Program PWSCF v.5.4.0 starts on 28Mar2017 at 23:48:21 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & 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: ./HfIN.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized 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 48 29 8 1117 508 82 Max 49 30 9 1121 530 85 Sum 3519 2125 627 80591 37443 6017 bravais-lattice index = 14 lattice parameter (alat) = 20.1407 a.u. unit-cell volume = 830.5575 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 20.140658 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.940098 celldm(5)= 0.940098 celldm(6)= 0.940098 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.940098 0.340903 0.000000 ) a(3) = ( 0.940098 0.165189 0.298207 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.757672 -1.624918 ) b(2) = ( 0.000000 2.933386 -1.624918 ) b(3) = ( 0.000000 0.000000 3.353374 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) I 7.00 126.90450 I( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 313 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0100000 -0.0275767 -0.0162492), wk = 0.0031949 k( 3) = ( 0.0200000 -0.0551534 -0.0324984), wk = 0.0031949 k( 4) = ( 0.0300000 -0.0827302 -0.0487475), wk = 0.0031949 k( 5) = ( 0.0400000 -0.1103069 -0.0649967), wk = 0.0031949 k( 6) = ( 0.0500000 -0.1378836 -0.0812459), wk = 0.0031949 k( 7) = ( 0.0600000 -0.1654603 -0.0974951), wk = 0.0031949 k( 8) = ( 0.0700000 -0.1930370 -0.1137443), wk = 0.0031949 k( 9) = ( 0.0800000 -0.2206138 -0.1299935), wk = 0.0031949 k( 10) = ( 0.0900000 -0.2481905 -0.1462426), wk = 0.0031949 k( 11) = ( 0.1000000 -0.2757672 -0.1624918), wk = 0.0031949 k( 12) = ( 0.1100000 -0.3033439 -0.1787410), wk = 0.0031949 k( 13) = ( 0.1200000 -0.3309206 -0.1949902), wk = 0.0031949 k( 14) = ( 0.1300000 -0.3584974 -0.2112394), wk = 0.0031949 k( 15) = ( 0.1400000 -0.3860741 -0.2274886), wk = 0.0031949 k( 16) = ( 0.1500000 -0.4136508 -0.2437377), wk = 0.0031949 k( 17) = ( 0.1600000 -0.4412275 -0.2599869), wk = 0.0031949 k( 18) = ( 0.1700000 -0.4688043 -0.2762361), wk = 0.0031949 k( 19) = ( 0.1800000 -0.4963810 -0.2924853), wk = 0.0031949 k( 20) = ( 0.1900000 -0.5239577 -0.3087345), wk = 0.0031949 k( 21) = ( 0.2000000 -0.5515344 -0.3249837), wk = 0.0031949 k( 22) = ( 0.2100000 -0.5791111 -0.3412328), wk = 0.0031949 k( 23) = ( 0.2200000 -0.6066879 -0.3574820), wk = 0.0031949 k( 24) = ( 0.2300000 -0.6342646 -0.3737312), wk = 0.0031949 k( 25) = ( 0.2400000 -0.6618413 -0.3899804), wk = 0.0031949 k( 26) = ( 0.2500000 -0.6894180 -0.4062296), wk = 0.0031949 k( 27) = ( 0.2600000 -0.7169947 -0.4224788), wk = 0.0031949 k( 28) = ( 0.2700000 -0.7445715 -0.4387279), wk = 0.0031949 k( 29) = ( 0.2800000 -0.7721482 -0.4549771), wk = 0.0031949 k( 30) = ( 0.2900000 -0.7997249 -0.4712263), wk = 0.0031949 k( 31) = ( 0.3000000 -0.8273016 -0.4874755), wk = 0.0031949 k( 32) = ( 0.3100000 -0.8548783 -0.5037247), wk = 0.0031949 k( 33) = ( 0.3200000 -0.8824551 -0.5199738), wk = 0.0031949 k( 34) = ( 0.3300000 -0.9100318 -0.5362230), wk = 0.0031949 k( 35) = ( 0.3400000 -0.9376085 -0.5524722), wk = 0.0031949 k( 36) = ( 0.3500000 -0.9651852 -0.5687214), wk = 0.0031949 k( 37) = ( 0.3600000 -0.9927619 -0.5849706), wk = 0.0031949 k( 38) = ( 0.3700000 -1.0203387 -0.6012198), wk = 0.0031949 k( 39) = ( 0.3800000 -1.0479154 -0.6174689), wk = 0.0031949 k( 40) = ( 0.3900000 -1.0754921 -0.6337181), wk = 0.0031949 k( 41) = ( 0.4000000 -1.1030688 -0.6499673), wk = 0.0031949 k( 42) = ( 0.4100000 -1.1306455 -0.6662165), wk = 0.0031949 k( 43) = ( 0.4200000 -1.1582223 -0.6824657), wk = 0.0031949 k( 44) = ( 0.4300000 -1.1857990 -0.6987149), wk = 0.0031949 k( 45) = ( 0.4400000 -1.2133757 -0.7149640), wk = 0.0031949 k( 46) = ( 0.4500000 -1.2409524 -0.7312132), wk = 0.0031949 k( 47) = ( 0.4600000 -1.2685292 -0.7474624), wk = 0.0031949 k( 48) = ( 0.4700000 -1.2961059 -0.7637116), wk = 0.0031949 k( 49) = ( 0.4800000 -1.3236826 -0.7799608), wk = 0.0031949 k( 50) = ( 0.4900000 -1.3512593 -0.7962100), wk = 0.0031949 k( 51) = ( 0.5000000 -1.3788360 -0.8124591), wk = 0.0031949 k( 52) = ( 0.5000000 -1.3788360 -0.8124591), wk = 0.0031949 k( 53) = ( 0.5000000 -1.3618616 -0.8412667), wk = 0.0031949 k( 54) = ( 0.5000000 -1.3448871 -0.8700743), wk = 0.0031949 k( 55) = ( 0.5000000 -1.3279127 -0.8988819), wk = 0.0031949 k( 56) = ( 0.5000000 -1.3109382 -0.9276895), wk = 0.0031949 k( 57) = ( 0.5000000 -1.2939638 -0.9564971), wk = 0.0031949 k( 58) = ( 0.5000000 -1.2769893 -0.9853047), wk = 0.0031949 k( 59) = ( 0.5000000 -1.2600149 -1.0141123), wk = 0.0031949 k( 60) = ( 0.5000000 -1.2430404 -1.0429199), wk = 0.0031949 k( 61) = ( 0.5000000 -1.2260660 -1.0717274), wk = 0.0031949 k( 62) = ( 0.5000000 -1.2090915 -1.1005350), wk = 0.0031949 k( 63) = ( 0.5000000 -1.1921171 -1.1293426), wk = 0.0031949 k( 64) = ( 0.5000000 -1.1751426 -1.1581502), wk = 0.0031949 k( 65) = ( 0.5000000 -1.1581681 -1.1869578), wk = 0.0031949 k( 66) = ( 0.5000000 -1.1411937 -1.2157654), wk = 0.0031949 k( 67) = ( 0.5000000 -1.1242192 -1.2445730), wk = 0.0031949 k( 68) = ( 0.5000000 -1.1072448 -1.2733806), wk = 0.0031949 k( 69) = ( 0.5000000 -1.0902703 -1.3021882), wk = 0.0031949 k( 70) = ( 0.5000000 -1.0732959 -1.3309957), wk = 0.0031949 k( 71) = ( 0.5000000 -1.0563214 -1.3598033), wk = 0.0031949 k( 72) = ( 0.5000000 -1.0393470 -1.3886109), wk = 0.0031949 k( 73) = ( 0.5000000 -1.0223725 -1.4174185), wk = 0.0031949 k( 74) = ( 0.5000000 -1.0053980 -1.4462261), wk = 0.0031949 k( 75) = ( 0.5000000 -0.9884236 -1.4750337), wk = 0.0031949 k( 76) = ( 0.5000000 -0.9714491 -1.5038413), wk = 0.0031949 k( 77) = ( 0.5000000 -0.9544747 -1.5326489), wk = 0.0031949 k( 78) = ( 0.5000000 -0.9375002 -1.5614564), wk = 0.0031949 k( 79) = ( 0.5000000 -0.9205258 -1.5902640), wk = 0.0031949 k( 80) = ( 0.5000000 -0.9035513 -1.6190716), wk = 0.0031949 k( 81) = ( 0.5000000 -0.8865769 -1.6478792), wk = 0.0031949 k( 82) = ( 0.5000000 -0.8696024 -1.6766868), wk = 0.0031949 k( 83) = ( 0.8264008 -0.8122491 -1.5731497), wk = 0.0031949 k( 84) = ( 0.8205722 -0.7961758 -1.5441334), wk = 0.0031949 k( 85) = ( 0.8147436 -0.7801025 -1.5151169), wk = 0.0031949 k( 86) = ( 0.8089150 -0.7640292 -1.4861006), wk = 0.0031949 k( 87) = ( 0.8030864 -0.7479558 -1.4570841), wk = 0.0031949 k( 88) = ( 0.7972578 -0.7318825 -1.4280678), wk = 0.0031949 k( 89) = ( 0.7914292 -0.7158092 -1.3990513), wk = 0.0031949 k( 90) = ( 0.7856007 -0.6997359 -1.3700350), wk = 0.0031949 k( 91) = ( 0.7797721 -0.6836625 -1.3410185), wk = 0.0031949 k( 92) = ( 0.7739435 -0.6675892 -1.3120022), wk = 0.0031949 k( 93) = ( 0.7681149 -0.6515159 -1.2829858), wk = 0.0031949 k( 94) = ( 0.7622863 -0.6354426 -1.2539694), wk = 0.0031949 k( 95) = ( 0.7564577 -0.6193692 -1.2249530), wk = 0.0031949 k( 96) = ( 0.7506292 -0.6032959 -1.1959366), wk = 0.0031949 k( 97) = ( 0.7448006 -0.5872226 -1.1669202), wk = 0.0031949 k( 98) = ( 0.7389720 -0.5711493 -1.1379038), wk = 0.0031949 k( 99) = ( 0.7331434 -0.5550759 -1.1088874), wk = 0.0031949 k( 100) = ( 0.7273148 -0.5390026 -1.0798710), wk = 0.0031949 k( 101) = ( 0.7214862 -0.5229293 -1.0508546), wk = 0.0031949 k( 102) = ( 0.7156577 -0.5068560 -1.0218382), wk = 0.0031949 k( 103) = ( 0.7098291 -0.4907826 -0.9928218), wk = 0.0031949 k( 104) = ( 0.7040005 -0.4747093 -0.9638054), wk = 0.0031949 k( 105) = ( 0.6981719 -0.4586360 -0.9347890), wk = 0.0031949 k( 106) = ( 0.6923433 -0.4425627 -0.9057726), wk = 0.0031949 k( 107) = ( 0.6865147 -0.4264893 -0.8767562), wk = 0.0031949 k( 108) = ( 0.6806861 -0.4104160 -0.8477398), wk = 0.0031949 k( 109) = ( 0.6748576 -0.3943427 -0.8187234), wk = 0.0031949 k( 110) = ( 0.6690290 -0.3782693 -0.7897070), wk = 0.0031949 k( 111) = ( 0.6632004 -0.3621960 -0.7606906), wk = 0.0031949 k( 112) = ( 0.6573718 -0.3461227 -0.7316742), wk = 0.0031949 k( 113) = ( 0.6515432 -0.3300494 -0.7026578), wk = 0.0031949 k( 114) = ( 0.6457146 -0.3139760 -0.6736414), wk = 0.0031949 k( 115) = ( 0.6398860 -0.2979027 -0.6446250), wk = 0.0031949 k( 116) = ( 0.6340575 -0.2818294 -0.6156086), wk = 0.0031949 k( 117) = ( 0.6282289 -0.2657561 -0.5865922), wk = 0.0031949 k( 118) = ( 0.6224003 -0.2496827 -0.5575758), wk = 0.0031949 k( 119) = ( 0.6165717 -0.2336094 -0.5285594), wk = 0.0031949 k( 120) = ( 0.6107431 -0.2175361 -0.4995430), wk = 0.0031949 k( 121) = ( 0.6049145 -0.2014627 -0.4705266), wk = 0.0031949 k( 122) = ( 0.5990859 -0.1853894 -0.4415102), wk = 0.0031949 k( 123) = ( 0.5932574 -0.1693161 -0.4124938), wk = 0.0031949 k( 124) = ( 0.5874288 -0.1532428 -0.3834775), wk = 0.0031949 k( 125) = ( 0.5816002 -0.1371694 -0.3544610), wk = 0.0031949 k( 126) = ( 0.5757716 -0.1210961 -0.3254447), wk = 0.0031949 k( 127) = ( 0.5699430 -0.1050228 -0.2964282), wk = 0.0031949 k( 128) = ( 0.5641144 -0.0889495 -0.2674119), wk = 0.0031949 k( 129) = ( 0.5582858 -0.0728761 -0.2383954), wk = 0.0031949 k( 130) = ( 0.5524573 -0.0568028 -0.2093791), wk = 0.0031949 k( 131) = ( 0.5466287 -0.0407295 -0.1803626), wk = 0.0031949 k( 132) = ( 0.5408001 -0.0246562 -0.1513463), wk = 0.0031949 k( 133) = ( 0.5349715 -0.0085828 -0.1223299), wk = 0.0031949 k( 134) = ( 0.5291429 0.0074905 -0.0933135), wk = 0.0031949 k( 135) = ( 0.5233143 0.0235638 -0.0642971), wk = 0.0031949 k( 136) = ( 0.5174858 0.0396371 -0.0352807), wk = 0.0031949 k( 137) = ( 0.5116572 0.0557105 -0.0062643), wk = 0.0031949 k( 138) = ( 0.5058286 0.0717838 0.0227521), wk = 0.0031949 k( 139) = ( 0.5000000 0.0878571 0.0517685), wk = 0.0031949 k( 140) = ( 0.5000000 0.0878571 0.0517685), wk = 0.0031949 k( 141) = ( 0.4687500 0.0823661 0.0485330), wk = 0.0031949 k( 142) = ( 0.4375000 0.0768750 0.0452975), wk = 0.0031949 k( 143) = ( 0.4062500 0.0713839 0.0420619), wk = 0.0031949 k( 144) = ( 0.3750000 0.0658928 0.0388264), wk = 0.0031949 k( 145) = ( 0.3437500 0.0604018 0.0355909), wk = 0.0031949 k( 146) = ( 0.3125000 0.0549107 0.0323553), wk = 0.0031949 k( 147) = ( 0.2812500 0.0494196 0.0291198), wk = 0.0031949 k( 148) = ( 0.2500000 0.0439286 0.0258843), wk = 0.0031949 k( 149) = ( 0.2187500 0.0384375 0.0226487), wk = 0.0031949 k( 150) = ( 0.1875000 0.0329464 0.0194132), wk = 0.0031949 k( 151) = ( 0.1562500 0.0274554 0.0161777), wk = 0.0031949 k( 152) = ( 0.1250000 0.0219643 0.0129421), wk = 0.0031949 k( 153) = ( 0.0937500 0.0164732 0.0097066), wk = 0.0031949 k( 154) = ( 0.0625000 0.0109821 0.0064711), wk = 0.0031949 k( 155) = ( 0.0312500 0.0054911 0.0032355), wk = 0.0031949 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 158) = ( 0.0058069 -0.0160135 -0.0289084), wk = 0.0031949 k( 159) = ( 0.0116138 -0.0320270 -0.0578168), wk = 0.0031949 k( 160) = ( 0.0174207 -0.0480405 -0.0867252), wk = 0.0031949 k( 161) = ( 0.0232276 -0.0640540 -0.1156336), wk = 0.0031949 k( 162) = ( 0.0290344 -0.0800675 -0.1445420), wk = 0.0031949 k( 163) = ( 0.0348413 -0.0960810 -0.1734504), wk = 0.0031949 k( 164) = ( 0.0406482 -0.1120945 -0.2023588), wk = 0.0031949 k( 165) = ( 0.0464551 -0.1281080 -0.2312671), wk = 0.0031949 k( 166) = ( 0.0522620 -0.1441215 -0.2601755), wk = 0.0031949 k( 167) = ( 0.0580689 -0.1601350 -0.2890839), wk = 0.0031949 k( 168) = ( 0.0638758 -0.1761485 -0.3179923), wk = 0.0031949 k( 169) = ( 0.0696827 -0.1921620 -0.3469007), wk = 0.0031949 k( 170) = ( 0.0754896 -0.2081755 -0.3758091), wk = 0.0031949 k( 171) = ( 0.0812965 -0.2241890 -0.4047175), wk = 0.0031949 k( 172) = ( 0.0871033 -0.2402025 -0.4336259), wk = 0.0031949 k( 173) = ( 0.0929102 -0.2562160 -0.4625343), wk = 0.0031949 k( 174) = ( 0.0987171 -0.2722295 -0.4914427), wk = 0.0031949 k( 175) = ( 0.1045240 -0.2882430 -0.5203511), wk = 0.0031949 k( 176) = ( 0.1103309 -0.3042565 -0.5492595), wk = 0.0031949 k( 177) = ( 0.1161378 -0.3202700 -0.5781679), wk = 0.0031949 k( 178) = ( 0.1219447 -0.3362835 -0.6070763), wk = 0.0031949 k( 179) = ( 0.1277516 -0.3522970 -0.6359847), wk = 0.0031949 k( 180) = ( 0.1335585 -0.3683105 -0.6648930), wk = 0.0031949 k( 181) = ( 0.1393654 -0.3843240 -0.6938014), wk = 0.0031949 k( 182) = ( 0.1451723 -0.4003375 -0.7227098), wk = 0.0031949 k( 183) = ( 0.1509791 -0.4163510 -0.7516182), wk = 0.0031949 k( 184) = ( 0.1567860 -0.4323645 -0.7805266), wk = 0.0031949 k( 185) = ( 0.1625929 -0.4483780 -0.8094350), wk = 0.0031949 k( 186) = ( 0.1683998 -0.4643915 -0.8383434), wk = 0.0031949 k( 187) = ( 0.1742067 -0.4804050 -0.8672518), wk = 0.0031949 k( 188) = ( 0.1800136 -0.4964184 -0.8961602), wk = 0.0031949 k( 189) = ( 0.1858205 -0.5124319 -0.9250686), wk = 0.0031949 k( 190) = ( 0.1916274 -0.5284454 -0.9539770), wk = 0.0031949 k( 191) = ( 0.1974343 -0.5444589 -0.9828854), wk = 0.0031949 k( 192) = ( 0.2032412 -0.5604724 -1.0117938), wk = 0.0031949 k( 193) = ( 0.2090480 -0.5764859 -1.0407022), wk = 0.0031949 k( 194) = ( 0.2148549 -0.5924994 -1.0696106), wk = 0.0031949 k( 195) = ( 0.2206618 -0.6085129 -1.0985190), wk = 0.0031949 k( 196) = ( 0.2264687 -0.6245264 -1.1274273), wk = 0.0031949 k( 197) = ( 0.2322756 -0.6405399 -1.1563357), wk = 0.0031949 k( 198) = ( 0.2380825 -0.6565534 -1.1852441), wk = 0.0031949 k( 199) = ( 0.2438894 -0.6725669 -1.2141525), wk = 0.0031949 k( 200) = ( 0.2496963 -0.6885804 -1.2430609), wk = 0.0031949 k( 201) = ( 0.2555032 -0.7045939 -1.2719693), wk = 0.0031949 k( 202) = ( 0.2613101 -0.7206074 -1.3008777), wk = 0.0031949 k( 203) = ( 0.2671169 -0.7366209 -1.3297861), wk = 0.0031949 k( 204) = ( 0.2729238 -0.7526344 -1.3586945), wk = 0.0031949 k( 205) = ( 0.2787307 -0.7686479 -1.3876029), wk = 0.0031949 k( 206) = ( 0.2845376 -0.7846614 -1.4165113), wk = 0.0031949 k( 207) = ( 0.2903445 -0.8006749 -1.4454197), wk = 0.0031949 k( 208) = ( 0.2961514 -0.8166884 -1.4743281), wk = 0.0031949 k( 209) = ( 0.3019583 -0.8327019 -1.5032365), wk = 0.0031949 k( 210) = ( 0.3077652 -0.8487154 -1.5321449), wk = 0.0031949 k( 211) = ( 0.3135721 -0.8647289 -1.5610532), wk = 0.0031949 k( 212) = ( 0.3193789 -0.8807424 -1.5899616), wk = 0.0031949 k( 213) = ( 0.3251858 -0.8967559 -1.6188700), wk = 0.0031949 k( 214) = ( 0.3309927 -0.9127694 -1.6477784), wk = 0.0031949 k( 215) = ( 0.3367996 -0.9287829 -1.6766868), wk = 0.0031949 k( 216) = ( 0.6632004 -0.8409258 -1.6249183), wk = 0.0031949 k( 217) = ( 0.6573718 -0.8077550 -1.6249183), wk = 0.0031949 k( 218) = ( 0.6515432 -0.7745841 -1.6249183), wk = 0.0031949 k( 219) = ( 0.6457146 -0.7414133 -1.6249183), wk = 0.0031949 k( 220) = ( 0.6398860 -0.7082425 -1.6249183), wk = 0.0031949 k( 221) = ( 0.6340575 -0.6750717 -1.6249183), wk = 0.0031949 k( 222) = ( 0.6282289 -0.6419009 -1.6249183), wk = 0.0031949 k( 223) = ( 0.6224003 -0.6087301 -1.6249183), wk = 0.0031949 k( 224) = ( 0.6165717 -0.5755592 -1.6249183), wk = 0.0031949 k( 225) = ( 