18.7753 -18.7746 -18.7560 -18.7550 -18.0773 -18.0763 -17.9513 -17.9503 -17.9403 -17.9401 -12.3574 -12.3574 -12.2989 -12.2989 -9.1740 -9.1740 -7.5742 -7.5729 -7.3736 -7.3731 -7.0260 -7.0259 -6.9102 -6.9093 -5.0106 -5.0094 -4.9978 -4.9973 -4.7055 -4.7033 -4.2179 -4.2179 -3.6383 -3.6378 -3.5652 -3.5639 -3.5505 -3.5497 -2.9020 -2.9014 -2.6182 -2.6177 -2.3207 -2.3187 -2.1941 -2.1907 -2.1736 -2.1735 -1.9946 -1.9929 -1.9436 -1.9433 -1.3877 -1.3830 -1.3713 -1.3705 -1.0713 -1.0712 -1.0645 -1.0633 -0.9855 -0.9799 -0.5312 -0.5295 -0.5114 -0.5103 -0.4976 -0.4966 -0.4703 -0.4672 -0.2882 -0.2860 -0.2818 -0.2812 5.7667 5.7667 7.9578 7.9589 7.9959 7.9962 k =-0.0355 0.0253 0.0436 ( 7763 PWs) bands (ev): -20.9731 -20.9731 -20.3593 -20.3593 -18.7885 -18.7884 -18.7802 -18.7798 -18.7555 -18.7547 -18.0780 -18.0773 -17.9476 -17.9468 -17.9400 -17.9398 -12.3579 -12.3579 -12.2988 -12.2988 -9.1786 -9.1786 -7.5772 -7.5762 -7.3292 -7.3289 -7.0265 -7.0265 -6.9515 -6.9508 -5.0057 -5.0049 -4.9965 -4.9962 -4.7044 -4.7027 -4.2211 -4.2211 -3.6360 -3.6356 -3.5654 -3.5644 -3.5511 -3.5504 -2.9049 -2.9044 -2.6174 -2.6170 -2.3096 -2.3080 -2.1940 -2.1912 -2.1732 -2.1730 -1.9942 -1.9929 -1.9507 -1.9504 -1.3827 -1.3790 -1.3726 -1.3721 -1.0709 -1.0707 -1.0654 -1.0647 -0.9864 -0.9820 -0.5300 -0.5288 -0.5110 -0.5105 -0.4973 -0.4967 -0.4712 -0.4687 -0.2873 -0.2856 -0.2814 -0.2810 5.7488 5.7488 7.9602 7.9612 7.9859 7.9859 k =-0.0237 0.0168 0.0291 ( 7775 PWs) bands (ev): -20.9748 -20.9748 -20.3562 -20.3562 -18.7888 -18.7888 -18.7835 -18.7833 -18.7551 -18.7546 -18.0785 -18.0780 -17.9453 -17.9448 -17.9394 -17.9393 -12.3582 -12.3582 -12.2987 -12.2987 -9.1820 -9.1819 -7.5793 -7.5786 -7.2901 -7.2899 -7.0269 -7.0269 -6.9884 -6.9879 -5.0026 -5.0021 -4.9952 -4.9950 -4.7035 -4.7024 -4.2234 -4.2234 -3.6343 -3.6341 -3.5656 -3.5649 -3.5515 -3.5510 -2.9070 -2.9067 -2.6167 -2.6164 -2.3012 -2.3001 -2.1939 -2.1919 -2.1728 -2.1725 -1.9939 -1.9930 -1.9561 -1.9560 -1.3789 -1.3764 -1.3735 -1.3732 -1.0708 -1.0705 -1.0658 -1.0655 -0.9869 -0.9839 -0.5291 -0.5283 -0.5107 -0.5106 -0.4970 -0.4967 -0.4717 -0.4700 -0.2866 -0.2855 -0.2810 -0.2808 5.7360 5.7360 7.9609 7.9617 7.9797 7.9798 k =-0.0118 0.0084 0.0145 ( 7771 PWs) bands (ev): -20.9758 -20.9758 -20.3543 -20.3543 -18.7895 -18.7894 -18.7850 -18.7849 -18.7548 -18.7545 -18.0788 -18.0785 -17.9440 -17.9438 -17.9388 -17.9387 -12.3584 -12.3584 -12.2987 -12.2987 -9.1839 -9.1839 -7.5805 -7.5801 -7.2610 -7.2609 -7.0277 -7.0276 -7.0156 -7.0154 -5.0010 -5.0008 -4.9941 -4.9940 -4.7029 -4.7023 -4.2248 -4.2248 -3.6333 -3.6331 -3.5657 -3.5653 -3.5516 -3.5514 -2.9082 -2.9081 -2.6162 -2.6161 -2.2959 -2.2953 -2.1936 -2.1926 -2.1723 -2.1722 -1.9936 -1.9932 -1.9596 -1.9595 -1.3766 -1.3755 -1.3736 -1.3734 -1.0707 -1.0705 -1.0659 -1.0658 -0.9869 -0.9854 -0.5285 -0.5280 -0.5106 -0.5106 -0.4968 -0.4967 -0.4718 -0.4709 -0.2861 -0.2856 -0.2808 -0.2807 5.7282 5.7283 7.9604 7.9609 7.9770 7.9771 k = 0.0000 0.0000 0.0000 ( 7771 PWs) bands (ev): -20.9761 -20.9761 -20.3537 -20.3537 -18.7897 -18.7897 -18.7854 -18.7854 -18.7546 -18.7546 -18.0788 -18.0788 -17.9436 -17.9436 -17.9385 -17.9385 -12.3585 -12.3585 -12.2986 -12.2986 -9.1846 -9.1846 -7.5808 -7.5808 -7.2496 -7.2496 -7.0298 -7.0298 -7.0243 -7.0243 -5.0004 -5.0004 -4.9936 -4.9936 -4.7025 -4.7025 -4.2253 -4.2253 -3.6329 -3.6329 -3.5656 -3.5656 -3.5516 -3.5516 -2.9086 -2.9086 -2.6160 -2.6160 -2.2939 -2.2939 -2.1932 -2.1932 -2.1721 -2.1721 -1.9934 -1.9934 -1.9607 -1.9607 -1.3757 -1.3757 -1.3733 -1.3733 -1.0707 -1.0707 -1.0659 -1.0659 -0.9864 -0.9864 -0.5281 -0.5281 -0.5106 -0.5106 -0.4967 -0.4967 -0.4716 -0.4716 -0.2858 -0.2858 -0.2806 -0.2806 5.7257 5.7257 7.9602 7.9602 7.9765 7.9765 k = 0.0000 0.0000 0.0000 ( 7771 PWs) bands (ev): -20.9761 -20.9761 -20.3537 -20.3537 -18.7897 -18.7897 -18.7854 -18.7854 -18.7546 -18.7546 -18.0788 -18.0788 -17.9436 -17.9436 -17.9385 -17.9385 -12.3585 -12.3585 -12.2986 -12.2986 -9.1846 -9.1846 -7.5808 -7.5808 -7.2496 -7.2496 -7.0298 -7.0298 -7.0243 -7.0243 -5.0004 -5.0004 -4.9936 -4.9936 -4.7025 -4.7025 -4.2253 -4.2253 -3.6329 -3.6329 -3.5656 -3.5656 -3.5516 -3.5516 -2.9086 -2.9086 -2.6160 -2.6160 -2.2939 -2.2939 -2.1932 -2.1932 -2.1721 -2.1721 -1.9934 -1.9934 -1.9607 -1.9607 -1.3757 -1.3757 -1.3733 -1.3733 -1.0707 -1.0707 -1.0659 -1.0659 -0.9864 -0.9864 -0.5281 -0.5281 -0.5106 -0.5106 -0.4967 -0.4967 -0.4716 -0.4716 -0.2858 -0.2858 -0.2806 -0.2806 5.7257 5.7257 7.9602 7.9602 7.9765 7.9765 k = 0.0119 0.0168-0.0000 ( 7771 PWs) bands (ev): -20.9759 -20.9759 -20.3540 -20.3540 -18.7898 -18.7898 -18.7854 -18.7854 -18.7543 -18.7543 -18.0790 -18.0790 -17.9436 -17.9436 -17.9385 -17.9385 -12.3584 -12.3584 -12.2987 -12.2987 -9.1843 -9.1843 -7.5847 -7.5847 -7.2454 -7.2454 -7.0298 -7.0298 -7.0242 -7.0242 -5.0005 -5.0005 -4.9937 -4.9937 -4.7035 -4.7035 -4.2248 -4.2248 -3.6328 -3.6328 -3.5656 -3.5656 -3.5515 -3.5515 -2.9095 -2.9095 -2.6163 -2.6163 -2.2931 -2.2931 -2.1932 -2.1932 -2.1722 -2.1722 -1.9951 -1.9951 -1.9583 -1.9583 -1.3758 -1.3758 -1.3734 -1.3734 -1.0705 -1.0705 -1.0658 -1.0658 -0.9867 -0.9867 -0.5279 -0.5279 -0.5103 -0.5103 -0.4963 -0.4963 -0.4721 -0.4721 -0.2861 -0.2861 -0.2810 -0.2810 5.7279 5.7279 7.9598 7.9598 7.9760 7.9760 k = 0.0238 0.0335-0.0000 ( 7763 PWs) bands (ev): -20.9754 -20.9754 -20.3549 -20.3549 -18.7898 -18.7898 -18.7855 -18.7855 -18.7533 -18.7533 -18.0797 -18.0797 -17.9436 -17.9436 -17.9384 -17.9384 -12.3582 -12.3582 -12.2987 -12.2987 -9.1835 -9.1835 -7.5961 -7.5961 -7.2334 -7.2334 -7.0295 -7.0295 -7.0239 -7.0239 -5.0008 -5.0008 -4.9940 -4.9940 -4.7064 -4.7064 -4.2233 -4.2233 -3.6328 -3.6328 -3.5655 -3.5655 -3.5515 -3.5515 -2.9121 -2.9121 -2.6171 -2.6171 -2.2908 -2.2908 -2.1933 -2.1933 -2.1723 -2.1723 -1.9993 -1.9993 -1.9522 -1.9522 -1.3762 -1.3762 -1.3736 -1.3736 -1.0702 -1.0702 -1.0655 -1.0655 -0.9876 -0.9876 -0.5275 -0.5275 -0.5094 -0.5093 -0.4953 -0.4953 -0.4736 -0.4736 -0.2873 -0.2873 -0.2822 -0.2822 5.7346 5.7346 7.9586 7.9586 7.9748 7.9748 k = 0.0357 0.0503-0.0000 ( 7763 PWs) bands (ev): -20.9745 -20.9745 -20.3565 -20.3565 -18.7899 -18.7899 -18.7856 -18.7856 -18.7517 -18.7517 -18.0807 -18.0807 -17.9435 -17.9435 -17.9384 -17.9384 -12.3578 -12.3578 -12.2988 -12.2988 -9.1821 -9.1821 -7.6136 -7.6136 -7.2150 -7.2150 -7.0291 -7.0291 -7.0235 -7.0235 -5.0012 -5.0012 -4.9944 -4.9944 -4.7113 -4.7113 -4.2209 -4.2209 -3.6326 -3.6326 -3.5654 -3.5654 -3.5515 -3.5515 -2.9164 -2.9164 -2.6185 -2.6185 -2.2871 -2.2871 -2.1934 -2.1934 -2.1725 -2.1725 -2.0045 -2.0045 -1.9438 -1.9438 -1.3767 -1.3767 -1.3740 -1.3740 -1.0695 -1.0695 -1.0649 -1.0649 -0.9890 -0.9890 -0.5267 -0.5267 -0.5079 -0.5079 -0.4937 -0.4937 -0.4761 -0.4761 -0.2892 -0.2892 -0.2841 -0.2841 5.7457 5.7457 7.9567 7.9567 7.9727 7.9727 k = 0.0476 0.0670-0.0000 ( 7763 PWs) bands (ev): -20.9732 -20.9732 -20.3586 -20.3586 -18.7900 -18.7900 -18.7857 -18.7857 -18.7494 -18.7494 -18.0823 -18.0823 -17.9434 -17.9434 -17.9383 -17.9383 -12.3572 -12.3572 -12.2990 -12.2990 -9.1801 -9.1801 -7.6356 -7.6356 -7.1915 -7.1915 -7.0285 -7.0285 -7.0230 -7.0230 -5.0017 -5.0017 -4.9949 -4.9949 -4.7181 -4.7181 -4.2175 -4.2175 -3.6324 -3.6324 -3.5653 -3.5653 -3.5514 -3.5514 -2.9223 -2.9223 -2.6203 -2.6203 -2.2820 -2.2820 -2.1936 -2.1936 -2.1728 -2.1728 -2.0099 -2.0099 -1.9341 -1.9341 -1.3775 -1.3775 -1.3746 -1.3746 -1.0686 -1.0686 -1.0639 -1.0639 -0.9910 -0.9910 -0.5256 -0.5256 -0.5061 -0.5061 -0.4915 -0.4915 -0.4793 -0.4793 -0.2918 -0.2918 -0.2868 -0.2868 5.7611 5.7611 7.9538 7.9538 7.9697 7.9697 k = 0.0595 0.0838-0.0000 ( 7775 PWs) bands (ev): -20.9716 -20.9716 -20.3613 -20.3613 -18.7902 -18.7902 -18.7859 -18.7859 -18.7465 -18.7465 -18.0842 -18.0842 -17.9432 -17.9432 -17.9382 -17.9382 -12.3565 -12.3565 -12.2992 -12.2992 -9.1775 -9.1775 -7.6608 -7.6608 -7.1645 -7.1645 -7.0278 -7.0278 -7.0223 -7.0223 -5.0023 -5.0023 -4.9956 -4.9956 -4.7268 -4.7268 -4.2132 -4.2132 -3.6322 -3.6322 -3.5653 -3.5653 -3.5515 -3.5515 -2.9297 -2.9297 -2.6227 -2.6227 -2.2757 -2.2757 -2.1937 -2.1937 -2.1731 -2.1731 -2.0153 -2.0153 -1.9235 -1.9235 -1.3785 -1.3785 -1.3754 -1.3754 -1.0672 -1.0672 -1.0626 -1.0626 -0.9936 -0.9936 -0.5243 -0.5243 -0.5042 -0.5042 -0.4889 -0.4889 -0.4829 -0.4829 -0.2951 -0.2951 -0.2901 -0.2901 5.7808 5.7808 7.9501 7.9501 7.9658 7.9658 k = 0.0714 0.1005-0.0000 ( 7763 PWs) bands (ev): -20.9696 -20.9696 -20.3645 -20.3645 -18.7904 -18.7904 -18.7861 -18.7861 -18.7430 -18.7430 -18.0866 -18.0866 -17.9430 -17.9430 -17.9380 -17.9380 -12.3556 -12.3556 -12.2994 -12.2994 -9.1744 -9.1744 -7.6882 -7.6882 -7.1348 -7.1348 -7.0269 -7.0269 -7.0215 -7.0215 -5.0030 -5.0030 -4.9963 -4.9963 -4.7373 -4.7373 -4.2080 -4.2080 -3.6318 -3.6318 -3.5654 -3.5654 -3.5517 -3.5517 -2.9382 -2.9382 -2.6255 -2.6255 -2.2683 -2.2683 -2.1938 -2.1938 -2.1734 -2.1734 -2.0206 -2.0205 -1.9120 -1.9120 -1.3798 -1.3798 -1.3764 -1.3764 -1.0654 -1.0654 -1.0609 -1.0609 -0.9967 -0.9967 -0.5227 -0.5227 -0.5030 -0.5030 -0.4869 -0.4868 -0.4853 -0.4852 -0.2989 -0.2989 -0.2941 -0.2941 5.8046 5.8046 7.9455 7.9455 7.9609 7.9609 k = 0.0833 0.1173-0.0000 ( 7763 PWs) bands (ev): -20.9673 -20.9673 -20.3684 -20.3684 -18.7906 -18.7906 -18.7864 -18.7864 -18.7389 -18.7389 -18.0894 -18.0894 -17.9428 -17.9428 -17.9378 -17.9378 -12.3546 -12.3546 -12.2997 -12.2997 -9.1707 -9.1707 -7.7171 -7.7171 -7.1032 -7.1032 -7.0259 -7.0259 -7.0205 -7.0205 -5.0037 -5.0037 -4.9971 -4.9971 -4.7497 -4.7497 -4.2019 -4.2019 -3.6313 -3.6313 -3.5657 -3.5657 -3.5522 -3.5522 -2.9478 -2.9478 -2.6288 -2.6288 -2.2600 -2.2600 -2.1938 -2.1938 -2.1736 -2.1736 -2.0258 -2.0258 -1.8999 -1.8999 -1.3814 -1.3814 -1.3778 -1.3778 -1.0631 -1.0631 -1.0586 -1.0586 -1.0004 -1.0004 -0.5209 -0.5209 -0.5038 -0.5038 -0.4879 -0.4879 -0.4824 -0.4824 -0.3033 -0.3033 -0.2986 -0.2986 5.8324 5.8324 7.9399 7.9399 7.9550 7.9550 k = 0.0952 0.1340-0.0000 ( 7751 PWs) bands (ev): -20.9646 -20.9646 -20.3728 -20.3728 -18.7909 -18.7909 -18.7867 -18.7867 -18.7342 -18.7342 -18.0926 -18.0926 -17.9426 -17.9426 -17.9377 -17.9377 -12.3535 -12.3535 -12.3000 -12.3000 -9.1665 -9.1665 -7.7471 -7.7471 -7.0701 -7.0701 -7.0248 -7.0248 -7.0194 -7.0194 -5.0044 -5.0044 -4.9979 -4.9979 -4.7637 -4.7637 -4.1950 -4.1950 -3.6306 -3.6306 -3.5663 -3.5663 -3.5529 -3.5529 -2.9582 -2.9582 -2.6325 -2.6325 -2.2511 -2.2511 -2.1937 -2.1937 -2.1738 -2.1738 -2.0311 -2.0311 -1.8873 -1.8873 -1.3833 -1.3833 -1.3793 -1.3793 -1.0601 -1.0601 -1.0557 -1.0557 -1.0047 -1.0047 -0.5190 -0.5190 -0.5074 -0.5074 -0.4868 -0.4868 -0.4790 -0.4790 -0.3081 -0.3081 -0.3035 -0.3035 5.8641 5.8641 7.9332 7.9332 7.9479 7.9479 k = 0.1071 0.1508-0.0000 ( 7743 PWs) bands (ev): -20.9616 -20.9616 -20.3777 -20.3777 -18.7911 -18.7911 -18.7871 -18.7871 -18.7289 -18.7289 -18.0962 -18.0962 -17.9423 -17.9423 -17.9374 -17.9374 -12.3522 -12.3522 -12.3004 -12.3004 -9.1616 -9.1616 -7.7778 -7.7778 -7.0359 -7.0359 -7.0235 -7.0234 -7.0182 -7.0182 -5.0050 -5.0050 -4.9986 -4.9986 -4.7795 -4.7795 -4.1872 -4.1872 -3.6298 -3.6298 -3.5672 -3.5672 -3.5540 -3.5540 -2.9693 -2.9693 -2.6365 -2.6365 -2.2416 -2.2416 -2.1934 -2.1934 -2.1738 -2.1738 -2.0367 -2.0367 -1.8742 -1.8742 -1.3855 -1.3855 -1.3812 -1.3812 -1.0566 -1.0566 -1.0521 -1.0521 -1.0095 -1.0095 -0.5169 -0.5169 -0.5126 -0.5126 -0.4844 -0.4843 -0.4758 -0.4758 -0.3131 -0.3131 -0.3088 -0.3088 5.8994 5.8994 7.9254 7.9254 7.9397 7.9397 k = 0.1190 0.1675-0.0000 ( 7747 PWs) bands (ev): -20.9582 -20.9582 -20.3832 -20.3832 -18.7915 -18.7915 -18.7874 -18.7874 -18.7230 -18.7230 -18.1002 -18.1002 -17.9420 -17.9420 -17.9372 -17.9372 -12.3509 -12.3509 -12.3008 -12.3008 -9.1562 -9.1562 -7.8089 -7.8089 -7.0222 -7.0222 -7.0169 -7.0169 -7.0007 -7.0007 -5.0055 -5.0055 -4.9992 -4.9992 -4.7968 -4.7968 -4.1787 -4.1787 -3.6288 -3.6288 -3.5686 -3.5686 -3.5556 -3.5556 -2.9808 -2.9808 -2.6409 -2.6409 -2.2318 -2.2318 -2.1929 -2.1929 -2.1736 -2.1736 -2.0426 -2.0426 -1.8607 -1.8607 -1.3879 -1.3879 -1.3833 -1.3833 -1.0523 -1.0523 -1.0479 -1.0479 -1.0148 -1.0148 -0.5189 -0.5189 -0.5143 -0.5143 -0.4815 -0.4815 -0.4728 -0.4728 -0.3182 -0.3182 -0.3143 -0.3143 5.9382 5.9382 7.9164 7.9164 7.9303 7.9303 k = 0.1310 0.1843-0.0000 ( 7739 PWs) bands (ev): -20.9545 -20.9545 -20.3891 -20.3891 -18.7918 -18.7918 -18.7879 -18.7879 -18.7166 -18.7166 -18.1046 -18.1046 -17.9417 -17.9417 -17.9370 -17.9369 -12.3495 -12.3495 -12.3012 -12.3012 -9.1502 -9.1502 -7.8402 -7.8402 -7.0207 -7.0207 -7.0155 -7.0155 -6.9649 -6.9649 -5.0059 -5.0059 -4.9997 -4.9997 -4.8157 -4.8157 -4.1694 -4.1694 -3.6277 -3.6277 -3.5706 -3.5706 -3.5578 -3.5578 -2.9926 -2.9926 -2.6454 -2.6454 -2.2219 -2.2219 -2.1921 -2.1921 -2.1732 -2.1732 -2.0490 -2.0490 -1.8468 -1.8468 -1.3905 -1.3905 -1.3857 -1.3857 -1.0474 -1.0474 -1.0430 -1.0430 -1.0206 -1.0206 -0.5248 -0.5248 -0.5121 -0.5121 -0.4787 -0.4787 -0.4704 -0.4704 -0.3233 -0.3233 -0.3197 -0.3197 5.9802 5.9802 7.9063 7.9063 7.9197 7.9197 k = 0.1429 0.2010-0.0000 ( 7731 PWs) bands (ev): -20.9504 -20.9504 -20.3955 -20.3955 -18.7922 -18.7922 -18.7883 -18.7883 -18.7097 -18.7097 -18.1094 -18.1094 -17.9413 -17.9413 -17.9367 -17.9367 -12.3480 -12.3480 -12.3017 -12.3017 -9.1436 -9.1436 -7.8717 -7.8717 -7.0192 -7.0192 -7.0140 -7.0140 -6.9285 -6.9285 -5.0060 -5.0060 -4.9999 -4.9999 -4.8361 -4.8361 -4.1594 -4.1594 -3.6265 -3.6265 -3.5731 -3.5731 -3.5606 -3.5606 -3.0044 -3.0044 -2.6501 -2.6501 -2.2119 -2.2119 -2.1911 -2.1911 -2.1724 -2.1724 -2.0562 -2.0562 -1.8327 -1.8327 -1.3933 -1.3933 -1.3882 -1.3882 -1.0420 -1.0420 -1.0375 -1.0375 -1.0267 -1.0267 -0.5306 -0.5306 -0.5097 -0.5097 -0.4765 -0.4765 -0.4688 -0.4688 -0.3280 -0.3280 -0.3250 -0.3250 6.0253 6.0253 7.8949 7.8949 7.9078 7.9078 k = 0.1548 0.2178-0.0000 ( 7723 PWs) bands (ev): -20.9460 -20.9460 -20.4024 -20.4024 -18.7926 -18.7926 -18.7888 -18.7888 -18.7023 -18.7023 -18.1146 -18.1146 -17.9409 -17.9409 -17.9364 -17.9364 -12.3465 -12.3465 -12.3022 -12.3022 -9.1364 -9.1364 -7.9032 -7.9032 -7.0175 -7.0175 -7.0125 -7.0125 -6.8916 -6.8916 -5.0059 -5.0059 -4.9999 -4.9999 -4.8577 -4.8577 -4.1489 -4.1489 -3.6252 -3.6252 -3.5764 -3.5764 -3.5641 -3.5641 -3.0162 -3.0162 -2.6550 -2.6550 -2.2021 -2.2021 -2.1896 -2.1896 -2.1714 -2.1714 -2.0641 -2.0641 -1.8184 -1.8184 -1.3963 -1.3963 -1.3908 -1.3908 -1.0376 -1.0376 -1.0332 -1.0332 -1.0299 -1.0299 -0.5359 -0.5359 -0.5072 -0.5072 -0.4750 -0.4750 -0.4682 -0.4682 -0.3322 -0.3322 -0.3297 -0.3297 6.0733 6.0733 7.8823 7.8823 7.8946 7.8946 k = 0.1667 0.2345-0.0000 ( 7739 PWs) bands (ev): -20.9413 -20.9413 -20.4098 -20.4098 -18.7930 -18.7930 -18.7893 -18.7893 -18.6945 -18.6945 -18.1201 -18.1201 -17.9405 -17.9405 -17.9361 -17.9361 -12.3449 -12.3449 -12.3027 -12.3027 -9.1286 -9.1286 -7.9347 -7.9347 -7.0159 -7.0159 -7.0109 -7.0109 -6.8544 -6.8544 -5.0054 -5.0054 -4.9995 -4.9995 -4.8807 -4.8807 -4.1377 -4.1377 -3.6237 -3.6237 -3.5805 -3.5804 -3.5685 -3.5685 -3.0276 -3.0276 -2.6598 -2.6598 -2.1928 -2.1928 -2.1877 -2.1877 -2.1698 -2.1698 -2.0731 -2.0731 -1.8039 -1.8039 -1.3992 -1.3992 -1.3935 -1.3935 -1.0427 -1.0427 -1.0281 -1.0281 -1.0238 -1.0238 -0.5406 -0.5406 -0.5048 -0.5048 -0.4746 -0.4746 -0.4688 -0.4688 -0.3358 -0.3358 -0.3337 -0.3337 6.1237 6.1237 7.8685 7.8685 7.8802 7.8802 k = 0.1786 0.2513-0.0000 ( 7735 PWs) bands (ev): -20.9363 -20.9363 -20.4175 -20.4175 -18.7934 -18.7934 -18.7898 -18.7898 -18.6862 -18.6862 -18.1260 -18.1260 -17.9401 -17.9401 -17.9358 -17.9358 -12.3434 -12.3434 -12.3033 -12.3033 -9.1202 -9.1202 -7.9660 -7.9660 -7.0142 -7.0142 -7.0093 -7.0093 -6.8168 -6.8168 -5.0046 -5.0046 -4.9989 -4.9989 -4.9049 -4.9049 -4.1260 -4.1260 -3.6223 -3.6223 -3.5854 -3.5854 -3.5737 -3.5737 -3.0386 -3.0386 -2.6646 -2.6646 -2.1863 -2.1863 -2.1831 -2.1831 -2.1677 -2.1677 -2.0830 -2.0830 -1.7893 -1.7893 -1.4021 -1.4021 -1.3962 -1.3962 -1.0505 -1.0505 -1.0209 -1.0209 -1.0164 -1.0164 -0.5445 -0.5445 -0.5023 -0.5023 -0.4754 -0.4754 -0.4708 -0.4708 -0.3387 -0.3387 -0.3366 -0.3366 6.1765 6.1765 7.8535 7.8535 7.8647 7.8647 k = 0.1905 0.2680-0.0000 ( 7751 PWs) bands (ev): -20.9309 -20.9309 -20.4256 -20.4256 -18.7939 -18.7939 -18.7903 -18.7903 -18.6774 -18.6774 -18.1322 -18.1322 -17.9397 -17.9397 -17.9355 -17.9355 -12.3418 -12.3418 -12.3040 -12.3040 -9.1112 -9.1112 -7.9971 -7.9971 -7.0125 -7.0125 -7.0077 -7.0077 -6.7789 -6.7789 -5.0034 -5.0034 -4.9978 -4.9978 -4.9301 -4.9301 -4.1138 -4.1138 -3.6209 -3.6209 -3.5912 -3.5912 -3.5798 -3.5798 -3.0491 -3.0491 -2.6694 -2.6694 -2.1835 -2.1835 -2.1754 -2.1754 -2.1648 -2.1648 -2.0940 -2.0940 -1.7746 -1.7746 -1.4049 -1.4049 -1.3987 -1.3987 -1.0591 -1.0591 -1.0133 -1.0133 -1.0085 -1.0085 -0.5475 -0.5475 -0.5000 -0.5000 -0.4775 -0.4775 -0.4742 -0.4742 -0.3410 -0.3410 -0.3382 -0.3382 6.2314 6.2314 7.8375 7.8375 7.8480 7.8480 k = 0.2024 0.2848-0.0000 ( 7751 PWs) bands (ev): -20.9253 -20.9253 -20.4341 -20.4341 -18.7943 -18.7943 -18.7909 -18.7909 -18.6683 -18.6683 -18.1387 -18.1387 -17.9393 -17.9393 -17.9351 -17.9351 -12.3402 -12.3402 -12.3046 -12.3046 -9.1017 -9.1017 -8.0281 -8.0281 -7.0107 -7.0107 -7.0061 -7.0061 -6.7407 -6.7407 -5.0018 -5.0018 -4.9963 -4.9963 -4.9563 -4.9563 -4.1012 -4.1012 -3.6196 -3.6196 -3.5979 -3.5979 -3.5869 -3.5869 -3.0588 -3.0588 -2.6740 -2.6740 -2.1806 -2.1806 -2.1691 -2.1691 -2.1603 -2.1603 -2.1061 -2.1061 -1.7599 -1.7599 -1.4074 -1.4074 -1.4010 -1.4010 -1.0682 -1.0682 -1.0053 -1.0053 -1.0003 -1.0003 -0.5495 -0.5495 -0.4981 -0.4981 -0.4809 -0.4809 -0.4786 -0.4786 -0.3423 -0.3423 -0.3387 -0.3387 6.2882 6.2882 7.8205 7.8205 7.8304 7.8304 k = 0.2143 0.3016-0.0000 ( 7735 PWs) bands (ev): -20.9193 -20.9193 -20.4430 -20.4430 -18.7948 -18.7948 -18.7914 -18.7914 -18.6588 -18.6588 -18.1456 -18.1456 -17.9388 -17.9388 -17.9348 -17.9348 -12.3386 -12.3386 -12.3053 -12.3053 -9.0915 -9.0915 -8.0587 -8.0587 -7.0090 -7.0090 -7.0045 -7.0045 -6.7023 -6.7023 -4.9998 -4.9998 -4.9945 -4.9945 -4.9832 -4.9832 -4.0882 -4.0882 -3.6185 -3.6185 -3.6056 -3.6056 -3.5950 -3.5950 -3.0677 -3.0677 -2.6784 -2.6784 -2.1775 -2.1775 -2.1645 -2.1645 -2.1545 -2.1545 -2.1190 -2.1190 -1.7452 -1.7452 -1.4096 -1.4096 -1.4030 -1.4030 -1.0779 -1.0779 -0.9971 -0.9971 -0.9918 -0.9918 -0.5505 -0.5505 -0.4971 -0.4971 -0.4854 -0.4854 -0.4833 -0.4833 -0.3428 -0.3428 -0.3383 -0.3383 6.3465 6.3465 7.8026 7.8026 7.8119 7.8119 k = 0.2262 0.3183-0.0000 ( 7719 PWs) bands (ev): -20.9130 -20.9130 -20.4521 -20.4521 -18.7953 -18.7953 -18.7920 -18.7920 -18.6490 -18.6490 -18.1528 -18.1528 -17.9383 -17.9383 -17.9344 -17.9344 -12.3371 -12.3371 -12.3060 -12.3060 -9.0808 -9.0808 -8.0891 -8.0891 -7.0073 -7.0073 -7.0029 -7.0029 -6.6638 -6.6638 -5.0122 -5.0122 -4.9967 -4.9967 -4.9915 -4.9915 -4.0750 -4.0750 -3.6182 -3.6182 -3.6137 -3.6137 -3.6039 -3.6039 -3.0757 -3.0757 -2.6825 -2.6825 -2.1746 -2.1746 -2.1605 -2.1605 -2.1483 -2.1483 -2.1325 -2.1325 -1.7305 -1.7305 -1.4114 -1.4114 -1.4047 -1.4047 -1.0881 -1.0881 -0.9889 -0.9889 -0.9834 -0.9834 -0.5504 -0.5504 -0.4989 -0.4988 -0.4912 -0.4912 -0.4858 -0.4858 -0.3426 -0.3426 -0.3373 -0.3373 6.4061 6.4061 7.7839 7.7839 7.7927 7.7927 k = 0.2381 0.3351-0.0000 ( 7707 PWs) bands (ev): -20.9065 -20.9065 -20.4616 -20.4616 -18.7957 -18.7957 -18.7926 -18.7926 -18.6389 -18.6388 -18.1602 -18.1602 -17.9378 -17.9378 -17.9341 -17.9341 -12.3357 -12.3357 -12.3067 -12.3067 -9.0694 -9.0694 -8.1192 -8.1192 -7.0056 -7.0056 -7.0013 -7.0013 -6.6251 -6.6251 -5.0408 -5.0408 -4.9937 -4.9937 -4.9886 -4.9886 -4.0614 -4.0614 -3.6246 -3.6246 -3.6176 -3.6176 -3.6126 -3.6126 -3.0826 -3.0826 -2.6865 -2.6865 -2.1728 -2.1728 -2.1567 -2.1567 -2.1454 -2.1454 -2.1425 -2.1425 -1.7158 -1.7158 -1.4128 -1.4128 -1.4059 -1.4059 -1.0989 -1.0989 -0.9809 -0.9809 -0.9750 -0.9750 -0.5493 -0.5493 -0.5040 -0.5040 -0.4979 -0.4979 -0.4854 -0.4854 -0.3418 -0.3418 -0.3358 -0.3358 6.4668 6.4668 7.7647 7.7647 7.7729 7.7729 k = 0.2500 0.3518-0.0000 ( 7719 PWs) bands (ev): -20.8997 -20.8997 -20.4713 -20.4713 -18.7962 -18.7962 -18.7932 -18.7932 -18.6284 -18.6284 -18.1680 -18.1680 -17.9374 -17.9374 -17.9337 -17.9337 -12.3342 -12.3342 -12.3075 -12.3075 -9.0575 -9.0575 -8.1490 -8.1490 -7.0039 -7.0039 -6.9998 -6.9998 -6.5862 -6.5862 -5.0703 -5.0703 -4.9900 -4.9900 -4.9851 -4.9851 -4.0477 -4.0477 -3.6350 -3.6350 -3.6260 -3.6260 -3.6150 -3.6150 -3.0884 -3.0884 -2.6903 -2.6903 -2.1765 -2.1764 -2.1536 -2.1536 -2.1525 -2.1525 -2.1374 -2.1374 -1.7012 -1.7012 -1.4136 -1.4136 -1.4065 -1.4065 -1.1101 -1.1101 -0.9732 -0.9732 -0.9670 -0.9670 -0.5472 -0.5472 -0.5109 -0.5109 -0.5049 -0.5049 -0.4837 -0.4837 -0.3406 -0.3406 -0.3340 -0.3340 6.5283 6.5283 7.7450 7.7450 7.7527 7.7527 k = 0.2619 0.3686-0.0000 ( 7728 PWs) bands (ev): -20.8925 -20.8925 -20.4813 -20.4813 -18.7967 -18.7967 -18.7938 -18.7938 -18.6177 -18.6177 -18.1760 -18.1760 -17.9369 -17.9369 -17.9334 -17.9334 -12.3329 -12.3329 -12.3082 -12.3082 -9.0450 -9.0450 -8.1785 -8.1785 -7.0023 -7.0023 -6.9983 -6.9983 -6.5473 -6.5473 -5.1004 -5.1004 -4.9858 -4.9858 -4.9810 -4.9810 -4.0339 -4.0339 -3.6464 -3.6464 -3.6377 -3.6377 -3.6154 -3.6154 -3.0929 -3.0929 -2.6939 -2.6939 -2.1885 -2.1885 -2.1533 -2.1533 -2.1487 -2.1487 -2.1330 -2.1330 -1.6867 -1.6867 -1.4138 -1.4138 -1.4066 -1.4066 -1.1219 -1.1219 -0.9660 -0.9660 -0.9595 -0.9595 -0.5443 -0.5443 -0.5182 -0.5182 -0.5119 -0.5119 -0.4815 -0.4815 -0.3392 -0.3392 -0.3321 -0.3321 6.5903 6.5903 7.7251 7.7251 7.7322 7.7322 k = 0.2738 0.3853-0.0000 ( 7732 PWs) bands (ev): -20.8852 -20.8852 -20.4915 -20.4915 -18.7972 -18.7972 -18.7944 -18.7944 -18.6068 -18.6068 -18.1843 -18.1843 -17.9364 -17.9364 -17.9330 -17.9330 -12.3316 -12.3316 -12.3090 -12.3090 -9.0320 -9.0320 -8.2076 -8.2076 -7.0007 -7.0007 -6.9969 -6.9969 -6.5083 -6.5083 -5.1312 -5.1312 -4.9811 -4.9811 -4.9765 -4.9765 -4.0199 -4.0199 -3.6587 -3.6587 -3.6503 -3.6503 -3.6161 -3.6161 -3.0963 -3.0963 -2.6974 -2.6974 -2.2041 -2.2041 -2.1497 -2.1497 -2.1446 -2.1446 -2.1294 -2.1294 -1.6724 -1.6724 -1.4133 -1.4133 -1.4061 -1.4061 -1.1341 -1.1341 -0.9596 -0.9596 -0.9528 -0.9528 -0.5408 -0.5408 -0.5253 -0.5253 -0.5186 -0.5186 -0.4791 -0.4791 -0.3378 -0.3378 -0.3304 -0.3303 6.6527 6.6527 7.7050 7.7050 7.7115 7.7115 k = 0.2857 0.4021-0.0000 ( 7736 PWs) bands (ev): -20.8775 -20.8775 -20.5020 -20.5020 -18.7977 -18.7977 -18.7950 -18.7950 -18.5956 -18.5956 -18.1929 -18.1929 -17.9359 -17.9359 -17.9327 -17.9327 -12.3304 -12.3304 -12.3097 -12.3097 -9.0184 -9.0184 -8.2363 -8.2363 -6.9992 -6.9992 -6.9956 -6.9956 -6.4693 -6.4693 -5.1625 -5.1625 -4.9758 -4.9758 -4.9714 -4.9714 -4.0058 -4.0058 -3.6718 -3.6717 -3.6638 -3.6637 -3.6173 -3.6173 -3.0982 -3.0982 -2.7010 -2.7010 -2.2207 -2.2207 -2.1450 -2.1450 -2.1407 -2.1407 -2.1265 -2.1265 -1.6581 -1.6581 -1.4122 -1.4122 -1.4049 -1.4049 -1.1468 -1.1468 -0.9541 -0.9541 -0.9470 -0.9470 -0.5375 -0.5375 -0.5310 -0.5310 -0.5246 -0.5245 -0.4766 -0.4766 -0.3364 -0.3364 -0.3287 -0.3287 6.7152 6.7152 7.6849 7.6849 7.6910 7.6910 k = 0.2976 0.4188-0.0000 ( 7752 PWs) bands (ev): -20.8696 -20.8696 -20.5126 -20.5126 -18.7981 -18.7981 -18.7956 -18.7956 -18.5843 -18.5843 -18.2017 -18.2017 -17.9354 -17.9354 -17.9324 -17.9324 -12.3293 -12.3293 -12.3105 -12.3105 -9.0042 -9.0042 -8.2647 -8.2647 -6.9978 -6.9978 -6.9943 -6.9943 -6.4302 -6.4302 -5.1942 -5.1942 -4.9701 -4.9701 -4.9659 -4.9659 -3.9918 -3.9918 -3.6854 -3.6854 -3.6779 -3.6778 -3.6191 -3.6191 -3.0988 -3.0988 -2.7047 -2.7047 -2.2373 -2.2373 -2.1399 -2.1399 -2.1374 -2.1374 -2.1240 -2.1240 -1.6439 -1.6439 -1.4104 -1.4104 -1.4031 -1.4031 -1.1598 -1.1598 -0.9497 -0.9497 -0.9423 -0.9423 -0.5394 -0.5394 -0.5324 -0.5324 -0.5275 -0.5275 -0.4741 -0.4741 -0.3353 -0.3353 -0.3274 -0.3274 6.7776 6.7776 7.6651 7.6651 7.6707 7.6707 k = 0.3095 0.4356-0.0000 ( 7740 PWs) bands (ev): -20.8614 -20.8614 -20.5234 -20.5234 -18.7986 -18.7986 -18.7962 -18.7962 -18.5728 -18.5728 -18.2107 -18.2107 -17.9350 -17.9350 -17.9321 -17.9321 -12.3283 -12.3283 -12.3113 -12.3113 -8.9895 -8.9895 -8.2927 -8.2927 -6.9965 -6.9965 -6.9931 -6.9931 -6.3911 -6.3911 -5.2264 -5.2264 -4.9640 -4.9640 -4.9599 -4.9599 -3.9777 -3.9777 -3.6996 -3.6996 -3.6925 -3.6925 -3.6216 -3.6216 -3.0980 -3.0980 -2.7087 -2.7087 -2.2535 -2.2535 -2.1352 -2.1352 -2.1344 -2.1344 -2.1214 -2.1214 -1.6298 -1.6298 -1.4079 -1.4079 -1.4006 -1.4006 -1.1733 -1.1733 -0.9466 -0.9466 -0.9389 -0.9389 -0.5437 -0.5437 -0.5357 -0.5356 -0.5235 -0.5235 -0.4716 -0.4716 -0.3344 -0.3344 -0.3264 -0.3264 6.8397 6.8397 7.6456 7.6456 7.6507 7.6507 k = 0.3214 0.4523-0.0000 ( 7720 PWs) bands (ev): -20.8530 -20.8530 -20.5343 -20.5343 -18.7990 -18.7990 -18.7967 -18.7967 -18.5611 -18.5611 -18.2200 -18.2200 -17.9345 -17.9345 -17.9318 -17.9318 -12.3273 -12.3273 -12.3120 -12.3120 -8.9743 -8.9743 -8.3204 -8.3204 -6.9952 -6.9952 -6.9920 -6.9920 -6.3520 -6.3520 -5.2590 -5.2590 -4.9575 -4.9575 -4.9536 -4.9536 -3.9636 -3.9636 -3.7142 -3.7142 -3.7075 -3.7075 -3.6249 -3.6249 -3.0958 -3.0958 -2.7133 -2.7133 -2.2688 -2.2688 -2.1346 -2.1345 -2.1291 -2.1291 -2.1182 -2.1182 -1.6158 -1.6158 -1.4047 -1.4047 -1.3973 -1.3973 -1.1870 -1.1870 -0.9449 -0.9449 -0.9369 -0.9369 -0.5471 -0.5471 -0.5387 -0.5387 -0.5179 -0.5179 -0.4691 -0.4691 -0.3339 -0.3339 -0.3258 -0.3258 6.9012 6.9012 7.6266 7.6266 7.6313 7.6313 k = 0.3333 0.4691-0.0000 ( 7716 PWs) bands (ev): -20.8444 -20.8444 -20.5453 -20.5453 -18.7994 -18.7994 -18.7973 -18.7973 -18.5493 -18.5493 -18.2295 -18.2295 -17.9340 -17.9340 -17.9315 -17.9315 -12.3265 -12.3265 -12.3128 -12.3128 -8.9585 -8.9585 -8.3476 -8.3476 -6.9940 -6.9940 -6.9910 -6.9910 -6.3130 -6.3130 -5.2919 -5.2919 -4.9506 -4.9506 -4.9469 -4.9469 -3.9495 -3.9495 -3.7290 -3.7290 -3.7227 -3.7227 -3.6288 -3.6288 -3.0922 -3.0922 -2.7187 -2.7187 -2.2827 -2.2827 -2.1357 -2.1357 -2.1236 -2.1236 -2.1145 -2.1145 -1.6019 -1.6019 -1.4008 -1.4008 -1.3935 -1.3935 -1.2012 -1.2012 -0.9446 -0.9446 -0.9365 -0.9365 -0.5492 -0.5492 -0.5405 -0.5405 -0.5117 -0.5117 -0.4666 -0.4666 -0.3337 -0.3337 -0.3257 -0.3257 6.9620 6.9620 7.6082 7.6082 7.6125 7.6125 k = 0.3452 0.4858-0.0000 ( 7700 PWs) bands (ev): -20.8355 -20.8355 -20.5565 -20.5565 -18.7998 -18.7998 -18.7978 -18.7978 -18.5374 -18.5374 -18.2392 -18.2392 -17.9336 -17.9336 -17.9312 -17.9312 -12.3257 -12.3257 -12.3135 -12.3135 -8.9423 -8.9423 -8.3745 -8.3745 -6.9929 -6.9929 -6.9901 -6.9901 -6.2741 -6.2741 -5.3252 -5.3252 -4.9436 -4.9435 -4.9401 -4.9401 -3.9355 -3.9355 -3.7439 -3.7439 -3.7380 -3.7380 -3.6336 -3.6336 -3.0872 -3.0872 -2.7251 -2.7251 -2.2950 -2.2950 -2.1385 -2.1385 -2.1183 -2.1183 -2.1104 -2.1104 -1.5881 -1.5881 -1.3962 -1.3962 -1.3890 -1.3890 -1.2155 -1.2155 -0.9458 -0.9458 -0.9377 -0.9377 -0.5499 -0.5499 -0.5411 -0.5411 -0.5054 -0.5054 -0.4641 -0.4641 -0.3340 -0.3340 -0.3261 -0.3260 7.0219 7.0219 7.5905 7.5905 7.5944 7.5944 k = 0.3571 0.5026-0.0000 ( 7700 PWs) bands (ev): -20.8264 -20.8264 -20.5677 -20.5677 -18.8001 -18.8001 -18.7983 -18.7983 -18.5254 -18.5254 -18.2491 -18.2491 -17.9332 -17.9332 -17.9309 -17.9309 -12.3250 -12.3250 -12.3142 -12.3142 -8.9255 -8.9255 -8.4010 -8.4010 -6.9918 -6.9918 -6.9892 -6.9892 -6.2352 -6.2352 -5.3588 -5.3588 -4.9363 -4.9363 -4.9330 -4.9330 -3.9216 -3.9216 -3.7587 -3.7587 -3.7533 -3.7533 -3.6392 -3.6392 -3.0808 -3.0808 -2.7327 -2.7327 -2.3052 -2.3052 -2.1426 -2.1426 -2.1131 -2.1131 -2.1063 -2.1063 -1.5743 -1.5743 -1.3911 -1.3911 -1.3840 -1.3840 -1.2301 -1.2301 -0.9484 -0.9484 -0.9403 -0.9403 -0.5492 -0.5491 -0.5403 -0.5403 -0.4991 -0.4991 -0.4617 -0.4617 -0.3348 -0.3348 -0.3269 -0.3269 7.0807 7.0807 7.5737 7.5737 7.5773 7.5773 k = 0.3690 0.5193-0.0000 ( 7700 PWs) bands (ev): -20.8172 -20.8172 -20.5790 -20.5790 -18.8005 -18.8005 -18.7988 -18.7988 -18.5134 -18.5134 -18.2592 -18.2592 -17.9328 -17.9328 -17.9307 -17.9307 -12.3243 -12.3243 -12.3149 -12.3149 -8.9083 -8.9083 -8.4272 -8.4272 -6.9909 -6.9909 -6.9885 -6.9885 -6.1965 -6.1965 -5.3926 -5.3926 -4.9290 -4.9290 -4.9260 -4.9260 -3.9077 -3.9077 -3.7732 -3.7732 -3.7683 -3.7683 -3.6456 -3.6456 -3.0730 -3.0730 -2.7417 -2.7417 -2.3131 -2.3131 -2.1479 -2.1479 -2.1082 -2.1082 -2.1022 -2.1022 -1.5607 -1.5607 -1.3855 -1.3855 -1.3786 -1.3786 -1.2449 -1.2449 -0.9522 -0.9522 -0.9443 -0.9443 -0.5470 -0.5470 -0.5382 -0.5382 -0.4929 -0.4929 -0.4594 -0.4594 -0.3360 -0.3360 -0.3282 -0.3282 7.1384 7.1384 7.5579 7.5579 7.5611 7.5611 k = 0.3810 0.5361-0.0000 ( 7692 PWs) bands (ev): -20.8077 -20.8077 -20.5904 -20.5904 -18.8008 -18.8008 -18.7992 -18.7992 -18.5012 -18.5012 -18.2695 -18.2695 -17.9324 -17.9324 -17.9305 -17.9305 -12.3238 -12.3238 -12.3155 -12.3155 -8.8906 -8.8906 -8.4529 -8.4529 -6.9900 -6.9900 -6.9878 -6.9878 -6.1578 -6.1578 -5.4268 -5.4268 -4.9217 -4.9217 -4.9189 -4.9189 -3.8939 -3.8939 -3.7873 -3.7873 -3.7828 -3.7828 -3.6528 -3.6528 -3.0639 -3.0639 -2.7523 -2.7523 -2.3186 -2.3186 -2.1544 -2.1544 -2.1035 -2.1035 -2.0982 -2.0982 -1.5470 -1.5470 -1.3795 -1.3795 -1.3728 -1.3728 -1.2598 -1.2598 -0.9572 -0.9572 -0.9495 -0.9495 -0.5437 -0.5437 -0.5351 -0.5351 -0.4868 -0.4868 -0.4572 -0.4572 -0.3376 -0.3376 -0.3300 -0.3300 7.1948 7.1948 7.5432 7.5432 7.5460 7.5460 k = 0.3929 0.5528-0.0000 ( 7696 PWs) bands (ev): -20.7980 -20.7980 -20.6018 -20.6018 -18.8011 -18.8011 -18.7997 -18.7997 -18.4891 -18.4891 -18.2800 -18.2800 -17.9320 -17.9320 -17.9303 -17.9303 -12.3233 -12.3233 -12.3161 -12.3161 -8.8725 -8.8725 -8.4783 -8.4783 -6.9892 -6.9892 -6.9873 -6.9873 -6.1193 -6.1193 -5.4611 -5.4611 -4.9146 -4.9146 -4.9121 -4.9121 -3.8801 -3.8801 -3.8008 -3.8008 -3.7968 -3.7968 -3.6608 -3.6608 -3.0536 -3.0536 -2.7644 -2.7644 -2.3215 -2.3215 -2.1620 -2.1620 -2.0991 -2.0991 -2.0945 -2.0945 -1.5334 -1.5334 -1.3732 -1.3732 -1.3667 -1.3667 -1.2747 -1.2747 -0.9629 -0.9629 -0.9556 -0.9556 -0.5394 -0.5394 -0.5310 -0.5310 -0.4811 -0.4811 -0.4551 -0.4551 -0.3395 -0.3395 -0.3323 -0.3322 7.2498 7.2498 7.5296 7.5296 7.5321 7.5321 k = 0.4048 0.5696-0.0000 ( 7700 PWs) bands (ev): -20.7881 -20.7881 -20.6132 -20.6132 -18.8013 -18.8013 -18.8001 -18.8001 -18.4770 -18.4770 -18.2906 -18.2906 -17.9317 -17.9317 -17.9302 -17.9302 -12.3228 -12.3228 -12.3167 -12.3167 -8.8539 -8.8539 -8.5034 -8.5034 -6.9885 -6.9885 -6.9868 -6.9868 -6.0810 -6.0810 -5.4958 -5.4958 -4.9078 -4.9078 -4.9055 -4.9055 -3.8665 -3.8664 -3.8134 -3.8134 -3.8099 -3.8099 -3.6695 -3.6695 -3.0421 -3.0421 -2.7779 -2.7779 -2.3219 -2.3219 -2.1705 -2.1705 -2.0951 -2.0951 -2.0911 -2.0911 -1.5198 -1.5198 -1.3667 -1.3667 -1.3606 -1.3606 -1.2897 -1.2897 -0.9693 -0.9693 -0.9624 -0.9624 -0.5344 -0.5344 -0.5263 -0.5263 -0.4757 -0.4757 -0.4532 -0.4532 -0.3418 -0.3418 -0.3349 -0.3349 7.3034 7.3034 7.5173 7.5173 7.5194 7.5194 k = 0.4167 0.5864-0.0000 ( 7692 PWs) bands (ev): -20.7781 -20.7781 -20.6246 -20.6246 -18.8015 -18.8015 -18.8004 -18.8004 -18.4648 -18.4648 -18.3014 -18.3014 -17.9314 -17.9314 -17.9300 -17.9300 -12.3224 -12.3224 -12.3173 -12.3173 -8.8349 -8.8349 -8.5280 -8.5280 -6.9879 -6.9879 -6.9864 -6.9864 -6.0428 -6.0428 -5.5306 -5.5306 -4.9014 -4.9014 -4.8993 -4.8993 -3.8530 -3.8530 -3.8250 -3.8250 -3.8220 -3.8220 -3.6788 -3.6788 -3.0294 -3.0294 -2.7928 -2.7928 -2.3199 -2.3199 -2.1799 -2.1799 -2.0915 -2.0915 -2.0881 -2.0881 -1.5062 -1.5062 -1.3604 -1.3604 -1.3545 -1.3545 -1.3047 -1.3047 -0.9759 -0.9759 -0.9695 -0.9695 -0.5288 -0.5288 -0.5213 -0.5213 -0.4707 -0.4707 -0.4515 -0.4515 -0.3442 -0.3442 -0.3378 -0.3378 7.3554 7.3554 7.5063 7.5063 7.5081 7.5081 k = 0.4286 0.6031-0.0000 ( 7692 PWs) bands (ev): -20.7679 -20.7679 -20.6361 -20.6361 -18.8017 -18.8017 -18.8008 -18.8008 -18.4527 -18.4527 -18.3123 -18.3123 -17.9311 -17.9311 -17.9299 -17.9299 -12.3221 -12.3221 -12.3178 -12.3178 -8.8154 -8.8154 -8.5523 -8.5523 -6.9874 -6.9874 -6.9860 -6.9860 -6.0048 -6.0048 -5.5657 -5.5657 -4.8955 -4.8955 -4.8937 -4.8937 -3.8413 -3.8413 -3.8343 -3.8343 -3.8323 -3.8323 -3.6888 -3.6888 -3.0157 -3.0157 -2.8088 -2.8088 -2.3157 -2.3157 -2.1900 -2.1900 -2.0882 -2.0882 -2.0854 -2.0854 -1.4925 -1.4925 -1.3543 -1.3543 -1.3487 -1.3487 -1.3194 -1.3194 -0.9824 -0.9824 -0.9767 -0.9767 -0.5231 -0.5231 -0.5161 -0.5161 -0.4661 -0.4661 -0.4501 -0.4501 -0.3468 -0.3468 -0.3408 -0.3408 7.4059 7.4059 7.4967 7.4967 7.4981 7.4981 k = 0.4405 0.6199-0.0000 ( 7692 PWs) bands (ev): -20.7575 -20.7575 -20.6475 -20.6475 -18.8018 -18.8018 -18.8011 -18.8011 -18.4405 -18.4405 -18.3234 -18.3234 -17.9308 -17.9308 -17.9299 -17.9298 -12.3217 -12.3217 -12.3183 -12.3183 -8.7956 -8.7956 -8.5763 -8.5763 -6.9869 -6.9869 -6.9858 -6.9858 -5.9670 -5.9670 -5.6011 -5.6011 -4.8902 -4.8902 -4.8887 -4.8887 -3.8457 -3.8457 -3.8429 -3.8429 -3.8246 -3.8246 -3.6994 -3.6994 -3.0011 -3.0011 -2.8258 -2.8258 -2.3096 -2.3096 -2.2009 -2.2009 -2.0855 -2.0855 -2.0831 -2.0831 -1.4788 -1.4788 -1.3494 -1.3494 -1.3435 -1.3435 -1.3332 -1.3331 -0.9885 -0.9885 -0.9836 -0.9836 -0.5173 -0.5173 -0.5111 -0.5111 -0.4620 -0.4620 -0.4490 -0.4490 -0.3493 -0.3493 -0.3440 -0.3440 7.4545 7.4545 7.4887 7.4887 7.4896 7.4896 k = 0.4524 0.6366-0.0000 ( 7712 PWs) bands (ev): -20.7470 -20.7470 -20.6588 -20.6588 -18.8019 -18.8019 -18.8013 -18.8013 -18.4285 -18.4285 -18.3347 -18.3347 -17.9306 -17.9306 -17.9298 -17.9298 -12.3214 -12.3214 -12.3187 -12.3187 -8.7753 -8.7753 -8.5998 -8.5998 -6.9865 -6.9865 -6.9856 -6.9856 -5.9294 -5.9294 -5.6366 -5.6366 -4.8857 -4.8857 -4.8844 -4.8844 -3.8531 -3.8531 -3.8511 -3.8511 -3.8115 -3.8115 -3.7105 -3.7105 -2.9855 -2.9855 -2.8434 -2.8434 -2.3019 -2.3019 -2.2123 -2.2123 -2.0831 -2.0831 -2.0813 -2.0813 -1.4650 -1.4650 -1.3527 -1.3527 -1.3402 -1.3402 -1.3379 -1.3379 -0.9940 -0.9940 -0.9899 -0.9899 -0.5119 -0.5119 -0.5066 -0.5066 -0.4585 -0.4585 -0.4483 -0.4483 -0.3516 -0.3516 -0.3471 -0.3471 7.4806 7.4806 7.4825 7.4825 7.5033 7.5033 k = 0.4643 0.6534-0.0000 ( 7728 PWs) bands (ev): -20.7364 -20.7364 -20.6702 -20.6702 -18.8020 -18.8020 -18.8015 -18.8015 -18.4165 -18.4165 -18.3460 -18.3460 -17.9304 -17.9304 -17.9298 -17.9298 -12.3211 -12.3211 -12.3191 -12.3191 -8.7547 -8.7547 -8.6231 -8.6231 -6.9861 -6.9861 -6.9855 -6.9855 -5.8920 -5.8920 -5.6724 -5.6724 -4.8820 -4.8820 -4.8811 -4.8811 -3.8592 -3.8592 -3.8576 -3.8576 -3.7982 -3.7982 -3.7221 -3.7221 -2.9692 -2.9692 -2.8615 -2.8615 -2.2928 -2.2928 -2.2240 -2.2240 -2.0813 -2.0813 -2.0799 -2.0799 -1.4512 -1.4512 -1.3659 -1.3659 -1.3369 -1.3369 -1.3346 -1.3346 -0.9984 -0.9984 -0.9953 -0.9952 -0.5072 -0.5072 -0.5030 -0.5030 -0.4554 -0.4554 -0.4479 -0.4479 -0.3535 -0.3535 -0.3500 -0.3500 7.4759 7.4759 7.4769 7.4769 7.5487 7.5487 k = 0.4762 0.6701-0.0000 ( 7724 PWs) bands (ev): -20.7256 -20.7256 -20.6814 -20.6814 -18.8020 -18.8020 -18.8017 -18.8017 -18.4045 -18.4045 -18.3575 -18.3575 -17.9302 -17.9302 -17.9298 -17.9298 -12.3208 -12.3208 -12.3195 -12.3195 -8.7337 -8.7337 -8.6459 -8.6459 -6.9859 -6.9859 -6.9854 -6.9854 -5.8549 -5.8549 -5.7085 -5.7085 -4.8793 -4.8793 -4.8786 -4.8786 -3.8635 -3.8635 -3.8625 -3.8625 -3.7850 -3.7850 -3.7341 -3.7341 -2.9522 -2.9522 -2.8799 -2.8799 -2.2826 -2.2826 -2.2360 -2.2360 -2.0798 -2.0798 -2.0789 -2.0789 -1.4372 -1.4372 -1.3802 -1.3802 -1.3336 -1.3336 -1.3319 -1.3319 -1.0016 -1.0016 -0.9995 -0.9995 -0.5033 -0.5033 -0.5004 -0.5004 -0.4529 -0.4529 -0.4479 -0.4479 -0.3548 -0.3548 -0.3524 -0.3524 7.4722 7.4722 7.4729 7.4729 7.5930 7.5930 k = 0.4881 0.6869-0.0000 ( 7712 PWs) bands (ev): -20.7147 -20.7147 -20.6926 -20.6926 -18.8020 -18.8020 -18.8018 -18.8018 -18.3926 -18.3926 -18.3691 -18.3691 -17.9301 -17.9301 -17.9299 -17.9299 -12.3205 -12.3205 -12.3198 -12.3198 -8.7123 -8.7123 -8.6684 -8.6684 -6.9856 -6.9856 -6.9854 -6.9854 -5.8179 -5.8179 -5.7447 -5.7447 -4.8775 -4.8775 -4.8772 -4.8772 -3.8660 -3.8660 -3.8655 -3.8655 -3.7719 -3.7719 -3.7465 -3.7464 -2.9346 -2.9346 -2.8983 -2.8983 -2.2716 -2.2716 -2.2481 -2.2481 -2.0789 -2.0789 -2.0784 -2.0784 -1.4231 -1.4231 -1.3946 -1.3946 -1.3313 -1.3313 -1.3304 -1.3304 -1.0034 -1.0034 -1.0023 -1.0023 -0.5005 -0.5005 -0.4990 -0.4990 -0.4509 -0.4509 -0.4484 -0.4484 -0.3554 -0.3554 -0.3542 -0.3542 7.4701 7.4701 7.4704 7.4704 7.6359 7.6359 k = 0.5000 0.7036-0.0000 ( 7712 PWs) bands (ev): -20.7037 -20.7037 -20.7037 -20.7037 -18.8019 -18.8019 -18.8019 -18.8019 -18.3808 -18.3808 -18.3808 -18.3808 -17.9299 -17.9299 -17.9299 -17.9299 -12.3202 -12.3202 -12.3202 -12.3202 -8.6905 -8.6905 -8.6905 -8.6905 -6.9855 -6.9855 -6.9855 -6.9855 -5.7812 -5.7812 -5.7812 -5.7812 -4.8768 -4.8768 -4.8768 -4.8768 -3.8667 -3.8667 -3.8667 -3.8667 -3.7591 -3.7591 -3.7591 -3.7591 -2.9166 -2.9166 -2.9166 -2.9166 -2.2600 -2.2600 -2.2600 -2.2600 -2.0784 -2.0784 -2.0784 -2.0784 -1.4089 -1.4089 -1.4089 -1.4089 -1.3302 -1.3302 -1.3302 -1.3302 -1.0037 -1.0037 -1.0037 -1.0037 -0.4991 -0.4991 -0.4991 -0.4991 -0.4494 -0.4494 -0.4494 -0.4494 -0.3552 -0.3552 -0.3552 -0.3552 7.4694 7.4694 7.4694 7.4694 7.6775 7.6775 k = 0.5000 0.7036-0.0000 ( 7712 PWs) bands (ev): -20.7037 -20.7037 -20.7037 -20.7037 -18.8019 -18.8019 -18.8019 -18.8019 -18.3808 -18.3808 -18.3808 -18.3808 -17.9299 -17.9299 -17.9299 -17.9299 -12.3202 -12.3202 -12.3202 -12.3202 -8.6905 -8.6905 -8.6905 -8.6905 -6.9855 -6.9855 -6.9855 -6.9855 -5.7812 -5.7812 -5.7812 -5.7812 -4.8768 -4.8768 -4.8768 -4.8768 -3.8667 -3.8667 -3.8667 -3.8667 -3.7591 -3.7591 -3.7591 -3.7591 -2.9166 -2.9166 -2.9166 -2.9166 -2.2600 -2.2600 -2.2600 -2.2600 -2.0784 -2.0784 -2.0784 -2.0784 -1.4089 -1.4089 -1.4089 -1.4089 -1.3302 -1.3302 -1.3302 -1.3302 -1.0037 -1.0037 -1.0037 -1.0037 -0.4991 -0.4991 -0.4991 -0.4991 -0.4494 -0.4494 -0.4494 -0.4494 -0.3552 -0.3552 -0.3552 -0.3552 7.4694 7.4694 7.4694 7.4694 7.6775 7.6775 k = 0.4975 0.7054 0.0030 ( 7712 PWs) bands (ev): -20.7037 -20.7037 -20.7037 -20.7037 -18.8020 -18.8020 -18.8019 -18.8019 -18.3809 -18.3808 -18.3808 -18.3807 -17.9300 -17.9299 -17.9299 -17.9299 -12.3202 -12.3202 -12.3202 -12.3202 -8.6906 -8.6905 -8.6905 -8.6905 -6.9856 -6.9855 -6.9855 -6.9855 -5.7813 -5.7812 -5.7812 -5.7811 -4.8769 -4.8769 -4.8769 -4.8768 -3.8669 -3.8668 -3.8666 -3.8666 -3.7592 -3.7591 -3.7589 -3.7589 -2.9166 -2.9166 -2.9166 -2.9165 -2.2602 -2.2602 -2.2599 -2.2599 -2.0786 -2.0785 -2.0783 -2.0783 -1.4095 -1.4090 -1.4089 -1.4086 -1.3304 -1.3302 -1.3301 -1.3296 -1.0037 -1.0037 -1.0036 -1.0036 -0.4993 -0.4991 -0.4991 -0.4989 -0.4496 -0.4495 -0.4494 -0.4492 -0.3553 -0.3552 -0.3552 -0.3551 7.4693 7.4693 7.4695 7.4696 7.6774 7.6775 k = 0.4975 0.7054 0.0030 ( 7712 PWs) bands (ev): -20.7037 -20.7037 -20.7037 -20.7037 -18.8020 -18.8020 -18.8019 -18.8019 -18.3809 -18.3808 -18.3808 -18.3807 -17.9300 -17.9299 -17.9299 -17.9299 -12.3202 -12.3202 -12.3202 -12.3202 -8.6906 -8.6905 -8.6905 -8.6905 -6.9856 -6.9855 -6.9855 -6.9855 -5.7813 -5.7812 -5.7812 -5.7811 -4.8769 -4.8769 -4.8769 -4.8768 -3.8669 -3.8668 -3.8666 -3.8666 -3.7592 -3.7591 -3.7589 -3.7589 -2.9166 -2.9166 -2.9166 -2.9165 -2.2602 -2.2602 -2.2599 -2.2599 -2.0786 -2.0785 -2.0783 -2.0783 -1.4095 -1.4090 -1.4089 -1.4086 -1.3304 -1.3302 -1.3301 -1.3296 -1.0037 -1.0037 -1.0036 -1.0036 -0.4993 -0.4991 -0.4991 -0.4989 -0.4496 -0.4495 -0.4494 -0.4492 -0.3553 -0.3552 -0.3552 -0.3551 7.4693 7.4693 7.4695 7.4696 7.6775 7.6775 k = 0.4810 0.6995 0.0131 ( 7712 PWs) bands (ev): -20.7114 -20.7114 -20.6960 -20.6960 -18.8021 -18.8020 -18.8019 -18.8017 -18.3891 -18.3888 -18.3726 -18.3723 -17.9304 -17.9301 -17.9299 -17.9299 -12.3204 -12.3204 -12.3199 -12.3199 -8.7056 -8.7056 -8.6749 -8.6748 -6.9872 -6.9865 -6.9856 -6.9855 -5.8068 -5.8063 -5.7556 -5.7551 -4.8778 -4.8775 -4.8771 -4.8765 -3.8677 -3.8675 -3.8656 -3.8653 -3.7674 -3.7671 -3.7496 -3.7493 -2.9290 -2.9288 -2.9036 -2.9034 -2.2687 -2.2686 -2.2522 -2.2521 -2.0791 -2.0789 -2.0780 -2.0778 -1.4217 -1.4203 -1.4017 -1.4004 -1.3306 -1.3303 -1.3283 -1.3254 -1.0038 -1.0035 -1.0030 -1.0027 -0.5008 -0.4998 -0.4992 -0.4984 -0.4507 -0.4499 -0.4489 -0.4478 -0.3558 -0.3553 -0.3548 -0.3544 7.4675 7.4680 7.4711 7.4716 7.6499 7.6501 k = 0.4644 0.6936 0.0233 ( 7703 PWs) bands (ev): -20.7191 -20.7191 -20.6882 -20.6882 -18.8021 -18.8019 -18.8018 -18.8014 -18.3973 -18.3967 -18.3643 -18.3638 -17.9311 -17.9305 -17.9300 -17.9300 -12.3206 -12.3206 -12.3197 -12.3197 -8.7203 -8.7202 -8.6589 -8.6587 -6.9904 -6.9892 -6.9857 -6.9856 -5.8319 -5.8310 -5.7298 -5.7289 -4.8798 -4.8792 -4.8774 -4.8765 -3.8691 -3.8686 -3.8628 -3.8622 -3.7748 -3.7743 -3.7395 -3.7390 -2.9408 -2.9405 -2.8901 -2.8898 -2.2774 -2.2773 -2.2447 -2.2446 -2.0801 -2.0794 -2.0777 -2.0773 -1.4357 -1.4336 -1.3970 -1.3947 -1.3315 -1.3308 -1.3228 -1.3183 -1.0031 -1.0026 -1.0014 -1.0009 -0.5030 -0.5013 -0.5001 -0.4989 -0.4518 -0.4505 -0.4484 -0.4462 -0.3560 -0.3550 -0.3541 -0.3532 7.4639 7.4648 7.4752 7.4761 7.6240 7.6242 k = 0.4478 0.6878 0.0334 ( 7702 PWs) bands (ev): -20.7267 -20.7267 -20.6805 -20.6805 -18.8021 -18.8018 -18.8017 -18.8009 -18.4054 -18.4046 -18.3559 -18.3551 -17.9321 -17.9313 -17.9301 -17.9301 -12.3208 -12.3208 -12.3194 -12.3194 -8.7346 -8.7344 -8.6424 -8.6421 -6.9951 -6.9934 -6.9859 -6.9858 -5.8565 -5.8553 -5.7039 -5.7027 -4.8828 -4.8819 -4.8780 -4.8766 -3.8710 -3.8702 -3.8583 -3.8574 -3.7811 -3.7803 -3.7290 -3.7282 -2.9519 -2.9515 -2.8764 -2.8759 -2.2863 -2.2861 -2.2379 -2.2377 -2.0814 -2.0802 -2.0774 -2.0766 -1.4509 -1.4483 -1.3946 -1.3916 -1.3329 -1.3318 -1.3147 -1.3090 -1.0016 -1.0009 -0.9990 -0.9982 -0.5060 -0.5035 -0.5018 -0.5001 -0.4529 -0.4514 -0.4477 -0.4446 -0.3561 -0.3545 -0.3531 -0.3516 7.4575 7.4588 7.4817 7.4830 7.6008 7.6012 k = 0.4312 0.6819 0.0435 ( 7692 PWs) bands (ev): -20.7343 -20.7342 -20.6728 -20.6728 -18.8020 -18.8017 -18.8016 -18.8004 -18.4134 -18.4124 -18.3474 -18.3463 -17.9335 -17.9324 -17.9302 -17.9302 -12.3211 -12.3211 -12.3191 -12.3191 -8.7485 -8.7482 -8.6255 -8.6251 -7.0015 -6.9993 -6.9862 -6.9860 -5.8805 -5.8789 -5.6781 -5.6765 -4.8868 -4.8857 -4.8786 -4.8768 -3.8735 -3.8725 -3.8522 -3.8511 -3.7861 -3.7851 -3.7181 -3.7171 -2.9624 -2.9618 -2.8623 -2.8617 -2.2950 -2.2948 -2.2318 -2.2315 -2.0830 -2.0813 -2.0768 -2.0757 -1.4667 -1.4639 -1.3941 -1.3906 -1.3346 -1.3332 -1.3048 -1.2984 -0.9995 -0.9986 -0.9959 -0.9949 -0.5095 -0.5062 -0.5041 -0.5021 -0.4541 -0.4525 -0.4469 -0.4430 -0.3560 -0.3538 -0.3518 -0.3498 7.4475 7.4492 7.4904 7.4923 7.5817 7.5822 k = 0.4146 0.6761 0.0536 ( 7687 PWs) bands (ev): -20.7417 -20.7417 -20.6652 -20.6652 -18.8019 -18.8015 -18.8013 -18.7998 -18.4213 -18.4201 -18.3388 -18.3375 -17.9352 -17.9338 -17.9304 -17.9303 -12.3213 -12.3213 -12.3188 -12.3187 -8.7619 -8.7616 -8.6082 -8.6077 -7.0093 -7.0067 -6.9865 -6.9863 -5.9038 -5.9019 -5.6526 -5.6506 -4.8916 -4.8903 -4.8795 -4.8772 -3.8766 -3.8754 -3.8447 -3.8432 -3.7899 -3.7885 -3.7069 -3.7058 -2.9720 -2.9714 -2.8481 -2.8474 -2.3036 -2.3033 -2.2266 -2.2262 -2.0850 -2.0828 -2.0760 -2.0745 -1.4830 -1.4800 -1.3950 -1.3911 -1.3368 -1.3351 -1.2938 -1.2870 -0.9968 -0.9957 -0.9920 -0.9908 -0.5135 -0.5094 -0.5070 -0.5046 -0.4556 -0.4538 -0.4461 -0.4414 -0.3558 -0.3529 -0.3503 -0.3476 7.4329 7.4348 7.5009 7.5036 7.5681 7.5688 k = 0.3980 0.6702 0.0637 ( 7697 PWs) bands (ev): -20.7490 -20.7490 -20.6576 -20.6576 -18.8018 -18.8013 -18.8009 -18.7991 -18.4291 -18.4277 -18.3300 -18.3285 -17.9371 -17.9356 -17.9306 -17.9305 -12.3216 -12.3216 -12.3184 -12.3184 -8.7750 -8.7746 -8.5905 -8.5899 -7.0187 -7.0156 -6.9869 -6.9867 -5.9262 -5.9241 -5.6273 -5.6250 -4.8973 -4.8957 -4.8804 -4.8777 -3.8802 -3.8790 -3.8358 -3.8339 -3.7922 -3.7905 -3.6957 -3.6944 -2.9809 -2.9802 -2.8339 -2.8330 -2.3120 -2.3116 -2.2223 -2.2218 -2.0872 -2.0847 -2.0749 -2.0732 -1.4996 -1.4964 -1.3969 -1.3927 -1.3392 -1.3373 -1.2824 -1.2753 -0.9936 -0.9922 -0.9876 -0.9863 -0.5178 -0.5129 -0.5103 -0.5075 -0.4572 -0.4553 -0.4453 -0.4401 -0.3556 -0.3519 -0.3486 -0.3454 7.4137 7.4157 7.5124 7.5161 7.5606 7.5620 k = 0.3815 0.6643 0.0739 ( 7701 PWs) bands (ev): -20.7562 -20.7562 -20.6502 -20.6502 -18.8017 -18.8011 -18.8004 -18.7983 -18.4369 -18.4353 -18.3212 -18.3194 -17.9394 -17.9376 -17.9308 -17.9307 -12.3218 -12.3218 -12.3180 -12.3180 -8.7876 -8.7872 -8.5723 -8.5717 -7.0296 -7.0261 -6.9874 -6.9872 -5.9478 -5.9454 -5.6025 -5.5999 -4.9035 -4.9018 -4.8814 -4.8783 -3.8844 -3.8831 -3.8260 -3.8236 -3.7931 -3.7910 -3.6846 -3.6831 -2.9889 -2.9881 -2.8197 -2.8187 -2.3200 -2.3195 -2.2190 -2.2184 -2.0897 -2.0868 -2.0735 -2.0715 -1.5162 -1.5129 -1.3996 -1.3952 -1.3419 -1.3398 -1.2708 -1.2635 -0.9899 -0.9883 -0.9827 -0.9812 -0.5223 -0.5165 -0.5140 -0.5105 -0.4591 -0.4571 -0.4445 -0.4388 -0.3553 -0.3510 -0.3469 -0.3431 7.3906 7.3926 7.5228 7.5276 7.5607 7.5631 k = 0.3649 0.6585 0.0840 ( 7705 PWs) bands (ev): -20.7632 -20.7632 -20.6429 -20.6428 -18.8015 -18.8009 -18.7997 -18.7975 -18.4446 -18.4428 -18.3122 -18.3102 -17.9420 -17.9399 -17.9310 -17.9309 -12.3221 -12.3221 -12.3176 -12.3175 -8.7998 -8.7994 -8.5539 -8.5532 -7.0418 -7.0379 -6.9879 -6.9877 -5.9685 -5.9659 -5.5783 -5.5753 -4.9102 -4.9084 -4.8824 -4.8790 -3.8890 -3.8876 -3.8160 -3.8129 -3.7921 -3.7893 -3.6736 -3.6719 -2.9961 -2.9952 -2.8057 -2.8046 -2.3275 -2.3269 -2.2169 -2.2162 -2.0924 -2.0891 -2.0717 -2.0695 -1.5327 -1.5294 -1.4030 -1.3983 -1.3448 -1.3425 -1.2592 -1.2518 -0.9860 -0.9841 -0.9775 -0.9759 -0.5268 -0.5202 -0.5178 -0.5136 -0.4611 -0.4591 -0.4438 -0.4378 -0.3550 -0.3501 -0.3452 -0.3409 7.3649 7.3668 7.5299 7.5348 7.5705 7.5731 k = 0.3483 0.6526 0.0941 ( 7704 PWs) bands (ev): -20.7700 -20.7700 -20.6357 -20.6356 -18.8013 -18.8007 -18.7990 -18.7965 -18.4522 -18.4502 -18.3032 -18.3010 -17.9448 -17.9426 -17.9313 -17.9312 -12.3224 -12.3224 -12.3171 -12.3171 -8.8115 -8.8111 -8.5350 -8.5342 -7.0553 -7.0511 -6.9885 -6.9882 -5.9881 -5.9853 -5.5548 -5.5515 -4.9173 -4.9153 -4.8835 -4.8797 -3.8939 -3.8926 -3.8072 -3.8037 -3.7877 -3.7845 -3.6629 -3.6610 -3.0024 -3.0014 -2.7919 -2.7907 -2.3346 -2.3339 -2.2157 -2.2149 -2.0954 -2.0918 -2.0695 -2.0672 -1.5490 -1.5457 -1.4067 -1.4019 -1.3479 -1.3454 -1.2478 -1.2403 -0.9819 -0.9797 -0.9722 -0.9704 -0.5313 -0.5239 -0.5216 -0.5166 -0.4634 -0.4613 -0.4431 -0.4369 -0.3547 -0.3493 -0.3437 -0.3388 7.3375 7.3394 7.5342 7.5384 7.5884 7.5903 k = 0.3317 0.6467 0.1042 ( 7700 PWs) bands (ev): -20.7767 -20.7766 -20.6287 -20.6286 -18.8011 -18.8004 -18.7981 -18.7954 -18.4597 -18.4576 -18.2941 -18.2917 -17.9480 -17.9455 -17.9316 -17.9315 -12.3228 -12.3228 -12.3166 -12.3166 -8.8228 -8.8224 -8.5159 -8.5150 -7.0701 -7.0656 -6.9891 -6.9889 -6.0067 -6.0037 -5.5321 -5.5286 -4.9245 -4.9223 -4.8845 -4.8804 -3.8990 -3.8977 -3.8010 -3.7982 -3.7779 -3.7753 -3.6526 -3.6506 -3.0078 -3.0067 -2.7785 -2.7772 -2.3411 -2.3403 -2.2155 -2.2147 -2.0984 -2.0946 -2.0670 -2.0646 -1.5650 -1.5617 -1.4109 -1.4059 -1.3510 -1.3484 -1.2366 -1.2291 -0.9777 -0.9751 -0.9668 -0.9648 -0.5356 -0.5275 -0.5252 -0.5195 -0.4659 -0.4637 -0.4426 -0.4362 -0.3546 -0.3486 -0.3423 -0.3369 7.3093 7.3111 7.5376 7.5411 7.6106 7.6123 k = 0.3151 0.6409 0.1144 ( 7698 PWs) bands (ev): -20.7831 -20.7831 -20.6218 -20.6218 -18.8009 -18.8001 -18.7972 -18.7943 -18.4672 -18.4649 -18.2849 -18.2823 -17.9514 -17.9487 -17.9319 -17.9318 -12.3231 -12.3231 -12.3161 -12.3161 -8.8337 -8.8333 -8.4964 -8.4955 -7.0860 -7.0813 -6.9898 -6.9895 -6.0243 -6.0211 -5.5104 -5.5066 -4.9316 -4.9294 -4.8855 -4.8810 -3.9042 -3.9030 -3.7967 -3.7948 -3.7646 -3.7628 -3.6427 -3.6406 -3.0123 -3.0111 -2.7656 -2.7642 -2.3472 -2.3463 -2.2161 -2.2152 -2.1016 -2.0975 -2.0643 -2.0618 -1.5804 -1.5771 -1.4152 -1.4102 -1.3541 -1.3515 -1.2257 -1.2182 -0.9736 -0.9705 -0.9615 -0.9593 -0.5395 -0.5308 -0.5285 -0.5222 -0.4686 -0.4662 -0.4422 -0.4357 -0.3547 -0.3482 -0.3411 -0.3353 7.2806 7.2824 7.5409 7.5439 7.6359 7.6375 k = 0.2985 0.6350 0.1245 ( 7712 PWs) bands (ev): -20.7893 -20.7893 -20.6152 -20.6152 -18.8006 -18.7998 -18.7961 -18.7931 -18.4745 -18.4720 -18.2757 -18.2729 -17.9551 -17.9522 -17.9322 -17.9321 -12.3234 -12.3234 -12.3156 -12.3156 -8.8442 -8.8437 -8.4768 -8.4757 -7.1029 -7.0980 -6.9905 -6.9902 -6.0407 -6.0375 -5.4897 -5.4858 -4.9386 -4.9363 -4.8864 -4.8816 -3.9095 -3.9084 -3.7932 -3.7917 -3.7499 -3.7484 -3.6335 -3.6312 -3.0159 -3.0147 -2.7532 -2.7518 -2.3530 -2.3519 -2.2172 -2.2163 -2.1048 -2.1007 -2.0614 -2.0589 -1.5953 -1.5921 -1.4198 -1.4148 -1.3571 -1.3546 -1.2152 -1.2077 -0.9696 -0.9661 -0.9565 -0.9539 -0.5430 -0.5338 -0.5314 -0.5247 -0.4714 -0.4689 -0.4419 -0.4353 -0.3550 -0.3481 -0.3402 -0.3340 7.2520 7.2537 7.5444 7.5470 7.6635 7.6652 k = 0.2819 0.6291 0.1346 ( 7716 PWs) bands (ev): -20.7953 -20.7952 -20.6088 -20.6087 -18.8003 -18.7995 -18.7950 -18.7918 -18.4817 -18.4791 -18.2664 -18.2635 -17.9590 -17.9560 -17.9325 -17.9324 -12.3238 -12.3238 -12.3151 -12.3151 -8.8541 -8.8537 -8.4569 -8.4558 -7.1207 -7.1157 -6.9912 -6.9909 -6.0560 -6.0528 -5.4703 -5.4662 -4.9452 -4.9429 -4.8872 -4.8821 -3.9148 -3.9139 -3.7898 -3.7886 -3.7344 -3.7330 -3.6249 -3.6226 -3.0186 -3.0174 -2.7415 -2.7399 -2.3585 -2.3573 -2.2186 -2.2178 -2.1082 -2.1039 -2.0584 -2.0558 -1.6096 -1.6064 -1.4245 -1.4195 -1.3601 -1.3575 -1.2050 -1.1975 -0.9659 -0.9619 -0.9518 -0.9488 -0.5459 -0.5362 -0.5339 -0.5268 -0.4743 -0.4716 -0.4417 -0.4350 -0.3557 -0.3484 -0.3395 -0.3330 7.2236 7.2253 7.5480 7.5503 7.6932 7.6952 k = 0.2654 0.6233 0.1447 ( 7722 PWs) bands (ev): -20.8010 -20.8009 -20.6026 -20.6026 -18.8000 -18.7992 -18.7937 -18.7904 -18.4887 -18.4861 -18.2572 -18.2541 -17.9632 -17.9600 -17.9329 -17.9327 -12.3241 -12.3241 -12.3146 -12.3145 -8.8636 -8.8632 -8.4370 -8.4357 -7.1392 -7.1341 -6.9920 -6.9917 -6.0702 -6.0670 -5.4522 -5.4480 -4.9513 -4.9490 -4.8879 -4.8825 -3.9200 -3.9192 -3.7864 -3.7853 -3.7184 -3.7172 -3.6170 -3.6146 -3.0206 -3.0193 -2.7303 -2.7287 -2.3641 -2.3628 -2.2199 -2.2192 -2.1115 -2.1072 -2.0554 -2.0528 -1.6230 -1.6199 -1.4293 -1.4244 -1.3628 -1.3603 -1.1951 -1.1878 -0.9625 -0.9579 -0.9476 -0.9441 -0.5481 -0.5379 -0.5360 -0.5287 -0.4772 -0.4743 -0.4416 -0.4349 -0.3566 -0.3490 -0.3392 -0.3324 7.1958 7.1974 7.5518 7.5539 7.7248 7.7271 k = 0.2488 0.6174 0.1549 ( 7716 PWs) bands (ev): -20.8064 -20.8064 -20.5967 -20.5967 -18.7997 -18.7988 -18.7923 -18.7889 -18.4956 -18.4929 -18.2479 -18.2447 -17.9675 -17.9642 -17.9332 -17.9330 -12.3245 -12.3245 -12.3140 -12.3140 -8.8727 -8.8722 -8.4169 -8.4157 -7.1583 -7.1532 -6.9928 -6.9925 -6.0833 -6.0801 -5.4356 -5.4313 -4.9567 -4.9545 -4.8884 -4.8827 -3.9252 -3.9245 -3.7829 -3.7819 -3.7022 -3.7011 -3.6099 -3.6075 -3.0217 -3.0204 -2.7198 -2.7182 -2.3701 -2.3685 -2.2208 -2.2202 -2.1148 -2.1105 -2.0525 -2.0499 -1.6356 -1.6326 -1.4341 -1.4294 -1.3653 -1.3629 -1.1857 -1.1784 -0.9595 -0.9544 -0.9438 -0.9399 -0.5495 -0.5389 -0.5377 -0.5302 -0.4800 -0.4768 -0.4416 -0.4349 -0.3580 -0.3502 -0.3391 -0.3322 7.1687 7.1702 7.5556 7.5575 7.7583 7.7607 k = 0.2322 0.6116 0.1650 ( 7723 PWs) bands (ev): -20.8116 -20.8115 -20.5911 -20.5911 -18.7993 -18.7985 -18.7909 -18.7874 -18.5024 -18.4996 -18.2387 -18.2354 -17.9721 -17.9686 -17.9335 -17.9334 -12.3248 -12.3248 -12.3135 -12.3135 -8.8812 -8.8807 -8.3970 -8.3957 -7.1779 -7.1728 -6.9936 -6.9933 -6.0954 -6.0922 -5.4204 -5.4161 -4.9614 -4.9592 -4.8886 -4.8828 -3.9303 -3.9297 -3.7793 -3.7783 -3.6861 -3.6852 -3.6035 -3.6012 -3.0221 -3.0208 -2.7098 -2.7082 -2.3766 -2.3748 -2.2210 -2.2204 -2.1181 -2.1139 -2.0498 -2.0472 -1.6474 -1.6444 -1.4389 -1.4345 -1.3676 -1.3653 -1.1767 -1.1696 -0.9570 -0.9513 -0.9407 -0.9362 -0.5502 -0.5394 -0.5386 -0.5314 -0.4826 -0.4792 -0.4418 -0.4350 -0.3598 -0.3519 -0.3392 -0.3323 7.1424 7.1439 7.5593 7.5611 7.7933 7.7960 k = 0.2156 0.6057 0.1751 ( 7731 PWs) bands (ev): -20.8164 -20.8164 -20.5858 -20.5857 -18.7990 -18.7982 -18.7893 -18.7859 -18.5089 -18.5061 -18.2296 -18.2261 -17.9768 -17.9733 -17.9338 -17.9337 -12.3252 -12.3252 -12.3130 -12.3130 -8.8892 -8.8888 -8.3772 -8.3758 -7.1977 -7.1927 -6.9943 -6.9940 -6.1064 -6.1033 -5.4069 -5.4027 -4.9653 -4.9632 -4.8887 -4.8826 -3.9352 -3.9347 -3.7756 -3.7748 -3.6702 -3.6695 -3.5980 -3.5957 -3.0219 -3.0205 -2.7004 -2.6987 -2.3840 -2.3821 -2.2201 -2.2196 -2.1214 -2.1172 -2.0473 -2.0447 -1.6582 -1.6554 -1.4438 -1.4395 -1.3695 -1.3673 -1.1681 -1.1612 -0.9549 -0.9486 -0.9381 -0.9331 -0.5501 -0.5401 -0.5380 -0.5323 -0.4850 -0.4813 -0.4420 -0.4352 -0.3621 -0.3542 -0.3396 -0.3327 7.1173 7.1186 7.5630 7.5646 7.8297 7.8327 k = 0.1990 0.5998 0.1852 ( 7731 PWs) bands (ev): -20.8210 -20.8209 -20.5808 -20.5807 -18.7986 -18.7978 -18.7877 -18.7843 -18.5151 -18.5123 -18.2205 -18.2170 -17.9817 -17.9781 -17.9342 -17.9340 -12.3255 -12.3255 -12.3125 -12.3125 -8.8967 -8.8963 -8.3577 -8.3563 -7.2175 -7.2126 -6.9951 -6.9948 -6.1163 -6.1133 -5.3949 -5.3908 -4.9684 -4.9663 -4.8884 -4.8823 -3.9399 -3.9396 -3.7720 -3.7712 -3.6547 -3.6542 -3.5932 -3.5910 -3.0210 -3.0197 -2.6913 -2.6896 -2.3925 -2.3904 -2.2181 -2.2176 -2.1246 -2.1205 -2.0450 -2.0424 -1.6681 -1.6654 -1.4485 -1.4446 -1.3711 -1.3690 -1.1600 -1.1533 -0.9532 -0.9465 -0.9361 -0.9307 -0.5494 -0.5406 -0.5364 -0.5329 -0.4869 -0.4830 -0.4424 -0.4355 -0.3648 -0.3570 -0.3402 -0.3335 7.0933 7.0946 7.5665 7.5680 7.8674 7.8707 k = 0.1824 0.5940 0.1953 ( 7731 PWs) bands (ev): -20.8252 -20.8252 -20.5761 -20.5761 -18.7983 -18.7975 -18.7861 -18.7828 -18.5211 -18.5184 -18.2117 -18.2081 -17.9867 -17.9830 -17.9345 -17.9343 -12.3258 -12.3258 -12.3121 -12.3121 -8.9037 -8.9033 -8.3386 -8.3372 -7.2372 -7.2324 -6.9959 -6.9956 -6.1253 -6.1225 -5.3846 -5.3807 -4.9707 -4.9686 -4.8879 -4.8818 -3.9445 -3.9442 -3.7685 -3.7677 -3.6397 -3.6395 -3.5892 -3.5870 -3.0197 -3.0184 -2.6826 -2.6808 -2.4021 -2.3999 -2.2149 -2.2144 -2.1277 -2.1237 -2.0431 -2.0405 -1.6770 -1.6745 -1.4532 -1.4496 -1.3723 -1.3704 -1.1524 -1.1460 -0.9520 -0.9448 -0.9347 -0.9288 -0.5484 -0.5405 -0.5347 -0.5325 -0.4882 -0.4842 -0.4429 -0.4360 -0.3680 -0.3605 -0.3410 -0.3345 7.0707 7.0719 7.5699 7.5712 7.9062 7.9097 k = 0.1658 0.5881 0.2055 ( 7732 PWs) bands (ev): -20.8291 -20.8291 -20.5718 -20.5718 -18.7979 -18.7972 -18.7844 -18.7812 -18.5267 -18.5241 -18.2030 -18.1994 -17.9917 -17.9881 -17.9348 -17.9346 -12.3261 -12.3261 -12.3116 -12.3116 -8.9101 -8.9097 -8.3201 -8.3187 -7.2564 -7.2519 -6.9966 -6.9963 -6.1333 -6.1307 -5.3758 -5.3721 -4.9722 -4.9701 -4.8871 -4.8810 -3.9488 -3.9486 -3.7650 -3.7643 -3.6259 -3.6253 -3.5859 -3.5837 -3.0179 -3.0166 -2.6740 -2.6722 -2.4129 -2.4105 -2.2106 -2.2101 -2.1306 -2.1267 -2.0415 -2.0389 -1.6850 -1.6828 -1.4577 -1.4544 -1.3732 -1.3714 -1.1453 -1.1392 -0.9512 -0.9436 -0.9338 -0.9276 -0.5477 -0.5402 -0.5337 -0.5296 -0.4889 -0.4848 -0.4436 -0.4367 -0.3717 -0.3644 -0.3419 -0.3357 7.0496 7.0507 7.5730 7.5742 7.9459 7.9497 k = 0.1493 0.5822 0.2156 ( 7723 PWs) bands (ev): -20.8326 -20.8326 -20.5678 -20.5678 -18.7976 -18.7969 -18.7828 -18.7797 -18.5320 -18.5295 -18.1946 -18.1910 -17.9968 -17.9932 -17.9350 -17.9349 -12.3264 -12.3264 -12.3112 -12.3112 -8.9159 -8.9156 -8.3024 -8.3010 -7.2750 -7.2707 -6.9972 -6.9970 -6.1404 -6.1380 -5.3684 -5.3651 -4.9731 -4.9710 -4.8860 -4.8801 -3.9529 -3.9527 -3.7618 -3.7611 -3.6132 -3.6118 -3.5833 -3.5807 -3.0158 -3.0146 -2.6654 -2.6637 -2.4246 -2.4222 -2.2054 -2.2049 -2.1333 -2.1296 -2.0402 -2.0377 -1.6922 -1.6901 -1.4621 -1.4591 -1.3737 -1.3720 -1.1388 -1.1330 -0.9506 -0.9427 -0.9335 -0.9270 -0.5476 -0.5404 -0.5316 -0.5253 -0.4889 -0.4847 -0.4445 -0.4375 -0.3758 -0.3689 -0.3429 -0.3371 7.0301 7.0311 7.5758 7.5769 7.9862 7.9902 k = 0.1327 0.5764 0.2257 ( 7727 PWs) bands (ev): -20.8358 -20.8358 -20.5643 -20.5642 -18.7973 -18.7966 -18.7811 -18.7782 -18.5368 -18.5345 -18.1864 -18.1830 -18.0018 -17.9983 -17.9353 -17.9352 -12.3267 -12.3267 -12.3109 -12.3109 -8.9212 -8.9209 -8.2856 -8.2842 -7.2927 -7.2887 -6.9979 -6.9977 -6.1467 -6.1444 -5.3624 -5.3594 -4.9734 -4.9714 -4.8846 -4.8790 -3.9568 -3.9566 -3.7587 -3.7581 -3.6021 -3.5994 -3.5813 -3.5779 -3.0135 -3.0124 -2.6569 -2.6551 -2.4371 -2.4347 -2.1996 -2.1991 -2.1358 -2.1322 -2.0393 -2.0368 -1.6984 -1.6966 -1.4662 -1.4635 -1.3740 -1.3724 -1.1328 -1.1275 -0.9502 -0.9420 -0.9337 -0.9269 -0.5480 -0.5413 -0.5278 -0.5202 -0.4881 -0.4840 -0.4457 -0.4387 -0.3803 -0.3737 -0.3440 -0.3386 7.0123 7.0132 7.5784 7.5794 8.0266 8.0309 k = 0.1161 0.5705 0.2358 ( 7719 PWs) bands (ev): -20.8387 -20.8387 -20.5611 -20.5610 -18.7969 -18.7964 -18.7795 -18.7769 -18.5412 -18.5391 -18.1787 -18.1754 -18.0067 -18.0033 -17.9355 -17.9354 -12.3269 -12.3269 -12.3105 -12.3105 -8.9258 -8.9256 -8.2699 -8.2686 -7.3092 -7.3056 -6.9985 -6.9983 -6.1520 -6.1501 -5.3576 -5.3549 -4.9733 -4.9713 -4.8831 -4.8779 -3.9602 -3.9601 -3.7559 -3.7554 -3.5931 -3.5880 -3.5799 -3.5745 -3.0111 -3.0101 -2.6481 -2.6463 -2.4502 -2.4478 -2.1935 -2.1930 -2.1381 -2.1347 -2.0386 -2.0362 -1.7039 -1.7022 -1.4699 -1.4676 -1.3740 -1.3726 -1.1274 -1.1226 -0.9499 -0.9416 -0.9343 -0.9272 -0.5487 -0.5427 -0.5227 -0.5145 -0.4868 -0.4828 -0.4471 -0.4401 -0.3849 -0.3789 -0.3452 -0.3403 6.9964 6.9972 7.5807 7.5815 8.0665 8.0711 k = 0.0995 0.5646 0.2460 ( 7713 PWs) bands (ev): -20.8412 -20.8411 -20.5583 -20.5583 -18.7967 -18.7962 -18.7780 -18.7757 -18.5451 -18.5432 -18.1715 -18.1684 -18.0114 -18.0081 -17.9357 -17.9356 -12.3271 -12.3271 -12.3102 -12.3102 -8.9299 -8.9297 -8.2557 -8.2545 -7.3242 -7.3210 -6.9990 -6.9988 -6.1566 -6.1549 -5.3538 -5.3515 -4.9729 -4.9711 -4.8814 -4.8767 -3.9634 -3.9632 -3.7533 -3.7529 -3.5869 -3.5791 -3.5777 -3.5698 -3.0087 -3.0078 -2.6392 -2.6374 -2.4636 -2.4612 -2.1874 -2.1870 -2.1400 -2.1368 -2.0382 -2.0359 -1.7085 -1.7071 -1.4733 -1.4713 -1.3738 -1.3725 -1.1226 -1.1183 -0.9496 -0.9412 -0.9352 -0.9280 -0.5495 -0.5444 -0.5169 -0.5083 -0.4849 -0.4812 -0.4490 -0.4418 -0.3897 -0.3842 -0.3463 -0.3419 6.9824 6.9831 7.5827 7.5834 8.1048 8.1096 k = 0.0829 0.5588 0.2561 ( 7714 PWs) bands (ev): -20.8433 -20.8432 -20.5559 -20.5559 -18.7964 -18.7960 -18.7766 -18.7746 -18.5485 -18.5468 -18.1650 -18.1621 -18.0157 -18.0127 -17.9359 -17.9358 -12.3273 -12.3273 -12.3100 -12.3100 -8.9334 -8.9332 -8.2431 -8.2420 -7.3374 -7.3347 -6.9994 -6.9993 -6.1604 -6.1589 -5.3509 -5.3490 -4.9723 -4.9707 -4.8797 -4.8755 -3.9661 -3.9659 -3.7511 -3.7507 -3.5834 -3.5785 -3.5691 -3.5641 -3.0065 -3.0057 -2.6302 -2.6284 -2.4769 -2.4747 -2.1817 -2.1812 -2.1416 -2.1386 -2.0379 -2.0359 -1.7124 -1.7112 -1.4763 -1.4747 -1.3735 -1.3724 -1.1185 -1.1147 -0.9492 -0.9409 -0.9363 -0.9291 -0.5504 -0.5461 -0.5105 -0.5017 -0.4827 -0.4793 -0.4512 -0.4440 -0.3943 -0.3895 -0.3473 -0.3435 6.9704 6.9710 7.5843 7.5850 8.1391 8.1442 k = 0.0663 0.5529 0.2662 ( 7712 PWs) bands (ev): -20.8450 -20.8450 -20.5539 -20.5539 -18.7962 -18.7959 -18.7754 -18.7737 -18.5513 -18.5499 -18.1591 -18.1567 -18.0194 -18.0169 -17.9360 -17.9360 -12.3275 -12.3275 -12.3098 -12.3098 -8.9362 -8.9361 -8.2323 -8.2315 -7.3487 -7.3464 -6.9998 -6.9997 -6.1634 -6.1623 -5.3487 -5.3472 -4.9717 -4.9702 -4.8780 -4.8745 -3.9684 -3.9682 -3.7493 -3.7490 -3.5815 -3.5782 -3.5617 -3.5585 -3.0045 -3.0038 -2.6211 -2.6194 -2.4899 -2.4877 -2.1767 -2.1761 -2.1428 -2.1400 -2.0378 -2.0361 -1.7155 -1.7146 -1.4788 -1.4775 -1.3731 -1.3722 -1.1150 -1.1119 -0.9487 -0.9407 -0.9375 -0.9304 -0.5511 -0.5478 -0.5039 -0.4951 -0.4803 -0.4773 -0.4540 -0.4468 -0.3985 -0.3945 -0.3481 -0.3450 6.9605 6.9610 7.5857 7.5862 8.1662 8.1707 k = 0.0498 0.5471 0.2763 ( 7713 PWs) bands (ev): -20.8463 -20.8463 -20.5524 -20.5524 -18.7960 -18.7958 -18.7744 -18.7731 -18.5535 -18.5524 -18.1542 -18.1522 -18.0226 -18.0205 -17.9361 -17.9361 -12.3276 -12.3276 -12.3096 -12.3096 -8.9384 -8.9383 -8.2237 -8.2230 -7.3577 -7.3559 -7.0001 -7.0000 -6.1657 -6.1649 -5.3471 -5.3460 -4.9710 -4.9699 -4.8764 -4.8738 -3.9701 -3.9700 -3.7478 -3.7475 -3.5804 -3.5782 -3.5558 -3.5537 -3.0028 -3.0023 -2.6123 -2.6107 -2.5018 -2.4999 -2.1725 -2.1719 -2.1435 -2.1412 -2.0378 -2.0364 -1.7179 -1.7172 -1.4807 -1.4797 -1.3727 -1.3720 -1.1121 -1.1098 -0.9480 -0.9409 -0.9382 -0.9318 -0.5517 -0.5492 -0.4972 -0.4888 -0.4778 -0.4754 -0.4573 -0.4501 -0.4021 -0.3990 -0.3488 -0.3464 6.9527 6.9531 7.5868 7.5871 8.1841 8.1874 k = 0.0332 0.5412 0.2864 ( 7717 PWs) bands (ev): -20.8473 -20.8473 -20.5513 -20.5513 -18.7959 -18.7957 -18.7735 -18.7726 -18.5550 -18.5543 -18.1504 -18.1490 -18.0248 -18.0234 -17.9362 -17.9362 -12.3277 -12.3277 -12.3095 -12.3095 -8.9400 -8.9399 -8.2173 -8.2168 -7.3642 -7.3630 -7.0003 -7.0002 -6.1673 -6.1667 -5.3460 -5.3453 -4.9704 -4.9697 -4.8751 -4.8733 -3.9714 -3.9713 -3.7467 -3.7465 -3.5797 -3.5783 -3.5515 -3.5502 -3.0015 -3.0012 -2.6043 -2.6030 -2.5119 -2.5103 -2.1695 -2.1689 -2.1438 -2.1420 -2.0377 -2.0368 -1.7196 -1.7191 -1.4821 -1.4815 -1.3723 -1.3718 -1.1100 -1.1084 -0.9471 -0.9420 -0.9379 -0.9333 -0.5521 -0.5504 -0.4909 -0.4837 -0.4749 -0.4737 -0.4609 -0.4541 -0.4047 -0.4026 -0.3492 -0.3475 6.9472 6.9474 7.5875 7.5878 8.1944 8.1965 k = 0.0166 0.5353 0.2966 ( 7723 PWs) bands (ev): -20.8479 -20.8479 -20.5507 -20.5507 -18.7958 -18.7957 -18.7729 -18.7725 -18.5558 -18.5555 -18.1479 -18.1472 -18.0261 -18.0254 -17.9362 -17.9362 -12.3277 -12.3277 -12.3094 -12.3094 -8.9410 -8.9409 -8.2133 -8.2131 -7.3680 -7.3674 -7.0004 -7.0004 -6.1682 -6.1679 -5.3453 -5.3449 -4.9700 -4.9696 -4.8741 -4.8732 -3.9722 -3.9722 -3.7460 -3.7459 -3.5792 -3.5785 -3.5488 -3.5482 -3.0007 -3.0005 -2.5983 -2.5976 -2.5188 -2.5179 -2.1676 -2.1672 -2.1437 -2.1427 -2.0376 -2.0371 -1.7205 -1.7203 -1.4829 -1.4826 -1.3720 -1.3718 -1.1085 -1.1077 -0.9460 -0.9434 -0.9371 -0.9347 -0.5522 -0.5514 -0.4854 -0.4811 -0.4723 -0.4715 -0.4640 -0.4585 -0.4062 -0.4052 -0.3492 -0.3484 6.9439 6.9440 7.5880 7.5882 8.1999 8.2008 k = 0.0000 0.5295 0.3067 ( 7724 PWs) bands (ev): -20.8481 -20.8481 -20.5504 -20.5504 -18.7957 -18.7957 -18.7726 -18.7726 -18.5560 -18.5560 -18.1468 -18.1468 -18.0263 -18.0263 -17.9363 -17.9363 -12.3277 -12.3277 -12.3094 -12.3094 -8.9413 -8.9413 -8.2119 -8.2119 -7.3691 -7.3691 -7.0004 -7.0004 -6.1684 -6.1684 -5.3450 -5.3450 -4.9697 -4.9697 -4.8734 -4.8734 -3.9725 -3.9725 -3.7458 -3.7458 -3.5788 -3.5788 -3.5477 -3.5477 -3.0004 -3.0004 -2.5958 -2.5958 -2.5211 -2.5211 -2.1668 -2.1668 -2.1433 -2.1433 -2.0374 -2.0374 -1.7208 -1.7208 -1.4830 -1.4830 -1.3718 -1.3718 -1.1077 -1.1077 -0.9447 -0.9447 -0.9360 -0.9360 -0.5519 -0.5519 -0.4818 -0.4818 -0.4707 -0.4707 -0.4629 -0.4629 -0.4064 -0.4064 -0.3490 -0.3490 6.9428 6.9428 7.5882 7.5882 8.2018 8.2018 k = 0.0000 0.5295 0.3067 ( 7724 PWs) bands (ev): -20.8481 -20.8481 -20.5504 -20.5504 -18.7957 -18.7957 -18.7726 -18.7726 -18.5560 -18.5560 -18.1468 -18.1468 -18.0263 -18.0263 -17.9363 -17.9363 -12.3277 -12.3277 -12.3094 -12.3094 -8.9413 -8.9413 -8.2119 -8.2119 -7.3691 -7.3691 -7.0004 -7.0004 -6.1684 -6.1684 -5.3450 -5.3450 -4.9697 -4.9697 -4.8734 -4.8734 -3.9725 -3.9725 -3.7458 -3.7458 -3.5788 -3.5788 -3.5477 -3.5477 -3.0004 -3.0004 -2.5958 -2.5958 -2.5211 -2.5211 -2.1668 -2.1668 -2.1433 -2.1433 -2.0374 -2.0374 -1.7208 -1.7208 -1.4830 -1.4830 -1.3718 -1.3718 -1.1077 -1.1077 -0.9447 -0.9447 -0.9360 -0.9360 -0.5519 -0.5519 -0.4818 -0.4818 -0.4707 -0.4707 -0.4629 -0.4629 -0.4064 -0.4064 -0.3490 -0.3490 6.9428 6.9428 7.5882 7.5882 8.2018 8.2018 k = 0.0114 0.5214 0.3206 ( 7722 PWs) bands (ev): -20.8478 -20.8478 -20.5509 -20.5509 -18.7959 -18.7955 -18.7727 -18.7726 -18.5554 -18.5551 -18.1472 -18.1470 -18.0263 -18.0262 -17.9367 -17.9363 -12.3277 -12.3277 -12.3094 -12.3094 -8.9404 -8.9404 -8.2130 -8.2129 -7.3690 -7.3688 -7.0020 -7.0013 -6.1668 -6.1664 -5.3456 -5.3454 -4.9704 -4.9698 -4.8739 -4.8736 -3.9717 -3.9716 -3.7457 -3.7455 -3.5790 -3.5788 -3.5479 -3.5475 -2.9998 -2.9996 -2.5960 -2.5960 -2.5211 -2.5211 -2.1754 -2.1741 -2.1365 -2.1354 -2.0373 -2.0373 -1.7209 -1.7208 -1.4889 -1.4867 -1.3681 -1.3662 -1.1075 -1.1074 -0.9450 -0.9446 -0.9361 -0.9361 -0.5520 -0.5520 -0.4836 -0.4805 -0.4708 -0.4705 -0.4639 -0.4609 -0.4066 -0.4064 -0.3493 -0.3492 6.9445 6.9445 7.5894 7.5894 8.2007 8.2007 k = 0.0227 0.5133 0.3346 ( 7716 PWs) bands (ev): -20.8468 -20.8468 -20.5523 -20.5523 -18.7961 -18.7953 -18.7728 -18.7726 -18.5535 -18.5529 -18.1483 -18.1479 -18.0262 -18.0260 -17.9376 -17.9369 -12.3276 -12.3276 -12.3094 -12.3094 -8.9380 -8.9379 -8.2160 -8.2158 -7.3685 -7.3681 -7.0060 -7.0047 -6.1616 -6.1609 -5.3472 -5.3468 -4.9717 -4.9706 -4.8749 -4.8743 -3.9694 -3.9692 -3.7452 -3.7449 -3.5793 -3.5791 -3.5480 -3.5473 -2.9980 -2.9975 -2.5967 -2.5967 -2.5212 -2.5211 -2.1901 -2.1886 -2.1240 -2.1227 -2.0371 -2.0370 -1.7212 -1.7210 -1.5020 -1.4983 -1.3565 -1.3534 -1.1067 -1.1066 -0.9453 -0.9447 -0.9363 -0.9363 -0.5523 -0.5522 -0.4856 -0.4803 -0.4708 -0.4703 -0.4636 -0.4582 -0.4071 -0.4066 -0.3503 -0.3500 6.9496 6.9496 7.5928 7.5929 8.1974 8.1975 k = 0.0341 0.5052 0.3485 ( 7704 PWs) bands (ev): -20.8452 -20.8452 -20.5545 -20.5545 -18.7963 -18.7952 -18.7731 -18.7728 -18.5502 -18.5494 -18.1500 -18.1494 -18.0260 -18.0257 -17.9391 -17.9380 -12.3274 -12.3274 -12.3095 -12.3095 -8.9338 -8.9337 -8.2210 -8.2207 -7.3676 -7.3669 -7.0124 -7.0104 -6.1529 -6.1519 -5.3499 -5.3492 -4.9737 -4.9721 -4.8764 -4.8757 -3.9656 -3.9652 -3.7445 -3.7440 -3.5798 -3.5795 -3.5481 -3.5472 -2.9948 -2.9941 -2.5978 -2.5978 -2.5213 -2.5213 -2.2064 -2.2047 -2.1111 -2.1098 -2.0368 -2.0366 -1.7216 -1.7214 -1.5191 -1.5146 -1.3403 -1.3367 -1.1054 -1.1051 -0.9458 -0.9448 -0.9367 -0.9367 -0.5527 -0.5525 -0.4874 -0.4809 -0.4707 -0.4702 -0.4619 -0.4551 -0.4078 -0.4070 -0.3517 -0.3513 6.9580 6.9580 7.5985 7.5986 8.1922 8.1926 k = 0.0455 0.4972 0.3625 ( 7706 PWs) bands (ev): -20.8429 -20.8429 -20.5577 -20.5576 -18.7965 -18.7951 -18.7734 -18.7730 -18.5456 -18.5446 -18.1524 -18.1516 -18.0258 -18.0252 -17.9410 -17.9396 -12.3272 -12.3272 -12.3095 -12.3095 -8.9280 -8.9278 -8.2279 -8.2276 -7.3662 -7.3654 -7.0208 -7.0182 -6.1410 -6.1397 -5.3537 -5.3528 -4.9762 -4.9741 -4.8786 -4.8776 -3.9603 -3.9598 -3.7434 -3.7427 -3.5806 -3.5801 -3.5483 -3.5470 -2.9903 -2.9894 -2.5994 -2.5994 -2.5215 -2.5214 -2.2235 -2.2217 -2.0987 -2.0974 -2.0363 -2.0360 -1.7224 -1.7221 -1.5382 -1.5332 -1.3219 -1.3181 -1.1035 -1.1032 -0.9465 -0.9452 -0.9372 -0.9372 -0.5531 -0.5529 -0.4891 -0.4820 -0.4706 -0.4701 -0.4594 -0.4518 -0.4086 -0.4076 -0.3538 -0.3532 6.9697 6.9698 7.6064 7.6065 8.1856 8.1861 k = 0.0568 0.4891 0.3764 ( 7708 PWs) bands (ev): -20.8401 -20.8401 -20.5616 -20.5616 -18.7967 -18.7949 -18.7738 -18.7733 -18.5397 -18.5385 -18.1554 -18.1545 -18.0254 -18.0247 -17.9433 -17.9416 -12.3269 -12.3269 -12.3096 -12.3096 -8.9206 -8.9204 -8.2367 -8.2364 -7.3644 -7.3634 -7.0310 -7.0279 -6.1261 -6.1246 -5.3586 -5.3575 -4.9792 -4.9766 -4.8813 -4.8800 -3.9536 -3.9530 -3.7421 -3.7413 -3.5814 -3.5808 -3.5485 -3.5468 -2.9846 -2.9835 -2.6015 -2.6015 -2.5217 -2.5216 -2.2410 -2.2391 -2.0869 -2.0857 -2.0356 -2.0352 -1.7234 -1.7230 -1.5581 -1.5529 -1.3024 -1.2987 -1.1012 -1.1007 -0.9473 -0.9457 -0.9378 -0.9378 -0.5535 -0.5532 -0.4905 -0.4831 -0.4706 -0.4700 -0.4563 -0.4484 -0.4097 -0.4084 -0.3563 -0.3556 6.9846 6.9848 7.6162 7.6163 8.1779 8.1787 k = 0.0682 0.4810 0.3903 ( 7716 PWs) bands (ev): -20.8366 -20.8366 -20.5665 -20.5664 -18.7968 -18.7948 -18.7743 -18.7737 -18.5326 -18.5312 -18.1592 -18.1580 -18.0249 -18.0241 -17.9461 -17.9441 -12.3266 -12.3266 -12.3098 -12.3098 -8.9116 -8.9113 -8.2474 -8.2470 -7.3622 -7.3610 -7.0427 -7.0392 -6.1085 -6.1068 -5.3648 -5.3635 -4.9825 -4.9795 -4.8845 -4.8830 -3.9456 -3.9449 -3.7406 -3.7397 -3.5823 -3.5817 -3.5487 -3.5468 -2.9777 -2.9764 -2.6041 -2.6041 -2.5218 -2.5217 -2.2589 -2.2569 -2.0760 -2.0749 -2.0347 -2.0343 -1.7246 -1.7242 -1.5781 -1.5728 -1.2827 -1.2791 -1.0983 -1.0977 -0.9484 -0.9464 -0.9386 -0.9385 -0.5538 -0.5534 -0.4915 -0.4842 -0.4706 -0.4699 -0.4531 -0.4449 -0.4109 -0.4095 -0.3594 -0.3586 7.0027 7.0029 7.6279 7.6280 8.1694 8.1704 k = 0.0795 0.4729 0.4043 ( 7714 PWs) bands (ev): -20.8325 -20.8325 -20.5720 -20.5720 -18.7969 -18.7946 -18.7748 -18.7742 -18.5243 -18.5228 -18.1636 -18.1623 -18.0243 -18.0234 -17.9491 -17.9469 -12.3261 -12.3261 -12.3099 -12.3099 -8.9010 -8.9007 -8.2599 -8.2595 -7.3596 -7.3582 -7.0557 -7.0518 -6.0884 -6.0867 -5.3723 -5.3709 -4.9859 -4.9824 -4.8882 -4.8865 -3.9365 -3.9356 -3.7390 -3.7379 -3.5834 -3.5826 -3.5489 -3.5468 -2.9696 -2.9680 -2.6073 -2.6072 -2.5220 -2.5218 -2.2770 -2.2750 -2.0660 -2.0649 -2.0336 -2.0331 -1.7263 -1.7257 -1.5980 -1.5926 -1.2631 -1.2597 -1.0950 -1.0943 -0.9496 -0.9473 -0.9394 -0.9393 -0.5538 -0.5534 -0.4922 -0.4851 -0.4706 -0.4699 -0.4497 -0.4416 -0.4122 -0.4107 -0.3630 -0.3621 7.0239 7.0240 7.6411 7.6411 8.1604 8.1618 k = 0.0909 0.4649 0.4182 ( 7710 PWs) bands (ev): -20.8278 -20.8278 -20.5783 -20.5783 -18.7970 -18.7945 -18.7754 -18.7747 -18.5149 -18.5133 -18.1688 -18.1674 -18.0236 -18.0225 -17.9525 -17.9500 -12.3257 -12.3257 -12.3101 -12.3101 -8.8889 -8.8885 -8.2741 -8.2737 -7.3566 -7.3549 -7.0697 -7.0654 -6.0663 -6.0645 -5.3813 -5.3797 -4.9893 -4.9854 -4.8924 -4.8904 -3.9262 -3.9253 -3.7374 -3.7362 -3.5844 -3.5835 -3.5493 -3.5469 -2.9603 -2.9586 -2.6109 -2.6109 -2.5220 -2.5218 -2.2952 -2.2931 -2.0569 -2.0559 -2.0322 -2.0317 -1.7283 -1.7276 -1.6174 -1.6119 -1.2438 -1.2407 -1.0913 -1.0904 -0.9511 -0.9485 -0.9404 -0.9401 -0.5536 -0.5530 -0.4927 -0.4857 -0.4707 -0.4699 -0.4464 -0.4383 -0.4137 -0.4121 -0.3670 -0.3661 7.0479 7.0481 7.6554 7.6554 8.1512 8.1531 k = 0.1023 0.4568 0.4322 ( 7706 PWs) bands (ev): -20.8225 -20.8225 -20.5853 -20.5853 -18.7969 -18.7942 -18.7761 -18.7753 -18.5045 -18.5028 -18.1747 -18.1732 -18.0228 -18.0216 -17.9561 -17.9533 -12.3252 -12.3252 -12.3103 -12.3103 -8.8753 -8.8749 -8.2900 -8.2895 -7.3530 -7.3512 -7.0843 -7.0797 -6.0423 -6.0405 -5.3917 -5.3900 -4.9924 -4.9882 -4.8971 -4.8949 -3.9151 -3.9140 -3.7359 -3.7346 -3.5854 -3.5844 -3.5498 -3.5471 -2.9499 -2.9481 -2.6152 -2.6152 -2.5219 -2.5217 -2.3133 -2.3112 -2.0487 -2.0478 -2.0305 -2.0301 -1.7307 -1.7300 -1.6360 -1.6306 -1.2251 -1.2223 -1.0872 -1.0861 -0.9529 -0.9499 -0.9414 -0.9411 -0.5529 -0.5523 -0.4928 -0.4861 -0.4707 -0.4699 -0.4433 -0.4352 -0.4154 -0.4137 -0.3715 -0.3704 7.0747 7.0749 7.6703 7.6704 8.1422 8.1446 k = 0.1136 0.4487 0.4461 ( 7702 PWs) bands (ev): -20.8166 -20.8166 -20.5930 -20.5930 -18.7968 -18.7940 -18.7768 -18.7759 -18.4932 -18.4915 -18.1814 -18.1799 -18.0219 -18.0205 -17.9598 -17.9569 -12.3246 -12.3246 -12.3105 -12.3105 -8.8602 -8.8598 -8.3074 -8.3070 -7.3491 -7.3470 -7.0993 -7.0945 -6.0168 -6.0150 -5.4037 -5.4020 -4.9952 -4.9907 -4.9021 -4.8997 -3.9032 -3.9020 -3.7345 -3.7331 -3.5864 -3.5852 -3.5505 -3.5475 -2.9385 -2.9365 -2.6203 -2.6202 -2.5216 -2.5214 -2.3313 -2.3291 -2.0416 -2.0408 -2.0284 -2.0280 -1.7336 -1.7327 -1.6538 -1.6485 -1.2070 -1.2045 -1.0829 -1.0816 -0.9549 -0.9516 -0.9426 -0.9421 -0.5516 -0.5510 -0.4928 -0.4863 -0.4709 -0.4701 -0.4403 -0.4324 -0.4172 -0.4154 -0.3762 -0.3752 7.1041 7.1043 7.6852 7.6854 8.1338 8.1367 k = 0.1250 0.4406 0.4600 ( 7696 PWs) bands (ev): -20.8103 -20.8102 -20.6012 -20.6012 -18.7966 -18.7937 -18.7776 -18.7766 -18.4811 -18.4794 -18.1889 -18.1874 -18.0209 -18.0194 -17.9636 -17.9606 -12.3240 -12.3240 -12.3108 -12.3108 -8.8438 -8.8434 -8.3263 -8.3259 -7.3447 -7.3424 -7.1146 -7.1096 -5.9901 -5.9883 -5.4174 -5.4156 -4.9975 -4.9927 -4.9075 -4.9049 -3.8907 -3.8895 -3.7333 -3.7318 -3.5872 -3.5859 -3.5514 -3.5482 -2.9261 -2.9240 -2.6260 -2.6259 -2.5212 -2.5210 -2.3489 -2.3467 -2.0356 -2.0351 -2.0257 -2.0254 -1.7368 -1.7358 -1.6706 -1.6653 -1.1896 -1.1875 -1.0784 -1.0768 -0.9571 -0.9534 -0.9439 -0.9432 -0.5498 -0.5491 -0.4925 -0.4863 -0.4710 -0.4703 -0.4376 -0.4299 -0.4191 -0.4175 -0.3812 -0.3801 7.1359 7.1360 7.6992 7.6996 8.1267 8.1302 k = 0.1364 0.4326 0.4740 ( 7696 PWs) bands (ev): -20.8033 -20.8033 -20.6099 -20.6099 -18.7963 -18.7933 -18.7785 -18.7774 -18.4682 -18.4665 -18.1972 -18.1956 -18.0197 -18.0181 -17.9675 -17.9643 -12.3234 -12.3234 -12.3111 -12.3111 -8.8260 -8.8256 -8.3466 -8.3461 -7.3398 -7.3373 -7.1299 -7.1248 -5.9622 -5.9605 -5.4327 -5.4309 -4.9991 -4.9941 -4.9132 -4.9104 -3.8778 -3.8765 -3.7325 -3.7309 -3.5878 -3.5865 -3.5525 -3.5490 -2.9129 -2.9107 -2.6326 -2.6324 -2.5204 -2.5202 -2.3661 -2.3639 -2.0309 -2.0308 -2.0223 -2.0222 -1.7404 -1.7393 -1.6862 -1.6811 -1.1731 -1.1713 -1.0738 -1.0720 -0.9595 -0.9554 -0.9452 -0.9445 -0.5473 -0.5465 -0.4920 -0.4861 -0.4712 -0.4707 -0.4352 -0.4279 -0.4210 -0.4198 -0.3862 -0.3852 7.1698 7.1700 7.7112 7.7119 8.1215 8.1258 k = 0.1477 0.4245 0.4879 ( 7692 PWs) bands (ev): -20.7959 -20.7959 -20.6191 -20.6190 -18.7959 -18.7929 -18.7793 -18.7782 -18.4546 -18.4530 -18.2063 -18.2048 -18.0185 -18.0167 -17.9714 -17.9681 -12.3227 -12.3227 -12.3115 -12.3115 -8.8070 -8.8066 -8.3681 -8.3677 -7.3344 -7.3317 -7.1450 -7.1399 -5.9335 -5.9320 -5.4496 -5.4479 -5.0001 -4.9949 -4.9192 -4.9162 -3.8646 -3.8632 -3.7322 -3.7305 -3.5882 -3.5868 -3.5539 -3.5502 -2.8988 -2.8965 -2.6401 -2.6397 -2.5194 -2.5192 -2.3827 -2.3805 -2.0275 -2.0273 -2.0185 -2.0184 -1.7443 -1.7431 -1.7007 -1.6956 -1.1574 -1.1561 -1.0693 -1.0671 -0.9620 -0.9575 -0.9468 -0.9459 -0.5442 -0.5433 -0.4914 -0.4858 -0.4715 -0.4711 -0.4333 -0.4274 -0.4223 -0.4220 -0.3912 -0.3902 7.2057 7.2059 7.7201 7.7210 8.1194 8.1243 k = 0.1591 0.4164 0.5019 ( 7692 PWs) bands (ev): -20.7881 -20.7880 -20.6286 -20.6286 -18.7955 -18.7924 -18.7803 -18.7790 -18.4405 -18.4390 -18.2161 -18.2147 -18.0172 -18.0152 -17.9752 -17.9719 -12.3220 -12.3220 -12.3118 -12.3118 -8.7868 -8.7864 -8.3907 -8.3903 -7.3286 -7.3256 -7.1600 -7.1548 -5.9042 -5.9027 -5.4682 -5.4665 -5.0002 -4.9950 -4.9254 -4.9222 -3.8514 -3.8499 -3.7323 -3.7306 -3.5884 -3.5869 -3.5555 -3.5517 -2.8840 -2.8816 -2.6485 -2.6480 -2.5180 -2.5178 -2.3985 -2.3964 -2.0247 -2.0243 -2.0149 -2.0147 -1.7483 -1.7470 -1.7138 -1.7089 -1.1427 -1.1417 -1.0651 -1.0625 -0.9646 -0.9596 -0.9484 -0.9474 -0.5403 -0.5394 -0.4907 -0.4853 -0.4718 -0.4716 -0.4327 -0.4296 -0.4244 -0.4213 -0.3957 -0.3948 7.2433 7.2434 7.7246 7.7257 8.1211 8.1268 k = 0.1705 0.4083 0.5158 ( 7680 PWs) bands (ev): -20.7797 -20.7797 -20.6385 -20.6385 -18.7949 -18.7918 -18.7812 -18.7799 -18.4259 -18.4246 -18.2267 -18.2254 -18.0157 -18.0136 -17.9790 -17.9757 -12.3213 -12.3213 -12.3123 -12.3123 -8.7655 -8.7651 -8.4142 -8.4139 -7.3222 -7.3190 -7.1745 -7.1694 -5.8743 -5.8731 -5.4883 -5.4868 -4.9996 -4.9943 -4.9318 -4.9283 -3.8383 -3.8367 -3.7330 -3.7313 -3.5883 -3.5867 -3.5575 -3.5534 -2.8686 -2.8662 -2.6580 -2.6574 -2.5162 -2.5161 -2.4134 -2.4114 -2.0221 -2.0216 -2.0116 -2.0113 -1.7524 -1.7510 -1.7256 -1.7207 -1.1289 -1.1283 -1.0613 -1.0583 -0.9672 -0.9615 -0.9502 -0.9491 -0.5358 -0.5348 -0.4899 -0.4848 -0.4723 -0.4722 -0.4348 -0.4335 -0.4250 -0.4199 -0.3997 -0.3989 7.2823 7.2824 7.7236 7.7248 8.1277 8.1340 k = 0.1818 0.4003 0.5297 ( 7686 PWs) bands (ev): -20.7710 -20.7710 -20.6487 -20.6487 -18.7943 -18.7912 -18.7822 -18.7808 -18.4109 -18.4098 -18.2381 -18.2369 -18.0141 -18.0118 -17.9826 -17.9793 -12.3206 -12.3206 -12.3127 -12.3127 -8.7431 -8.7428 -8.4386 -8.4383 -7.3153 -7.3119 -7.1887 -7.1836 -5.8442 -5.8431 -5.5100 -5.5085 -4.9982 -4.9928 -4.9382 -4.9346 -3.8255 -3.8238 -3.7345 -3.7327 -3.5878 -3.5862 -3.5597 -3.5555 -2.8526 -2.8502 -2.6686 -2.6678 -2.5138 -2.5138 -2.4273 -2.4255 -2.0197 -2.0191 -2.0088 -2.0086 -1.7563 -1.7550 -1.7360 -1.7311 -1.1161 -1.1159 -1.0581 -1.0547 -0.9695 -0.9633 -0.9521 -0.9510 -0.5306 -0.5296 -0.4890 -0.4842 -0.4731 -0.4727 -0.4394 -0.4385 -0.4242 -0.4185 -0.4029 -0.4023 7.3223 7.3224 7.7164 7.7177 8.1393 8.1462 k = 0.1932 0.3922 0.5437 ( 7690 PWs) bands (ev): -20.7619 -20.7619 -20.6590 -20.6590 -18.7937 -18.7905 -18.7831 -18.7817 -18.3957 -18.3947 -18.2501 -18.2491 -18.0124 -18.0099 -17.9860 -17.9829 -12.3199 -12.3198 -12.3132 -12.3132 -8.7199 -8.7196 -8.4636 -8.4634 -7.3079 -7.3043 -7.2023 -7.1974 -5.8139 -5.8130 -5.5330 -5.5317 -4.9961 -4.9907 -4.9446 -4.9409 -3.8131 -3.8114 -3.7367 -3.7349 -3.5870 -3.5854 -3.5622 -3.5577 -2.8363 -2.8338 -2.6803 -2.6792 -2.5111 -2.5110 -2.4400 -2.4384 -2.0173 -2.0167 -2.0066 -2.0064 -1.7600 -1.7587 -1.7449 -1.7400 -1.1045 -1.1043 -1.0558 -1.0520 -0.9716 -0.9647 -0.9541 -0.9529 -0.5248 -0.5237 -0.4881 -0.4836 -0.4739 -0.4732 -0.4453 -0.4444 -0.4231 -0.4172 -0.4055 -0.4050 7.3630 7.3631 7.7030 7.7043 8.1559 8.1633 k = 0.2045 0.3841 0.5576 ( 7680 PWs) bands (ev): -20.7524 -20.7524 -20.6696 -20.6696 -18.7930 -18.7898 -18.7840 -18.7826 -18.3803 -18.3795 -18.2628 -18.2620 -18.0106 -18.0079 -17.9893 -17.9863 -12.3191 -12.3191 -12.3138 -12.3138 -8.6959 -8.6956 -8.4892 -8.4890 -7.3000 -7.2962 -7.2154 -7.2106 -5.7835 -5.7828 -5.5573 -5.5562 -4.9932 -4.9879 -4.9510 -4.9471 -3.8014 -3.7996 -3.7397 -3.7380 -3.5858 -3.5843 -3.5648 -3.5601 -2.8196 -2.8172 -2.6930 -2.6917 -2.5077 -2.5076 -2.4517 -2.4503 -2.0151 -2.0144 -2.0049 -2.0048 -1.7632 -1.7620 -1.7523 -1.7474 -1.0941 -1.0936 -1.0546 -1.0504 -0.9732 -0.9657 -0.9561 -0.9549 -0.5186 -0.5173 -0.4873 -0.4830 -0.4748 -0.4739 -0.4520 -0.4508 -0.4220 -0.4161 -0.4075 -0.4070 7.4041 7.4041 7.6837 7.6849 8.1767 8.1846 k = 0.2159 0.3760 0.5716 ( 7672 PWs) bands (ev): -20.7426 -20.7426 -20.6802 -20.6802 -18.7923 -18.7890 -18.7849 -18.7836 -18.3649 -18.3642 -18.2761 -18.2754 -18.0087 -18.0057 -17.9923 -17.9895 -12.3184 -12.3184 -12.3144 -12.3143 -8.6711 -8.6709 -8.5152 -8.5151 -7.2915 -7.2874 -7.2279 -7.2233 -5.7533 -5.7528 -5.5827 -5.5818 -4.9897 -4.9844 -4.9573 -4.9533 -3.7906 -3.7885 -3.7435 -3.7420 -3.5843 -3.5830 -3.5675 -3.5625 -2.8028 -2.8004 -2.7067 -2.7052 -2.5037 -2.5035 -2.4622 -2.4609 -2.0131 -2.0125 -2.0038 -2.0037 -1.7658 -1.7647 -1.7582 -1.7532 -1.0849 -1.0840 -1.0546 -1.0501 -0.9743 -0.9661 -0.9580 -0.9570 -0.5119 -0.5104 -0.4867 -0.4826 -0.4759 -0.4747 -0.4589 -0.4574 -0.4210 -0.4151 -0.4089 -0.4085 7.4450 7.4451 7.6593 7.6603 8.2007 8.2091 k = 0.2273 0.3680 0.5855 ( 7674 PWs) bands (ev): -20.7326 -20.7326 -20.6908 -20.6908 -18.7916 -18.7882 -18.7857 -18.7845 -18.3494 -18.3490 -18.2899 -18.2894 -18.0068 -18.0034 -17.9951 -17.9926 -12.3177 -12.3177 -12.3150 -12.3150 -8.6458 -8.6456 -8.5414 -8.5413 -7.2825 -7.2782 -7.2399 -7.2354 -5.7233 -5.7231 -5.6092 -5.6085 -4.9857 -4.9803 -4.9633 -4.9592 -3.7807 -3.7784 -3.7483 -3.7469 -3.5826 -3.5816 -3.5702 -3.5647 -2.7859 -2.7837 -2.7213 -2.7196 -2.4991 -2.4987 -2.4715 -2.4705 -2.0115 -2.0108 -2.0031 -2.0031 -1.7675 -1.7668 -1.7627 -1.7573 -1.0769 -1.0759 -1.0559 -1.0512 -0.9749 -0.9661 -0.9596 -0.9589 -0.5052 -0.5032 -0.4867 -0.4826 -0.4770 -0.4759 -0.4653 -0.4635 -0.4203 -0.4142 -0.4100 -0.4097 7.4854 7.4856 7.6304 7.6312 8.2268 8.2356 k = 0.2386 0.3599 0.5994 ( 7676 PWs) bands (ev): -20.7224 -20.7224 -20.7014 -20.7014 -18.7911 -18.7873 -18.7863 -18.7854 -18.3342 -18.3340 -18.3040 -18.3038 -18.0050 -18.0009 -17.9974 -17.9956 -12.3170 -12.3169 -12.3156 -12.3156 -8.6201 -8.6199 -8.5677 -8.5676 -7.2732 -7.2684 -7.2510 -7.2470 -5.6938 -5.6937 -5.6366 -5.6361 -4.9813 -4.9758 -4.9688 -4.9649 -3.7723 -3.7696 -3.7535 -3.7526 -3.5809 -3.5805 -3.5725 -3.5664 -2.7692 -2.7672 -2.7367 -2.7347 -2.4937 -2.4931 -2.4797 -2.4790 -2.0104 -2.0098 -2.0028 -2.0028 -1.7684 -1.7680 -1.7656 -1.7598 -1.0703 -1.0696 -1.0584 -1.0532 -0.9751 -0.9656 -0.9607 -0.9604 -0.4987 -0.4959 -0.4878 -0.4841 -0.4781 -0.4777 -0.4694 -0.4679 -0.4198 -0.4136 -0.4106 -0.4105 7.5247 7.5250 7.5978 7.5985 8.2533 8.2634 k = 0.2500 0.3518 0.6134 ( 7672 PWs) bands (ev): -20.7120 -20.7120 -20.7119 -20.7119 -18.7909 -18.7866 -18.7866 -18.7862 -18.3212 -18.3212 -18.3165 -18.3165 -18.0041 -17.9985 -17.9985 -17.9982 -12.3163 -12.3163 -12.3163 -12.3163 -8.5944 -8.5944 -8.5936 -8.5934 -7.2660 -7.2588 -7.2588 -7.2571 -5.6668 -5.6668 -5.6629 -5.6624 -4.9785 -4.9721 -4.9721 -4.9690 -3.7679 -3.7642 -3.7569 -3.7569 -3.5800 -3.5800 -3.5736 -3.5670 -2.7531 -2.7531 -2.7523 -2.7483 -2.4889 -2.4876 -2.4854 -2.4854 -2.0100 -2.0094 -2.0027 -2.0027 -1.7685 -1.7684 -1.7668 -1.7607 -1.0669 -1.0669 -1.0605 -1.0545 -0.9752 -0.9653 -0.9611 -0.9611 -0.4949 -0.4897 -0.4897 -0.4884 -0.4786 -0.4786 -0.4707 -0.4695 -0.4196 -0.4133 -0.4108 -0.4108 7.5613 7.5613 7.5634 7.5644 8.2730 8.2899 k = 0.2500 0.3518 0.6134 ( 7672 PWs) bands (ev): -20.7120 -20.7120 -20.7119 -20.7119 -18.7909 -18.7866 -18.7866 -18.7862 -18.3212 -18.3212 -18.3165 -18.3165 -18.0041 -17.9985 -17.9985 -17.9982 -12.3163 -12.3163 -12.3163 -12.3163 -8.5944 -8.5944 -8.5936 -8.5934 -7.2660 -7.2588 -7.2588 -7.2571 -5.6668 -5.6668 -5.6629 -5.6624 -4.9785 -4.9721 -4.9721 -4.9690 -3.7679 -3.7642 -3.7569 -3.7569 -3.5800 -3.5800 -3.5736 -3.5670 -2.7531 -2.7531 -2.7523 -2.7483 -2.4889 -2.4876 -2.4854 -2.4854 -2.0100 -2.0094 -2.0027 -2.0027 -1.7685 -1.7684 -1.7668 -1.7607 -1.0669 -1.0669 -1.0605 -1.0545 -0.9752 -0.9653 -0.9611 -0.9611 -0.4949 -0.4897 -0.4897 -0.4884 -0.4786 -0.4786 -0.4707 -0.4695 -0.4196 -0.4133 -0.4108 -0.4108 7.5613 7.5613 7.5634 7.5644 8.2727 8.2910 k = 0.2568 0.3613 0.5970 ( 7672 PWs) bands (ev): -20.7205 -20.7205 -20.7034 -20.7034 -18.7911 -18.7872 -18.7863 -18.7856 -18.3314 -18.3312 -18.3067 -18.3065 -18.0047 -18.0005 -17.9976 -17.9961 -12.3168 -12.3168 -12.3157 -12.3157 -8.6153 -8.6151 -8.5725 -8.5725 -7.2714 -7.2666 -7.2528 -7.2490 -5.6884 -5.6884 -5.6418 -5.6414 -4.9805 -4.9749 -4.9695 -4.9657 -3.7709 -3.7680 -3.7549 -3.7542 -3.5803 -3.5802 -3.5730 -3.5667 -2.7665 -2.7645 -2.7390 -2.7369 -2.4932 -2.4925 -2.4806 -2.4800 -2.0104 -2.0098 -2.0029 -2.0027 -1.7682 -1.7680 -1.7660 -1.7601 -1.0695 -1.0687 -1.0594 -1.0538 -0.9752 -0.9656 -0.9607 -0.9606 -0.4977 -0.4935 -0.4908 -0.4836 -0.4799 -0.4758 -0.4699 -0.4687 -0.4195 -0.4133 -0.4110 -0.4101 7.5324 7.5328 7.5903 7.5910 8.2571 8.2673 k = 0.2635 0.3708 0.5806 ( 7674 PWs) bands (ev): -20.7285 -20.7285 -20.6951 -20.6951 -18.7914 -18.7879 -18.7859 -18.7849 -18.3433 -18.3429 -18.2956 -18.2952 -18.0059 -18.0025 -17.9959 -17.9938 -12.3174 -12.3173 -12.3153 -12.3153 -8.6354 -8.6352 -8.5521 -8.5521 -7.2785 -7.2742 -7.2443 -7.2402 -5.7114 -5.7112 -5.6205 -5.6199 -4.9835 -4.9783 -4.9649 -4.9611 -3.7764 -3.7739 -3.7527 -3.7515 -3.5803 -3.5801 -3.5720 -3.5660 -2.7806 -2.7783 -2.7250 -2.7231 -2.4990 -2.4985 -2.4734 -2.4726 -2.0119 -2.0113 -2.0031 -2.0029 -1.7671 -1.7666 -1.7641 -1.7583 -1.0744 -1.0731 -1.0587 -1.0534 -0.9752 -0.9665 -0.9592 -0.9591 -0.5019 -0.4981 -0.4930 -0.4848 -0.4759 -0.4730 -0.4669 -0.4668 -0.4188 -0.4129 -0.4105 -0.4088 7.5039 7.5042 7.6132 7.6140 8.2336 8.2423 k = 0.2703 0.3803 0.5641 ( 7674 PWs) bands (ev): -20.7360 -20.7360 -20.6872 -20.6872 -18.7919 -18.7886 -18.7853 -18.7842 -18.3549 -18.3543 -18.2853 -18.2847 -18.0071 -18.0042 -17.9939 -17.9915 -12.3179 -12.3178 -12.3149 -12.3149 -8.6545 -8.6543 -8.5328 -8.5327 -7.2847 -7.2809 -7.2355 -7.2313 -5.7337 -5.7333 -5.6009 -5.6000 -4.9862 -4.9811 -4.9598 -4.9562 -3.7823 -3.7800 -3.7520 -3.7506 -3.5795 -3.5794 -3.5714 -3.5654 -2.7948 -2.7924 -2.7109 -2.7092 -2.5048 -2.5046 -2.4651 -2.4642 -2.0145 -2.0138 -2.0032 -2.0029 -1.7647 -1.7640 -1.7613 -1.7555 -1.0805 -1.0789 -1.0597 -1.0543 -0.9753 -0.9675 -0.9569 -0.9564 -0.5056 -0.5023 -0.4963 -0.4881 -0.4722 -0.4716 -0.4640 -0.4613 -0.4177 -0.4118 -0.4094 -0.4072 7.4769 7.4770 7.6314 7.6324 8.2085 8.2165 k = 0.2770 0.3898 0.5477 ( 7680 PWs) bands (ev): -20.7430 -20.7430 -20.6797 -20.6797 -18.7924 -18.7893 -18.7846 -18.7836 -18.3660 -18.3652 -18.2760 -18.2751 -18.0081 -18.0055 -17.9918 -17.9892 -12.3183 -12.3183 -12.3146 -12.3146 -8.6724 -8.6721 -8.5147 -8.5145 -7.2898 -7.2863 -7.2267 -7.2224 -5.7553 -5.7547 -5.5829 -5.5817 -4.9884 -4.9834 -4.9545 -4.9511 -3.7883 -3.7862 -3.7530 -3.7515 -3.5783 -3.5781 -3.5712 -3.5651 -2.8090 -2.8065 -2.6969 -2.6954 -2.5105 -2.5104 -2.4559 -2.4550 -2.0181 -2.0174 -2.0034 -2.0031 -1.7612 -1.7604 -1.7575 -1.7518 -1.0874 -1.0857 -1.0623 -1.0567 -0.9756 -0.9686 -0.9538 -0.9530 -0.5088 -0.5060 -0.5001 -0.4918 -0.4727 -0.4698 -0.4596 -0.4551 -0.4159 -0.4102 -0.4075 -0.4052 7.4514 7.4515 7.6453 7.6464 8.1825 8.1899 k = 0.2838 0.3994 0.5313 ( 7687 PWs) bands (ev): -20.7495 -20.7495 -20.6726 -20.6726 -18.7930 -18.7899 -18.7839 -18.7830 -18.3766 -18.3757 -18.2676 -18.2664 -18.0087 -18.0065 -17.9895 -17.9869 -12.3188 -12.3188 -12.3143 -12.3143 -8.6892 -8.6889 -8.4981 -8.4978 -7.2936 -7.2905 -7.2179 -7.2135 -5.7761 -5.7753 -5.5665 -5.5651 -4.9900 -4.9850 -4.9491 -4.9460 -3.7943 -3.7923 -3.7554 -3.7538 -3.5774 -3.5770 -3.5709 -3.5649 -2.8230 -2.8204 -2.6834 -2.6820 -2.5158 -2.5157 -2.4461 -2.4451 -2.0227 -2.0220 -2.0036 -2.0033 -1.7566 -1.7558 -1.7528 -1.7470 -1.0951 -1.0934 -1.0663 -1.0605 -0.9759 -0.9695 -0.9501 -0.9492 -0.5114 -0.5092 -0.5038 -0.4956 -0.4740 -0.4697 -0.4546 -0.4491 -0.4135 -0.4079 -0.4048 -0.4026 7.4276 7.4276 7.6554 7.6566 8.1559 8.1630 k = 0.2905 0.4089 0.5149 ( 7686 PWs) bands (ev): -20.7555 -20.7555 -20.6659 -20.6659 -18.7935 -18.7905 -18.7833 -18.7825 -18.3867 -18.3855 -18.2602 -18.2588 -18.0089 -18.0070 -17.9873 -17.9846 -12.3192 -12.3192 -12.3141 -12.3141 -8.7049 -8.7045 -8.4830 -8.4827 -7.2959 -7.2932 -7.2091 -7.2047 -5.7961 -5.7950 -5.5517 -5.5500 -4.9909 -4.9859 -4.9437 -4.9410 -3.8002 -3.7982 -3.7590 -3.7574 -3.5775 -3.5773 -3.5694 -3.5643 -2.8369 -2.8342 -2.6708 -2.6697 -2.5202 -2.5200 -2.4357 -2.4347 -2.0281 -2.0273 -2.0041 -2.0038 -1.7511 -1.7501 -1.7471 -1.7413 -1.1036 -1.1019 -1.0714 -1.0655 -0.9762 -0.9702 -0.9461 -0.9452 -0.5137 -0.5120 -0.5074 -0.4994 -0.4758 -0.4703 -0.4501 -0.4438 -0.4108 -0.4050 -0.4013 -0.3996 7.4055 7.4056 7.6622 7.6635 8.1291 8.1357 k = 0.2973 0.4184 0.4985 ( 7689 PWs) bands (ev): -20.7609 -20.7609 -20.6597 -20.6597 -18.7940 -18.7911 -18.7827 -18.7821 -18.3962 -18.3948 -18.2540 -18.2522 -18.0085 -18.0071 -17.9850 -17.9823 -12.3196 -12.3196 -12.3140 -12.3140 -8.7194 -8.7190 -8.4696 -8.4692 -7.2967 -7.2943 -7.2002 -7.1958 -5.8151 -5.8137 -5.5385 -5.5365 -4.9913 -4.9863 -4.9383 -4.9361 -3.8059 -3.8040 -3.7634 -3.7618 -3.5798 -3.5786 -3.5669 -3.5630 -2.8505 -2.8478 -2.6597 -2.6589 -2.5231 -2.5227 -2.4248 -2.4239 -2.0342 -2.0333 -2.0047 -2.0045 -1.7448 -1.7437 -1.7404 -1.7346 -1.1127 -1.1111 -1.0775 -1.0713 -0.9764 -0.9708 -0.9421 -0.9412 -0.5161 -0.5145 -0.5103 -0.5031 -0.4779 -0.4714 -0.4462 -0.4393 -0.4077 -0.4015 -0.3971 -0.3961 7.3852 7.3854 7.6662 7.6675 8.1020 8.1083 k = 0.3041 0.4279 0.4821 ( 7697 PWs) bands (ev): -20.7658 -20.7658 -20.6540 -20.6540 -18.7946 -18.7917 -18.7823 -18.7818 -18.4051 -18.4034 -18.2489 -18.2468 -18.0077 -18.0066 -17.9827 -17.9799 -12.3200 -12.3199 -12.3139 -12.3139 -8.7328 -8.7324 -8.4581 -8.4575 -7.2958 -7.2938 -7.1914 -7.1869 -5.8332 -5.8316 -5.5268 -5.5245 -4.9910 -4.9861 -4.9332 -4.9314 -3.8115 -3.8097 -3.7684 -3.7668 -3.5834 -3.5816 -3.5643 -3.5613 -2.8637 -2.8609 -2.6509 -2.6503 -2.5238 -2.5232 -2.4136 -2.4127 -2.0407 -2.0399 -2.0057 -2.0055 -1.7377 -1.7365 -1.7327 -1.7269 -1.1224 -1.1207 -1.0842 -1.0779 -0.9764 -0.9711 -0.9383 -0.9375 -0.5189 -0.5168 -0.5123 -0.5067 -0.4800 -0.4724 -0.4430 -0.4357 -0.4042 -0.3977 -0.3923 -0.3921 7.3668 7.3671 7.6676 7.6691 8.0749 8.0808 k = 0.3108 0.4374 0.4656 ( 7699 PWs) bands (ev): -20.7702 -20.7702 -20.6488 -20.6487 -18.7950 -18.7922 -18.7819 -18.7817 -18.4133 -18.4114 -18.2450 -18.2426 -18.0063 -18.0056 -17.9803 -17.9776 -12.3203 -12.3203 -12.3139 -12.3139 -8.7451 -8.7446 -8.4484 -8.4477 -7.2931 -7.2915 -7.1825 -7.1781 -5.8502 -5.8484 -5.5166 -5.5140 -4.9902 -4.9852 -4.9284 -4.9270 -3.8170 -3.8152 -3.7737 -3.7722 -3.5880 -3.5858 -3.5618 -3.5594 -2.8764 -2.8736 -2.6450 -2.6448 -2.5218 -2.5210 -2.4021 -2.4012 -2.0476 -2.0468 -2.0069 -2.0068 -1.7300 -1.7287 -1.7242 -1.7183 -1.1325 -1.1309 -1.0914 -1.0850 -0.9763 -0.9713 -0.9348 -0.9341 -0.5222 -0.5190 -0.5137 -0.5102 -0.4819 -0.4734 -0.4406 -0.4330 -0.4006 -0.3936 -0.3878 -0.3872 7.3504 7.3507 7.6670 7.6684 8.0478 8.0533 k = 0.3176 0.4469 0.4492 ( 7700 PWs) bands (ev): -20.7740 -20.7740 -20.6440 -20.6440 -18.7955 -18.7927 -18.7817 -18.7816 -18.4208 -18.4187 -18.2422 -18.2395 -18.0044 -18.0040 -17.9780 -17.9753 -12.3206 -12.3206 -12.3139 -12.3139 -8.7562 -8.7557 -8.4407 -8.4399 -7.2886 -7.2875 -7.1737 -7.1693 -5.8662 -5.8642 -5.5080 -5.5050 -4.9887 -4.9838 -4.9239 -4.9229 -3.8222 -3.8205 -3.7792 -3.7778 -3.5936 -3.5911 -3.5597 -3.5579 -2.8886 -2.8858 -2.6424 -2.6423 -2.5167 -2.5157 -2.3905 -2.3896 -2.0548 -2.0539 -2.0085 -2.0084 -1.7218 -1.7204 -1.7147 -1.7088 -1.1429 -1.1413 -1.0990 -1.0924 -0.9760 -0.9713 -0.9318 -0.9313 -0.5255 -0.5213 -0.5148 -0.5135 -0.4834 -0.4739 -0.4387 -0.4310 -0.3967 -0.3894 -0.3832 -0.3820 7.3359 7.3363 7.6645 7.6660 8.0207 8.0259 k = 0.3243 0.4564 0.4328 ( 7711 PWs) bands (ev): -20.7773 -20.7773 -20.6399 -20.6399 -18.7960 -18.7932 -18.7818 -18.7817 -18.4275 -18.4252 -18.2405 -18.2376 -18.0020 -18.0019 -17.9756 -17.9729 -12.3208 -12.3208 -12.3139 -12.3139 -8.7662 -8.7656 -8.4350 -8.4341 -7.2824 -7.2817 -7.1649 -7.1605 -5.8812 -5.8789 -5.5007 -5.4975 -4.9867 -4.9818 -4.9199 -4.9193 -3.8273 -3.8256 -3.7848 -3.7834 -3.6001 -3.5975 -3.5583 -3.5569 -2.9003 -2.8975 -2.6432 -2.6428 -2.5088 -2.5077 -2.3788 -2.3780 -2.0619 -2.0611 -2.0103 -2.0102 -1.7133 -1.7118 -1.7043 -1.6983 -1.1535 -1.1519 -1.1068 -1.1001 -0.9756 -0.9711 -0.9294 -0.9290 -0.5288 -0.5236 -0.5165 -0.5160 -0.4842 -0.4740 -0.4374 -0.4296 -0.3927 -0.3853 -0.3785 -0.3769 7.3234 7.3238 7.6604 7.6619 7.9938 7.9987 k = 0.3311 0.4659 0.4164 ( 7713 PWs) bands (ev): -20.7800 -20.7800 -20.6363 -20.6362 -18.7964 -18.7937 -18.7821 -18.7818 -18.4334 -18.4310 -18.2399 -18.2367 -17.9993 -17.9991 -17.9733 -17.9706 -12.3211 -12.3210 -12.3140 -12.3140 -8.7751 -8.7745 -8.4313 -8.4303 -7.2744 -7.2741 -7.1561 -7.1518 -5.8950 -5.8924 -5.4949 -5.4914 -4.9841 -4.9793 -4.9162 -4.9161 -3.8321 -3.8304 -3.7903 -3.7890 -3.6074 -3.6047 -3.5575 -3.5565 -2.9113 -2.9085 -2.6465 -2.6459 -2.4986 -2.4975 -2.3671 -2.3663 -2.0690 -2.0682 -2.0124 -2.0124 -1.7045 -1.7031 -1.6931 -1.6870 -1.1641 -1.1626 -1.1148 -1.1080 -0.9752 -0.9709 -0.9277 -0.9273 -0.5318 -0.5258 -0.5194 -0.5174 -0.4842 -0.4737 -0.4364 -0.4286 -0.3887 -0.3813 -0.3738 -0.3720 7.3130 7.3135 7.6550 7.6564 7.9670 7.9716 k = 0.3378 0.4754 0.4000 ( 7721 PWs) bands (ev): -20.7822 -20.7821 -20.6332 -20.6332 -18.7968 -18.7941 -18.7826 -18.7820 -18.4386 -18.4360 -18.2403 -18.2370 -17.9963 -17.9959 -17.9709 -17.9683 -12.3213 -12.3213 -12.3142 -12.3142 -8.7829 -8.7822 -8.4295 -8.4284 -7.2648 -7.2648 -7.1473 -7.1430 -5.9076 -5.9049 -5.4905 -5.4867 -4.9811 -4.9762 -4.9134 -4.9130 -3.8367 -3.8350 -3.7957 -3.7944 -3.6155 -3.6128 -3.5576 -3.5570 -2.9217 -2.9189 -2.6518 -2.6510 -2.4870 -2.4858 -2.3555 -2.3547 -2.0757 -2.0750 -2.0149 -2.0148 -1.6955 -1.6942 -1.6811 -1.6748 -1.1747 -1.1732 -1.1230 -1.1161 -0.9747 -0.9707 -0.9266 -0.9264 -0.5345 -0.5280 -0.5220 -0.5190 -0.4835 -0.4729 -0.4358 -0.4280 -0.3848 -0.3774 -0.3694 -0.3673 7.3046 7.3051 7.6483 7.6497 7.9406 7.9449 k = 0.3446 0.4849 0.3836 ( 7721 PWs) bands (ev): -20.7838 -20.7838 -20.6307 -20.6307 -18.7972 -18.7945 -18.7832 -18.7825 -18.4430 -18.4402 -18.2417 -18.2382 -17.9929 -17.9923 -17.9685 -17.9660 -12.3214 -12.3214 -12.3143 -12.3143 -8.7895 -8.7889 -8.4297 -8.4285 -7.2540 -7.2536 -7.1385 -7.1343 -5.9191 -5.9161 -5.4876 -5.4835 -4.9775 -4.9727 -4.9110 -4.9103 -3.8410 -3.8394 -3.8009 -3.7997 -3.6242 -3.6216 -3.5585 -3.5582 -2.9314 -2.9286 -2.6584 -2.6574 -2.4746 -2.4734 -2.3441 -2.3433 -2.0820 -2.0812 -2.0176 -2.0175 -1.6864 -1.6852 -1.6683 -1.6619 -1.1851 -1.1837 -1.1312 -1.1242 -0.9742 -0.9704 -0.9262 -0.9261 -0.5369 -0.5300 -0.5243 -0.5208 -0.4822 -0.4717 -0.4354 -0.4276 -0.3810 -0.3738 -0.3652 -0.3630 7.2983 7.2988 7.6407 7.6420 7.9144 7.9185 k = 0.3514 0.4944 0.3672 ( 7716 PWs) bands (ev): -20.7849 -20.7849 -20.6288 -20.6287 -18.7975 -18.7949 -18.7840 -18.7831 -18.4466 -18.4437 -18.2439 -18.2403 -17.9892 -17.9884 -17.9662 -17.9637 -12.3216 -12.3216 -12.3145 -12.3145 -8.7952 -8.7945 -8.4317 -8.4305 -7.2417 -7.2410 -7.1298 -7.1256 -5.9293 -5.9261 -5.4861 -5.4818 -4.9734 -4.9687 -4.9091 -4.9079 -3.8450 -3.8434 -3.8059 -3.8048 -3.6336 -3.6310 -3.5604 -3.5603 -2.9404 -2.9376 -2.6660 -2.6649 -2.4619 -2.4608 -2.3329 -2.3322 -2.0876 -2.0869 -2.0205 -2.0204 -1.6772 -1.6761 -1.6548 -1.6482 -1.1953 -1.1939 -1.1394 -1.1323 -0.9738 -0.9703 -0.9266 -0.9265 -0.5389 -0.5319 -0.5263 -0.5226 -0.4804 -0.4702 -0.4352 -0.4274 -0.3774 -0.3703 -0.3614 -0.3591 7.2940 7.2945 7.6321 7.6333 7.8886 7.8924 k = 0.3581 0.5039 0.3507 ( 7708 PWs) bands (ev): -20.7855 -20.7854 -20.6274 -20.6274 -18.7979 -18.7953 -18.7849 -18.7838 -18.4495 -18.4464 -18.2469 -18.2432 -17.9853 -17.9843 -17.9638 -17.9614 -12.3217 -12.3217 -12.3148 -12.3148 -8.7997 -8.7990 -8.4355 -8.4342 -7.2282 -7.2271 -7.1210 -7.1170 -5.9382 -5.9348 -5.4860 -5.4815 -4.9690 -4.9643 -4.9075 -4.9060 -3.8487 -3.8472 -3.8107 -3.8098 -3.6436 -3.6409 -3.5634 -3.5631 -2.9486 -2.9459 -2.6744 -2.6731 -2.4493 -2.4482 -2.3220 -2.3213 -2.0924 -2.0917 -2.0237 -2.0236 -1.6679 -1.6670 -1.6408 -1.6341 -1.2052 -1.2038 -1.1477 -1.1405 -0.9735 -0.9702 -0.9277 -0.9276 -0.5404 -0.5334 -0.5279 -0.5242 -0.4782 -0.4685 -0.4351 -0.4273 -0.3740 -0.3672 -0.3581 -0.3557 7.2917 7.2923 7.6227 7.6239 7.8633 7.8669 k = 0.3649 0.5135 0.3343 ( 7708 PWs) bands (ev): -20.7855 -20.7855 -20.6266 -20.6266 -18.7982 -18.7957 -18.7859 -18.7847 -18.4515 -18.4483 -18.2506 -18.2468 -17.9812 -17.9802 -17.9615 -17.9592 -12.3218 -12.3218 -12.3150 -12.3150 -8.8032 -8.8025 -8.4408 -8.4395 -7.2135 -7.2122 -7.1124 -7.1083 -5.9457 -5.9422 -5.4874 -5.4827 -4.9641 -4.9595 -4.9062 -4.9043 -3.8521 -3.8507 -3.8154 -3.8145 -3.6539 -3.6513 -3.5674 -3.5669 -2.9560 -2.9534 -2.6833 -2.6820 -2.4370 -2.4360 -2.3115 -2.3108 -2.0963 -2.0956 -2.0271 -2.0270 -1.6585 -1.6578 -1.6263 -1.6194 -1.2146 -1.2134 -1.1560 -1.1487 -0.9733 -0.9703 -0.9296 -0.9293 -0.5416 -0.5346 -0.5291 -0.5255 -0.4758 -0.4666 -0.4351 -0.4274 -0.3708 -0.3643 -0.3552 -0.3527 7.2915 7.2920 7.6127 7.6138 7.8384 7.8418 k = 0.3716 0.5230 0.3179 ( 7713 PWs) bands (ev): -20.7851 -20.7850 -20.6264 -20.6264 -18.7985 -18.7961 -18.7870 -18.7857 -18.4528 -18.4496 -18.2549 -18.2511 -17.9771 -17.9759 -17.9592 -17.9570 -12.3218 -12.3218 -12.3153 -12.3153 -8.8057 -8.8050 -8.4476 -8.4463 -7.1980 -7.1964 -7.1037 -7.0998 -5.9520 -5.9483 -5.4902 -5.4854 -4.9589 -4.9544 -4.9050 -4.9029 -3.8552 -3.8538 -3.8198 -3.8190 -3.6646 -3.6621 -3.5723 -3.5716 -2.9625 -2.9600 -2.6928 -2.6913 -2.4252 -2.4243 -2.3014 -2.3007 -2.0991 -2.0986 -2.0307 -2.0305 -1.6490 -1.6485 -1.6114 -1.6044 -1.2237 -1.2226 -1.1643 -1.1570 -0.9734 -0.9706 -0.9321 -0.9317 -0.5422 -0.5354 -0.5298 -0.5265 -0.4733 -0.4647 -0.4353 -0.4276 -0.3679 -0.3617 -0.3527 -0.3502 7.2932 7.2938 7.6023 7.6032 7.8142 7.8173 k = 0.3784 0.5325 0.3015 ( 7713 PWs) bands (ev): -20.7841 -20.7841 -20.6268 -20.6267 -18.7988 -18.7965 -18.7883 -18.7868 -18.4535 -18.4502 -18.2597 -18.2560 -17.9729 -17.9717 -17.9569 -17.9548 -12.3219 -12.3219 -12.3155 -12.3155 -8.8072 -8.8065 -8.4558 -8.4545 -7.1818 -7.1800 -7.0951 -7.0913 -5.9567 -5.9529 -5.4946 -5.4897 -4.9534 -4.9490 -4.9040 -4.9016 -3.8580 -3.8566 -3.8241 -3.8233 -3.6755 -3.6730 -3.5782 -3.5773 -2.9683 -2.9658 -2.7026 -2.7011 -2.4140 -2.4132 -2.2918 -2.2911 -2.1010 -2.1005 -2.0345 -2.0342 -1.6393 -1.6390 -1.5963 -1.5891 -1.2323 -1.2313 -1.1726 -1.1653 -0.9737 -0.9711 -0.9353 -0.9348 -0.5424 -0.5358 -0.5300 -0.5270 -0.4708 -0.4627 -0.4356 -0.4279 -0.3653 -0.3593 -0.3508 -0.3482 7.2968 7.2974 7.5914 7.5923 7.7905 7.7935 k = 0.3851 0.5420 0.2851 ( 7713 PWs) bands (ev): -20.7826 -20.7826 -20.6276 -20.6276 -18.7991 -18.7968 -18.7895 -18.7880 -18.4534 -18.4501 -18.2650 -18.2613 -17.9688 -17.9676 -17.9546 -17.9526 -12.3219 -12.3219 -12.3158 -12.3158 -8.8077 -8.8070 -8.4651 -8.4638 -7.1652 -7.1631 -7.0866 -7.0829 -5.9601 -5.9562 -5.5005 -5.4955 -4.9477 -4.9434 -4.9031 -4.9005 -3.8604 -3.8591 -3.8282 -3.8275 -3.6865 -3.6841 -3.5850 -3.5839 -2.9731 -2.9707 -2.7129 -2.7114 -2.4035 -2.4027 -2.2827 -2.2820 -2.1019 -2.1013 -2.0384 -2.0381 -1.6294 -1.6293 -1.5809 -1.5737 -1.2405 -1.2396 -1.1810 -1.1737 -0.9743 -0.9720 -0.9390 -0.9384 -0.5421 -0.5357 -0.5298 -0.5272 -0.4684 -0.4608 -0.4359 -0.4283 -0.3630 -0.3573 -0.3493 -0.3466 7.3023 7.3028 7.5804 7.5811 7.7676 7.7703 k = 0.3919 0.5515 0.2687 ( 7717 PWs) bands (ev): -20.7807 -20.7807 -20.6291 -20.6290 -18.7994 -18.7972 -18.7908 -18.7892 -18.4526 -18.4494 -18.2707 -18.2671 -17.9647 -17.9636 -17.9524 -17.9505 -12.3219 -12.3219 -12.3161 -12.3161 -8.8072 -8.8065 -8.4755 -8.4742 -7.1483 -7.1461 -7.0781 -7.0746 -5.9619 -5.9579 -5.5078 -5.5029 -4.9419 -4.9376 -4.9021 -4.8993 -3.8624 -3.8612 -3.8321 -3.8315 -3.6975 -3.6951 -3.5926 -3.5913 -2.9770 -2.9748 -2.7236 -2.7220 -2.3936 -2.3928 -2.2742 -2.2735 -2.1018 -2.1013 -2.0423 -2.0420 -1.6192 -1.6191 -1.5656 -1.5583 -1.2482 -1.2474 -1.1895 -1.1822 -0.9752 -0.9731 -0.9432 -0.9425 -0.5413 -0.5352 -0.5291 -0.5268 -0.4660 -0.4589 -0.4363 -0.4288 -0.3610 -0.3557 -0.3482 -0.3455 7.3095 7.3101 7.5692 7.5698 7.7454 7.7480 k = 0.3986 0.5610 0.2523 ( 7713 PWs) bands (ev): -20.7784 -20.7783 -20.6310 -20.6310 -18.7996 -18.7975 -18.7921 -18.7905 -18.4513 -18.4481 -18.2768 -18.2733 -17.9608 -17.9597 -17.9502 -17.9484 -12.3219 -12.3219 -12.3164 -12.3164 -8.8058 -8.8051 -8.4868 -8.4856 -7.1315 -7.1292 -7.0698 -7.0664 -5.9622 -5.9582 -5.5167 -5.5118 -4.9359 -4.9318 -4.9011 -4.8982 -3.8642 -3.8630 -3.8358 -3.8353 -3.7083 -3.7060 -3.6011 -3.5997 -2.9801 -2.9779 -2.7346 -2.7331 -2.3842 -2.3835 -2.2663 -2.2656 -2.1009 -2.1004 -2.0463 -2.0460 -1.6088 -1.6084 -1.5503 -1.5429 -1.2554 -1.2548 -1.1981 -1.1908 -0.9764 -0.9745 -0.9478 -0.9470 -0.5401 -0.5343 -0.5280 -0.5260 -0.4638 -0.4572 -0.4368 -0.4294 -0.3594 -0.3543 -0.3475 -0.3447 7.3184 7.3190 7.5582 7.5587 7.7242 7.7266 k = 0.4054 0.5705 0.2358 ( 7712 PWs) bands (ev): -20.7756 -20.7755 -20.6334 -20.6334 -18.7999 -18.7979 -18.7933 -18.7917 -18.4494 -18.4462 -18.2831 -18.2798 -17.9571 -17.9560 -17.9480 -17.9464 -12.3218 -12.3218 -12.3167 -12.3167 -8.8035 -8.8028 -8.4989 -8.4977 -7.1149 -7.1125 -7.0616 -7.0583 -5.9608 -5.9569 -5.5271 -5.5223 -4.9299 -4.9259 -4.8999 -4.8969 -3.8655 -3.8645 -3.8394 -3.8390 -3.7188 -3.7165 -3.6103 -3.6088 -2.9822 -2.9802 -2.7461 -2.7445 -2.3752 -2.3745 -2.2592 -2.2585 -2.0993 -2.0989 -2.0503 -2.0499 -1.5979 -1.5973 -1.5351 -1.5277 -1.2623 -1.2618 -1.2068 -1.1996 -0.9779 -0.9761 -0.9527 -0.9519 -0.5384 -0.5329 -0.5265 -0.5247 -0.4617 -0.4556 -0.4374 -0.4300 -0.3581 -0.3532 -0.3472 -0.3443 7.3289 7.3295 7.5473 7.5477 7.7039 7.7062 k = 0.4122 0.5800 0.2194 ( 7719 PWs) bands (ev): -20.7723 -20.7723 -20.6363 -20.6363 -18.8002 -18.7983 -18.7945 -18.7929 -18.4469 -18.4439 -18.2897 -18.2865 -17.9535 -17.9525 -17.9459 -17.9445 -12.3218 -12.3218 -12.3170 -12.3170 -8.8003 -8.7996 -8.5116 -8.5104 -7.0987 -7.0963 -7.0535 -7.0504 -5.9579 -5.9539 -5.5389 -5.5342 -4.9239 -4.9201 -4.8985 -4.8956 -3.8666 -3.8656 -3.8429 -3.8425 -3.7289 -3.7267 -3.6201 -3.6185 -2.9834 -2.9814 -2.7579 -2.7563 -2.3665 -2.3659 -2.2529 -2.2522 -2.0973 -2.0969 -2.0542 -2.0538 -1.5865 -1.5856 -1.5202 -1.5128 -1.2687 -1.2685 -1.2157 -1.2086 -0.9797 -0.9781 -0.9579 -0.9570 -0.5363 -0.5310 -0.5247 -0.5231 -0.4599 -0.4542 -0.4380 -0.4308 -0.3571 -0.3525 -0.3472 -0.3443 7.3408 7.3414 7.5367 7.5371 7.6848 7.6869 k = 0.4189 0.5895 0.2030 ( 7705 PWs) bands (ev): -20.7687 -20.7687 -20.6397 -20.6396 -18.8004 -18.7986 -18.7956 -18.7941 -18.4440 -18.4411 -18.2965 -18.2934 -17.9502 -17.9492 -17.9439 -17.9426 -12.3217 -12.3217 -12.3173 -12.3173 -8.7963 -8.7956 -8.5248 -8.5237 -7.0831 -7.0807 -7.0456 -7.0427 -5.9533 -5.9494 -5.5521 -5.5476 -4.9180 -4.9144 -4.8970 -4.8940 -3.8673 -3.8664 -3.8461 -3.8458 -3.7384 -3.7363 -3.6306 -3.6289 -2.9836 -2.9818 -2.7700 -2.7685 -2.3581 -2.3575 -2.2473 -2.2467 -2.0950 -2.0945 -2.0580 -2.0576 -1.5745 -1.5735 -1.5056 -1.4982 -1.2748 -1.2747 -1.2249 -1.2178 -0.9817 -0.9803 -0.9631 -0.9623 -0.5338 -0.5288 -0.5225 -0.5210 -0.4582 -0.4529 -0.4387 -0.4317 -0.3563 -0.3520 -0.3475 -0.3445 7.3540 7.3546 7.5267 7.5269 7.6669 7.6689 k = 0.4257 0.5990 0.1866 ( 7711 PWs) bands (ev): -20.7647 -20.7647 -20.6434 -20.6434 -18.8007 -18.7990 -18.7967 -18.7952 -18.4406 -18.4378 -18.3034 -18.3005 -17.9470 -17.9463 -17.9419 -17.9408 -12.3216 -12.3216 -12.3176 -12.3175 -8.7914 -8.7907 -8.5384 -8.5374 -7.0684 -7.0660 -7.0380 -7.0352 -5.9470 -5.9433 -5.5666 -5.5624 -4.9123 -4.9089 -4.8953 -4.8924 -3.8678 -3.8669 -3.8492 -3.8490 -3.7472 -3.7452 -3.6415 -3.6398 -2.9828 -2.9812 -2.7823 -2.7809 -2.3497 -2.3492 -2.2427 -2.2421 -2.0925 -2.0921 -2.0616 -2.0612 -1.5620 -1.5607 -1.4915 -1.4842 -1.2807 -1.2805 -1.2342 -1.2273 -0.9840 -0.9827 -0.9685 -0.9675 -0.5310 -0.5263 -0.5201 -0.5187 -0.4568 -0.4518 -0.4394 -0.4327 -0.3559 -0.3518 -0.3480 -0.3450 7.3683 7.3688 7.5172 7.5173 7.6505 7.6523 k = 0.4324 0.6085 0.1702 ( 7699 PWs) bands (ev): -20.7604 -20.7603 -20.6476 -20.6476 -18.8009 -18.7994 -18.7976 -18.7963 -18.4367 -18.4341 -18.3104 -18.3078 -17.9442 -17.9435 -17.9400 -17.9391 -12.3216 -12.3215 -12.3178 -12.3178 -8.7856 -8.7850 -8.5523 -8.5514 -7.0546 -7.0523 -7.0306 -7.0281 -5.9390 -5.9355 -5.5824 -5.5784 -4.9068 -4.9036 -4.8934 -4.8906 -3.8680 -3.8672 -3.8520 -3.8519 -3.7552 -3.7532 -3.6528 -3.6511 -2.9812 -2.9796 -2.7949 -2.7936 -2.3414 -2.3409 -2.2391 -2.2385 -2.0901 -2.0897 -2.0649 -2.0644 -1.5489 -1.5474 -1.4779 -1.4707 -1.2864 -1.2860 -1.2439 -1.2371 -0.9865 -0.9852 -0.9737 -0.9727 -0.5279 -0.5235 -0.5176 -0.5162 -0.4556 -0.4510 -0.4403 -0.4338 -0.3556 -0.3519 -0.3486 -0.3457 7.3834 7.3839 7.5083 7.5085 7.6358 7.6374 k = 0.4392 0.6180 0.1538 ( 7707 PWs) bands (ev): -20.7557 -20.7557 -20.6522 -20.6521 -18.8012 -18.7998 -18.7985 -18.7972 -18.4325 -18.4301 -18.3176 -18.3151 -17.9416 -17.9411 -17.9382 -17.9375 -12.3215 -12.3214 -12.3181 -12.3181 -8.7792 -8.7786 -8.5665 -8.5657 -7.0419 -7.0398 -7.0235 -7.0212 -5.9294 -5.9261 -5.5994 -5.5957 -4.9016 -4.8987 -4.8914 -4.8887 -3.8680 -3.8673 -3.8546 -3.8546 -3.7621 -3.7603 -3.6643 -3.6627 -2.9786 -2.9772 -2.8076 -2.8064 -2.3331 -2.3326 -2.2365 -2.2359 -2.0878 -2.0874 -2.0679 -2.0674 -1.5353 -1.5336 -1.4649 -1.4579 -1.2918 -1.2913 -1.2538 -1.2473 -0.9891 -0.9878 -0.9788 -0.9777 -0.5247 -0.5205 -0.5148 -0.5135 -0.4546 -0.4503 -0.4412 -0.4350 -0.3556 -0.3521 -0.3494 -0.3465 7.3989 7.3994 7.5003 7.5004 7.6230 7.6245 k = 0.4459 0.6276 0.1373 ( 7699 PWs) bands (ev): -20.7507 -20.7507 -20.6570 -20.6570 -18.8014 -18.8002 -18.7992 -18.7981 -18.4279 -18.4257 -18.3247 -18.3225 -17.9392 -17.9389 -17.9366 -17.9361 -12.3213 -12.3213 -12.3184 -12.3184 -8.7719 -8.7714 -8.5808 -8.5800 -7.0304 -7.0285 -7.0168 -7.0148 -5.9182 -5.9151 -5.6174 -5.6140 -4.8969 -4.8942 -4.8892 -4.8868 -3.8680 -3.8673 -3.8571 -3.8569 -3.7678 -3.7661 -3.6760 -3.6745 -2.9750 -2.9738 -2.8205 -2.8193 -2.3247 -2.3243 -2.2350 -2.2344 -2.0857 -2.0853 -2.0704 -2.0700 -1.5212 -1.5194 -1.4527 -1.4458 -1.2971 -1.2964 -1.2641 -1.2577 -0.9917 -0.9905 -0.9835 -0.9824 -0.5213 -0.5175 -0.5121 -0.5107 -0.4538 -0.4498 -0.4421 -0.4363 -0.3557 -0.3525 -0.3502 -0.3475 7.4143 7.4148 7.4931 7.4931 7.6127 7.6141 k = 0.4527 0.6371 0.1209 ( 7701 PWs) bands (ev): -20.7455 -20.7454 -20.6622 -20.6622 -18.8016 -18.8007 -18.7998 -18.7989 -18.4229 -18.4210 -18.3319 -18.3300 -17.9372 -17.9370 -17.9350 -17.9347 -12.3212 -12.3212 -12.3186 -12.3186 -8.7639 -8.7635 -8.5951 -8.5944 -7.0202 -7.0185 -7.0105 -7.0088 -5.9055 -5.9026 -5.6363 -5.6332 -4.8925 -4.8901 -4.8871 -4.8848 -3.8679 -3.8672 -3.8593 -3.8590 -3.7722 -3.7706 -3.6877 -3.6863 -2.9706 -2.9695 -2.8333 -2.8322 -2.3163 -2.3159 -2.2346 -2.2341 -2.0839 -2.0836 -2.0725 -2.0721 -1.5067 -1.5047 -1.4413 -1.4347 -1.3023 -1.3014 -1.2745 -1.2685 -0.9943 -0.9931 -0.9879 -0.9868 -0.5178 -0.5144 -0.5093 -0.5080 -0.4532 -0.4495 -0.4431 -0.4378 -0.3558 -0.3531 -0.3510 -0.3486 7.4291 7.4295 7.4868 7.4868 7.6054 7.6067 k = 0.4595 0.6466 0.1045 ( 7703 PWs) bands (ev): -20.7400 -20.7399 -20.6676 -20.6676 -18.8018 -18.8011 -18.8002 -18.7996 -18.4177 -18.4159 -18.3391 -18.3374 -17.9354 -17.9353 -17.9336 -17.9335 -12.3211 -12.3211 -12.3189 -12.3189 -8.7553 -8.7549 -8.6093 -8.6088 -7.0112 -7.0098 -7.0048 -7.0033 -5.8912 -5.8887 -5.6559 -5.6533 -4.8887 -4.8866 -4.8849 -4.8829 -3.8679 -3.8672 -3.8612 -3.8607 -3.7751 -3.7736 -3.6993 -3.6980 -2.9653 -2.9643 -2.8460 -2.8451 -2.3078 -2.3075 -2.2353 -2.2348 -2.0825 -2.0822 -2.0741 -2.0738 -1.4920 -1.4898 -1.4309 -1.4246 -1.3073 -1.3063 -1.2851 -1.2795 -0.9968 -0.9956 -0.9919 -0.9907 -0.5144 -0.5113 -0.5067 -0.5053 -0.4528 -0.4494 -0.4441 -0.4394 -0.3560 -0.3536 -0.3519 -0.3497 7.4423 7.4427 7.4815 7.4815 7.6020 7.6031 k = 0.4662 0.6561 0.0881 ( 7699 PWs) bands (ev): -20.7343 -20.7342 -20.6733 -20.6732 -18.8019 -18.8014 -18.8006 -18.8001 -18.4121 -18.4106 -18.3463 -18.3448 -17.9339 -17.9338 -17.9325 -17.9324 -12.3210 -12.3210 -12.3191 -12.3191 -8.7460 -8.7456 -8.6235 -8.6230 -7.0037 -7.0026 -6.9995 -6.9984 -5.8756 -5.8734 -5.6762 -5.6739 -4.8853 -4.8836 -4.8828 -4.8811 -3.8679 -3.8672 -3.8628 -3.8622 -3.7764 -3.7751 -3.7107 -3.7095 -2.9591 -2.9583 -2.8586 -2.8578 -2.2994 -2.2991 -2.2371 -2.2367 -2.0814 -2.0812 -2.0754 -2.0751 -1.4771 -1.4749 -1.4217 -1.4158 -1.3122 -1.3111 -1.2956 -1.2905 -0.9990 -0.9979 -0.9953 -0.9942 -0.5110 -0.5084 -0.5043 -0.5030 -0.4525 -0.4494 -0.4452 -0.4410 -0.3562 -0.3542 -0.3527 -0.3508 7.4531 7.4534 7.4772 7.4773 7.6032 7.6041 k = 0.4730 0.6656 0.0717 ( 7697 PWs) bands (ev): -20.7284 -20.7284 -20.6791 -20.6791 -18.8020 -18.8017 -18.8010 -18.8007 -18.4063 -18.4051 -18.3534 -18.3522 -17.9327 -17.9326 -17.9316 -17.9315 -12.3208 -12.3208 -12.3193 -12.3193 -8.7360 -8.7357 -8.6374 -8.6371 -6.9975 -6.9968 -6.9948 -6.9941 -5.8587 -5.8569 -5.6970 -5.6951 -4.8825 -4.8814 -4.8807 -4.8796 -3.8679 -3.8673 -3.8640 -3.8635 -3.7760 -3.7749 -3.7216 -3.7207 -2.9521 -2.9514 -2.8710 -2.8703 -2.2911 -2.2908 -2.2400 -2.2396 -2.0805 -2.0804 -2.0762 -2.0760 -1.4622 -1.4600 -1.4139 -1.4086 -1.3170 -1.3160 -1.3056 -1.3012 -1.0009 -1.0000 -0.9981 -0.9972 -0.5079 -0.5057 -0.5022 -0.5010 -0.4521 -0.4495 -0.4462 -0.4428 -0.3563 -0.3546 -0.3534 -0.3519 7.4609 7.4611 7.4740 7.4740 7.6096 7.6103 k = 0.4797 0.6751 0.0553 ( 7693 PWs) bands (ev): -20.7223 -20.7223 -20.6851 -20.6851 -18.8021 -18.8019 -18.8013 -18.8011 -18.4003 -18.3993 -18.3604 -18.3595 -17.9317 -17.9316 -17.9308 -17.9307 -12.3207 -12.3207 -12.3196 -12.3196 -8.7254 -8.7252 -8.6512 -8.6509 -6.9926 -6.9923 -6.9909 -6.9906 -5.8407 -5.8392 -5.7180 -5.7166 -4.8803 -4.8796 -4.8789 -4.8783 -3.8679 -3.8674 -3.8650 -3.8645 -3.7740 -3.7731 -3.7321 -3.7313 -2.9443 -2.9438 -2.8830 -2.8825 -2.2829 -2.2827 -2.2438 -2.2435 -2.0799 -2.0798 -2.0768 -2.0767 -1.4476 -1.4454 -1.4081 -1.4035 -1.3216 -1.3208 -1.3145 -1.3113 -1.0024 -1.0017 -1.0004 -0.9996 -0.5050 -0.5034 -0.5006 -0.4995 -0.4518 -0.4496 -0.4471 -0.4445 -0.3562 -0.3550 -0.3541 -0.3529 7.4656 7.4657 7.4717 7.4718 7.6211 7.6216 k = 0.4865 0.6846 0.0389 ( 7702 PWs) bands (ev): -20.7162 -20.7162 -20.6912 -20.6912 -18.8021 -18.8020 -18.8016 -18.8014 -18.3940 -18.3933 -18.3674 -18.3667 -17.9309 -17.9308 -17.9303 -17.9302 -12.3205 -12.3205 -12.3198 -12.3198 -8.7143 -8.7141 -8.6647 -8.6645 -6.9891 -6.9891 -6.9880 -6.9880 -5.8216 -5.8206 -5.7392 -5.7382 -4.8786 -4.8783 -4.8777 -4.8773 -3.8678 -3.8674 -3.8658 -3.8654 -3.7704 -3.7698 -3.7419 -3.7413 -2.9357 -2.9354 -2.8947 -2.8943 -2.2750 -2.2748 -2.2485 -2.2483 -2.0794 -2.0794 -2.0773 -2.0773 -1.4336 -1.4316 -1.4049 -1.4015 -1.3257 -1.3256 -1.3215 -1.3199 -1.0034 -1.0029 -1.0021 -1.0015 -0.5026 -0.5015 -0.4994 -0.4986 -0.4512 -0.4496 -0.4480 -0.4462 -0.3561 -0.3552 -0.3546 -0.3538 7.4679 7.4679 7.4704 7.4705 7.6369 7.6372 k = 0.4932 0.6941 0.0224 ( 7712 PWs) bands (ev): -20.7100 -20.7100 -20.6974 -20.6974 -18.8021 -18.8020 -18.8018 -18.8017 -18.3875 -18.3871 -18.3742 -18.3738 -17.9303 -17.9303 -17.9300 -17.9300 -12.3203 -12.3203 -12.3200 -12.3200 -8.7027 -8.7026 -8.6778 -8.6777 -6.9868 -6.9868 -6.9862 -6.9862 -5.8018 -5.8012 -5.7603 -5.7597 -4.8775 -4.8774 -4.8769 -4.8768 -3.8675 -3.8673 -3.8663 -3.8661 -3.7654 -3.7650 -3.7509 -3.7506 -2.9265 -2.9263 -2.9059 -2.9057 -2.2673 -2.2672 -2.2539 -2.2538 -2.0790 -2.0790 -2.0778 -2.0778 -1.4206 -1.4192 -1.4051 -1.4032 -1.3292 -1.3289 -1.3265 -1.3262 -1.0039 -1.0035 -1.0032 -1.0028 -0.5006 -0.5001 -0.4988 -0.4984 -0.4505 -0.4496 -0.4487 -0.4478 -0.3558 -0.3553 -0.3550 -0.3545 7.4688 7.4688 7.4698 7.4698 7.6560 7.6562 k = 0.5000 0.7036 0.0060 ( 7712 PWs) bands (ev): -20.7037 -20.7037 -20.7037 -20.7037 -18.8020 -18.8020 -18.8019 -18.8019 -18.3809 -18.3809 -18.3807 -18.3807 -17.9300 -17.9300 -17.9299 -17.9299 -12.3202 -12.3202 -12.3202 -12.3202 -8.6905 -8.6905 -8.6905 -8.6905 -6.9856 -6.9856 -6.9855 -6.9855 -5.7813 -5.7813 -5.7811 -5.7811 -4.8769 -4.8769 -4.8768 -4.8768 -3.8669 -3.8669 -3.8666 -3.8666 -3.7592 -3.7592 -3.7588 -3.7588 -2.9166 -2.9166 -2.9165 -2.9165 -2.2602 -2.2602 -2.2599 -2.2599 -2.0786 -2.0786 -2.0783 -2.0783 -1.4095 -1.4095 -1.4087 -1.4087 -1.3304 -1.3304 -1.3296 -1.3296 -1.0037 -1.0037 -1.0036 -1.0036 -0.4993 -0.4993 -0.4989 -0.4989 -0.4496 -0.4496 -0.4492 -0.4492 -0.3553 -0.3553 -0.3551 -0.3551 7.4693 7.4693 7.4695 7.4695 7.6775 7.6775 k = 0.5000 0.7036 0.0060 ( 7712 PWs) bands (ev): -20.7037 -20.7037 -20.7037 -20.7037 -18.8020 -18.8020 -18.8019 -18.8019 -18.3809 -18.3809 -18.3807 -18.3807 -17.9300 -17.9300 -17.9299 -17.9299 -12.3202 -12.3202 -12.3202 -12.3202 -8.6905 -8.6905 -8.6905 -8.6905 -6.9856 -6.9856 -6.9855 -6.9855 -5.7813 -5.7813 -5.7811 -5.7811 -4.8769 -4.8769 -4.8768 -4.8768 -3.8669 -3.8669 -3.8666 -3.8666 -3.7592 -3.7592 -3.7588 -3.7588 -2.9166 -2.9166 -2.9165 -2.9165 -2.2602 -2.2602 -2.2599 -2.2599 -2.0786 -2.0786 -2.0783 -2.0783 -1.4095 -1.4095 -1.4087 -1.4087 -1.3304 -1.3304 -1.3296 -1.3296 -1.0037 -1.0037 -1.0036 -1.0036 -0.4993 -0.4993 -0.4989 -0.4989 -0.4496 -0.4496 -0.4492 -0.4492 -0.3553 -0.3553 -0.3551 -0.3551 7.4693 7.4693 7.4695 7.4695 7.6775 7.6776 k = 0.5000 0.7036-0.0000 ( 7712 PWs) bands (ev): -20.7037 -20.7037 -20.7037 -20.7037 -18.8019 -18.8019 -18.8019 -18.8019 -18.3808 -18.3808 -18.3808 -18.3808 -17.9299 -17.9299 -17.9299 -17.9299 -12.3202 -12.3202 -12.3202 -12.3202 -8.6905 -8.6905 -8.6905 -8.6905 -6.9855 -6.9855 -6.9855 -6.9855 -5.7812 -5.7812 -5.7812 -5.7812 -4.8768 -4.8768 -4.8768 -4.8768 -3.8667 -3.8667 -3.8667 -3.8667 -3.7591 -3.7591 -3.7591 -3.7591 -2.9166 -2.9166 -2.9166 -2.9166 -2.2600 -2.2600 -2.2600 -2.2600 -2.0784 -2.0784 -2.0784 -2.0784 -1.4089 -1.4089 -1.4089 -1.4089 -1.3302 -1.3302 -1.3302 -1.3302 -1.0037 -1.0037 -1.0037 -1.0037 -0.4991 -0.4991 -0.4991 -0.4991 -0.4494 -0.4494 -0.4494 -0.4494 -0.3552 -0.3552 -0.3552 -0.3552 7.4694 7.4694 7.4694 7.4694 7.6775 7.6775 k = 0.0000 0.0000 0.6134 ( 7722 PWs) bands (ev): -20.7123 -20.7123 -20.7123 -20.7123 -18.7881 -18.7881 -18.7847 -18.7847 -18.3192 -18.3192 -18.3191 -18.3191 -18.0020 -18.0020 -17.9978 -17.9978 -12.3190 -12.3190 -12.3190 -12.3190 -8.5888 -8.5888 -8.5887 -8.5887 -7.2682 -7.2682 -7.2619 -7.2619 -5.6841 -5.6841 -5.6834 -5.6834 -4.9186 -4.9186 -4.9123 -4.9123 -3.8441 -3.8441 -3.8417 -3.8417 -3.5385 -3.5385 -3.5350 -3.5350 -2.6300 -2.6300 -2.6274 -2.6274 -2.5821 -2.5821 -2.5809 -2.5809 -2.0496 -2.0496 -2.0484 -2.0484 -1.7280 -1.7280 -1.7273 -1.7273 -1.1328 -1.1328 -1.1324 -1.1324 -0.9948 -0.9948 -0.9868 -0.9868 -0.5290 -0.5290 -0.5218 -0.5218 -0.4221 -0.4221 -0.4194 -0.4194 -0.3542 -0.3542 -0.3438 -0.3438 7.4536 7.4536 7.4546 7.4546 8.3961 8.3967 k = 0.0119 0.0168 0.6134 ( 7718 PWs) bands (ev): -20.7123 -20.7123 -20.7123 -20.7123 -18.7882 -18.7879 -18.7847 -18.7847 -18.3194 -18.3193 -18.3191 -18.3190 -18.0022 -18.0018 -17.9979 -17.9978 -12.3190 -12.3190 -12.3190 -12.3190 -8.5889 -8.5888 -8.5888 -8.5887 -7.2684 -7.2680 -7.2619 -7.2619 -5.6841 -5.6838 -5.6835 -5.6832 -4.9191 -4.9188 -4.9127 -4.9125 -3.8440 -3.8434 -3.8415 -3.8411 -3.5389 -3.5385 -3.5355 -3.5348 -2.6331 -2.6309 -2.6297 -2.6296 -2.5801 -2.5801 -2.5799 -2.5780 -2.0498 -2.0491 -2.0485 -2.0478 -1.7283 -1.7281 -1.7280 -1.7270 -1.1326 -1.1325 -1.1324 -1.1318 -0.9949 -0.9944 -0.9867 -0.9865 -0.5294 -0.5283 -0.5217 -0.5217 -0.4229 -0.4219 -0.4198 -0.4196 -0.3546 -0.3542 -0.3441 -0.3441 7.4541 7.4542 7.4550 7.4552 8.3962 8.3980 k = 0.0238 0.0335 0.6134 ( 7718 PWs) bands (ev): -20.7123 -20.7123 -20.7123 -20.7123 -18.7883 -18.7878 -18.7847 -18.7847 -18.3196 -18.3195 -18.3189 -18.3188 -18.0023 -18.0016 -17.9979 -17.9978 -12.3190 -12.3190 -12.3190 -12.3190 -8.5890 -8.5889 -8.5889 -8.5887 -7.2685 -7.2677 -7.2619 -7.2618 -5.6839 -5.6834 -5.6834 -5.6827 -4.9202 -4.9196 -4.9137 -4.9134 -3.8431 -3.8418 -3.8404 -3.8398 -3.5396 -3.5388 -3.5364 -3.5350 -2.6391 -2.6353 -2.6353 -2.6353 -2.5759 -2.5748 -2.5745 -2.5724 -2.0496 -2.0483 -2.0482 -2.0469 -1.7291 -1.7290 -1.7287 -1.7271 -1.1319 -1.1318 -1.1314 -1.1305 -0.9945 -0.9935 -0.9862 -0.9858 -0.5296 -0.5273 -0.5214 -0.5213 -0.4243 -0.4222 -0.4209 -0.4203 -0.3556 -0.3548 -0.3450 -0.3449 7.4557 7.4558 7.4566 7.4568 8.3945 8.3975 k = 0.0357 0.0503 0.6134 ( 7702 PWs) bands (ev): -20.7123 -20.7123 -20.7123 -20.7123 -18.7885 -18.7877 -18.7848 -18.7847 -18.3197 -18.3197 -18.3187 -18.3186 -18.0025 -18.0014 -17.9979 -17.9978 -12.3189 -12.3189 -12.3189 -12.3189 -8.5892 -8.5891 -8.5890 -8.5889 -7.2686 -7.2673 -7.2617 -7.2617 -5.6836 -5.6830 -5.6828 -5.6821 -4.9220 -4.9209 -4.9154 -4.9149 -3.8415 -3.8395 -3.8386 -3.8376 -3.5406 -3.5395 -3.5376 -3.5355 -2.6466 -2.6429 -2.6429 -2.6420 -2.5696 -2.5677 -2.5674 -2.5654 -2.0490 -2.0477 -2.0470 -2.0457 -1.7305 -1.7301 -1.7296 -1.7277 -1.1307 -1.1303 -1.1299 -1.1286 -0.9938 -0.9922 -0.9853 -0.9847 -0.5294 -0.5260 -0.5208 -0.5206 -0.4262 -0.4231 -0.4224 -0.4216 -0.3571 -0.3560 -0.3465 -0.3463 7.4583 7.4584 7.4591 7.4595 8.3919 8.3964 k = 0.0476 0.0670 0.6134 ( 7704 PWs) bands (ev): -20.7123 -20.7123 -20.7123 -20.7123 -18.7887 -18.7876 -18.7848 -18.7847 -18.3199 -18.3198 -18.3185 -18.3184 -18.0027 -18.0013 -17.9979 -17.9978 -12.3188 -12.3188 -12.3188 -12.3188 -8.5894 -8.5893 -8.5891 -8.5890 -7.2686 -7.2669 -7.2616 -7.2615 -5.6830 -5.6825 -5.6820 -5.6813 -4.9243 -4.9229 -4.9176 -4.9169 -3.8391 -3.8365 -3.8361 -3.8348 -3.5420 -3.5405 -3.5391 -3.5363 -2.6550 -2.6515 -2.6515 -2.6499 -2.5623 -2.5600 -2.5595 -2.5578 -2.0480 -2.0468 -2.0454 -2.0441 -1.7323 -1.7317 -1.7310 -1.7286 -1.1289 -1.1283 -1.1277 -1.1261 -0.9927 -0.9906 -0.9841 -0.9833 -0.5290 -0.5245 -0.5200 -0.5197 -0.4287 -0.4246 -0.4245 -0.4235 -0.3591 -0.3576 -0.3484 -0.3483 7.4619 7.4621 7.4626 7.4632 8.3906 8.3930 k = 0.0595 0.0838 0.6134 ( 7702 PWs) bands (ev): -20.7123 -20.7123 -20.7122 -20.7122 -18.7889 -18.7875 -18.7849 -18.7848 -18.3201 -18.3200 -18.3183 -18.3183 -18.0028 -18.0011 -17.9980 -17.9978 -12.3187 -12.3187 -12.3187 -12.3187 -8.5897 -8.5896 -8.5893 -8.5892 -7.2686 -7.2664 -7.2614 -7.2613 -5.6823 -5.6819 -5.6810 -5.6803 -4.9271 -4.9253 -4.9203 -4.9195 -3.8360 -3.8329 -3.8328 -3.8312 -3.5436 -3.5418 -3.5410 -3.5374 -2.6637 -2.6604 -2.6604 -2.6584 -2.5546 -2.5521 -2.5515 -2.5500 -2.0466 -2.0455 -2.0435 -2.0422 -1.7344 -1.7335 -1.7327 -1.7299 -1.1266 -1.1257 -1.1251 -1.1230 -0.9913 -0.9886 -0.9826 -0.9815 -0.5284 -0.5227 -0.5189 -0.5185 -0.4316 -0.4271 -0.4265 -0.4258 -0.3616 -0.3598 -0.3509 -0.3508 7.4665 7.4667 7.4671 7.4679 8.3853 8.3923 k = 0.0714 0.1005 0.6134 ( 7706 PWs) bands (ev): -20.7123 -20.7123 -20.7122 -20.7122 -18.7890 -18.7874 -18.7850 -18.7849 -18.3202 -18.3201 -18.3182 -18.3181 -18.0030 -18.0009 -17.9980 -17.9978 -12.3185 -12.3185 -12.3185 -12.3185 -8.5900 -8.5899 -8.5896 -8.5895 -7.2685 -7.2659 -7.2612 -7.2610 -5.6814 -5.6810 -5.6799 -5.6792 -4.9303 -4.9283 -4.9235 -4.9226 -3.8322 -3.8290 -3.8284 -3.8270 -3.5456 -3.5434 -3.5431 -3.5389 -2.6725 -2.6695 -2.6694 -2.6671 -2.5470 -2.5444 -2.5436 -2.5424 -2.0449 -2.0438 -2.0413 -2.0399 -1.7367 -1.7357 -1.7348 -1.7315 -1.1237 -1.1226 -1.1219 -1.1194 -0.9897 -0.9864 -0.9809 -0.9795 -0.5276 -0.5206 -0.5177 -0.5172 -0.4350 -0.4301 -0.4289 -0.4287 -0.3645 -0.3624 -0.3539 -0.3538 7.4719 7.4721 7.4725 7.4734 8.3777 8.3870 k = 0.0833 0.1173 0.6134 ( 7706 PWs) bands (ev): -20.7122 -20.7122 -20.7122 -20.7122 -18.7892 -18.7874 -18.7851 -18.7849 -18.3203 -18.3202 -18.3180 -18.3179 -18.0031 -18.0007 -17.9980 -17.9978 -12.3183 -12.3183 -12.3183 -12.3183 -8.5903 -8.5903 -8.5899 -8.5897 -7.2684 -7.2654 -7.2609 -7.2607 -5.6804 -5.6800 -5.6786 -5.6779 -4.9340 -4.9316 -4.9272 -4.9261 -3.8279 -3.8246 -3.8235 -3.8222 -3.5478 -3.5455 -3.5453 -3.5405 -2.6813 -2.6784 -2.6784 -2.6758 -2.5396 -2.5369 -2.5360 -2.5351 -2.0428 -2.0419 -2.0387 -2.0373 -1.7393 -1.7382 -1.7371 -1.7334 -1.1203 -1.1189 -1.1184 -1.1153 -0.9878 -0.9840 -0.9789 -0.9773 -0.5265 -0.5183 -0.5163 -0.5156 -0.4387 -0.4334 -0.4319 -0.4316 -0.3678 -0.3654 -0.3574 -0.3572 7.4780 7.4784 7.4785 7.4796 8.3715 8.3827 k = 0.0952 0.1340 0.6134 ( 7712 PWs) bands (ev): -20.7122 -20.7122 -20.7122 -20.7122 -18.7894 -18.7873 -18.7852 -18.7850 -18.3204 -18.3204 -18.3178 -18.3177 -18.0032 -18.0005 -17.9980 -17.9978 -12.3182 -12.3182 -12.3181 -12.3181 -8.5907 -8.5906 -8.5902 -8.5901 -7.2682 -7.2648 -7.2607 -7.2604 -5.6793 -5.6790 -5.6773 -5.6766 -4.9380 -4.9353 -4.9311 -4.9299 -3.8231 -3.8197 -3.8181 -3.8169 -3.5503 -3.5481 -3.5474 -3.5425 -2.6899 -2.6873 -2.6872 -2.6843 -2.5325 -2.5299 -2.5288 -2.5281 -2.0404 -2.0396 -2.0359 -2.0345 -1.7420 -1.7408 -1.7396 -1.7356 -1.1165 -1.1147 -1.1144 -1.1108 -0.9859 -0.9814 -0.9769 -0.9750 -0.5252 -0.5157 -0.5147 -0.5138 -0.4427 -0.4370 -0.4355 -0.4347 -0.3715 -0.3689 -0.3614 -0.3610 7.4848 7.4853 7.4853 7.4865 8.3638 8.3765 k = 0.1071 0.1508 0.6134 ( 7708 PWs) bands (ev): -20.7122 -20.7122 -20.7122 -20.7121 -18.7896 -18.7872 -18.7853 -18.7851 -18.3206 -18.3205 -18.3177 -18.3176 -18.0034 -18.0003 -17.9981 -17.9978 -12.3180 -12.3180 -12.3179 -12.3179 -8.5911 -8.5910 -8.5906 -8.5904 -7.2680 -7.2642 -7.2604 -7.2600 -5.6781 -5.6778 -5.6758 -5.6751 -4.9422 -4.9392 -4.9353 -4.9339 -3.8179 -3.8144 -3.8123 -3.8113 -3.5529 -3.5509 -3.5497 -3.5446 -2.6982 -2.6958 -2.6957 -2.6927 -2.5259 -2.5233 -2.5221 -2.5216 -2.0377 -2.0370 -2.0329 -2.0315 -1.7449 -1.7436 -1.7424 -1.7380 -1.1123 -1.1102 -1.1100 -1.1058 -0.9839 -0.9788 -0.9749 -0.9727 -0.5237 -0.5130 -0.5130 -0.5119 -0.4468 -0.4407 -0.4394 -0.4380 -0.3755 -0.3727 -0.3659 -0.3652 7.4922 7.4926 7.4927 7.4940 8.3568 8.3696 k = 0.1190 0.1675 0.6134 ( 7708 PWs) bands (ev): -20.7122 -20.7122 -20.7121 -20.7121 -18.7898 -18.7872 -18.7854 -18.7853 -18.3207 -18.3206 -18.3175 -18.3174 -18.0035 -18.0001 -17.9981 -17.9978 -12.3178 -12.3178 -12.3177 -12.3177 -8.5915 -8.5915 -8.5909 -8.5908 -7.2678 -7.2636 -7.2601 -7.2597 -5.6768 -5.6765 -5.6743 -5.6736 -4.9466 -4.9432 -4.9396 -4.9381 -3.8124 -3.8089 -3.8062 -3.8053 -3.5558 -3.5539 -3.5521 -3.5469 -2.7062 -2.7040 -2.7039 -2.7006 -2.5197 -2.5173 -2.5159 -2.5156 -2.0348 -2.0342 -2.0297 -2.0282 -1.7478 -1.7465 -1.7452 -1.7405 -1.1077 -1.1054 -1.1053 -1.1006 -0.9820 -0.9763 -0.9729 -0.9704 -0.5219 -0.5112 -0.5100 -0.5097 -0.4510 -0.4446 -0.4434 -0.4415 -0.3797 -0.3768 -0.3707 -0.3696 7.4999 7.5003 7.5006 7.5019 8.3475 8.3615 k = 0.1310 0.1843 0.6134 ( 7702 PWs) bands (ev): -20.7122 -20.7121 -20.7121 -20.7121 -18.7899 -18.7871 -18.7855 -18.7854 -18.3208 -18.3207 -18.3173 -18.3173 -18.0036 -17.9999 -17.9981 -17.9978 -12.3176 -12.3175 -12.3175 -12.3175 -8.5919 -8.5919 -8.5913 -8.5911 -7.2676 -7.2631 -7.2598 -7.2593 -5.6755 -5.6752 -5.6727 -5.6721 -4.9510 -4.9473 -4.9440 -4.9424 -3.8067 -3.8031 -3.7999 -3.7991 -3.5587 -3.5570 -3.5547 -3.5493 -2.7137 -2.7118 -2.7116 -2.7082 -2.5142 -2.5118 -2.5103 -2.5102 -2.0317 -2.0313 -2.0263 -2.0249 -1.7507 -1.7495 -1.7481 -1.7432 -1.1030 -1.1006 -1.1001 -1.0951 -0.9802 -0.9738 -0.9710 -0.9682 -0.5200 -0.5093 -0.5074 -0.5069 -0.4552 -0.4484 -0.4476 -0.4450 -0.3840 -0.3811 -0.3758 -0.3742 7.5079 7.5082 7.5087 7.5100 8.3387 8.3533 k = 0.1429 0.2010 0.6134 ( 7706 PWs) bands (ev): -20.7121 -20.7121 -20.7121 -20.7121 -18.7901 -18.7871 -18.7857 -18.7855 -18.3208 -18.3208 -18.3172 -18.3172 -18.0037 -17.9998 -17.9981 -17.9978 -12.3174 -12.3173 -12.3173 -12.3173 -8.5923 -8.5923 -8.5916 -8.5915 -7.2673 -7.2625 -7.2595 -7.2590 -5.6741 -5.6739 -5.6712 -5.6706 -4.9554 -4.9513 -4.9484 -4.9466 -3.8010 -3.7973 -3.7935 -3.7929 -3.5617 -3.5602 -3.5574 -3.5518 -2.7207 -2.7190 -2.7188 -2.7153 -2.5092 -2.5069 -2.5053 -2.5053 -2.0285 -2.0282 -2.0229 -2.0215 -1.7536 -1.7524 -1.7510 -1.7458 -1.0981 -1.0957 -1.0947 -1.0894 -0.9786 -0.9715 -0.9693 -0.9662 -0.5179 -0.5074 -0.5050 -0.5036 -0.4593 -0.4522 -0.4519 -0.4487 -0.3884 -0.3855 -0.3812 -0.3790 7.5159 7.5162 7.5169 7.5182 8.3301 8.3444 k = 0.1548 0.2178 0.6134 ( 7700 PWs) bands (ev): -20.7121 -20.7121 -20.7120 -20.7120 -18.7903 -18.7871 -18.7858 -18.7856 -18.3209 -18.3209 -18.3171 -18.3170 -18.0037 -17.9996 -17.9981 -17.9979 -12.3172 -12.3171 -12.3171 -12.3171 -8.5927 -8.5927 -8.5920 -8.5918 -7.2671 -7.2619 -7.2593 -7.2586 -5.6728 -5.6727 -5.6697 -5.6691 -4.9596 -4.9552 -4.9526 -4.9507 -3.7953 -3.7916 -3.7873 -3.7867 -3.5648 -3.5634 -3.5600 -3.5543 -2.7272 -2.7257 -2.7255 -2.7218 -2.5047 -2.5027 -2.5010 -2.5008 -2.0253 -2.0251 -2.0195 -2.0182 -1.7563 -1.7553 -1.7539 -1.7484 -1.0931 -1.0908 -1.0892 -1.0837 -0.9773 -0.9694 -0.9679 -0.9645 -0.5156 -0.5054 -0.5024 -0.5003 -0.4631 -0.4562 -0.4557 -0.4523 -0.3927 -0.3900 -0.3867 -0.3838 7.5238 7.5240 7.5250 7.5262 8.3198 8.3397 k = 0.1667 0.2345 0.6134 ( 7706 PWs) bands (ev): -20.7121 -20.7121 -20.7120 -20.7120 -18.7904 -18.7870 -18.7859 -18.7858 -18.3210 -18.3209 -18.3170 -18.3169 -18.0038 -17.9994 -17.9982 -17.9979 -12.3170 -12.3170 -12.3169 -12.3169 -8.5931 -8.5930 -8.5923 -8.5921 -7.2669 -7.2614 -7.2591 -7.2583 -5.6716 -5.6715 -5.6683 -5.6677 -4.9636 -4.9589 -4.9566 -4.9545 -3.7897 -3.7860 -3.7812 -3.7807 -3.5678 -3.5666 -3.5627 -3.5567 -2.7331 -2.7318 -2.7315 -2.7278 -2.5009 -2.4990 -2.4972 -2.4970 -2.0221 -2.0221 -2.0162 -2.0150 -1.7589 -1.7580 -1.7566 -1.7509 -1.0882 -1.0859 -1.0838 -1.0781 -0.9763 -0.9675 -0.9668 -0.9630 -0.5131 -0.5034 -0.4997 -0.4970 -0.4665 -0.4605 -0.4591 -0.4558 -0.3969 -0.3945 -0.3923 -0.3885 7.5315 7.5316 7.5328 7.5340 8.3099 8.3261 k = 0.1786 0.2513 0.6134 ( 7696 PWs) bands (ev): -20.7121 -20.7121 -20.7120 -20.7120 -18.7905 -18.7870 -18.7859 -18.7859 -18.3210 -18.3210 -18.3169 -18.3168 -18.0039 -17.9993 -17.9982 -17.9980 -12.3168 -12.3168 -12.3168 -12.3168 -8.5934 -8.5934 -8.5926 -8.5924 -7.2667 -7.2608 -7.2589 -7.2580 -5.6704 -5.6703 -5.6670 -5.6664 -4.9673 -4.9623 -4.9603 -4.9581 -3.7846 -3.7808 -3.7755 -3.7751 -3.5706 -3.5696 -3.5652 -3.5591 -2.7383 -2.7372 -2.7368 -2.7330 -2.4976 -2.4958 -2.4940 -2.4938 -2.0193 -2.0191 -2.0131 -2.0120 -1.7613 -1.7605 -1.7591 -1.7533 -1.0835 -1.0814 -1.0786 -1.0728 -0.9755 -0.9660 -0.9660 -0.9619 -0.5103 -0.5015 -0.4969 -0.4939 -0.4693 -0.4648 -0.4620 -0.4593 -0.4007 -0.3987 -0.3979 -0.3932 7.5386 7.5387 7.5401 7.5413 8.3015 8.3176 k = 0.1905 0.2680 0.6134 ( 7692 PWs) bands (ev): -20.7120 -20.7120 -20.7120 -20.7120 -18.7907 -18.7869 -18.7860 -18.7860 -18.3211 -18.3210 -18.3168 -18.3167 -18.0039 -17.9991 -17.9982 -17.9980 -12.3166 -12.3166 -12.3166 -12.3166 -8.5937 -8.5937 -8.5929 -8.5927 -7.2665 -7.2604 -7.2587 -7.2578 -5.6694 -5.6693 -5.6658 -5.6653 -4.9705 -4.9653 -4.9636 -4.9613 -3.7799 -3.7761 -3.7703 -3.7700 -3.5733 -3.5724 -3.5675 -3.5613 -2.7428 -2.7419 -2.7415 -2.7376 -2.4949 -2.4932 -2.4914 -2.4911 -2.0167 -2.0164 -2.0102 -2.0092 -1.7634 -1.7627 -1.7613 -1.7554 -1.0791 -1.0772 -1.0737 -1.0678 -0.9751 -0.9655 -0.9647 -0.9611 -0.5073 -0.4997 -0.4940 -0.4913 -0.4713 -0.4691 -0.4646 -0.4627 -0.4041 -0.4033 -0.4027 -0.3975 7.5451 7.5451 7.5467 7.5479 8.2927 8.3116 k = 0.2024 0.2848 0.6134 ( 7700 PWs) bands (ev): -20.7120 -20.7120 -20.7120 -20.7120 -18.7908 -18.7869 -18.7861 -18.7861 -18.3211 -18.3211 -18.3167 -18.3167 -18.0040 -17.9990 -17.9982 -17.9981 -12.3165 -12.3165 -12.3165 -12.3165 -8.5939 -8.5939 -8.5931 -8.5929 -7.2663 -7.2600 -7.2586 -7.2576 -5.6685 -5.6684 -5.6648 -5.6643 -4.9733 -4.9678 -4.9664 -4.9639 -3.7758 -3.7720 -3.7657 -3.7655 -3.5756 -3.5749 -3.5696 -3.5632 -2.7465 -2.7458 -2.7453 -2.7414 -2.4927 -2.4912 -2.4892 -2.4890 -2.0144 -2.0140 -2.0077 -2.0069 -1.7652 -1.7647 -1.7632 -1.7572 -1.0751 -1.0736 -1.0693 -1.0633 -0.9749 -0.9653 -0.9636 -0.9607 -0.5042 -0.4981 -0.4911 -0.4894 -0.4733 -0.4721 -0.4668 -0.4660 -0.4084 -0.4070 -0.4062 -0.4014 7.5506 7.5507 7.5525 7.5536 8.2860 8.3018 k = 0.2143 0.3016 0.6134 ( 7692 PWs) bands (ev): -20.7120 -20.7120 -20.7120 -20.7119 -18.7908 -18.7868 -18.7862 -18.7861 -18.3211 -18.3211 -18.3166 -18.3166 -18.0040 -17.9988 -17.9982 -17.9982 -12.3164 -12.3164 -12.3164 -12.3164 -8.5941 -8.5941 -8.5933 -8.5931 -7.2662 -7.2596 -7.2586 -7.2574 -5.6678 -5.6677 -5.6640 -5.6635 -4.9755 -4.9698 -4.9688 -4.9661 -3.7724 -3.7687 -3.7620 -3.7618 -3.5775 -3.5770 -3.5713 -3.5648 -2.7495 -2.7489 -2.7484 -2.7444 -2.4911 -2.4896 -2.4876 -2.4874 -2.0126 -2.0120 -2.0057 -2.0050 -1.7667 -1.7662 -1.7648 -1.7587 -1.0718 -1.0706 -1.0656 -1.0596 -0.9749 -0.9652 -0.9628 -0.9605 -0.5008 -0.4968 -0.4885 -0.4880 -0.4774 -0.4719 -0.4692 -0.4685 -0.4129 -0.4092 -0.4092 -0.4048 7.5552 7.5552 7.5571 7.5582 8.2803 8.2996 k = 0.2262 0.3183 0.6134 ( 7686 PWs) bands (ev): -20.7120 -20.7120 -20.7119 -20.7119 -18.7909 -18.7867 -18.7864 -18.7862 -18.3212 -18.3211 -18.3166 -18.3165 -18.0041 -17.9987 -17.9983 -17.9982 -12.3163 -12.3163 -12.3163 -12.3163 -8.5943 -8.5943 -8.5934 -8.5933 -7.2661 -7.2593 -7.2586 -7.2572 -5.6672 -5.6672 -5.6634 -5.6629 -4.9771 -4.9712 -4.9705 -4.9677 -3.7699 -3.7662 -3.7592 -3.7591 -3.5789 -3.5786 -3.5725 -3.5660 -2.7516 -2.7512 -2.7505 -2.7465 -2.4899 -2.4885 -2.4864 -2.4863 -2.0112 -2.0106 -2.0041 -2.0037 -1.7677 -1.7674 -1.7659 -1.7598 -1.0693 -1.0684 -1.0628 -1.0568 -0.9750 -0.9652 -0.9621 -0.9605 -0.4972 -0.4957 -0.4883 -0.4851 -0.4813 -0.4724 -0.4709 -0.4697 -0.4164 -0.4114 -0.4106 -0.4076 7.5585 7.5585 7.5606 7.5616 8.2756 8.2930 k = 0.2381 0.3351 0.6134 ( 7674 PWs) bands (ev): -20.7120 -20.7120 -20.7119 -20.7119 -18.7909 -18.7866 -18.7865 -18.7862 -18.3212 -18.3212 -18.3166 -18.3165 -18.0041 -17.9986 -17.9983 -17.9982 -12.3163 -12.3163 -12.3163 -12.3163 -8.5944 -8.5943 -8.5935 -8.5933 -7.2660 -7.2590 -7.2587 -7.2572 -5.6669 -5.6669 -5.6630 -5.6626 -4.9781 -4.9719 -4.9716 -4.9686 -3.7684 -3.7647 -3.7575 -3.7574 -3.5798 -3.5796 -3.5733 -3.5668 -2.7528 -2.7526 -2.7519 -2.7479 -2.4892 -2.4878 -2.4857 -2.4856 -2.0103 -2.0097 -2.0031 -2.0029 -1.7683 -1.7682 -1.7666 -1.7605 -1.0676 -1.0672 -1.0611 -1.0551 -0.9751 -0.9653 -0.9615 -0.9607 -0.4951 -0.4935 -0.4883 -0.4859 -0.4815 -0.4755 -0.4704 -0.4699 -0.4188 -0.4128 -0.4111 -0.4096 7.5606 7.5606 7.5627 7.5637 8.2729 8.2912 k = 0.2500 0.3518 0.6134 ( 7672 PWs) bands (ev): -20.7120 -20.7120 -20.7119 -20.7119 -18.7909 -18.7866 -18.7866 -18.7862 -18.3212 -18.3212 -18.3165 -18.3165 -18.0041 -17.9985 -17.9985 -17.9982 -12.3163 -12.3163 -12.3163 -12.3163 -8.5944 -8.5944 -8.5936 -8.5934 -7.2660 -7.2588 -7.2588 -7.2571 -5.6668 -5.6668 -5.6629 -5.6624 -4.9785 -4.9721 -4.9721 -4.9690 -3.7679 -3.7642 -3.7569 -3.7569 -3.5800 -3.5800 -3.5736 -3.5670 -2.7531 -2.7531 -2.7523 -2.7483 -2.4889 -2.4876 -2.4854 -2.4854 -2.0100 -2.0094 -2.0027 -2.0027 -1.7685 -1.7684 -1.7668 -1.7607 -1.0669 -1.0669 -1.0605 -1.0545 -0.9752 -0.9653 -0.9611 -0.9611 -0.4949 -0.4897 -0.4897 -0.4884 -0.4786 -0.4786 -0.4707 -0.4695 -0.4196 -0.4133 -0.4108 -0.4108 7.5613 7.5613 7.5634 7.5644 8.2730 8.2908 Writing output data file PH2NO4.save init_run : 1.09s CPU 0.68s WALL ( 1 calls) electrons : 1203.00s CPU 1093.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.01s WALL ( 1 calls) potinit : 0.18s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 1202.98s CPU 1093.31s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.18s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.44s CPU 0.44s WALL ( 268 calls) cegterg : 1118.93s CPU 1046.07s WALL ( 1175 calls) Called by sum_band: Called by *egterg: h_psi : 577.94s CPU 476.54s WALL ( 23204 calls) s_psi : 20.40s CPU 18.24s WALL ( 23204 calls) g_psi : 0.56s CPU 0.51s WALL ( 21761 calls) cdiaghg : 512.32s CPU 508.33s WALL ( 22029 calls) cegterg:over : 34.52s CPU 34.50s WALL ( 21761 calls) cegterg:upda : 23.67s CPU 24.75s WALL ( 21761 calls) cegterg:last : 10.05s CPU 10.18s WALL ( 1979 calls) cdiaghg:chol : 19.02s CPU 19.54s WALL ( 22029 calls) cdiaghg:inve : 14.04s CPU 14.50s WALL ( 22029 calls) cdiaghg:para : 30.11s CPU 31.02s WALL ( 44058 calls) Called by h_psi: h_psi:vloc : 528.73s CPU 430.51s WALL ( 23204 calls) h_psi:vnl : 48.33s CPU 45.33s WALL ( 23204 calls) add_vuspsi : 23.53s CPU 21.84s WALL ( 23204 calls) General routines calbec : 24.73s CPU 23.41s WALL ( 23204 calls) fft : 0.09s CPU 0.05s WALL ( 19 calls) ffts : 0.04s CPU 0.02s WALL ( 4 calls) fftw : 516.53s CPU 419.06s WALL ( 1918432 calls) interpolate : 0.05s CPU 0.03s WALL ( 4 calls) davcio : 0.28s CPU 1.21s WALL ( 536 calls) Parallel routines fft_scatter : 293.55s CPU 279.72s WALL ( 1918455 calls) PWSCF : 21m 1.21s CPU 19m30.50s WALL This run was terminated on: 11:14:19 24Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=