0.6107431 -0.5423884 -1.6249183), wk = 0.0031949 k( 226) = ( 0.6049145 -0.5092176 -1.6249183), wk = 0.0031949 k( 227) = ( 0.5990859 -0.4760468 -1.6249183), wk = 0.0031949 k( 228) = ( 0.5932574 -0.4428760 -1.6249183), wk = 0.0031949 k( 229) = ( 0.5874288 -0.4097052 -1.6249183), wk = 0.0031949 k( 230) = ( 0.5816002 -0.3765343 -1.6249183), wk = 0.0031949 k( 231) = ( 0.5757716 -0.3433635 -1.6249183), wk = 0.0031949 k( 232) = ( 0.5699430 -0.3101927 -1.6249183), wk = 0.0031949 k( 233) = ( 0.5641144 -0.2770219 -1.6249183), wk = 0.0031949 k( 234) = ( 0.5582858 -0.2438511 -1.6249183), wk = 0.0031949 k( 235) = ( 0.5524573 -0.2106803 -1.6249183), wk = 0.0031949 k( 236) = ( 0.5466287 -0.1775094 -1.6249183), wk = 0.0031949 k( 237) = ( 0.5408001 -0.1443386 -1.6249183), wk = 0.0031949 k( 238) = ( 0.5349715 -0.1111678 -1.6249183), wk = 0.0031949 k( 239) = ( 0.5291429 -0.0779970 -1.6249183), wk = 0.0031949 k( 240) = ( 0.5233143 -0.0448262 -1.6249183), wk = 0.0031949 k( 241) = ( 0.5174858 -0.0116554 -1.6249183), wk = 0.0031949 k( 242) = ( 0.5116572 0.0215155 -1.6249183), wk = 0.0031949 k( 243) = ( 0.5058286 0.0546863 -1.6249183), wk = 0.0031949 k( 244) = ( 0.5000000 0.0878571 -1.6249183), wk = 0.0031949 k( 245) = ( 0.5000000 0.0878571 -1.6249183), wk = 0.0031949 k( 246) = ( 0.5272001 0.0926366 -1.6162902), wk = 0.0031949 k( 247) = ( 0.5544001 0.0974160 -1.6076621), wk = 0.0031949 k( 248) = ( 0.5816002 0.1021954 -1.5990340), wk = 0.0031949 k( 249) = ( 0.6088003 0.1069749 -1.5904059), wk = 0.0031949 k( 250) = ( 0.6360003 0.1117543 -1.5817778), wk = 0.0031949 k( 251) = ( 0.6632004 0.1165338 -1.5731497), wk = 0.0031949 k( 252) = ( 0.6632004 0.1165338 -1.5731497), wk = 0.0031949 k( 253) = ( 0.6598698 0.1159485 -1.5399881), wk = 0.0031949 k( 254) = ( 0.6565391 0.1153633 -1.5068265), wk = 0.0031949 k( 255) = ( 0.6532085 0.1147780 -1.4736649), wk = 0.0031949 k( 256) = ( 0.6498779 0.1141928 -1.4405033), wk = 0.0031949 k( 257) = ( 0.6465473 0.1136076 -1.4073417), wk = 0.0031949 k( 258) = ( 0.6432167 0.1130223 -1.3741801), wk = 0.0031949 k( 259) = ( 0.6398860 0.1124371 -1.3410185), wk = 0.0031949 k( 260) = ( 0.6365554 0.1118519 -1.3078569), wk = 0.0031949 k( 261) = ( 0.6332248 0.1112666 -1.2746954), wk = 0.0031949 k( 262) = ( 0.6298942 0.1106814 -1.2415338), wk = 0.0031949 k( 263) = ( 0.6265636 0.1100961 -1.2083722), wk = 0.0031949 k( 264) = ( 0.6232329 0.1095109 -1.1752106), wk = 0.0031949 k( 265) = ( 0.6199023 0.1089257 -1.1420490), wk = 0.0031949 k( 266) = ( 0.6165717 0.1083404 -1.1088874), wk = 0.0031949 k( 267) = ( 0.6132411 0.1077552 -1.0757258), wk = 0.0031949 k( 268) = ( 0.6099105 0.1071700 -1.0425642), wk = 0.0031949 k( 269) = ( 0.6065798 0.1065847 -1.0094026), wk = 0.0031949 k( 270) = ( 0.6032492 0.1059995 -0.9762410), wk = 0.0031949 k( 271) = ( 0.5999186 0.1054142 -0.9430794), wk = 0.0031949 k( 272) = ( 0.5965880 0.1048290 -0.9099178), wk = 0.0031949 k( 273) = ( 0.5932574 0.1042438 -0.8767562), wk = 0.0031949 k( 274) = ( 0.5899267 0.1036585 -0.8435946), wk = 0.0031949 k( 275) = ( 0.5865961 0.1030733 -0.8104330), wk = 0.0031949 k( 276) = ( 0.5832655 0.1024881 -0.7772714), wk = 0.0031949 k( 277) = ( 0.5799349 0.1019028 -0.7441098), wk = 0.0031949 k( 278) = ( 0.5766043 0.1013176 -0.7109482), wk = 0.0031949 k( 279) = ( 0.5732736 0.1007323 -0.6777866), wk = 0.0031949 k( 280) = ( 0.5699430 0.1001471 -0.6446250), wk = 0.0031949 k( 281) = ( 0.5666124 0.0995619 -0.6114634), wk = 0.0031949 k( 282) = ( 0.5632818 0.0989766 -0.5783018), wk = 0.0031949 k( 283) = ( 0.5599512 0.0983914 -0.5451402), wk = 0.0031949 k( 284) = ( 0.5566205 0.0978062 -0.5119786), wk = 0.0031949 k( 285) = ( 0.5532899 0.0972209 -0.4788170), wk = 0.0031949 k( 286) = ( 0.5499593 0.0966357 -0.4456554), wk = 0.0031949 k( 287) = ( 0.5466287 0.0960504 -0.4124938), wk = 0.0031949 k( 288) = ( 0.5432981 0.0954652 -0.3793322), wk = 0.0031949 k( 289) = ( 0.5399674 0.0948800 -0.3461706), wk = 0.0031949 k( 290) = ( 0.5366368 0.0942947 -0.3130090), wk = 0.0031949 k( 291) = ( 0.5333062 0.0937095 -0.2798474), wk = 0.0031949 k( 292) = ( 0.5299756 0.0931243 -0.2466858), wk = 0.0031949 k( 293) = ( 0.5266450 0.0925390 -0.2135242), wk = 0.0031949 k( 294) = ( 0.5233143 0.0919538 -0.1803626), wk = 0.0031949 k( 295) = ( 0.5199837 0.0913685 -0.1472010), wk = 0.0031949 k( 296) = ( 0.5166531 0.0907833 -0.1140395), wk = 0.0031949 k( 297) = ( 0.5133225 0.0901981 -0.0808779), wk = 0.0031949 k( 298) = ( 0.5099919 0.0896128 -0.0477163), wk = 0.0031949 k( 299) = ( 0.5066612 0.0890276 -0.0145547), wk = 0.0031949 k( 300) = ( 0.5033306 0.0884424 0.0186069), wk = 0.0031949 k( 301) = ( 0.5000000 0.0878571 0.0517685), wk = 0.0031949 k( 302) = ( 0.5000000 -1.3788360 -0.8124591), wk = 0.0031949 k( 303) = ( 0.5296728 -1.3708490 -0.8077529), wk = 0.0031949 k( 304) = ( 0.5593456 -1.3628620 -0.8030467), wk = 0.0031949 k( 305) = ( 0.5890184 -1.3548750 -0.7983405), wk = 0.0031949 k( 306) = ( 0.6186912 -1.3468880 -0.7936342), wk = 0.0031949 k( 307) = ( 0.6483640 -1.3389010 -0.7889280), wk = 0.0031949 k( 308) = ( 0.6780368 -1.3309140 -0.7842218), wk = 0.0031949 k( 309) = ( 0.7077096 -1.3229270 -0.7795155), wk = 0.0031949 k( 310) = ( 0.7373824 -1.3149399 -0.7748093), wk = 0.0031949 k( 311) = ( 0.7670552 -1.3069529 -0.7701031), wk = 0.0031949 k( 312) = ( 0.7967280 -1.2989659 -0.7653968), wk = 0.0031949 k( 313) = ( 0.8264008 -1.2909789 -0.7606906), wk = 0.0031949 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0100000 0.0000000 0.0000000), wk = 0.0031949 k( 3) = ( 0.0200000 0.0000000 0.0000000), wk = 0.0031949 k( 4) = ( 0.0300000 -0.0000000 -0.0000000), wk = 0.0031949 k( 5) = ( 0.0400000 0.0000000 0.0000000), wk = 0.0031949 k( 6) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0031949 k( 7) = ( 0.0600000 -0.0000000 -0.0000000), wk = 0.0031949 k( 8) = ( 0.0700000 -0.0000000 0.0000000), wk = 0.0031949 k( 9) = ( 0.0800000 0.0000000 0.0000000), wk = 0.0031949 k( 10) = ( 0.0900000 -0.0000000 0.0000000), wk = 0.0031949 k( 11) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0031949 k( 12) = ( 0.1100000 0.0000000 0.0000000), wk = 0.0031949 k( 13) = ( 0.1200000 -0.0000000 -0.0000000), wk = 0.0031949 k( 14) = ( 0.1300000 -0.0000000 0.0000000), wk = 0.0031949 k( 15) = ( 0.1400000 -0.0000000 0.0000000), wk = 0.0031949 k( 16) = ( 0.1500000 -0.0000000 0.0000000), wk = 0.0031949 k( 17) = ( 0.1600000 0.0000000 0.0000000), wk = 0.0031949 k( 18) = ( 0.1700000 -0.0000000 -0.0000000), wk = 0.0031949 k( 19) = ( 0.1800000 -0.0000000 0.0000000), wk = 0.0031949 k( 20) = ( 0.1900000 -0.0000000 -0.0000000), wk = 0.0031949 k( 21) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0031949 k( 22) = ( 0.2100000 -0.0000000 0.0000000), wk = 0.0031949 k( 23) = ( 0.2200000 0.0000000 0.0000000), wk = 0.0031949 k( 24) = ( 0.2300000 0.0000000 0.0000000), wk = 0.0031949 k( 25) = ( 0.2400000 -0.0000000 -0.0000000), wk = 0.0031949 k( 26) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0031949 k( 27) = ( 0.2600000 -0.0000000 0.0000000), wk = 0.0031949 k( 28) = ( 0.2700000 -0.0000000 0.0000000), wk = 0.0031949 k( 29) = ( 0.2800000 -0.0000000 0.0000000), wk = 0.0031949 k( 30) = ( 0.2900000 0.0000000 -0.0000000), wk = 0.0031949 k( 31) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0031949 k( 32) = ( 0.3100000 -0.0000000 0.0000000), wk = 0.0031949 k( 33) = ( 0.3200000 0.0000000 0.0000000), wk = 0.0031949 k( 34) = ( 0.3300000 -0.0000000 0.0000000), wk = 0.0031949 k( 35) = ( 0.3400000 -0.0000000 -0.0000000), wk = 0.0031949 k( 36) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0031949 k( 37) = ( 0.3600000 -0.0000000 0.0000000), wk = 0.0031949 k( 38) = ( 0.3700000 -0.0000000 0.0000000), wk = 0.0031949 k( 39) = ( 0.3800000 -0.0000000 -0.0000000), wk = 0.0031949 k( 40) = ( 0.3900000 -0.0000000 -0.0000000), wk = 0.0031949 k( 41) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0031949 k( 42) = ( 0.4100000 0.0000000 0.0000000), wk = 0.0031949 k( 43) = ( 0.4200000 -0.0000000 0.0000000), wk = 0.0031949 k( 44) = ( 0.4300000 0.0000000 0.0000000), wk = 0.0031949 k( 45) = ( 0.4400000 0.0000000 0.0000000), wk = 0.0031949 k( 46) = ( 0.4500000 -0.0000000 0.0000000), wk = 0.0031949 k( 47) = ( 0.4600000 0.0000000 0.0000000), wk = 0.0031949 k( 48) = ( 0.4700000 -0.0000000 0.0000000), wk = 0.0031949 k( 49) = ( 0.4800000 -0.0000000 -0.0000000), wk = 0.0031949 k( 50) = ( 0.4900000 -0.0000000 0.0000000), wk = 0.0031949 k( 51) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031949 k( 52) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031949 k( 53) = ( 0.5000000 0.0057866 -0.0057866), wk = 0.0031949 k( 54) = ( 0.5000000 0.0115733 -0.0115733), wk = 0.0031949 k( 55) = ( 0.5000000 0.0173599 -0.0173599), wk = 0.0031949 k( 56) = ( 0.5000000 0.0231466 -0.0231466), wk = 0.0031949 k( 57) = ( 0.5000000 0.0289332 -0.0289332), wk = 0.0031949 k( 58) = ( 0.5000000 0.0347198 -0.0347199), wk = 0.0031949 k( 59) = ( 0.5000000 0.0405065 -0.0405065), wk = 0.0031949 k( 60) = ( 0.5000000 0.0462931 -0.0462931), wk = 0.0031949 k( 61) = ( 0.5000000 0.0520798 -0.0520798), wk = 0.0031949 k( 62) = ( 0.5000000 0.0578664 -0.0578664), wk = 0.0031949 k( 63) = ( 0.5000000 0.0636530 -0.0636531), wk = 0.0031949 k( 64) = ( 0.5000000 0.0694397 -0.0694397), wk = 0.0031949 k( 65) = ( 0.5000000 0.0752263 -0.0752263), wk = 0.0031949 k( 66) = ( 0.5000000 0.0810130 -0.0810130), wk = 0.0031949 k( 67) = ( 0.5000000 0.0867996 -0.0867996), wk = 0.0031949 k( 68) = ( 0.5000000 0.0925863 -0.0925863), wk = 0.0031949 k( 69) = ( 0.5000000 0.0983729 -0.0983729), wk = 0.0031949 k( 70) = ( 0.5000000 0.1041595 -0.1041595), wk = 0.0031949 k( 71) = ( 0.5000000 0.1099462 -0.1099462), wk = 0.0031949 k( 72) = ( 0.5000000 0.1157328 -0.1157328), wk = 0.0031949 k( 73) = ( 0.5000000 0.1215195 -0.1215195), wk = 0.0031949 k( 74) = ( 0.5000000 0.1273061 -0.1273061), wk = 0.0031949 k( 75) = ( 0.5000000 0.1330927 -0.1330927), wk = 0.0031949 k( 76) = ( 0.5000000 0.1388794 -0.1388794), wk = 0.0031949 k( 77) = ( 0.5000000 0.1446660 -0.1446660), wk = 0.0031949 k( 78) = ( 0.5000000 0.1504527 -0.1504527), wk = 0.0031949 k( 79) = ( 0.5000000 0.1562393 -0.1562393), wk = 0.0031949 k( 80) = ( 0.5000000 0.1620259 -0.1620260), wk = 0.0031949 k( 81) = ( 0.5000000 0.1678126 -0.1678126), wk = 0.0031949 k( 82) = ( 0.5000000 0.1735992 -0.1735992), wk = 0.0031949 k( 83) = ( 0.8264008 0.5000000 0.1735992), wk = 0.0031949 k( 84) = ( 0.8205722 0.5000000 0.1794278), wk = 0.0031949 k( 85) = ( 0.8147436 0.5000000 0.1852564), wk = 0.0031949 k( 86) = ( 0.8089150 0.5000000 0.1910850), wk = 0.0031949 k( 87) = ( 0.8030864 0.5000000 0.1969136), wk = 0.0031949 k( 88) = ( 0.7972578 0.5000000 0.2027422), wk = 0.0031949 k( 89) = ( 0.7914292 0.5000000 0.2085708), wk = 0.0031949 k( 90) = ( 0.7856007 0.5000000 0.2143993), wk = 0.0031949 k( 91) = ( 0.7797721 0.5000000 0.2202279), wk = 0.0031949 k( 92) = ( 0.7739435 0.5000000 0.2260565), wk = 0.0031949 k( 93) = ( 0.7681149 0.5000000 0.2318851), wk = 0.0031949 k( 94) = ( 0.7622863 0.5000000 0.2377137), wk = 0.0031949 k( 95) = ( 0.7564577 0.5000000 0.2435423), wk = 0.0031949 k( 96) = ( 0.7506292 0.5000000 0.2493708), wk = 0.0031949 k( 97) = ( 0.7448006 0.5000000 0.2551994), wk = 0.0031949 k( 98) = ( 0.7389720 0.5000000 0.2610280), wk = 0.0031949 k( 99) = ( 0.7331434 0.5000000 0.2668566), wk = 0.0031949 k( 100) = ( 0.7273148 0.5000000 0.2726852), wk = 0.0031949 k( 101) = ( 0.7214862 0.5000000 0.2785138), wk = 0.0031949 k( 102) = ( 0.7156577 0.5000000 0.2843423), wk = 0.0031949 k( 103) = ( 0.7098291 0.5000000 0.2901709), wk = 0.0031949 k( 104) = ( 0.7040005 0.5000000 0.2959995), wk = 0.0031949 k( 105) = ( 0.6981719 0.5000000 0.3018281), wk = 0.0031949 k( 106) = ( 0.6923433 0.5000000 0.3076567), wk = 0.0031949 k( 107) = ( 0.6865147 0.5000000 0.3134853), wk = 0.0031949 k( 108) = ( 0.6806861 0.5000000 0.3193139), wk = 0.0031949 k( 109) = ( 0.6748576 0.5000000 0.3251425), wk = 0.0031949 k( 110) = ( 0.6690290 0.5000000 0.3309710), wk = 0.0031949 k( 111) = ( 0.6632004 0.5000000 0.3367996), wk = 0.0031949 k( 112) = ( 0.6573718 0.5000000 0.3426282), wk = 0.0031949 k( 113) = ( 0.6515432 0.5000000 0.3484568), wk = 0.0031949 k( 114) = ( 0.6457146 0.5000000 0.3542854), wk = 0.0031949 k( 115) = ( 0.6398860 0.5000000 0.3601140), wk = 0.0031949 k( 116) = ( 0.6340575 0.5000000 0.3659425), wk = 0.0031949 k( 117) = ( 0.6282289 0.5000000 0.3717711), wk = 0.0031949 k( 118) = ( 0.6224003 0.5000000 0.3775997), wk = 0.0031949 k( 119) = ( 0.6165717 0.5000000 0.3834283), wk = 0.0031949 k( 120) = ( 0.6107431 0.5000000 0.3892569), wk = 0.0031949 k( 121) = ( 0.6049145 0.5000000 0.3950855), wk = 0.0031949 k( 122) = ( 0.5990859 0.5000000 0.4009141), wk = 0.0031949 k( 123) = ( 0.5932574 0.5000000 0.4067426), wk = 0.0031949 k( 124) = ( 0.5874288 0.5000000 0.4125712), wk = 0.0031949 k( 125) = ( 0.5816002 0.5000000 0.4183998), wk = 0.0031949 k( 126) = ( 0.5757716 0.5000000 0.4242284), wk = 0.0031949 k( 127) = ( 0.5699430 0.5000000 0.4300570), wk = 0.0031949 k( 128) = ( 0.5641144 0.5000000 0.4358856), wk = 0.0031949 k( 129) = ( 0.5582858 0.5000000 0.4417142), wk = 0.0031949 k( 130) = ( 0.5524573 0.5000000 0.4475427), wk = 0.0031949 k( 131) = ( 0.5466287 0.5000000 0.4533713), wk = 0.0031949 k( 132) = ( 0.5408001 0.5000000 0.4591999), wk = 0.0031949 k( 133) = ( 0.5349715 0.5000000 0.4650285), wk = 0.0031949 k( 134) = ( 0.5291429 0.5000000 0.4708571), wk = 0.0031949 k( 135) = ( 0.5233143 0.5000000 0.4766857), wk = 0.0031949 k( 136) = ( 0.5174858 0.5000000 0.4825142), wk = 0.0031949 k( 137) = ( 0.5116572 0.5000000 0.4883428), wk = 0.0031949 k( 138) = ( 0.5058286 0.5000000 0.4941714), wk = 0.0031949 k( 139) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 140) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 141) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0031949 k( 142) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0031949 k( 143) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0031949 k( 144) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0031949 k( 145) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0031949 k( 146) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0031949 k( 147) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0031949 k( 148) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031949 k( 149) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0031949 k( 150) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0031949 k( 151) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0031949 k( 152) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0031949 k( 153) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0031949 k( 154) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0031949 k( 155) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0031949 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 158) = ( 0.0058069 -0.0000000 -0.0058069), wk = 0.0031949 k( 159) = ( 0.0116138 -0.0000000 -0.0116138), wk = 0.0031949 k( 160) = ( 0.0174207 -0.0000000 -0.0174207), wk = 0.0031949 k( 161) = ( 0.0232276 -0.0000000 -0.0232276), wk = 0.0031949 k( 162) = ( 0.0290344 -0.0000000 -0.0290345), wk = 0.0031949 k( 163) = ( 0.0348413 -0.0000000 -0.0348413), wk = 0.0031949 k( 164) = ( 0.0406482 -0.0000000 -0.0406482), wk = 0.0031949 k( 165) = ( 0.0464551 -0.0000000 -0.0464551), wk = 0.0031949 k( 166) = ( 0.0522620 -0.0000000 -0.0522620), wk = 0.0031949 k( 167) = ( 0.0580689 -0.0000000 -0.0580689), wk = 0.0031949 k( 168) = ( 0.0638758 -0.0000000 -0.0638758), wk = 0.0031949 k( 169) = ( 0.0696827 -0.0000000 -0.0696827), wk = 0.0031949 k( 170) = ( 0.0754896 -0.0000000 -0.0754896), wk = 0.0031949 k( 171) = ( 0.0812965 -0.0000000 -0.0812965), wk = 0.0031949 k( 172) = ( 0.0871033 -0.0000000 -0.0871033), wk = 0.0031949 k( 173) = ( 0.0929102 -0.0000000 -0.0929102), wk = 0.0031949 k( 174) = ( 0.0987171 -0.0000000 -0.0987171), wk = 0.0031949 k( 175) = ( 0.1045240 -0.0000000 -0.1045240), wk = 0.0031949 k( 176) = ( 0.1103309 -0.0000000 -0.1103309), wk = 0.0031949 k( 177) = ( 0.1161378 -0.0000000 -0.1161378), wk = 0.0031949 k( 178) = ( 0.1219447 -0.0000000 -0.1219447), wk = 0.0031949 k( 179) = ( 0.1277516 -0.0000000 -0.1277516), wk = 0.0031949 k( 180) = ( 0.1335585 -0.0000000 -0.1335585), wk = 0.0031949 k( 181) = ( 0.1393654 -0.0000000 -0.1393654), wk = 0.0031949 k( 182) = ( 0.1451723 0.0000000 -0.1451722), wk = 0.0031949 k( 183) = ( 0.1509791 -0.0000000 -0.1509791), wk = 0.0031949 k( 184) = ( 0.1567860 -0.0000000 -0.1567860), wk = 0.0031949 k( 185) = ( 0.1625929 -0.0000000 -0.1625929), wk = 0.0031949 k( 186) = ( 0.1683998 -0.0000000 -0.1683998), wk = 0.0031949 k( 187) = ( 0.1742067 -0.0000000 -0.1742067), wk = 0.0031949 k( 188) = ( 0.1800136 -0.0000000 -0.1800136), wk = 0.0031949 k( 189) = ( 0.1858205 -0.0000000 -0.1858205), wk = 0.0031949 k( 190) = ( 0.1916274 -0.0000000 -0.1916274), wk = 0.0031949 k( 191) = ( 0.1974343 -0.0000000 -0.1974343), wk = 0.0031949 k( 192) = ( 0.2032412 -0.0000000 -0.2032412), wk = 0.0031949 k( 193) = ( 0.2090480 -0.0000000 -0.2090480), wk = 0.0031949 k( 194) = ( 0.2148549 0.0000000 -0.2148549), wk = 0.0031949 k( 195) = ( 0.2206618 -0.0000000 -0.2206618), wk = 0.0031949 k( 196) = ( 0.2264687 -0.0000000 -0.2264687), wk = 0.0031949 k( 197) = ( 0.2322756 -0.0000000 -0.2322756), wk = 0.0031949 k( 198) = ( 0.2380825 -0.0000000 -0.2380825), wk = 0.0031949 k( 199) = ( 0.2438894 -0.0000000 -0.2438894), wk = 0.0031949 k( 200) = ( 0.2496963 -0.0000000 -0.2496963), wk = 0.0031949 k( 201) = ( 0.2555032 -0.0000000 -0.2555032), wk = 0.0031949 k( 202) = ( 0.2613101 -0.0000000 -0.2613101), wk = 0.0031949 k( 203) = ( 0.2671169 -0.0000000 -0.2671169), wk = 0.0031949 k( 204) = ( 0.2729238 -0.0000000 -0.2729238), wk = 0.0031949 k( 205) = ( 0.2787307 -0.0000000 -0.2787307), wk = 0.0031949 k( 206) = ( 0.2845376 -0.0000000 -0.2845376), wk = 0.0031949 k( 207) = ( 0.2903445 0.0000000 -0.2903445), wk = 0.0031949 k( 208) = ( 0.2961514 -0.0000000 -0.2961514), wk = 0.0031949 k( 209) = ( 0.3019583 -0.0000000 -0.3019583), wk = 0.0031949 k( 210) = ( 0.3077652 0.0000000 -0.3077652), wk = 0.0031949 k( 211) = ( 0.3135721 -0.0000000 -0.3135721), wk = 0.0031949 k( 212) = ( 0.3193789 -0.0000000 -0.3193789), wk = 0.0031949 k( 213) = ( 0.3251858 -0.0000000 -0.3251858), wk = 0.0031949 k( 214) = ( 0.3309927 -0.0000000 -0.3309927), wk = 0.0031949 k( 215) = ( 0.3367996 -0.0000000 -0.3367996), wk = 0.0031949 k( 216) = ( 0.6632004 0.3367996 0.0000000), wk = 0.0031949 k( 217) = ( 0.6573718 0.3426282 0.0000000), wk = 0.0031949 k( 218) = ( 0.6515432 0.3484568 0.0000000), wk = 0.0031949 k( 219) = ( 0.6457146 0.3542854 -0.0000000), wk = 0.0031949 k( 220) = ( 0.6398860 0.3601140 0.0000000), wk = 0.0031949 k( 221) = ( 0.6340575 0.3659425 0.0000000), wk = 0.0031949 k( 222) = ( 0.6282289 0.3717711 0.0000000), wk = 0.0031949 k( 223) = ( 0.6224003 0.3775997 -0.0000000), wk = 0.0031949 k( 224) = ( 0.6165717 0.3834283 0.0000000), wk = 0.0031949 k( 225) = ( 0.6107431 0.3892569 0.0000000), wk = 0.0031949 k( 226) = ( 0.6049145 0.3950855 -0.0000000), wk = 0.0031949 k( 227) = ( 0.5990859 0.4009140 0.0000000), wk = 0.0031949 k( 228) = ( 0.5932574 0.4067426 0.0000000), wk = 0.0031949 k( 229) = ( 0.5874288 0.4125712 0.0000000), wk = 0.0031949 k( 230) = ( 0.5816002 0.4183998 -0.0000000), wk = 0.0031949 k( 231) = ( 0.5757716 0.4242284 0.0000000), wk = 0.0031949 k( 232) = ( 0.5699430 0.4300570 0.0000000), wk = 0.0031949 k( 233) = ( 0.5641144 0.4358856 0.0000000), wk = 0.0031949 k( 234) = ( 0.5582858 0.4417141 0.0000000), wk = 0.0031949 k( 235) = ( 0.5524573 0.4475427 0.0000000), wk = 0.0031949 k( 236) = ( 0.5466287 0.4533713 0.0000000), wk = 0.0031949 k( 237) = ( 0.5408001 0.4591999 0.0000000), wk = 0.0031949 k( 238) = ( 0.5349715 0.4650285 0.0000000), wk = 0.0031949 k( 239) = ( 0.5291429 0.4708571 0.0000000), wk = 0.0031949 k( 240) = ( 0.5233143 0.4766857 0.0000000), wk = 0.0031949 k( 241) = ( 0.5174858 0.4825142 0.0000000), wk = 0.0031949 k( 242) = ( 0.5116572 0.4883428 0.0000000), wk = 0.0031949 k( 243) = ( 0.5058286 0.4941714 0.0000000), wk = 0.0031949 k( 244) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 245) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 246) = ( 0.5272001 0.5272001 0.0289332), wk = 0.0031949 k( 247) = ( 0.5544001 0.5544001 0.0578664), wk = 0.0031949 k( 248) = ( 0.5816002 0.5816002 0.0867996), wk = 0.0031949 k( 249) = ( 0.6088003 0.6088003 0.1157328), wk = 0.0031949 k( 250) = ( 0.6360003 0.6360003 0.1446660), wk = 0.0031949 k( 251) = ( 0.6632004 0.6632004 0.1735992), wk = 0.0031949 k( 252) = ( 0.6632004 0.6632004 0.1735992), wk = 0.0031949 k( 253) = ( 0.6598698 0.6598698 0.1802605), wk = 0.0031949 k( 254) = ( 0.6565391 0.6565391 0.1869217), wk = 0.0031949 k( 255) = ( 0.6532085 0.6532085 0.1935830), wk = 0.0031949 k( 256) = ( 0.6498779 0.6498779 0.2002442), wk = 0.0031949 k( 257) = ( 0.6465473 0.6465473 0.2069054), wk = 0.0031949 k( 258) = ( 0.6432167 0.6432167 0.2135667), wk = 0.0031949 k( 259) = ( 0.6398860 0.6398860 0.2202279), wk = 0.0031949 k( 260) = ( 0.6365554 0.6365554 0.2268892), wk = 0.0031949 k( 261) = ( 0.6332248 0.6332248 0.2335504), wk = 0.0031949 k( 262) = ( 0.6298942 0.6298942 0.2402116), wk = 0.0031949 k( 263) = ( 0.6265636 0.6265636 0.2468729), wk = 0.0031949 k( 264) = ( 0.6232329 0.6232329 0.2535341), wk = 0.0031949 k( 265) = ( 0.6199023 0.6199023 0.2601954), wk = 0.0031949 k( 266) = ( 0.6165717 0.6165717 0.2668566), wk = 0.0031949 k( 267) = ( 0.6132411 0.6132411 0.2735178), wk = 0.0031949 k( 268) = ( 0.6099105 0.6099105 0.2801791), wk = 0.0031949 k( 269) = ( 0.6065798 0.6065798 0.2868403), wk = 0.0031949 k( 270) = ( 0.6032492 0.6032492 0.2935016), wk = 0.0031949 k( 271) = ( 0.5999186 0.5999186 0.3001628), wk = 0.0031949 k( 272) = ( 0.5965880 0.5965880 0.3068240), wk = 0.0031949 k( 273) = ( 0.5932574 0.5932574 0.3134853), wk = 0.0031949 k( 274) = ( 0.5899267 0.5899267 0.3201465), wk = 0.0031949 k( 275) = ( 0.5865961 0.5865961 0.3268078), wk = 0.0031949 k( 276) = ( 0.5832655 0.5832655 0.3334690), wk = 0.0031949 k( 277) = ( 0.5799349 0.5799349 0.3401302), wk = 0.0031949 k( 278) = ( 0.5766043 0.5766043 0.3467915), wk = 0.0031949 k( 279) = ( 0.5732736 0.5732736 0.3534527), wk = 0.0031949 k( 280) = ( 0.5699430 0.5699430 0.3601140), wk = 0.0031949 k( 281) = ( 0.5666124 0.5666124 0.3667752), wk = 0.0031949 k( 282) = ( 0.5632818 0.5632818 0.3734364), wk = 0.0031949 k( 283) = ( 0.5599512 0.5599512 0.3800977), wk = 0.0031949 k( 284) = ( 0.5566205 0.5566205 0.3867589), wk = 0.0031949 k( 285) = ( 0.5532899 0.5532899 0.3934202), wk = 0.0031949 k( 286) = ( 0.5499593 0.5499593 0.4000814), wk = 0.0031949 k( 287) = ( 0.5466287 0.5466287 0.4067426), wk = 0.0031949 k( 288) = ( 0.5432981 0.5432981 0.4134039), wk = 0.0031949 k( 289) = ( 0.5399674 0.5399674 0.4200651), wk = 0.0031949 k( 290) = ( 0.5366368 0.5366368 0.4267264), wk = 0.0031949 k( 291) = ( 0.5333062 0.5333062 0.4333876), wk = 0.0031949 k( 292) = ( 0.5299756 0.5299756 0.4400488), wk = 0.0031949 k( 293) = ( 0.5266450 0.5266450 0.4467101), wk = 0.0031949 k( 294) = ( 0.5233143 0.5233143 0.4533713), wk = 0.0031949 k( 295) = ( 0.5199837 0.5199837 0.4600326), wk = 0.0031949 k( 296) = ( 0.5166531 0.5166531 0.4666938), wk = 0.0031949 k( 297) = ( 0.5133225 0.5133225 0.4733550), wk = 0.0031949 k( 298) = ( 0.5099919 0.5099919 0.4800163), wk = 0.0031949 k( 299) = ( 0.5066612 0.5066612 0.4866775), wk = 0.0031949 k( 300) = ( 0.5033306 0.5033306 0.4933388), wk = 0.0031949 k( 301) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 302) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031949 k( 303) = ( 0.5296728 0.0306182 0.0306181), wk = 0.0031949 k( 304) = ( 0.5593456 0.0612363 0.0612363), wk = 0.0031949 k( 305) = ( 0.5890184 0.0918544 0.0918544), wk = 0.0031949 k( 306) = ( 0.6186912 0.1224726 0.1224726), wk = 0.0031949 k( 307) = ( 0.6483640 0.1530907 0.1530907), wk = 0.0031949 k( 308) = ( 0.6780368 0.1837089 0.1837089), wk = 0.0031949 k( 309) = ( 0.7077096 0.2143270 0.2143270), wk = 0.0031949 k( 310) = ( 0.7373824 0.2449452 0.2449452), wk = 0.0031949 k( 311) = ( 0.7670552 0.2755633 0.2755633), wk = 0.0031949 k( 312) = ( 0.7967280 0.3061815 0.3061815), wk = 0.0031949 k( 313) = ( 0.8264008 0.3367996 0.3367996), wk = 0.0031949 Dense grid: 80591 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 37443 G-vectors FFT dimensions: ( 90, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 126, 58) NL pseudopotentials 0.16 Mb ( 63, 164) Each V/rho on FFT grid 0.44 Mb ( 28800) Each G-vector array 0.01 Mb ( 1120) G-vector shells 0.01 Mb ( 1010) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 126, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.29 Mb ( 164, 2, 58) The potential is recalculated from file : ./HfIN.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.8 secs Computing kpt #: 2 total cpu time spent up to now is 7.8 secs Computing kpt #: 3 total cpu time spent up to now is 9.4 secs Computing kpt #: 4 total cpu time spent up to now is 10.9 secs Computing kpt #: 5 total cpu time spent up to now is 12.6 secs Computing kpt #: 6 total cpu time spent up to now is 14.2 secs Computing kpt #: 7 total cpu time spent up to now is 15.7 secs Computing kpt #: 8 total cpu time spent up to now is 17.3 secs Computing kpt #: 9 total cpu time spent up to now is 18.8 secs Computing kpt #: 10 total cpu time spent up to now is 20.3 secs Computing kpt #: 11 total cpu time spent up to now is 21.9 secs Computing kpt #: 12 total cpu time spent up to now is 23.4 secs Computing kpt #: 13 total cpu time spent up to now is 24.9 secs Computing kpt #: 14 total cpu time spent up to now is 26.4 secs Computing kpt #: 15 total cpu time spent up to now is 27.9 secs Computing kpt #: 16 total cpu time spent up to now is 29.5 secs Computing kpt #: 17 total cpu time spent up to now is 31.0 secs Computing kpt #: 18 total cpu time spent up to now is 32.5 secs Computing kpt #: 19 total cpu time spent up to now is 34.0 secs Computing kpt #: 20 total cpu time spent up to now is 35.6 secs Computing kpt #: 21 total cpu time spent up to now is 37.2 secs Computing kpt #: 22 total cpu time spent up to now is 39.0 secs Computing kpt #: 23 total cpu time spent up to now is 40.8 secs Computing kpt #: 24 total cpu time spent up to now is 42.7 secs Computing kpt #: 25 total cpu time spent up to now is 44.4 secs Computing kpt #: 26 total cpu time spent up to now is 46.0 secs Computing kpt #: 27 total cpu time spent up to now is 47.6 secs Computing kpt #: 28 total cpu time spent up to now is 49.2 secs Computing kpt #: 29 total cpu time spent up to now is 50.8 secs Computing kpt #: 30 total cpu time spent up to now is 52.4 secs Computing kpt #: 31 total cpu time spent up to now is 54.0 secs Computing kpt #: 32 total cpu time spent up to now is 55.6 secs Computing kpt #: 33 total cpu time spent up to now is 57.2 secs Computing kpt #: 34 total cpu time spent up to now is 58.7 secs Computing kpt #: 35 total cpu time spent up to now is 60.4 secs Computing kpt #: 36 total cpu time spent up to now is 62.0 secs Computing kpt #: 37 total cpu time spent up to now is 63.6 secs Computing kpt #: 38 total cpu time spent up to now is 65.2 secs Computing kpt #: 39 total cpu time spent up to now is 66.8 secs Computing kpt #: 40 total cpu time spent up to now is 68.5 secs Computing kpt #: 41 total cpu time spent up to now is 70.0 secs Computing kpt #: 42 total cpu time spent up to now is 71.6 secs Computing kpt #: 43 total cpu time spent up to now is 73.2 secs Computing kpt #: 44 total cpu time spent up to now is 74.8 secs Computing kpt #: 45 total cpu time spent up to now is 76.4 secs Computing kpt #: 46 total cpu time spent up to now is 78.1 secs Computing kpt #: 47 total cpu time spent up to now is 79.7 secs Computing kpt #: 48 total cpu time spent up to now is 81.3 secs Computing kpt #: 49 total cpu time spent up to now is 82.9 secs Computing kpt #: 50 total cpu time spent up to now is 84.5 secs Computing kpt #: 51 total cpu time spent up to now is 86.1 secs Computing kpt #: 52 total cpu time spent up to now is 87.6 secs Computing kpt #: 53 total cpu time spent up to now is 89.2 secs Computing kpt #: 54 total cpu time spent up to now is 90.8 secs Computing kpt #: 55 total cpu time spent up to now is 92.5 secs Computing kpt #: 56 total cpu time spent up to now is 94.1 secs Computing kpt #: 57 total cpu time spent up to now is 95.7 secs Computing kpt #: 58 total cpu time spent up to now is 97.3 secs Computing kpt #: 59 total cpu time spent up to now is 98.8 secs Computing kpt #: 60 total cpu time spent up to now is 100.3 secs Computing kpt #: 61 total cpu time spent up to now is 101.9 secs Computing kpt #: 62 total cpu time spent up to now is 103.5 secs Computing kpt #: 63 total cpu time spent up to now is 105.2 secs Computing kpt #: 64 total cpu time spent up to now is 106.8 secs Computing kpt #: 65 total cpu time spent up to now is 108.4 secs Computing kpt #: 66 total cpu time spent up to now is 110.0 secs Computing kpt #: 67 total cpu time spent up to now is 111.6 secs Computing kpt #: 68 total cpu time spent up to now is 113.2 secs Computing kpt #: 69 total cpu time spent up to now is 114.8 secs Computing kpt #: 70 total cpu time spent up to now is 116.4 secs Computing kpt #: 71 total cpu time spent up to now is 118.0 secs Computing kpt #: 72 total cpu time spent up to now is 119.6 secs Computing kpt #: 73 total cpu time spent up to now is 121.2 secs Computing kpt #: 74 total cpu time spent up to now is 122.8 secs Computing kpt #: 75 total cpu time spent up to now is 124.4 secs Computing kpt #: 76 total cpu time spent up to now is 126.0 secs Computing kpt #: 77 total cpu time spent up to now is 127.6 secs Computing kpt #: 78 total cpu time spent up to now is 129.2 secs Computing kpt #: 79 total cpu time spent up to now is 130.8 secs Computing kpt #: 80 total cpu time spent up to now is 132.4 secs Computing kpt #: 81 total cpu time spent up to now is 134.0 secs Computing kpt #: 82 total cpu time spent up to now is 135.8 secs Computing kpt #: 83 total cpu time spent up to now is 137.5 secs Computing kpt #: 84 total cpu time spent up to now is 139.1 secs Computing kpt #: 85 total cpu time spent up to now is 140.7 secs Computing kpt #: 86 total cpu time spent up to now is 142.3 secs Computing kpt #: 87 total cpu time spent up to now is 143.9 secs Computing kpt #: 88 total cpu time spent up to now is 145.4 secs Computing kpt #: 89 total cpu time spent up to now is 147.0 secs Computing kpt #: 90 total cpu time spent up to now is 148.5 secs Computing kpt #: 91 total cpu time spent up to now is 150.1 secs Computing kpt #: 92 total cpu time spent up to now is 151.7 secs Computing kpt #: 93 total cpu time spent up to now is 153.2 secs Computing kpt #: 94 total cpu time spent up to now is 154.8 secs Computing kpt #: 95 total cpu time spent up to now is 156.4 secs Computing kpt #: 96 total cpu time spent up to now is 158.0 secs Computing kpt #: 97 total cpu time spent up to now is 159.6 secs Computing kpt #: 98 total cpu time spent up to now is 161.1 secs Computing kpt #: 99 total cpu time spent up to now is 162.6 secs Computing kpt #: 100 total cpu time spent up to now is 164.2 secs Computing kpt #: 101 total cpu time spent up to now is 165.8 secs Computing kpt #: 102 total cpu time spent up to now is 167.4 secs Computing kpt #: 103 total cpu time spent up to now is 169.0 secs Computing kpt #: 104 total cpu time spent up to now is 170.6 secs Computing kpt #: 105 total cpu time spent up to now is 172.3 secs Computing kpt #: 106 total cpu time spent up to now is 174.0 secs Computing kpt #: 107 total cpu time spent up to now is 175.7 secs Computing kpt #: 108 total cpu time spent up to now is 177.5 secs Computing kpt #: 109 total cpu time spent up to now is 179.3 secs Computing kpt #: 110 total cpu time spent up to now is 181.1 secs Computing kpt #: 111 total cpu time spent up to now is 182.7 secs Computing kpt #: 112 total cpu time spent up to now is 184.5 secs Computing kpt #: 113 total cpu time spent up to now is 186.2 secs Computing kpt #: 114 total cpu time spent up to now is 188.1 secs Computing kpt #: 115 total cpu time spent up to now is 189.9 secs Computing kpt #: 116 total cpu time spent up to now is 191.5 secs Computing kpt #: 117 total cpu time spent up to now is 193.0 secs Computing kpt #: 118 total cpu time spent up to now is 194.6 secs Computing kpt #: 119 total cpu time spent up to now is 196.2 secs Computing kpt #: 120 total cpu time spent up to now is 197.8 secs Computing kpt #: 121 total cpu time spent up to now is 199.4 secs Computing kpt #: 122 total cpu time spent up to now is 200.9 secs Computing kpt #: 123 total cpu time spent up to now is 202.5 secs Computing kpt #: 124 total cpu time spent up to now is 204.1 secs Computing kpt #: 125 total cpu time spent up to now is 205.6 secs Computing kpt #: 126 total cpu time spent up to now is 207.2 secs Computing kpt #: 127 total cpu time spent up to now is 208.8 secs Computing kpt #: 128 total cpu time spent up to now is 210.4 secs Computing kpt #: 129 total cpu time spent up to now is 212.0 secs Computing kpt #: 130 total cpu time spent up to now is 213.6 secs Computing kpt #: 131 total cpu time spent up to now is 215.2 secs Computing kpt #: 132 total cpu time spent up to now is 216.8 secs Computing kpt #: 133 total cpu time spent up to now is 218.4 secs Computing kpt #: 134 total cpu time spent up to now is 220.0 secs Computing kpt #: 135 total cpu time spent up to now is 221.6 secs Computing kpt #: 136 total cpu time spent up to now is 223.1 secs Computing kpt #: 137 total cpu time spent up to now is 224.7 secs Computing kpt #: 138 total cpu time spent up to now is 226.5 secs Computing kpt #: 139 total cpu time spent up to now is 228.2 secs Computing kpt #: 140 total cpu time spent up to now is 229.7 secs Computing kpt #: 141 total cpu time spent up to now is 231.3 secs Computing kpt #: 142 total cpu time spent up to now is 233.0 secs Computing kpt #: 143 total cpu time spent up to now is 234.8 secs Computing kpt #: 144 total cpu time spent up to now is 236.6 secs Computing kpt #: 145 total cpu time spent up to now is 238.3 secs Computing kpt #: 146 total cpu time spent up to now is 239.9 secs Computing kpt #: 147 total cpu time spent up to now is 241.4 secs Computing kpt #: 148 total cpu time spent up to now is 242.9 secs Computing kpt #: 149 total cpu time spent up to now is 244.5 secs Computing kpt #: 150 total cpu time spent up to now is 246.3 secs Computing kpt #: 151 total cpu time spent up to now is 248.2 secs Computing kpt #: 152 total cpu time spent up to now is 250.0 secs Computing kpt #: 153 total cpu time spent up to now is 251.8 secs Computing kpt #: 154 total cpu time spent up to now is 253.7 secs Computing kpt #: 155 total cpu time spent up to now is 255.4 secs Computing kpt #: 156 total cpu time spent up to now is 257.8 secs Computing kpt #: 157 total cpu time spent up to now is 259.6 secs Computing kpt #: 158 total cpu time spent up to now is 261.2 secs Computing kpt #: 159 total cpu time spent up to now is 263.0 secs Computing kpt #: 160 total cpu time spent up to now is 264.7 secs Computing kpt #: 161 total cpu time spent up to now is 266.2 secs Computing kpt #: 162 total cpu time spent up to now is 267.8 secs Computing kpt #: 163 total cpu time spent up to now is 269.4 secs Computing kpt #: 164 total cpu time spent up to now is 271.0 secs Computing kpt #: 165 total cpu time spent up to now is 272.6 secs Computing kpt #: 166 total cpu time spent up to now is 274.1 secs Computing kpt #: 167 total cpu time spent up to now is 275.5 secs Computing kpt #: 168 total cpu time spent up to now is 277.1 secs Computing kpt #: 169 total cpu time spent up to now is 278.6 secs Computing kpt #: 170 total cpu time spent up to now is 280.1 secs Computing kpt #: 171 total cpu time spent up to now is 281.5 secs Computing kpt #: 172 total cpu time spent up to now is 283.0 secs Computing kpt #: 173 total cpu time spent up to now is 284.6 secs Computing kpt #: 174 total cpu time spent up to now is 286.1 secs Computing kpt #: 175 total cpu time spent up to now is 287.7 secs Computing kpt #: 176 total cpu time spent up to now is 289.4 secs Computing kpt #: 177 total cpu time spent up to now is 291.0 secs Computing kpt #: 178 total cpu time spent up to now is 292.6 secs Computing kpt #: 179 total cpu time spent up to now is 294.5 secs Computing kpt #: 180 total cpu time spent up to now is 296.0 secs Computing kpt #: 181 total cpu time spent up to now is 297.6 secs Computing kpt #: 182 total cpu time spent up to now is 299.2 secs Computing kpt #: 183 total cpu time spent up to now is 300.7 secs Computing kpt #: 184 total cpu time spent up to now is 302.2 secs Computing kpt #: 185 total cpu time spent up to now is 303.8 secs Computing kpt #: 186 total cpu time spent up to now is 305.3 secs Computing kpt #: 187 total cpu time spent up to now is 306.8 secs Computing kpt #: 188 total cpu time spent up to now is 308.4 secs Computing kpt #: 189 total cpu time spent up to now is 309.9 secs Computing kpt #: 190 total cpu time spent up to now is 311.4 secs Computing kpt #: 191 total cpu time spent up to now is 313.0 secs Computing kpt #: 192 total cpu time spent up to now is 314.6 secs Computing kpt #: 193 total cpu time spent up to now is 316.1 secs Computing kpt #: 194 total cpu time spent up to now is 317.6 secs Computing kpt #: 195 total cpu time spent up to now is 319.2 secs Computing kpt #: 196 total cpu time spent up to now is 320.8 secs Computing kpt #: 197 total cpu time spent up to now is 322.3 secs Computing kpt #: 198 total cpu time spent up to now is 323.9 secs Computing kpt #: 199 total cpu time spent up to now is 325.5 secs Computing kpt #: 200 total cpu time spent up to now is 327.0 secs Computing kpt #: 201 total cpu time spent up to now is 328.6 secs Computing kpt #: 202 total cpu time spent up to now is 330.1 secs Computing kpt #: 203 total cpu time spent up to now is 331.6 secs Computing kpt #: 204 total cpu time spent up to now is 333.1 secs Computing kpt #: 205 total cpu time spent up to now is 334.7 secs Computing kpt #: 206 total cpu time spent up to now is 336.2 secs Computing kpt #: 207 total cpu time spent up to now is 337.9 secs Computing kpt #: 208 total cpu time spent up to now is 339.5 secs Computing kpt #: 209 total cpu time spent up to now is 341.1 secs Computing kpt #: 210 total cpu time spent up to now is 342.7 secs Computing kpt #: 211 total cpu time spent up to now is 344.2 secs Computing kpt #: 212 total cpu time spent up to now is 345.9 secs Computing kpt #: 213 total cpu time spent up to now is 347.5 secs Computing kpt #: 214 total cpu time spent up to now is 349.1 secs Computing kpt #: 215 total cpu time spent up to now is 350.7 secs Computing kpt #: 216 total cpu time spent up to now is 352.3 secs Computing kpt #: 217 total cpu time spent up to now is 353.9 secs Computing kpt #: 218 total cpu time spent up to now is 355.5 secs Computing kpt #: 219 total cpu time spent up to now is 357.1 secs Computing kpt #: 220 total cpu time spent up to now is 358.7 secs Computing kpt #: 221 total cpu time spent up to now is 360.3 secs Computing kpt #: 222 total cpu time spent up to now is 361.9 secs Computing kpt #: 223 total cpu time spent up to now is 363.6 secs Computing kpt #: 224 total cpu time spent up to now is 365.2 secs Computing kpt #: 225 total cpu time spent up to now is 366.8 secs Computing kpt #: 226 total cpu time spent up to now is 368.4 secs Computing kpt #: 227 total cpu time spent up to now is 370.0 secs Computing kpt #: 228 total cpu time spent up to now is 371.6 secs Computing kpt #: 229 total cpu time spent up to now is 373.1 secs Computing kpt #: 230 total cpu time spent up to now is 374.7 secs Computing kpt #: 231 total cpu time spent up to now is 376.3 secs Computing kpt #: 232 total cpu time spent up to now is 378.0 secs Computing kpt #: 233 total cpu time spent up to now is 379.5 secs Computing kpt #: 234 total cpu time spent up to now is 381.2 secs Computing kpt #: 235 total cpu time spent up to now is 382.8 secs Computing kpt #: 236 total cpu time spent up to now is 384.4 secs Computing kpt #: 237 total cpu time spent up to now is 386.0 secs Computing kpt #: 238 total cpu time spent up to now is 387.6 secs Computing kpt #: 239 total cpu time spent up to now is 389.3 secs Computing kpt #: 240 total cpu time spent up to now is 390.8 secs Computing kpt #: 241 total cpu time spent up to now is 392.4 secs Computing kpt #: 242 total cpu time spent up to now is 394.1 secs Computing kpt #: 243 total cpu time spent up to now is 395.7 secs Computing kpt #: 244 total cpu time spent up to now is 397.3 secs Computing kpt #: 245 total cpu time spent up to now is 398.9 secs Computing kpt #: 246 total cpu time spent up to now is 400.5 secs Computing kpt #: 247 total cpu time spent up to now is 402.1 secs Computing kpt #: 248 total cpu time spent up to now is 403.7 secs Computing kpt #: 249 total cpu time spent up to now is 405.4 secs Computing kpt #: 250 total cpu time spent up to now is 407.0 secs Computing kpt #: 251 total cpu time spent up to now is 408.6 secs Computing kpt #: 252 total cpu time spent up to now is 410.1 secs Computing kpt #: 253 total cpu time spent up to now is 411.8 secs Computing kpt #: 254 total cpu time spent up to now is 413.4 secs Computing kpt #: 255 total cpu time spent up to now is 415.0 secs Computing kpt #: 256 total cpu time spent up to now is 416.6 secs Computing kpt #: 257 total cpu time spent up to now is 418.2 secs Computing kpt #: 258 total cpu time spent up to now is 419.8 secs Computing kpt #: 259 total cpu time spent up to now is 421.4 secs Computing kpt #: 260 total cpu time spent up to now is 423.0 secs Computing kpt #: 261 total cpu time spent up to now is 424.6 secs Computing kpt #: 262 total cpu time spent up to now is 426.2 secs Computing kpt #: 263 total cpu time spent up to now is 427.7 secs Computing kpt #: 264 total cpu time spent up to now is 429.4 secs Computing kpt #: 265 total cpu time spent up to now is 431.0 secs Computing kpt #: 266 total cpu time spent up to now is 432.6 secs Computing kpt #: 267 total cpu time spent up to now is 434.1 secs Computing kpt #: 268 total cpu time spent up to now is 435.7 secs Computing kpt #: 269 total cpu time spent up to now is 437.3 secs Computing kpt #: 270 total cpu time spent up to now is 438.9 secs Computing kpt #: 271 total cpu time spent up to now is 440.5 secs Computing kpt #: 272 total cpu time spent up to now is 442.3 secs Computing kpt #: 273 total cpu time spent up to now is 443.9 secs Computing kpt #: 274 total cpu time spent up to now is 445.6 secs Computing kpt #: 275 total cpu time spent up to now is 447.1 secs Computing kpt #: 276 total cpu time spent up to now is 449.4 secs Computing kpt #: 277 total cpu time spent up to now is 451.0 secs Computing kpt #: 278 total cpu time spent up to now is 452.5 secs Computing kpt #: 279 total cpu time spent up to now is 454.1 secs Computing kpt #: 280 total cpu time spent up to now is 455.6 secs Computing kpt #: 281 total cpu time spent up to now is 457.2 secs Computing kpt #: 282 total cpu time spent up to now is 458.7 secs Computing kpt #: 283 total cpu time spent up to now is 460.3 secs Computing kpt #: 284 total cpu time spent up to now is 461.9 secs Computing kpt #: 285 total cpu time spent up to now is 463.5 secs Computing kpt #: 286 total cpu time spent up to now is 465.2 secs Computing kpt #: 287 total cpu time spent up to now is 466.7 secs Computing kpt #: 288 total cpu time spent up to now is 468.3 secs Computing kpt #: 289 total cpu time spent up to now is 469.9 secs Computing kpt #: 290 total cpu time spent up to now is 471.5 secs Computing kpt #: 291 total cpu time spent up to now is 473.0 secs Computing kpt #: 292 total cpu time spent up to now is 474.5 secs Computing kpt #: 293 total cpu time spent up to now is 476.1 secs Computing kpt #: 294 total cpu time spent up to now is 477.7 secs Computing kpt #: 295 total cpu time spent up to now is 479.5 secs Computing kpt #: 296 total cpu time spent up to now is 481.1 secs Computing kpt #: 297 total cpu time spent up to now is 482.7 secs Computing kpt #: 298 total cpu time spent up to now is 484.3 secs Computing kpt #: 299 total cpu time spent up to now is 485.8 secs Computing kpt #: 300 total cpu time spent up to now is 487.6 secs Computing kpt #: 301 total cpu time spent up to now is 489.3 secs Computing kpt #: 302 total cpu time spent up to now is 491.0 secs Computing kpt #: 303 total cpu time spent up to now is 492.6 secs Computing kpt #: 304 total cpu time spent up to now is 494.2 secs Computing kpt #: 305 total cpu time spent up to now is 495.8 secs Computing kpt #: 306 total cpu time spent up to now is 497.4 secs Computing kpt #: 307 total cpu time spent up to now is 499.0 secs Computing kpt #: 308 total cpu time spent up to now is 500.6 secs Computing kpt #: 309 total cpu time spent up to now is 502.2 secs Computing kpt #: 310 total cpu time spent up to now is 503.8 secs Computing kpt #: 311 total cpu time spent up to now is 505.4 secs Computing kpt #: 312 total cpu time spent up to now is 507.0 secs Computing kpt #: 313 total cpu time spent up to now is 508.6 secs ethr = 2.08E-08, avg # of iterations = 19.1 total cpu time spent up to now is 508.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4699 PWs) bands (ev): -52.4193 -52.4193 -52.3995 -52.3995 -26.7606 -26.7606 -26.6766 -26.6766 -19.2070 -19.2070 -18.9985 -18.9985 -18.9117 -18.9117 -18.9054 -18.9054 -5.3612 -5.3612 -4.3972 -4.3972 -3.6012 -3.6012 -3.4190 -3.4190 4.6583 4.6583 4.9489 4.9489 4.9806 4.9806 5.5547 5.5547 5.5585 5.5585 5.6546 5.6546 6.0562 6.0562 8.6548 8.6548 8.9814 8.9814 9.3979 9.3979 9.7458 9.7458 9.7951 9.7951 11.6118 11.6118 11.8709 11.8709 11.9111 11.9111 12.8078 12.8078 13.1354 13.1354 k = 0.0100-0.0276-0.0162 ( 4692 PWs) bands (ev): -52.4192 -52.4192 -52.3995 -52.3995 -26.7605 -26.7605 -26.6766 -26.6766 -19.2070 -19.2070 -18.9987 -18.9987 -18.9118 -18.9118 -18.9054 -18.9054 -5.3601 -5.3601 -4.3963 -4.3963 -3.6006 -3.6006 -3.4186 -3.4186 4.6583 4.6583 4.9468 4.9468 4.9787 4.9787 5.5538 5.5538 5.5626 5.5626 5.6544 5.6544 6.0599 6.0599 8.6508 8.6508 8.9774 8.9774 9.3947 9.3947 9.7402 9.7402 9.7908 9.7908 11.6154 11.6154 11.8731 11.8731 11.9122 11.9122 12.8099 12.8099 13.1391 13.1391 k = 0.0200-0.0552-0.0325 ( 4688 PWs) bands (ev): -52.4192 -52.4192 -52.3995 -52.3995 -26.7606 -26.7606 -26.6767 -26.6767 -19.2070 -19.2070 -18.9994 -18.9994 -18.9123 -18.9123 -18.9054 -18.9054 -5.3569 -5.3569 -4.3937 -4.3937 -3.5989 -3.5989 -3.4174 -3.4174 4.6583 4.6583 4.9385 4.9385 4.9753 4.9753 5.5503 5.5503 5.5740 5.5740 5.6552 5.6552 6.0706 6.0706 8.6387 8.6387 8.9656 8.9656 9.3853 9.3853 9.7237 9.7237 9.7783 9.7783 11.6263 11.6263 11.8797 11.8797 11.9156 11.9156 12.8160 12.8160 13.1498 13.1498 k = 0.0300-0.0827-0.0487 ( 4683 PWs) bands (ev): -52.4192 -52.4192 -52.3995 -52.3995 -26.7606 -26.7606 -26.6770 -26.6770 -19.2070 -19.2070 -19.0005 -19.0005 -18.9131 -18.9131 -18.9054 -18.9054 -5.3515 -5.3515 -4.3892 -4.3892 -3.5960 -3.5960 -3.4154 -3.4154 4.6582 4.6582 4.9216 4.9216 4.9743 4.9743 5.5425 5.5425 5.5904 5.5904 5.6606 5.6606 6.0876 6.0876 8.6184 8.6184 8.9458 8.9458 9.3696 9.3696 9.6972 9.6972 9.7580 9.7580 11.6441 11.6441 11.8902 11.8902 11.9212 11.9212 12.8257 12.8257 13.1672 13.1672 k = 0.0400-0.1103-0.0650 ( 4683 PWs) bands (ev): -52.4191 -52.4191 -52.3995 -52.3995 -26.7608 -26.7608 -26.6773 -26.6773 -19.2071 -19.2071 -19.0022 -19.0022 -18.9142 -18.9142 -18.9054 -18.9054 -5.3439 -5.3439 -4.3831 -4.3831 -3.5920 -3.5920 -3.4126 -3.4126 4.6579 4.6579 4.8974 4.8974 4.9762 4.9762 5.5290 5.5290 5.6088 5.6088 5.6746 5.6746 6.1095 6.1095 8.5898 8.5898 8.9180 8.9180 9.3479 9.3479 9.6617 9.6617 9.7312 9.7312 11.6685 11.6685 11.9042 11.9042 11.9293 11.9293 12.8385 12.8385 13.1860 13.1860 k = 0.0500-0.1379-0.0812 ( 4683 PWs) bands (ev): -52.4190 -52.4190 -52.3995 -52.3995 -26.7610 -26.7610 -26.6778 -26.6778 -19.2072 -19.2072 -19.0042 -19.0042 -18.9158 -18.9158 -18.9054 -18.9054 -5.3343 -5.3343 -4.3752 -4.3752 -3.5869 -3.5869 -3.4091 -3.4091 4.6571 4.6571 4.8686 4.8686 4.9800 4.9800 5.5103 5.5103 5.6274 5.6274 5.6980 5.6980 6.1352 6.1352 8.5526 8.5526 8.8820 8.8820 9.3202 9.3202 9.6189 9.6189 9.6991 9.6991 11.6989 11.6989 11.9202 11.9202 11.9406 11.9406 12.8536 12.8536 13.1930 13.1930 k = 0.0600-0.1655-0.0975 ( 4682 PWs) bands (ev): -52.4189 -52.4189 -52.3994 -52.3994 -26.7611 -26.7611 -26.6784 -26.6784 -19.2072 -19.2072 -19.0067 -19.0067 -18.9177 -18.9177 -18.9054 -18.9054 -5.3225 -5.3225 -4.3657 -4.3657 -3.5806 -3.5806 -3.4047 -3.4047 4.6554 4.6554 4.8376 4.8376 4.9854 4.9854 5.4876 5.4876 5.6466 5.6466 5.7286 5.7286 6.1639 6.1639 8.5067 8.5067 8.8378 8.8378 9.2869 9.2869 9.5703 9.5703 9.6631 9.6631 11.7343 11.7343 11.9352 11.9352 11.9581 11.9581 12.8705 12.8705 13.1974 13.1974 k = 0.0700-0.1930-0.1137 ( 4676 PWs) bands (ev): -52.4188 -52.4188 -52.3994 -52.3994 -26.7613 -26.7613 -26.6791 -26.6791 -19.2073 -19.2073 -19.0095 -19.0095 -18.9200 -18.9200 -18.9054 -18.9054 -5.3087 -5.3087 -4.3545 -4.3545 -3.5732 -3.5732 -3.3995 -3.3995 4.6517 4.6517 4.8065 4.8065 4.9919 4.9919 5.4623 5.4623 5.6676 5.6676 5.7636 5.7636 6.1946 6.1946 8.4522 8.4522 8.7853 8.7853 9.2486 9.2486 9.5176 9.5176 9.6244 9.6244 11.7733 11.7733 11.9481 11.9481 11.9831 11.9831 12.8890 12.8890 13.2030 13.2030 k = 0.0800-0.2206-0.1300 ( 4677 PWs) bands (ev): -52.4186 -52.4186 -52.3994 -52.3994 -26.7615 -26.7615 -26.6800 -26.6800 -19.2074 -19.2074 -19.0127 -19.0127 -18.9226 -18.9226 -18.9054 -18.9054 -5.2929 -5.2929 -4.3418 -4.3418 -3.5648 -3.5648 -3.3936 -3.3936 4.6447 4.6447 4.7778 4.7778 4.9996 4.9996 5.4356 5.4356 5.6911 5.6911 5.8008 5.8008 6.2267 6.2267 8.3890 8.3890 8.7244 8.7244 9.2060 9.2060 9.4625 9.4625 9.5840 9.5840 11.8139 11.8139 11.9602 11.9602 12.0151 12.0151 12.9089 12.9089 13.2105 13.2105 k = 0.0900-0.2482-0.1462 ( 4678 PWs) bands (ev): -52.4184 -52.4184 -52.3994 -52.3994 -26.7618 -26.7618 -26.6809 -26.6809 -19.2076 -19.2076 -19.0162 -19.0162 -18.9256 -18.9256 -18.9055 -18.9055 -5.2752 -5.2752 -4.3276 -4.3276 -3.5552 -3.5552 -3.3869 -3.3869 4.6321 4.6321 4.7544 4.7544 5.0082 5.0082 5.4084 5.4084 5.7171 5.7171 5.8387 5.8387 6.2598 6.2598 8.3176 8.3176 8.6554 8.6554 9.1599 9.1599 9.4064 9.4064 9.5425 9.5425 11.8534 11.8534 11.9727 11.9727 12.0544 12.0544 12.9304 12.9304 13.2199 13.2199 k = 0.1000-0.2758-0.1625 ( 4679 PWs) bands (ev): -52.4183 -52.4183 -52.3994 -52.3994 -26.7621 -26.7621 -26.6819 -26.6819 -19.2078 -19.2078 -19.0201 -19.0201 -18.9288 -18.9288 -18.9056 -18.9056 -5.2555 -5.2555 -4.3119 -4.3119 -3.5447 -3.5447 -3.3793 -3.3793 4.6122 4.6122 4.7385 4.7385 5.0176 5.0176 5.3814 5.3814 5.7459 5.7459 5.8765 5.8765 6.2933 6.2933 8.2384 8.2384 8.5787 8.5787 9.1113 9.1113 9.3501 9.3501 9.5002 9.5002 11.8887 11.8887 11.9868 11.9868 12.1020 12.1020 12.9537 12.9537 13.2314 13.2314 k = 0.1100-0.3033-0.1787 ( 4683 PWs) bands (ev): -52.4181 -52.4181 -52.3993 -52.3993 -26.7625 -26.7625 -26.6831 -26.6831 -19.2080 -19.2080 -19.0243 -19.0243 -18.9323 -18.9323 -18.9057 -18.9057 -5.2340 -5.2340 -4.2949 -4.2949 -3.5331 -3.5331 -3.3710 -3.3710 4.5857 4.5857 4.7297 4.7297 5.0278 5.0278 5.3553 5.3553 5.7774 5.7774 5.9133 5.9133 6.3268 6.3268 8.1522 8.1522 8.4951 8.4951 9.0610 9.0610 9.2944 9.2944 9.4576 9.4576 11.9175 11.9175 12.0034 12.0034 12.1583 12.1583 12.9791 12.9791 13.2448 13.2448 k = 0.1200-0.3309-0.1950 ( 4679 PWs) bands (ev): -52.4178 -52.4178 -52.3993 -52.3993 -26.7629 -26.7629 -26.6842 -26.6842 -19.2083 -19.2083 -19.0287 -19.0287 -18.9361 -18.9361 -18.9059 -18.9059 -5.2107 -5.2107 -4.2767 -4.2767 -3.5205 -3.5205 -3.3618 -3.3618 4.5549 4.5549 4.7262 4.7262 5.0386 5.0386 5.3306 5.3306 5.8115 5.8115 5.9486 5.9486 6.3599 6.3599 8.0598 8.0598 8.4058 8.4058 9.0099 9.0099 9.2395 9.2395 9.4146 9.4146 11.9389 11.9389 12.0230 12.0230 12.2223 12.2223 13.0070 13.0070 13.2600 13.2600 k = 0.1300-0.3585-0.2112 ( 4683 PWs) bands (ev): -52.4176 -52.4176 -52.3993 -52.3993 -26.7633 -26.7633 -26.6856 -26.6856 -19.2086 -19.2086 -19.0334 -19.0334 -18.9401 -18.9401 -18.9062 -18.9062 -5.1858 -5.1858 -4.2572 -4.2572 -3.5069 -3.5069 -3.3519 -3.3519 4.5218 4.5218 4.7260 4.7260 5.0496 5.0496 5.3077 5.3077 5.8481 5.8481 5.9817 5.9817 6.3921 6.3921 7.9618 7.9618 8.3123 8.3123 8.9585 8.9585 9.1855 9.1855 9.3713 9.3713 11.9542 11.9542 12.0450 12.0450 12.2925 12.2925 13.0376 13.0376 13.2769 13.2769 k = 0.1400-0.3861-0.2275 ( 4682 PWs) bands (ev): -52.4174 -52.4174 -52.3993 -52.3993 -26.7636 -26.7636 -26.6870 -26.6870 -19.2089 -19.2089 -19.0383 -19.0383 -18.9443 -18.9443 -18.9066 -18.9066 -5.1592 -5.1592 -4.2368 -4.2368 -3.4925 -3.4925 -3.3410 -3.3410 4.4878 4.4878 4.7280 4.7280 5.0606 5.0606 5.2875 5.2875 5.8871 5.8871 6.0122 6.0122 6.4230 6.4230 7.8592 7.8592 8.2163 8.2163 8.9072 8.9072 9.1323 9.1323 9.3278 9.3278 11.9653 11.9653 12.0681 12.0681 12.3669 12.3669 13.0712 13.0712 13.2955 13.2955 k = 0.1500-0.4137-0.2437 ( 4682 PWs) bands (ev): -52.4171 -52.4171 -52.3992 -52.3992 -26.7640 -26.7640 -26.6884 -26.6884 -19.2093 -19.2093 -19.0434 -19.0434 -18.9487 -18.9487 -18.9070 -18.9070 -5.1311 -5.1311 -4.2154 -4.2154 -3.4771 -3.4771 -3.3294 -3.3294 4.4537 4.4537 4.7314 4.7314 5.0712 5.0712 5.2703 5.2703 5.9283 5.9283 6.0393 6.0393 6.4522 6.4522 7.7526 7.7526 8.1200 8.1200 8.8562 8.8562 9.0800 9.0800 9.2841 9.2841 11.9738 11.9738 12.0914 12.0914 12.4434 12.4434 13.1080 13.1080 13.3162 13.3162 k = 0.1600-0.4412-0.2600 ( 4676 PWs) bands (ev): -52.4168 -52.4168 -52.3992 -52.3992 -26.7644 -26.7644 -26.6899 -26.6899 -19.2097 -19.2097 -19.0487 -19.0487 -18.9531 -18.9531 -18.9075 -18.9075 -5.1016 -5.1016 -4.1932 -4.1932 -3.4609 -3.4609 -3.3168 -3.3168 4.4199 4.4199 4.7360 4.7360 5.0807 5.0807 5.2571 5.2571 5.9716 5.9716 6.0627 6.0627 6.4791 6.4791 7.6427 7.6427 8.0253 8.0253 8.8056 8.8056 9.0282 9.0282 9.2403 9.2403 11.9808 11.9808 12.1143 12.1143 12.5203 12.5203 13.1473 13.1473 13.3396 13.3396 k = 0.1700-0.4688-0.2762 ( 4681 PWs) bands (ev): -52.4165 -52.4165 -52.3992 -52.3992 -26.7649 -26.7649 -26.6916 -26.6916 -19.2102 -19.2102 -19.0542 -19.0542 -18.9577 -18.9577 -18.9082 -18.9082 -5.0707 -5.0707 -4.1703 -4.1703 -3.4439 -3.4439 -3.3034 -3.3034 4.3866 4.3866 4.7416 4.7416 5.0884 5.0884 5.2485 5.2485 6.0162 6.0162 6.0819 6.0819 6.5034 6.5034 7.5300 7.5300 7.9345 7.9345 8.7556 8.7556 8.9771 8.9771 9.1965 9.1965 11.9869 11.9869 12.1366 12.1366 12.5956 12.5956 13.1881 13.1881 13.3668 13.3668 k = 0.1800-0.4964-0.2925 ( 4675 PWs) bands (ev): -52.4162 -52.4162 -52.3992 -52.3992 -26.7653 -26.7653 -26.6932 -26.6932 -19.2108 -19.2108 -19.0597 -19.0597 -18.9624 -18.9624 -18.9089 -18.9089 -5.0387 -5.0387 -4.1469 -4.1469 -3.4261 -3.4261 -3.2891 -3.2891 4.3539 4.3539 4.7480 4.7480 5.0938 5.0938 5.2452 5.2452 6.0595 6.0595 6.0986 6.0986 6.5247 6.5247 7.4154 7.4154 7.8494 7.8494 8.7061 8.7061 8.9264 8.9264 9.1528 9.1528 11.9925 11.9925 12.1582 12.1582 12.6677 12.6677 13.2282 13.2282 13.3996 13.3996 k = 0.1900-0.5240-0.3087 ( 4678 PWs) bands (ev): -52.4159 -52.4159 -52.3992 -52.3992 -26.7657 -26.7657 -26.6950 -26.6950 -19.2114 -19.2114 -19.0655 -19.0655 -18.9671 -18.9671 -18.9097 -18.9097 -5.0055 -5.0055 -4.1232 -4.1232 -3.4077 -3.4077 -3.2738 -3.2738 4.3219 4.3219 4.7554 4.7554 5.0967 5.0967 5.2473 5.2473 6.0861 6.0861 6.1271 6.1271 6.5426 6.5426 7.2997 7.2997 7.7718 7.7718 8.6572 8.6572 8.8763 8.8763 9.1093 9.1093 11.9980 11.9980 12.1789 12.1789 12.7353 12.7353 13.2646 13.2646 13.4396 13.4396 k = 0.2000-0.5515-0.3250 ( 4675 PWs) bands (ev): -52.4156 -52.4156 -52.3991 -52.3991 -26.7662 -26.7662 -26.6967 -26.6967 -19.2121 -19.2121 -19.0713 -19.0713 -18.9717 -18.9717 -18.9105 -18.9105 -4.9713 -4.9713 -4.0992 -4.0992 -3.3885 -3.3885 -3.2575 -3.2575 4.2906 4.2906 4.7636 4.7636 5.0975 5.0975 5.2543 5.2543 6.0888 6.0888 6.1736 6.1736 6.5563 6.5563 7.1844 7.1844 7.7031 7.7031 8.6090 8.6090 8.8265 8.8265 9.0662 9.0662 12.0035 12.0035 12.1989 12.1989 12.7976 12.7976 13.2953 13.2953 13.4865 13.4865 k = 0.2100-0.5791-0.3412 ( 4671 PWs) bands (ev): -52.4153 -52.4153 -52.3991 -52.3991 -26.7665 -26.7665 -26.6986 -26.6986 -19.2128 -19.2128 -19.0772 -19.0772 -18.9765 -18.9765 -18.9115 -18.9115 -4.9363 -4.9363 -4.0752 -4.0752 -3.3687 -3.3687 -3.2402 -3.2402 4.2600 4.2600 4.7728 4.7728 5.0970 5.0970 5.2652 5.2652 6.0795 6.0795 6.2252 6.2252 6.5644 6.5644 7.0720 7.0720 7.6441 7.6441 8.5616 8.5616 8.7773 8.7773 9.0236 9.0236 12.0094 12.0094 12.2181 12.2181 12.8542 12.8542 13.3201 13.3201 13.5362 13.5362 k = 0.2200-0.6067-0.3575 ( 4673 PWs) bands (ev): -52.4149 -52.4149 -52.3991 -52.3991 -26.7670 -26.7670 -26.7005 -26.7005 -19.2137 -19.2137 -19.0832 -19.0832 -18.9811 -18.9811 -18.9125 -18.9125 -4.9005 -4.9005 -4.0514 -4.0514 -3.3484 -3.3484 -3.2220 -3.2220 4.2299 4.2299 4.7830 4.7830 5.0960 5.0960 5.2791 5.2791 6.0608 6.0608 6.2787 6.2787 6.5638 6.5638 6.9672 6.9672 7.5947 7.5947 8.5150 8.5150 8.7286 8.7286 8.9817 8.9817 12.0157 12.0157 12.2366 12.2366 12.9047 12.9047 13.3398 13.3398 13.5824 13.5824 k = 0.2300-0.6343-0.3737 ( 4675 PWs) bands (ev): -52.4146 -52.4146 -52.3991 -52.3991 -26.7674 -26.7674 -26.7024 -26.7024 -19.2146 -19.2146 -19.0893 -19.0893 -18.9857 -18.9857 -18.9137 -18.9137 -4.8641 -4.8641 -4.0277 -4.0277 -3.3275 -3.3275 -3.2027 -3.2027 4.2003 4.2003 4.7942 4.7942 5.0951 5.0951 5.2949 5.2949 6.0337 6.0337 6.3327 6.3327 6.5475 6.5475 6.8784 6.8784 7.5548 7.5548 8.4693 8.4693 8.6804 8.6804 8.9405 8.9405 12.0226 12.0226 12.2544 12.2544 12.9492 12.9492 13.3554 13.3554 13.6175 13.6175 k = 0.2400-0.6618-0.3900 ( 4671 PWs) bands (ev): -52.4142 -52.4142 -52.3991 -52.3991 -26.7678 -26.7678 -26.7043 -26.7043 -19.2156 -19.2156 -19.0954 -19.0954 -18.9901 -18.9901 -18.9148 -18.9148 -4.8272 -4.8272 -4.0046 -4.0046 -3.3060 -3.3060 -3.1825 -3.1825 4.1710 4.1710 4.8066 4.8066 5.0946 5.0946 5.3121 5.3121 5.9994 5.9994 6.3831 6.3831 6.5086 6.5086 6.8173 6.8173 7.5233 7.5233 8.4247 8.4247 8.6330 8.6330 8.9001 8.9001 12.0303 12.0303 12.2716 12.2716 12.9871 12.9871 13.3674 13.3674 13.6354 13.6354 k = 0.2500-0.6894-0.4062 ( 4668 PWs) bands (ev): -52.4138 -52.4138 -52.3991 -52.3991 -26.7682 -26.7682 -26.7063 -26.7063 -19.2167 -19.2167 -19.1015 -19.1015 -18.9943 -18.9943 -18.9161 -18.9161 -4.7899 -4.7899 -3.9821 -3.9821 -3.2841 -3.2841 -3.1613 -3.1613 4.1419 4.1419 4.8200 4.8200 5.0946 5.0946 5.3301 5.3301 5.9594 5.9594 6.3925 6.3925 6.4812 6.4812 6.7874 6.7874 7.4991 7.4991 8.3812 8.3812 8.5862 8.5862 8.8608 8.8608 12.0389 12.0389 12.2883 12.2883 13.0172 13.0172 13.3761 13.3761 13.6343 13.6343 k = 0.2600-0.7170-0.4225 ( 4662 PWs) bands (ev): -52.4135 -52.4135 -52.3991 -52.3991 -26.7685 -26.7685 -26.7083 -26.7083 -19.2178 -19.2178 -19.1076 -19.1076 -18.9984 -18.9984 -18.9174 -18.9174 -4.7525 -4.7525 -3.9603 -3.9603 -3.2616 -3.2616 -3.1392 -3.1392 4.1129 4.1129 4.8345 4.8345 5.0950 5.0950 5.3483 5.3483 5.9156 5.9156 6.3139 6.3139 6.5224 6.5224 6.7792 6.7792 7.4810 7.4810 8.3389 8.3389 8.5404 8.5404 8.8224 8.8224 12.0485 12.0485 12.3045 12.3045 13.0372 13.0372 13.3812 13.3812 13.6178 13.6178 k = 0.2700-0.7446-0.4387 ( 4662 PWs) bands (ev): -52.4131 -52.4131 -52.3991 -52.3991 -26.7689 -26.7689 -26.7103 -26.7103 -19.2190 -19.2190 -19.1137 -19.1137 -19.0024 -19.0024 -18.9187 -18.9187 -4.7150 -4.7150 -3.9394 -3.9394 -3.2387 -3.2387 -3.1164 -3.1164 4.0838 4.0838 4.8499 4.8499 5.0956 5.0956 5.3664 5.3664 5.8701 5.8701 6.2121 6.2121 6.5777 6.5777 6.7826 6.7826 7.4677 7.4677 8.2979 8.2979 8.4955 8.4955 8.7850 8.7850 12.0592 12.0592 12.3204 12.3204 13.0430 13.0430 13.3832 13.3832 13.5940 13.5940 k = 0.2800-0.7721-0.4550 ( 4659 PWs) bands (ev): -52.4127 -52.4127 -52.3991 -52.3991 -26.7692 -26.7692 -26.7123 -26.7123 -19.2203 -19.2203 -19.1198 -19.1198 -19.0061 -19.0061 -18.9201 -18.9201 -4.6776 -4.6776 -3.9195 -3.9195 -3.2154 -3.2154 -3.0928 -3.0928 4.0544 4.0544 4.8660 4.8660 5.0962 5.0962 5.3839 5.3839 5.8247 5.8247 6.1056 6.1056 6.6345 6.6345 6.7921 6.7921 7.4582 7.4582 8.2582 8.2582 8.4518 8.4518 8.7487 8.7487 12.0711 12.0711 12.3359 12.3359 13.0294 13.0294 13.3838 13.3838 13.5721 13.5721 k = 0.2900-0.7997-0.4712 ( 4658 PWs) bands (ev): -52.4123 -52.4123 -52.3991 -52.3991 -26.7694 -26.7694 -26.7143 -26.7143 -19.2216 -19.2216 -19.1258 -19.1258 -19.0096 -19.0096 -18.9215 -18.9215 -4.6404 -4.6404 -3.9008 -3.9008 -3.1916 -3.1916 -3.0687 -3.0687 4.0247 4.0247 4.8825 4.8825 5.0964 5.0964 5.4002 5.4002 5.7806 5.7806 6.0002 6.0002 6.6894 6.6894 6.8060 6.8060 7.4517 7.4517 8.2200 8.2200 8.4095 8.4095 8.7135 8.7135 12.0842 12.0842 12.3512 12.3512 12.9928 12.9928 13.3857 13.3857 13.5580 13.5580 k = 0.3000-0.8273-0.4875 ( 4654 PWs) bands (ev): -52.4120 -52.4120 -52.3992 -52.3992 -26.7697 -26.7697 -26.7163 -26.7163 -19.2230 -19.2230 -19.1318 -19.1318 -19.0129 -19.0129 -18.9230 -18.9230 -4.6035 -4.6035 -3.8833 -3.8833 -3.1674 -3.1674 -3.0441 -3.0441 3.9943 3.9943 4.8987 4.8987 5.0962 5.0962 5.4145 5.4145 5.7378 5.7378 5.9008 5.9008 6.7375 6.7375 6.8269 6.8269 7.4478 7.4478 8.1832 8.1832 8.3686 8.3686 8.6792 8.6792 12.0986 12.0986 12.3662 12.3662 12.9341 12.9341 13.3912 13.3912 13.5528 13.5528 k = 0.3100-0.8549-0.5037 ( 4658 PWs) bands (ev): -52.4116 -52.4116 -52.3992 -52.3992 -26.7699 -26.7699 -26.7183 -26.7183 -19.2244 -19.2244 -19.1377 -19.1377 -19.0160 -19.0160 -18.9245 -18.9245 -4.5672 -4.5672 -3.8672 -3.8672 -3.1428 -3.1428 -3.0192 -3.0192 3.9633 3.9633 4.9139 4.9139 5.0955 5.0955 5.4252 5.4252 5.6921 5.6921 5.8160 5.8160 6.7705 6.7705 6.8611 6.8611 7.4460 7.4460 8.1478 8.1478 8.3295 8.3295 8.6458 8.6458 12.1142 12.1142 12.3811 12.3811 12.8586 12.8586 13.3995 13.3995 13.5553 13.5553 k = 0.3200-0.8825-0.5200 ( 4656 PWs) bands (ev): -52.4112 -52.4112 -52.3992 -52.3992 -26.7701 -26.7701 -26.7203 -26.7203 -19.2258 -19.2258 -19.1435 -19.1435 -19.0187 -19.0187 -18.9260 -18.9260 -4.5316 -4.5316 -3.8523 -3.8523 -3.1180 -3.1180 -2.9941 -2.9941 3.9316 3.9316 4.9269 4.9269 5.0949 5.0949 5.4283 5.4283 5.6365 5.6365 5.7586 5.7586 6.7873 6.7873 6.9088 6.9088 7.4463 7.4463 8.1137 8.1137 8.2922 8.2922 8.6132 8.6132 12.1309 12.1309 12.3958 12.3958 12.7723 12.7723 13.4084 13.4084 13.5635 13.5635 k = 0.3300-0.9100-0.5362 ( 4662 PWs) bands (ev): -52.4108 -52.4108 -52.3993 -52.3993 -26.7703 -26.7703 -26.7222 -26.7222 -19.2272 -19.2272 -19.1492 -19.1492 -19.0213 -19.0213 -18.9275 -18.9275 -4.4967 -4.4967 -3.8389 -3.8389 -3.0930 -3.0930 -2.9691 -2.9691 3.8991 3.8991 4.9362 4.9362 5.0953 5.0953 5.4139 5.4139 5.5818 5.5818 5.7295 5.7295 6.7939 6.7939 6.9625 6.9625 7.4487 7.4487 8.0810 8.0810 8.2571 8.2571 8.5814 8.5814 12.1482 12.1482 12.4101 12.4101 12.6807 12.6807 13.4155 13.4155 13.5755 13.5755 k = 0.3400-0.9376-0.5525 ( 4660 PWs) bands (ev): -52.4105 -52.4105 -52.3993 -52.3993 -26.7704 -26.7704 -26.7241 -26.7241 -19.2286 -19.2286 -19.1548 -19.1548 -19.0236 -19.0236 -18.9289 -18.9289 -4.4628 -4.4628 -3.8268 -3.8268 -3.0679 -3.0679 -2.9443 -2.9443 3.8659 3.8659 4.9403 4.9403 5.0978 5.0978 5.3686 5.3686 5.5530 5.5530 5.7182 5.7182 6.7941 6.7941 7.0178 7.0178 7.4532 7.4532 8.0495 8.0495 8.2241 8.2241 8.5503 8.5503 12.1656 12.1656 12.4233 12.4233 12.5887 12.5887 13.4189 13.4189 13.5847 13.5847 k = 0.3500-0.9652-0.5687 ( 4667 PWs) bands (ev): -52.4101 -52.4101 -52.3994 -52.3994 -26.7706 -26.7706 -26.7260 -26.7260 -19.2300 -19.2300 -19.1602 -19.1602 -19.0258 -19.0258 -18.9304 -18.9304 -4.4299 -4.4299 -3.8161 -3.8161 -3.0428 -3.0428 -2.9200 -2.9200 3.8322 3.8322 4.9388 4.9388 5.1022 5.1022 5.3009 5.3009 5.5495 5.5495 5.7179 5.7179 6.7891 6.7891 7.0727 7.0727 7.4601 7.4601 8.0191 8.0191 8.1937 8.1937 8.5198 8.5198 12.1811 12.1811 12.4309 12.4309 12.5050 12.5050 13.4164 13.4164 13.5621 13.5621 k = 0.3600-0.9928-0.5850 ( 4660 PWs) bands (ev): -52.4098 -52.4098 -52.3995 -52.3995 -26.7706 -26.7706 -26.7278 -26.7278 -19.2313 -19.2313 -19.1654 -19.1654 -19.0276 -19.0276 -18.9317 -18.9317 -4.3982 -4.3982 -3.8068 -3.8068 -3.0179 -3.0179 -2.8962 -2.8962 3.7981 3.7981 4.9319 4.9319 5.1045 5.1045 5.2310 5.2310 5.5580 5.5580 5.7255 5.7255 6.7794 6.7794 7.1261 7.1261 7.4693 7.4693 7.9898 7.9898 8.1659 8.1659 8.4899 8.4899 12.1898 12.1898 12.3983 12.3983 12.4710 12.4710 13.4055 13.4055 13.5346 13.5346 k = 0.3700-1.0203-0.6012 ( 4663 PWs) bands (ev): -52.4094 -52.4094 -52.3995 -52.3995 -26.7707 -26.7707 -26.7295 -26.7295 -19.2326 -19.2326 -19.1705 -19.1705 -19.0293 -19.0293 -18.9331 -18.9331 -4.3679 -4.3679 -3.7988 -3.7988 -2.9933 -2.9933 -2.8733 -2.8733 3.7639 3.7639 4.9208 4.9208 5.0882 5.0882 5.1824 5.1824 5.5719 5.5719 5.7394 5.7394 6.7651 6.7651 7.1772 7.1772 7.4808 7.4808 7.9614 7.9614 8.1408 8.1408 8.4605 8.4605 12.1782 12.1782 12.3474 12.3474 12.4795 12.4795 13.3849 13.3849 13.5149 13.5149 k = 0.3800-1.0479-0.6175 ( 4666 PWs) bands (ev): -52.4091 -52.4091 -52.3996 -52.3996 -26.7707 -26.7707 -26.7312 -26.7312 -19.2338 -19.2338 -19.1753 -19.1753 -19.0308 -19.0308 -18.9345 -18.9345 -4.3390 -4.3390 -3.7920 -3.7920 -2.9692 -2.9692 -2.8513 -2.8513 3.7300 3.7300 4.9062 4.9062 5.0379 5.0379 5.1736 5.1736 5.5884 5.5884 5.7585 5.7585 6.7466 6.7466 7.2256 7.2256 7.4944 7.4944 7.9341 7.9341 8.1186 8.1186 8.4317 8.4317 12.1319 12.1319 12.3303 12.3303 12.4934 12.4934 13.3568 13.3568 13.5018 13.5018 k = 0.3900-1.0755-0.6337 ( 4674 PWs) bands (ev): -52.4088 -52.4088 -52.3997 -52.3997 -26.7707 -26.7707 -26.7329 -26.7329 -19.2349 -19.2349 -19.1799 -19.1799 -19.0321 -19.0321 -18.9358 -18.9358 -4.3117 -4.3117 -3.7863 -3.7863 -2.9459 -2.9459 -2.8305 -2.8305 3.6966 3.6966 4.8865 4.8865 4.9792 4.9792 5.1821 5.1821 5.6061 5.6061 5.7823 5.7823 6.7243 6.7243 7.2706 7.2706 7.5100 7.5100 7.9078 7.9078 8.0994 8.0994 8.4035 8.4035 12.0641 12.0641 12.3385 12.3385 12.5089 12.5089 13.3251 13.3251 13.4916 13.4916 k = 0.4000-1.1031-0.6500 ( 4673 PWs) bands (ev): -52.4085 -52.4085 -52.3998 -52.3998 -26.7706 -26.7706 -26.7344 -26.7344 -19.2359 -19.2359 -19.1841 -19.1841 -19.0332 -19.0332 -18.9370 -18.9370 -4.2861 -4.2861 -3.7818 -3.7818 -2.9234 -2.9234 -2.8111 -2.8111 3.6644 3.6644 4.8556 4.8556 4.9323 4.9323 5.1947 5.1947 5.6236 5.6236 5.8106 5.8106 6.6985 6.6985 7.3119 7.3119 7.5270 7.5270 7.8827 7.8827 8.0834 8.0834 8.3759 8.3759 11.9914 11.9914 12.3562 12.3562 12.5253 12.5253 13.2928 13.2928 13.4810 13.4810 k = 0.4100-1.1306-0.6662 ( 4669 PWs) bands (ev): -52.4082 -52.4082 -52.3998 -52.3998 -26.7705 -26.7705 -26.7358 -26.7358 -19.2367 -19.2367 -19.1881 -19.1881 -19.0341 -19.0341 -18.9381 -18.9381 -4.2623 -4.2623 -3.7782 -3.7782 -2.9021 -2.9021 -2.7931 -2.7931 3.6335 3.6335 4.8104 4.8104 4.9046 4.9046 5.2082 5.2082 5.6403 5.6403 5.8428 5.8428 6.6697 6.6697 7.3493 7.3493 7.5448 7.5448 7.8590 7.8590 8.0705 8.0705 8.3491 8.3491 11.9206 11.9206 12.3768 12.3768 12.5428 12.5428 13.2618 13.2618 13.4676 13.4676 k = 0.4200-1.1582-0.6825 ( 4670 PWs) bands (ev): -52.4080 -52.4080 -52.3999 -52.3999 -26.7703 -26.7703 -26.7372 -26.7372 -19.2374 -19.2374 -19.1919 -19.1919 -19.0348 -19.0348 -18.9392 -18.9392 -4.2406 -4.2406 -3.7755 -3.7755 -2.8821 -2.8821 -2.7768 -2.7768 3.6046 3.6046 4.7600 4.7600 4.8883 4.8883 5.2212 5.2212 5.6556 5.6556 5.8785 5.8785 6.6382 6.6382 7.3829 7.3829 7.5624 7.5624 7.8370 7.8370 8.0610 8.0610 8.3230 8.3230 11.8545 11.8545 12.3974 12.3974 12.5616 12.5616 13.2334 13.2334 13.4498 13.4498 k = 0.4300-1.1858-0.6987 ( 4660 PWs) bands (ev): -52.4077 -52.4077 -52.4000 -52.4000 -26.7701 -26.7701 -26.7384 -26.7384 -19.2380 -19.2380 -19.1952 -19.1952 -19.0355 -19.0355 -18.9401 -18.9401 -4.2209 -4.2209 -3.7735 -3.7735 -2.8637 -2.8637 -2.7623 -2.7623 3.5780 3.5780 4.7117 4.7117 4.8770 4.8770 5.2334 5.2334 5.6692 5.6692 5.9171 5.9171 6.6046 6.6046 7.4128 7.4128 7.5784 7.5784 7.8172 7.8172 8.0549 8.0549 8.2979 8.2979 11.7943 11.7943 12.4165 12.4165 12.5816 12.5816 13.2084 13.2084 13.4269 13.4269 k = 0.4400-1.2134-0.7150 ( 4664 PWs) bands (ev): -52.4075 -52.4075 -52.4001 -52.4001 -26.7700 -26.7700 -26.7395 -26.7395 -19.2386 -19.2386 -19.1982 -19.1982 -19.0360 -19.0360 -18.9409 -18.9409 -4.2035 -4.2035 -3.7722 -3.7722 -2.8471 -2.8471 -2.7497 -2.7497 3.5541 3.5541 4.6681 4.6681 4.8685 4.8685 5.2443 5.2443 5.6810 5.6810 5.9576 5.9576 6.5694 6.5694 7.4394 7.4394 7.5915 7.5915 7.8001 7.8001 8.0522 8.0522 8.2739 8.2739 11.7410 11.7410 12.4331 12.4331 12.6026 12.6026 13.1875 13.1875 13.3995 13.3995 k = 0.4500-1.2410-0.7312 ( 4667 PWs) bands (ev): -52.4073 -52.4073 -52.4001 -52.4001 -26.7699 -26.7699 -26.7404 -26.7404 -19.2390 -19.2390 -19.2008 -19.2008 -19.0365 -19.0365 -18.9417 -18.9417 -4.1885 -4.1885 -3.7714 -3.7714 -2.8325 -2.8325 -2.7389 -2.7389 3.5333 3.5333 4.6303 4.6303 4.8619 4.8619 5.2538 5.2538 5.6909 5.6909 5.9990 5.9990 6.5333 6.5333 7.4633 7.4633 7.6003 7.6003 7.7865 7.7865 8.0527 8.0527 8.2512 8.2512 11.6950 11.6950 12.4468 12.4468 12.6240 12.6240 13.1711 13.1711 13.3694 13.3694 k = 0.4600-1.2685-0.7475 ( 4669 PWs) bands (ev): -52.4071 -52.4071 -52.4002 -52.4002 -26.7698 -26.7698 -26.7413 -26.7413 -19.2393 -19.2393 -19.2030 -19.2030 -19.0368 -19.0368 -18.9423 -18.9423 -4.1760 -4.1760 -3.7709 -3.7709 -2.8201 -2.8201 -2.7302 -2.7302 3.5158 3.5158 4.5989 4.5989 4.8569 4.8569 5.2617 5.2617 5.6990 5.6990 6.0401 6.0401 6.4971 6.4971 7.4847 7.4847 7.6040 7.6040 7.7767 7.7767 8.0560 8.0560 8.2301 8.2301 11.6569 11.6569 12.4575 12.4575 12.6445 12.6445 13.1594 13.1594 13.3387 13.3387 k = 0.4700-1.2961-0.7637 ( 4669 PWs) bands (ev): -52.4070 -52.4070 -52.4002 -52.4002 -26.7697 -26.7697 -26.7419 -26.7419 -19.2395 -19.2395 -19.2047 -19.2047 -19.0371 -19.0371 -18.9428 -18.9428 -4.1661 -4.1661 -3.7707 -3.7707 -2.8103 -2.8103 -2.7234 -2.7234 3.5019 3.5019 4.5742 4.5742 4.8532 4.8532 5.2680 5.2680 5.7053 5.7053 6.0791 6.0791 6.4623 6.4623 7.5039 7.5039 7.6026 7.6026 7.7705 7.7705 8.0615 8.0615 8.2113 8.2113 11.6270 11.6270 12.4655 12.4655 12.6628 12.6628 13.1526 13.1526 13.3097 13.3097 k = 0.4800-1.3237-0.7800 ( 4668 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7695 -26.7695 -26.7424 -26.7424 -19.2396 -19.2396 -19.2060 -19.2060 -19.0372 -19.0372 -18.9431 -18.9431 -4.1590 -4.1590 -3.7706 -3.7706 -2.8031 -2.8031 -2.7186 -2.7186 3.4918 3.4918 4.5564 4.5564 4.8506 4.8506 5.2725 5.2725 5.7097 5.7097 6.1132 6.1132 6.4314 6.4314 7.5205 7.5205 7.5973 7.5973 7.7671 7.7671 8.0678 8.0678 8.1957 8.1957 11.6054 11.6054 12.4710 12.4710 12.6773 12.6773 13.1500 13.1500 13.2850 13.2850 k = 0.4900-1.3513-0.7962 ( 4660 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7694 -26.7694 -26.7426 -26.7426 -19.2396 -19.2396 -19.2068 -19.2068 -19.0373 -19.0373 -18.9433 -18.9433 -4.1546 -4.1546 -3.7706 -3.7706 -2.7987 -2.7987 -2.7157 -2.7157 3.4858 3.4858 4.5457 4.5457 4.8491 4.8491 5.2752 5.2752 5.7124 5.7124 6.1378 6.1378 6.4088 6.4088 7.5332 7.5332 7.5908 7.5908 7.7656 7.7656 8.0732 8.0732 8.1849 8.1849 11.5924 11.5924 12.4742 12.4742 12.6867 12.6867 13.1501 13.1501 13.2678 13.2678 k = 0.5000-1.3788-0.8125 ( 4666 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7694 -26.7694 -26.7428 -26.7428 -19.2397 -19.2397 -19.2070 -19.2070 -19.0373 -19.0373 -18.9434 -18.9434 -4.1532 -4.1532 -3.7706 -3.7706 -2.7972 -2.7972 -2.7147 -2.7147 3.4837 3.4837 4.5421 4.5421 4.8487 4.8487 5.2761 5.2761 5.7133 5.7133 6.1471 6.1471 6.4002 6.4002 7.5384 7.5384 7.5876 7.5876 7.7651 7.7651 8.0753 8.0753 8.1810 8.1810 11.5881 11.5881 12.4752 12.4752 12.6899 12.6899 13.1506 13.1506 13.2615 13.2615 k = 0.5000-1.3788-0.8125 ( 4666 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7694 -26.7694 -26.7428 -26.7428 -19.2397 -19.2397 -19.2070 -19.2070 -19.0373 -19.0373 -18.9434 -18.9434 -4.1532 -4.1532 -3.7706 -3.7706 -2.7972 -2.7972 -2.7147 -2.7147 3.4837 3.4837 4.5421 4.5421 4.8487 4.8487 5.2761 5.2761 5.7133 5.7133 6.1471 6.1471 6.4002 6.4002 7.5384 7.5384 7.5876 7.5876 7.7651 7.7651 8.0753 8.0753 8.1810 8.1810 11.5881 11.5881 12.4752 12.4752 12.6899 12.6899 13.1506 13.1506 13.2615 13.2615 k = 0.5000-1.3619-0.8413 ( 4658 PWs) bands (ev): -52.4068 -52.4068 -52.4003 -52.4003 -26.7694 -26.7694 -26.7427 -26.7427 -19.2399 -19.2399 -19.2067 -19.2067 -19.0374 -19.0374 -18.9435 -18.9435 -4.1528 -4.1528 -3.7705 -3.7705 -2.7968 -2.7968 -2.7144 -2.7144 3.4852 3.4852 4.5431 4.5431 4.8494 4.8494 5.2757 5.2757 5.7121 5.7121 6.1471 6.1471 6.4015 6.4015 7.5167 7.5167 7.6036 7.6036 7.7647 7.7647 8.0711 8.0711 8.1802 8.1802 11.5818 11.5818 12.4787 12.4787 12.6891 12.6891 13.1384 13.1384 13.2718 13.2718 k = 0.5000-1.3449-0.8701 ( 4662 PWs) bands (ev): -52.4068 -52.4068 -52.4003 -52.4003 -26.7694 -26.7694 -26.7428 -26.7428 -19.2408 -19.2408 -19.2056 -19.2056 -19.0377 -19.0377 -18.9438 -18.9438 -4.1515 -4.1515 -3.7701 -3.7701 -2.7955 -2.7955 -2.7135 -2.7135 3.4896 3.4896 4.5460 4.5460 4.8517 4.8517 5.2742 5.2742 5.7086 5.7086 6.1473 6.1473 6.4054 6.4054 7.4775 7.4775 7.6243 7.6243 7.7647 7.7647 8.0594 8.0594 8.1773 8.1773 11.5635 11.5635 12.4879 12.4879 12.6876 12.6876 13.1105 13.1105 13.2952 13.2952 k = 0.5000-1.3279-0.8989 ( 4656 PWs) bands (ev): -52.4068 -52.4068 -52.4003 -52.4003 -26.7694 -26.7694 -26.7429 -26.7429 -19.2421 -19.2421 -19.2040 -19.2040 -19.0382 -19.0382 -18.9443 -18.9443 -4.1494 -4.1494 -3.7694 -3.7694 -2.7935 -2.7935 -2.7119 -2.7119 3.4970 3.4970 4.5509 4.5509 4.8555 4.8555 5.2718 5.2718 5.7029 5.7029 6.1477 6.1477 6.4117 6.4117 7.4333 7.4333 7.6334 7.6334 7.7679 7.7679 8.0424 8.0424 8.1716 8.1716 11.5346 11.5346 12.4990 12.4990 12.6875 12.6875 13.0767 13.0767 13.3239 13.3239 k = 0.5000-1.3109-0.9277 ( 4654 PWs) bands (ev): -52.4067 -52.4067 -52.4003 -52.4003 -26.7694 -26.7694 -26.7430 -26.7430 -19.2438 -19.2438 -19.2019 -19.2019 -19.0389 -19.0389 -18.9450 -18.9450 -4.1464 -4.1464 -3.7685 -3.7685 -2.7906 -2.7906 -2.7097 -2.7097 3.5072 3.5072 4.5577 4.5577 4.8607 4.8607 5.2683 5.2683 5.6951 5.6951 6.1484 6.1484 6.4201 6.4201 7.3863 7.3863 7.6258 7.6258 7.7758 7.7758 8.0230 8.0230 8.1627 8.1627 11.4971 11.4971 12.5065 12.5065 12.6921 12.6921 13.0414 13.0414 13.3563 13.3563 k = 0.5000-1.2940-0.9565 ( 4658 PWs) bands (ev): -52.4067 -52.4067 -52.4003 -52.4003 -26.7694 -26.7694 -26.7433 -26.7433 -19.2457 -19.2457 -19.1995 -19.1995 -19.0398 -19.0398 -18.9459 -18.9459 -4.1426 -4.1426 -3.7674 -3.7674 -2.7869 -2.7869 -2.7069 -2.7069 3.5204 3.5204 4.5664 4.5664 4.8672 4.8672 5.2637 5.2637 5.6854 5.6854 6.1497 6.1497 6.4304 6.4304 7.3372 7.3372 7.6022 7.6022 7.7845 7.7845 8.0049 8.0049 8.1506 8.1506 11.4530 11.4530 12.5056 12.5056 12.7043 12.7043 13.0065 13.0065 13.3920 13.3920 k = 0.5000-1.2770-0.9853 ( 4656 PWs) bands (ev): -52.4066 -52.4066 -52.4004 -52.4004 -26.7694 -26.7694 -26.7435 -26.7435 -19.2478 -19.2478 -19.1967 -19.1967 -19.0409 -19.0409 -18.9470 -18.9470 -4.1381 -4.1381 -3.7661 -3.7661 -2.7825 -2.7825 -2.7035 -2.7035 3.5365 3.5365 4.5771 4.5771 4.8747 4.8747 5.2578 5.2578 5.6741 5.6741 6.1515 6.1515 6.4423 6.4423 7.2864 7.2864 7.5656 7.5656 7.7878 7.7878 7.9920 7.9920 8.1359 8.1359 11.4039 11.4039 12.4948 12.4948 12.7237 12.7237 12.9731 12.9731 13.4309 13.4309 k = 0.5000-1.2600-1.0141 ( 4660 PWs) bands (ev): -52.4066 -52.4066 -52.4004 -52.4004 -26.7694 -26.7694 -26.7438 -26.7438 -19.2500 -19.2500 -19.1937 -19.1937 -19.0422 -19.0422 -18.9483 -18.9483 -4.1328 -4.1328 -3.7646 -3.7646 -2.7773 -2.7773 -2.6995 -2.6995 3.5554 3.5554 4.5897 4.5897 4.8832 4.8832 5.2506 5.2506 5.6617 5.6617 6.1540 6.1540 6.4555 6.4555 7.2342 7.2342 7.5187 7.5187 7.7808 7.7808 7.9865 7.9865 8.1200 8.1200 11.3513 11.3513 12.4759 12.4759 12.7476 12.7476 12.9417 12.9417 13.4719 13.4719 k = 0.5000-1.2430-1.0429 ( 4662 PWs) bands (ev): -52.4065 -52.4065 -52.4004 -52.4004 -26.7694 -26.7694 -26.7442 -26.7442 -19.2522 -19.2522 -19.1905 -19.1905 -19.0436 -19.0436 -18.9497 -18.9497 -4.1269 -4.1269 -3.7629 -3.7629 -2.7714 -2.7714 -2.6951 -2.6951 3.5771 3.5771 4.6042 4.6042 4.8922 4.8922 5.2419 5.2419 5.6485 5.6485 6.1572 6.1572 6.4697 6.4697 7.1803 7.1803 7.4637 7.4637 7.7627 7.7627 7.9865 7.9865 8.1054 8.1054 11.2964 11.2964 12.4510 12.4510 12.7727 12.7727 12.9133 12.9133 13.5132 13.5132 k = 0.5000-1.2261-1.0717 ( 4660 PWs) bands (ev): -52.4064 -52.4064 -52.4005 -52.4005 -26.7694 -26.7694 -26.7445 -26.7445 -19.2545 -19.2545 -19.1872 -19.1872 -19.0453 -19.0453 -18.9512 -18.9512 -4.1203 -4.1203 -3.7611 -3.7611 -2.7649 -2.7649 -2.6901 -2.6901 3.6015 3.6015 4.6205 4.6205 4.9014 4.9014 5.2315 5.2315 5.6351 5.6351 6.1613 6.1613 6.4846 6.4846 7.1247 7.1247 7.4030 7.4030 7.7356 7.7356 7.9855 7.9855 8.0965 8.0965 11.2400 11.2400 12.4221 12.4221 12.7955 12.7955 12.8896 12.8896 13.5525 13.5525 k = 0.5000-1.2091-1.1005 ( 4660 PWs) bands (ev): -52.4062 -52.4062 -52.4005 -52.4005 -26.7694 -26.7694 -26.7449 -26.7449 -19.2568 -19.2568 -19.1838 -19.1838 -19.0471 -19.0471 -18.9528 -18.9528 -4.1131 -4.1131 -3.7592 -3.7592 -2.7578 -2.7578 -2.6848 -2.6848 3.6286 3.6286 4.6387 4.6387 4.9104 4.9104 5.2191 5.2191 5.6223 5.6223 6.1661 6.1661 6.5001 6.5001 7.0666 7.0666 7.3390 7.3390 7.7018 7.7018 7.9767 7.9767 8.0978 8.0978 11.1831 11.1831 12.3905 12.3905 12.8096 12.8096 12.8765 12.8765 13.5875 13.5875 k = 0.5000-1.1921-1.1293 ( 4666 PWs) bands (ev): -52.4061 -52.4061 -52.4006 -52.4006 -26.7694 -26.7694 -26.7454 -26.7454 -19.2590 -19.2590 -19.1802 -19.1802 -19.0492 -19.0492 -18.9546 -18.9546 -4.1054 -4.1054 -3.7573 -3.7573 -2.7501 -2.7501 -2.6790 -2.6790 3.6584 3.6584 4.6586 4.6586 4.9185 4.9185 5.2047 5.2047 5.6108 5.6108 6.1718 6.1718 6.5159 6.5159 7.0051 7.0051 7.2743 7.2743 7.6633 7.6633 7.9588 7.9588 8.1089 8.1089 11.1262 11.1262 12.3569 12.3569 12.8067 12.8067 12.8823 12.8823 13.6166 13.6166 k = 0.5000-1.1751-1.1582 ( 4664 PWs) bands (ev): -52.4060 -52.4060 -52.4006 -52.4006 -26.7694 -26.7694 -26.7459 -26.7459 -19.2613 -19.2613 -19.1766 -19.1766 -19.0514 -19.0514 -18.9564 -18.9564 -4.0973 -4.0973 -3.7554 -3.7554 -2.7419 -2.7419 -2.6729 -2.6729 3.6906 3.6906 4.6803 4.6803 4.9252 4.9252 5.1882 5.1882 5.6016 5.6016 6.1782 6.1782 6.5318 6.5318 6.9394 6.9394 7.2113 7.2113 7.6213 7.6213 7.9347 7.9347 8.1261 8.1261 11.0700 11.0700 12.3221 12.3221 12.7929 12.7929 12.9008 12.9008 13.6396 13.6396 k = 0.5000-1.1582-1.1870 ( 4666 PWs) bands (ev): -52.4059 -52.4059 -52.4007 -52.4007 -26.7694 -26.7694 -26.7463 -26.7463 -19.2635 -19.2635 -19.1729 -19.1729 -19.0539 -19.0539 -18.9582 -18.9582 -4.0887 -4.0887 -3.7535 -3.7535 -2.7333 -2.7333 -2.6666 -2.6666 3.7253 3.7253 4.7036 4.7036 4.9296 4.9296 5.1695 5.1695 5.5955 5.5955 6.1852 6.1852 6.5476 6.5476 6.8690 6.8690 7.1517 7.1517 7.5767 7.5767 7.9071 7.9071 8.1463 8.1463 11.0151 11.0151 12.2864 12.2864 12.7775 12.7775 12.9233 12.9233 13.6567 13.6567 k = 0.5000-1.1412-1.2158 ( 4670 PWs) bands (ev): -52.4057 -52.4057 -52.4008 -52.4008 -26.7693 -26.7693 -26.7469 -26.7469 -19.2656 -19.2656 -19.1691 -19.1691 -19.0565 -19.0565 -18.9601 -18.9601 -4.0799 -4.0799 -3.7517 -3.7517 -2.7243 -2.7243 -2.6600 -2.6600 3.7624 3.7624 4.7283 4.7283 4.9308 4.9308 5.1489 5.1489 5.5935 5.5935 6.1927 6.1927 6.5629 6.5629 6.7942 6.7942 7.0964 7.0964 7.5307 7.5307 7.8775 7.8775 8.1677 8.1677 10.9620 10.9620 12.2504 12.2504 12.7633 12.7633 12.9469 12.9469 13.6687 13.6687 k = 0.5000-1.1242-1.2446 ( 4666 PWs) bands (ev): -52.4055 -52.4055 -52.4009 -52.4009 -26.7693 -26.7693 -26.7474 -26.7474 -19.2677 -19.2677 -19.1652 -19.1652 -19.0593 -19.0593 -18.9619 -18.9619 -4.0708 -4.0708 -3.7500 -3.7500 -2.7150 -2.7150 -2.6533 -2.6533 3.8016 3.8016 4.7542 4.7542 4.9279 4.9279 5.1273 5.1273 5.5964 5.5964 6.2004 6.2004 6.5768 6.5768 6.7170 6.7170 7.0450 7.0450 7.4844 7.4844 7.8466 7.8466 8.1893 8.1893 10.9110 10.9110 12.2143 12.2143 12.7513 12.7513 12.9709 12.9709 13.6767 13.6767 k = 0.5000-1.1072-1.2734 ( 4660 PWs) bands (ev): -52.4054 -52.4054 -52.4010 -52.4010 -26.7692 -26.7692 -26.7479 -26.7479 -19.2696 -19.2696 -19.1613 -19.1613 -19.0622 -19.0622 -18.9637 -18.9637 -4.0616 -4.0616 -3.7484 -3.7484 -2.7055 -2.7055 -2.6466 -2.6466 3.8429 3.8429 4.7805 4.7805 4.9202 4.9202 5.1055 5.1055 5.6048 5.6048 6.2075 6.2075 6.5834 6.5834 6.6450 6.6450 6.9965 6.9965 7.4389 7.4389 7.8150 7.8150 8.2107 8.2107 10.8627 10.8627 12.1787 12.1787 12.7419 12.7419 12.9947 12.9947 13.6815 13.6815 k = 0.5000-1.0903-1.3022 ( 4668 PWs) bands (ev): -52.4052 -52.4052 -52.4011 -52.4011 -26.7691 -26.7691 -26.7485 -26.7485 -19.2715 -19.2715 -19.1574 -19.1574 -19.0654 -19.0654 -18.9655 -18.9655 -4.0523 -4.0523 -3.7469 -3.7469 -2.6960 -2.6960 -2.6399 -2.6399 3.8861 3.8861 4.8057 4.8057 4.9083 4.9083 5.0848 5.0848 5.6187 5.6187 6.2126 6.2126 6.5422 6.5422 6.6212 6.6212 6.9494 6.9494 7.3956 7.3956 7.7829 7.7829 8.2314 8.2314 10.8174 10.8174 12.1438 12.1438 12.7351 12.7351 13.0182 13.0182 13.6839 13.6839 k = 0.5000-1.0733-1.3310 ( 4662 PWs) bands (ev): -52.4050 -52.4050 -52.4012 -52.4012 -26.7690 -26.7690 -26.7490 -26.7490 -19.2733 -19.2733 -19.1534 -19.1534 -19.0686 -19.0686 -18.9671 -18.9671 -4.0432 -4.0432 -3.7457 -3.7457 -2.6864 -2.6864 -2.6334 -2.6334 3.9310 3.9310 4.8237 4.8237 4.8971 4.8971 5.0665 5.0665 5.6383 5.6383 6.2125 6.2125 6.4732 6.4732 6.6299 6.6299 6.9022 6.9022 7.3559 7.3559 7.7506 7.7506 8.2512 8.2512 10.7755 10.7755 12.1101 12.1101 12.7308 12.7308 13.0412 13.0412 13.6845 13.6845 k = 0.5000-1.0563-1.3598 ( 4652 PWs) bands (ev): -52.4048 -52.4048 -52.4013 -52.4013 -26.7688 -26.7688 -26.7496 -26.7496 -19.2749 -19.2749 -19.1493 -19.1493 -19.0720 -19.0720 -18.9687 -18.9687 -4.0341 -4.0341 -3.7446 -3.7446 -2.6768 -2.6768 -2.6270 -2.6270 3.9774 3.9774 4.8202 4.8202 4.9008 4.9008 5.0515 5.0515 5.6633 5.6633 6.2006 6.2006 6.4141 6.4141 6.6409 6.6409 6.8538 6.8538 7.3210 7.3210 7.7185 7.7185 8.2698 8.2698 10.7372 10.7372 12.0779 12.0779 12.7289 12.7289 13.0633 13.0633 13.6841 13.6841 k = 0.5000-1.0393-1.3886 ( 4652 PWs) bands (ev): -52.4046 -52.4046 -52.4014 -52.4014 -26.7687 -26.7687 -26.7501 -26.7501 -19.2765 -19.2765 -19.1452 -19.1452 -19.0755 -19.0755 -18.9702 -18.9702 -4.0253 -4.0253 -3.7438 -3.7438 -2.6675 -2.6675 -2.6210 -2.6210 4.0249 4.0249 4.7946 4.7946 4.9196 4.9196 5.0411 5.0411 5.6931 5.6931 6.1677 6.1677 6.3777 6.3777 6.6507 6.6507 6.8035 6.8035 7.2918 7.2918 7.6867 7.6867 8.2872 8.2872 10.7027 10.7027 12.0475 12.0475 12.7294 12.7294 13.0843 13.0843 13.6833 13.6833 k = 0.5000-1.0224-1.4174 ( 4654 PWs) bands (ev): -52.4044 -52.4044 -52.4015 -52.4015 -26.7686 -26.7686 -26.7507 -26.7507 -19.2780 -19.2780 -19.1412 -19.1412 -19.0792 -19.0792 -18.9716 -18.9716 -4.0170 -4.0170 -3.7432 -3.7432 -2.6585 -2.6585 -2.6155 -2.6155 4.0734 4.0734 4.7589 4.7589 4.9390 4.9390 5.0382 5.0382 5.7269 5.7269 6.1143 6.1143 6.3650 6.3650 6.6575 6.6575 6.7522 6.7522 7.2687 7.2687 7.6557 7.6557 8.3030 8.3030 10.6723 10.6723 12.0192 12.0192 12.7321 12.7321 13.1038 13.1038 13.6825 13.6825 k = 0.5000-1.0054-1.4462 ( 4658 PWs) bands (ev): -52.4042 -52.4042 -52.4017 -52.4017 -26.7685 -26.7685 -26.7513 -26.7513 -19.2793 -19.2793 -19.1372 -19.1372 -19.0829 -19.0829 -18.9729 -18.9729 -4.0091 -4.0091 -3.7428 -3.7428 -2.6499 -2.6499 -2.6104 -2.6104 4.1222 4.1222 4.7189 4.7189 4.9495 4.9495 5.0478 5.0478 5.7635 5.7635 6.0511 6.0511 6.3667 6.3667 6.6549 6.6549 6.7063 6.7063 7.2518 7.2518 7.6259 7.6259 8.3173 8.3173 10.6461 10.6461 11.9933 11.9933 12.7368 12.7368 13.1215 13.1215 13.6824 13.6824 k = 0.5000-0.9884-1.4750 ( 4662 PWs) bands (ev): -52.4040 -52.4040 -52.4018 -52.4018 -26.7684 -26.7684 -26.7518 -26.7518 -19.2804 -19.2804 -19.1332 -19.1332 -19.0867 -19.0867 -18.9740 -18.9740 -4.0018 -4.0018 -3.7425 -3.7425 -2.6418 -2.6418 -2.6060 -2.6060 4.1710 4.1710 4.6772 4.6772 4.9492 4.9492 5.0698 5.0698 5.8000 5.8000 5.9886 5.9886 6.3742 6.3742 6.6225 6.6225 6.6872 6.6872 7.2407 7.2407 7.5978 7.5978 8.3298 8.3298 10.6241 10.6241 11.9701 11.9701 12.7433 12.7433 13.1371 13.1371 13.6834 13.6834 k = 0.5000-0.9714-1.5038 ( 4666 PWs) bands (ev): -52.4038 -52.4038 -52.4020 -52.4020 -26.7682 -26.7682 -26.7522 -26.7522 -19.2814 -19.2814 -19.1292 -19.1292 -19.0906 -19.0906 -18.9750 -18.9750 -3.9954 -3.9954 -3.7424 -3.7424 -2.6344 -2.6344 -2.6024 -2.6024 4.2188 4.2188 4.6355 4.6355 4.9429 4.9429 5.0988 5.0988 5.8261 5.8261 5.9407 5.9407 6.3815 6.3815 6.5744 6.5744 6.6839 6.6839 7.2349 7.2349 7.5720 7.5720 8.3405 8.3405 10.6066 10.6066 11.9497 11.9497 12.7516 12.7516 13.1504 13.1504 13.6857 13.6857 k = 0.5000-0.9545-1.5326 ( 4654 PWs) bands (ev): -52.4036 -52.4036 -52.4021 -52.4021 -26.7681 -26.7681 -26.7526 -26.7526 -19.2822 -19.2822 -19.1252 -19.1252 -19.0944 -19.0944 -18.9757 -18.9757 -3.9898 -3.9898 -3.7425 -3.7425 -2.6278 -2.6278 -2.5995 -2.5995 4.2646 4.2646 4.5955 4.5955 4.9345 4.9345 5.1300 5.1300 5.8139 5.8139 5.9368 5.9368 6.3805 6.3805 6.5334 6.5334 6.6810 6.6810 7.2337 7.2337 7.5489 7.5489 8.3492 8.3492 10.5934 10.5934 11.9324 11.9324 12.7614 12.7614 13.1613 13.1613 13.6895 13.6895 k = 0.5000-0.9375-1.5615 ( 4650 PWs) bands (ev): -52.4034 -52.4034 -52.4023 -52.4023 -26.7679 -26.7679 -26.7529 -26.7529 -19.2828 -19.2828 -19.1214 -19.1214 -19.0982 -19.0982 -18.9763 -18.9763 -3.9853 -3.9853 -3.7426 -3.7426 -2.6222 -2.6222 -2.5975 -2.5975 4.3060 4.3060 4.5595 4.5595 4.9261 4.9261 5.1602 5.1602 5.7734 5.7734 5.9673 5.9673 6.3616 6.3616 6.5134 6.5134 6.6757 6.6757 7.2364 7.2364 7.5293 7.5293 8.3557 8.3557 10.5847 10.5847 11.9184 11.9184 12.7727 12.7727 13.1699 13.1699 13.6948 13.6948 k = 0.5000-0.9205-1.5903 ( 4648 PWs) bands (ev): -52.4032 -52.4032 -52.4025 -52.4025 -26.7678 -26.7678 -26.7531 -26.7531 -19.2832 -19.2832 -19.1177 -19.1177 -19.1018 -19.1018 -18.9767 -18.9767 -3.9820 -3.9820 -3.7428 -3.7428 -2.6178 -2.6178 -2.5964 -2.5964 4.3391 4.3391 4.5315 4.5315 4.9192 4.9192 5.1868 5.1868 5.7331 5.7331 6.0018 6.0018 6.3278 6.3278 6.5149 6.5149 6.6678 6.6678 7.2423 7.2423 7.5135 7.5135 8.3600 8.3600 10.5803 10.5803 11.9078 11.9078 12.7853 12.7853 13.1762 13.1762 13.7012 13.7012 k = 0.5000-0.9036-1.6191 ( 4648 PWs) bands (ev): -52.4030 -52.4030 -52.4027 -52.4027 -26.7678 -26.7678 -26.7532 -26.7532 -19.2835 -19.2835 -19.1146 -19.1146 -19.1049 -19.1049 -18.9770 -18.9770 -3.9800 -3.9800 -3.7429 -3.7429 -2.6150 -2.6150 -2.5960 -2.5960 4.3569 4.3569 4.5177 4.5177 4.9150 4.9150 5.2073 5.2073 5.7023 5.7023 6.0253 6.0253 6.2971 6.2971 6.5277 6.5277 6.6579 6.6579 7.2508 7.2508 7.5020 7.5020 8.3620 8.3620 10.5803 10.5803 11.9008 11.9008 12.7990 12.7990 13.1807 13.1807 13.7083 13.7083 k = 0.5000-0.8866-1.6479 ( 4642 PWs) bands (ev): -52.4029 -52.4029 -52.4028 -52.4028 -26.7677 -26.7677 -26.7532 -26.7532 -19.2835 -19.2835 -19.1135 -19.1135 -19.1060 -19.1060 -18.9770 -18.9770 -3.9795 -3.9795 -3.7429 -3.7429 -2.6141 -2.6141 -2.5961 -2.5961 4.3549 4.3549 4.5220 4.5220 4.9149 4.9149 5.2194 5.2194 5.6850 5.6850 6.0243 6.0243 6.2873 6.2873 6.5435 6.5435 6.6484 6.6484 7.2616 7.2616 7.4950 7.4950 8.3615 8.3615 10.5846 10.5846 11.8975 11.8975 12.8138 12.8138 13.1837 13.1837 13.7152 13.7152 k = 0.5000-0.8696-1.6767 ( 4648 PWs) bands (ev): -52.4031 -52.4031 -52.4026 -52.4026 -26.7678 -26.7678 -26.7532 -26.7532 -19.2834 -19.2834 -19.1157 -19.1157 -19.1039 -19.1039 -18.9769 -18.9769 -3.9807 -3.9807 -3.7428 -3.7428 -2.6155 -2.6155 -2.5966 -2.5966 4.3388 4.3388 4.5376 4.5376 4.9200 4.9200 5.2219 5.2219 5.6825 5.6825 5.9951 5.9951 6.3031 6.3031 6.5564 6.5564 6.6440 6.6440 7.2740 7.2740 7.4924 7.4924 8.3585 8.3585 10.5932 10.5932 11.8979 11.8979 12.8296 12.8296 13.1856 13.1856 13.7209 13.7209 k = 0.8264-0.8122-1.5731 ( 4648 PWs) bands (ev): -52.4031 -52.4031 -52.4026 -52.4026 -26.7678 -26.7678 -26.7532 -26.7532 -19.2834 -19.2834 -19.1157 -19.1157 -19.1039 -19.1039 -18.9769 -18.9769 -3.9807 -3.9807 -3.7428 -3.7428 -2.6155 -2.6155 -2.5966 -2.5966 4.3388 4.3388 4.5376 4.5376 4.9200 4.9200 5.2219 5.2219 5.6825 5.6825 5.9951 5.9951 6.3031 6.3031 6.5564 6.5564 6.6440 6.6440 7.2740 7.2740 7.4924 7.4924 8.3585 8.3585 10.5932 10.5932 11.8979 11.8979 12.8296 12.8296 13.1856 13.1856 13.7209 13.7209 k = 0.8206-0.7962-1.5441 ( 4648 PWs) bands (ev): -52.4033 -52.4033 -52.4024 -52.4024 -26.7679 -26.7679 -26.7530 -26.7530 -19.2830 -19.2830 -19.1189 -19.1189 -19.1006 -19.1006 -18.9766 -18.9766 -3.9836 -3.9836 -3.7426 -3.7426 -2.6194 -2.6194 -2.5975 -2.5975 4.3172 4.3172 4.5550 4.5550 4.9316 4.9316 5.2161 5.2161 5.6931 5.6931 5.9484 5.9484 6.3327 6.3327 6.5625 6.5625 6.6506 6.6506 7.2880 7.2880 7.4943 7.4943 8.3528 8.3528 10.6063 10.6063 11.9023 11.9023 12.8463 12.8463 13.1868 13.1868 13.7244 13.7244 k = 0.8147-0.7801-1.5151 ( 4654 PWs) bands (ev): -52.4036 -52.4036 -52.4022 -52.4022 -26.7681 -26.7681 -26.7526 -26.7526 -19.2825 -19.2825 -19.1223 -19.1223 -19.0971 -19.0971 -18.9761 -18.9761 -3.9882 -3.9882 -3.7422 -3.7422 -2.6256 -2.6256 -2.5991 -2.5991 4.2950 4.2950 4.5690 4.5690 4.9496 4.9496 5.2048 5.2048 5.7116 5.7116 5.8973 5.8973 6.3603 6.3603 6.5675 6.5675 6.6684 6.6684 7.3033 7.3033 7.5003 7.5003 8.3445 8.3445 10.6238 10.6238 11.9106 11.9106 12.8638 12.8638 13.1876 13.1876 13.7239 13.7239 k = 0.8089-0.7640-1.4861 ( 4652 PWs) bands (ev): -52.4038 -52.4038 -52.4020 -52.4020 -26.7682 -26.7682 -26.7522 -26.7522 -19.2817 -19.2817 -19.1257 -19.1257 -19.0936 -19.0936 -18.9754 -18.9754 -3.9948 -3.9948 -3.7417 -3.7417 -2.6339 -2.6339 -2.6017 -2.6017 4.2745 4.2745 4.5777 4.5777 4.9731 4.9731 5.1919 5.1919 5.7240 5.7240 5.8578 5.8578 6.3726 6.3726 6.5842 6.5842 6.6928 6.6928 7.3197 7.3197 7.5101 7.5101 8.3334 8.3334 10.6458 10.6458 11.9228 11.9228 12.8818 12.8818 13.1881 13.1881 13.7174 13.7174 k = 0.8031-0.7480-1.4571 ( 4652 PWs) bands (ev): -52.4041 -52.4041 -52.4018 -52.4018 -26.7684 -26.7684 -26.7516 -26.7516 -19.2806 -19.2806 -19.1289 -19.1289 -19.0901 -19.0901 -18.9745 -18.9745 -4.0032 -4.0032 -3.7411 -3.7411 -2.6443 -2.6443 -2.6055 -2.6055 4.2569 4.2569 4.5813 4.5813 4.9996 4.9996 5.1812 5.1812 5.7049 5.7049 5.8551 5.8551 6.3649 6.3649 6.6180 6.6180 6.7207 6.7207 7.3372 7.3372 7.5231 7.5231 8.3196 8.3196 10.6723 10.6723 11.9389 11.9389 12.9005 12.9005 13.1883 13.1883 13.7025 13.7025 k = 0.7973-0.7319-1.4281 ( 4654 PWs) bands (ev): -52.4043 -52.4043 -52.4016 -52.4016 -26.7686 -26.7686 -26.7509 -26.7509 -19.2794 -19.2794 -19.1320 -19.1320 -19.0867 -19.0867 -18.9735 -18.9735 -4.0135 -4.0135 -3.7405 -3.7405 -2.6567 -2.6567 -2.6106 -2.6106 4.2425 4.2425 4.5808 4.5808 5.0253 5.0253 5.1770 5.1770 5.6575 5.6575 5.8855 5.8855 6.3429 6.3429 6.6634 6.6634 6.7509 6.7509 7.3559 7.3559 7.5391 7.5391 8.3031 8.3031 10.7034 10.7034 11.9589 11.9589 12.9195 12.9195 13.1880 13.1880 13.6783 13.6783 k = 0.7914-0.7158-1.3991 ( 4658 PWs) bands (ev): -52.4046 -52.4046 -52.4014 -52.4014 -26.7689 -26.7689 -26.7500 -26.7500 -19.2779 -19.2779 -19.1349 -19.1349 -19.0833 -19.0833 -18.9722 -18.9722 -4.0257 -4.0257 -3.7399 -3.7399 -2.6710 -2.6710 -2.6170 -2.6170 4.2317 4.2317 4.5775 4.5775 5.0453 5.0453 5.1838 5.1838 5.6015 5.6015 5.9282 5.9282 6.3134 6.3134 6.7133 6.7133 6.7835 6.7835 7.3755 7.3755 7.5577 7.5577 8.2842 8.2842 10.7393 10.7393 11.9825 11.9825 12.9390 12.9390 13.1867 13.1867 13.6463 13.6463 k = 0.7856-0.6997-1.3700 ( 4658 PWs) bands (ev): -52.4049 -52.4049 -52.4012 -52.4012 -26.7692 -26.7692 -26.7491 -26.7491 -19.2762 -19.2762 -19.1376 -19.1376 -19.0799 -19.0799 -18.9708 -18.9708 -4.0397 -4.0397 -3.7395 -3.7395 -2.6873 -2.6873 -2.6248 -2.6248 4.2244 4.2244 4.5722 4.5722 5.0572 5.0572 5.2036 5.2036 5.5446 5.5446 5.9740 5.9740 6.2816 6.2816 6.7615 6.7615 6.8203 6.8203 7.3962 7.3962 7.5785 7.5785 8.2629 8.2629 10.7800 10.7800 12.0095 12.0095 12.9587 12.9587 13.1838 13.1838 13.6098 13.6098 k = 0.7798-0.6837-1.3410 ( 4660 PWs) bands (ev): -52.4052 -52.4052 -52.4011 -52.4011 -26.7695 -26.7695 -26.7481 -26.7481 -19.2743 -19.2743 -19.1401 -19.1401 -19.0767 -19.0767 -18.9693 -18.9693 -4.0555 -4.0555 -3.7393 -3.7393 -2.7054 -2.7054 -2.6341 -2.6341 4.2205 4.2205 4.5659 4.5659 5.0632 5.0632 5.2334 5.2334 5.4896 5.4896 6.0173 6.0173 6.2523 6.2523 6.8036 6.8036 6.8632 6.8632 7.4176 7.4176 7.6013 7.6013 8.2397 8.2397 10.8257 10.8257 12.0395 12.0395 12.9786 12.9786 13.1786 13.1786 13.5722 13.5722 k = 0.7739-0.6676-1.3120 ( 4658 PWs) bands (ev): -52.4055 -52.4055 -52.4009 -52.4009 -26.7697 -26.7697 -26.7469 -26.7469 -19.2722 -19.2722 -19.1423 -19.1423 -19.0734 -19.0734 -18.9676 -18.9676 -4.0730 -4.0730 -3.7395 -3.7395 -2.7254 -2.7254 -2.6447 -2.6447 4.2198 4.2198 4.5591 4.5591 5.0673 5.0673 5.2686 5.2686 5.4382 5.4382 6.0497 6.0497 6.2335 6.2335 6.8389 6.8389 6.9114 6.9114 7.4396 7.4396 7.6260 7.6260 8.2151 8.2151 10.8764 10.8764 12.0721 12.0721 12.9983 12.9983 13.1703 13.1703 13.5356 13.5356 k = 0.7681-0.6515-1.2830 ( 4660 PWs) bands (ev): -52.4058 -52.4058 -52.4007 -52.4007 -26.7700 -26.7700 -26.7457 -26.7457 -19.2699 -19.2699 -19.1442 -19.1442 -19.0703 -19.0703 -18.9658 -18.9658 -4.0923 -4.0923 -3.7400 -3.7400 -2.7472 -2.7472 -2.6567 -2.6567 4.2218 4.2218 4.5523 4.5523 5.0720 5.0720 5.3050 5.3050 5.3926 5.3926 6.0590 6.0590 6.2373 6.2373 6.8701 6.8701 6.9615 6.9615 7.4618 7.4618 7.6524 7.6524 8.1897 8.1897 10.9324 10.9324 12.1067 12.1067 13.0174 13.0174 13.1593 13.1593 13.5012 13.5012 k = 0.7623-0.6354-1.2540 ( 4666 PWs) bands (ev): -52.4062 -52.4062 -52.4006 -52.4006 -26.7702 -26.7702 -26.7444 -26.7444 -19.2674 -19.2674 -19.1458 -19.1458 -19.0672 -19.0672 -18.9639 -18.9639 -4.1132 -4.1132 -3.7412 -3.7412 -2.7706 -2.7706 -2.6699 -2.6699 4.2261 4.2261 4.5458 4.5458 5.0784 5.0784 5.3305 5.3305 5.3645 5.3645 6.0433 6.0433 6.2650 6.2650 6.8992 6.8992 7.0110 7.0110 7.4835 7.4835 7.6802 7.6802 8.1646 8.1646 10.9935 10.9935 12.1426 12.1426 13.0337 13.0337 13.1471 13.1471 13.4698 13.4698 k = 0.7565-0.6194-1.2250 ( 4666 PWs) bands (ev): -52.4065 -52.4065 -52.4004 -52.4004 -26.7704 -26.7704 -26.7430 -26.7430 -19.2648 -19.2648 -19.1472 -19.1472 -19.0641 -19.0641 -18.9618 -18.9618 -4.1356 -4.1356 -3.7429 -3.7429 -2.7956 -2.7956 -2.6845 -2.6845 4.2319 4.2319 4.5399 4.5399 5.0867 5.0867 5.3099 5.3099 5.3893 5.3893 6.0140 6.0140 6.3048 6.3048 6.9276 6.9276 7.0586 7.0586 7.5036 7.5036 7.7093 7.7093 8.1412 8.1412 11.0597 11.0597 12.1790 12.1790 13.0426 13.0426 13.1392 13.1392 13.4414 13.4414 k = 0.7506-0.6033-1.1959 ( 4666 PWs) bands (ev): -52.4068 -52.4068 -52.4003 -52.4003 -26.7706 -26.7706 -26.7415 -26.7415 -19.2620 -19.2620 -19.1482 -19.1482 -19.0610 -19.0610 -18.9596 -18.9596 -4.1597 -4.1597 -3.7453 -3.7453 -2.8220 -2.8220 -2.7002 -2.7002 4.2385 4.2385 4.5348 4.5348 5.0964 5.0964 5.2865 5.2865 5.4247 5.4247 5.9795 5.9795 6.3475 6.3475 6.9562 6.9562 7.1037 7.1037 7.5209 7.5209 7.7396 7.7396 8.1210 8.1210 11.1308 11.1308 12.2151 12.2151 13.0372 13.0372 13.1431 13.1431 13.4165 13.4165 k = 0.7448-0.5872-1.1669 ( 4662 PWs) bands (ev): -52.4072 -52.4072 -52.4001 -52.4001 -26.7708 -26.7708 -26.7399 -26.7399 -19.2591 -19.2591 -19.1488 -19.1488 -19.0580 -19.0580 -18.9574 -18.9574 -4.1852 -4.1852 -3.7485 -3.7485 -2.8497 -2.8497 -2.7170 -2.7170 4.2448 4.2448 4.5305 4.5305 5.1071 5.1071 5.2723 5.2723 5.4596 5.4596 5.9437 5.9437 6.3885 6.3885 6.9861 6.9861 7.1458 7.1458 7.5335 7.5335 7.7709 7.7709 8.1064 8.1064 11.2065 11.2065 12.2499 12.2499 13.0182 13.0182 13.1584 13.1584 13.3960 13.3960 k = 0.7390-0.5711-1.1379 ( 4662 PWs) bands (ev): -52.4075 -52.4075 -52.4000 -52.4000 -26.7709 -26.7709 -26.7383 -26.7383 -19.2561 -19.2561 -19.1491 -19.1491 -19.0549 -19.0549 -18.9551 -18.9551 -4.2121 -4.2121 -3.7526 -3.7526 -2.8785 -2.8785 -2.7348 -2.7348 4.2499 4.2499 4.5274 4.5274 5.1183 5.1183 5.2691 5.2691 5.4931 5.4931 5.9086 5.9086 6.4251 6.4251 7.0183 7.0183 7.1848 7.1848 7.5398 7.5398 7.8034 7.8034 8.0992 8.0992 11.2864 11.2864 12.2826 12.2826 12.9922 12.9922 13.1782 13.1782 13.3822 13.3822 k = 0.7331-0.5551-1.1089 ( 4662 PWs) bands (ev): -52.4079 -52.4079 -52.3999 -52.3999 -26.7710 -26.7710 -26.7365 -26.7365 -19.2530 -19.2530 -19.1490 -19.1490 -19.0518 -19.0518 -18.9527 -18.9527 -4.2404 -4.2404 -3.7576 -3.7576 -2.9083 -2.9083 -2.7535 -2.7535 4.2529 4.2529 4.5254 4.5254 5.1313 5.1313 5.2761 5.2761 5.5246 5.5246 5.8755 5.8755 6.4557 6.4557 7.0536 7.0536 7.2201 7.2201 7.5383 7.5383 7.8372 7.8372 8.1010 8.1010 11.3696 11.3696 12.3124 12.3124 12.9637 12.9637 13.1954 13.1954 13.3790 13.3790 k = 0.7273-0.5390-1.0799 ( 4670 PWs) bands (ev): -52.4083 -52.4083 -52.3998 -52.3998 -26.7711 -26.7711 -26.7348 -26.7348 -19.2500 -19.2500 -19.1486 -19.1486 -19.0487 -19.0487 -18.9503 -18.9503 -4.2700 -4.2700 -3.7637 -3.7637 -2.9389 -2.9389 -2.7730 -2.7730 4.2531 4.2531 4.5249 4.5249 5.1478 5.1478 5.2912 5.2912 5.5537 5.5537 5.8459 5.8459 6.4790 6.4790 7.0928 7.0928 7.2511 7.2511 7.5295 7.5295 7.8726 7.8726 8.1125 8.1125 11.4552 11.4552 12.3387 12.3387 12.9356 12.9356 13.2038 13.2038 13.3915 13.3915 k = 0.7215-0.5229-1.0509 ( 4670 PWs) bands (ev): -52.4087 -52.4087 -52.3997 -52.3997 -26.7711 -26.7711 -26.7330 -26.7330 -19.2469 -19.2469 -19.1477 -19.1477 -19.0456 -19.0456 -18.9479 -18.9479 -4.3008 -4.3008 -3.7709 -3.7709 -2.9700 -2.9700 -2.7933 -2.7933 4.2500 4.2500 4.5259 4.5259 5.1698 5.1698 5.3116 5.3116 5.5796 5.5796 5.8221 5.8221 6.4946 6.4946 7.1355 7.1355 7.2763 7.2763 7.5158 7.5158 7.9098 7.9098 8.1330 8.1330 11.5420 11.5420 12.3611 12.3611 12.9099 12.9099 13.2018 13.2018 13.4206 13.4206 k = 0.7157-0.5069-1.0218 ( 4668 PWs) bands (ev): -52.4090 -52.4090 -52.3996 -52.3996 -26.7711 -26.7711 -26.7311 -26.7311 -19.2439 -19.2439 -19.1464 -19.1464 -19.0423 -19.0423 -18.9454 -18.9454 -4.3327 -4.3327 -3.7793 -3.7793 -3.0016 -3.0016 -2.8141 -2.8141 4.2437 4.2437 4.5285 4.5285 5.1984 5.1984 5.3344 5.3344 5.6003 5.6003 5.8072 5.8072 6.5026 6.5026 7.1802 7.1802 7.2936 7.2936 7.5021 7.5021 7.9490 7.9490 8.1612 8.1612 11.6281 11.6281 12.3794 12.3794 12.8887 12.8887 13.1922 13.1922 13.4627 13.4627 k = 0.7098-0.4908-0.9928 ( 4664 PWs) bands (ev): -52.4094 -52.4094 -52.3995 -52.3995 -26.7710 -26.7710 -26.7292 -26.7292 -19.2409 -19.2409 -19.1446 -19.1446 -19.0390 -19.0390 -18.9430 -18.9430 -4.3658 -4.3658 -3.7890 -3.7890 -3.0333 -3.0333 -2.8355 -2.8355 4.2343 4.2343 4.5330 4.5330 5.2331 5.2331 5.3577 5.3577 5.6131 5.6131 5.8057 5.8057 6.5036 6.5036 7.2212 7.2212 7.3034 7.3034 7.4954 7.4954 7.9901 7.9901 8.1956 8.1956 11.7115 11.7115 12.3936 12.3936 12.8739 12.8739 13.1788 13.1788 13.5132 13.5132 k = 0.7040-0.4747-0.9638 ( 4660 PWs) bands (ev): -52.4098 -52.4098 -52.3995 -52.3995 -26.7710 -26.7710 -26.7272 -26.7272 -19.2380 -19.2380 -19.1424 -19.1424 -19.0356 -19.0356 -18.9406 -18.9406 -4.3998 -4.3998 -3.8000 -3.8000 -3.0650 -3.0650 -2.8572 -2.8572 4.2224 4.2224 4.5393 4.5393 5.2721 5.2721 5.3806 5.3806 5.6169 5.6169 5.8205 5.8205 6.4984 6.4984 7.2380 7.2380 7.3216 7.3216 7.5012 7.5012 8.0328 8.0328 8.2349 8.2349 11.7897 11.7897 12.4038 12.4038 12.8677 12.8677 13.1637 13.1637 13.5685 13.5685 k = 0.6982-0.4586-0.9348 ( 4656 PWs) bands (ev): -52.4102 -52.4102 -52.3994 -52.3994 -26.7708 -26.7708 -26.7252 -26.7252 -19.2352 -19.2352 -19.1398 -19.1398 -19.0322 -19.0322 -18.9382 -18.9382 -4.4346 -4.4346 -3.8124 -3.8124 -3.0965 -3.0965 -2.8793 -2.8793 4.2087 4.2087 4.5473 4.5473 5.3105 5.3105 5.4050 5.4050 5.6145 5.6145 5.8505 5.8505 6.4884 6.4884 7.2183 7.2183 7.3604 7.3604 7.5204 7.5204 8.0769 8.0769 8.2780 8.2780 11.8598 11.8598 12.4102 12.4102 12.8720 12.8720 13.1484 13.1484 13.6259 13.6259 k = 0.6923-0.4426-0.9058 ( 4666 PWs) bands (ev): -52.4106 -52.4106 -52.3993 -52.3993 -26.7707 -26.7707 -26.7233 -26.7233 -19.2326 -19.2326 -19.1368 -19.1368 -19.0287 -19.0287 -18.9358 -18.9358 -4.4703 -4.4703 -3.8262 -3.8262 -3.1276 -3.1276 -2.9016 -2.9016 4.1939 4.1939 4.5572 4.5572 5.3392 5.3392 5.4360 5.4360 5.6118 5.6118 5.8918 5.8918 6.4750 6.4750 7.1803 7.1803 7.4031 7.4031 7.5522 7.5522 8.1224 8.1224 8.3239 8.3239 11.9193 11.9193 12.4132 12.4132 12.8881 12.8881 13.1335 13.1335 13.6831 13.6831 k = 0.6865-0.4265-0.8768 ( 4664 PWs) bands (ev): -52.4110 -52.4110 -52.3993 -52.3993 -26.7705 -26.7705 -26.7212 -26.7212 -19.2301 -19.2301 -19.1334 -19.1334 -19.0250 -19.0250 -18.9335 -18.9335 -4.5067 -4.5067 -3.8415 -3.8415 -3.1581 -3.1581 -2.9240 -2.9240 4.1788 4.1788 4.5689 4.5689 5.3527 5.3527 5.4728 5.4728 5.6170 5.6170 5.9404 5.9404 6.4599 6.4599 7.1342 7.1342 7.4405 7.4405 7.5963 7.5963 8.1688 8.1688 8.3722 8.3722 11.9664 11.9664 12.4129 12.4129 12.9158 12.9158 13.1198 13.1198 13.7377 13.7377 k = 0.6807-0.4104-0.8477 ( 4662 PWs) bands (ev): -52.4114 -52.4114 -52.3992 -52.3992 -26.7703 -26.7703 -26.7192 -26.7192 -19.2278 -19.2278 -19.1296 -19.1296 -19.0212 -19.0212 -18.9312 -18.9312 -4.5436 -4.5436 -3.8583 -3.8583 -3.1878 -3.1878 -2.9464 -2.9464 4.1639 4.1639 4.5824 4.5824 5.3540 5.3540 5.5010 5.5010 5.6423 5.6423 5.9924 5.9924 6.4458 6.4458 7.0844 7.0844 7.4706 7.4706 7.6509 7.6509 8.2161 8.2161 8.4222 8.4222 12.0005 12.0005 12.4099 12.4099 12.9526 12.9526 13.1082 13.1082 13.7876 13.7876 k = 0.6749-0.3943-0.8187 ( 4660 PWs) bands (ev): -52.4118 -52.4118 -52.3992 -52.3992 -26.7700 -26.7700 -26.7171 -26.7171 -19.2256 -19.2256 -19.1254 -19.1254 -19.0173 -19.0173 -18.9290 -18.9290 -4.5810 -4.5810 -3.8766 -3.8766 -3.2166 -3.2166 -2.9688 -2.9688 4.1498 4.1498 4.5977 4.5977 5.3477 5.3477 5.5110 5.5110 5.6928 5.6928 6.0430 6.0430 6.4365 6.4365 7.0334 7.0334 7.4948 7.4948 7.7131 7.7131 8.2640 8.2640 8.4736 8.4736 12.0226 12.0226 12.4043 12.4043 12.9929 12.9929 13.1004 13.1004 13.8311 13.8311 k = 0.6690-0.3783-0.7897 ( 4660 PWs) bands (ev): -52.4122 -52.4122 -52.3992 -52.3992 -26.7697 -26.7697 -26.7150 -26.7150 -19.2236 -19.2236 -19.1209 -19.1209 -19.0132 -19.0132 -18.9268 -18.9268 -4.6187 -4.6187 -3.8963 -3.8963 -3.2444 -3.2444 -2.9911 -2.9911 4.1369 4.1369 4.6147 4.6147 5.3367 5.3367 5.5089 5.5089 5.7588 5.7588 6.0856 6.0856 6.4379 6.4379 6.9832 6.9832 7.5148 7.5148 7.7800 7.7800 8.3123 8.3123 8.5261 8.5261 12.0345 12.0345 12.3963 12.3963 13.0265 13.0265 13.1012 13.1012 13.8667 13.8667 k = 0.6632-0.3622-0.7607 ( 4662 PWs) bands (ev): -52.4126 -52.4126 -52.3991 -52.3991 -26.7694 -26.7694 -26.7130 -26.7130 -19.2218 -19.2218 -19.1161 -19.1161 -19.0091 -19.0091 -18.9248 -18.9248 -4.6567 -4.6567 -3.9173 -3.9173 -3.2710 -3.2710 -3.0133 -3.0133 4.1256 4.1256 4.6334 4.6334 5.3228 5.3228 5.5010 5.5010 5.8309 5.8309 6.1132 6.1132 6.4568 6.4568 6.9360 6.9360 7.5322 7.5322 7.8499 7.8499 8.3607 8.3607 8.5795 8.5795 12.0386 12.0386 12.3861 12.3861 13.0418 13.0418 13.1162 13.1162 13.8934 13.8934 k = 0.6574-0.3461-0.7317 ( 4670 PWs) bands (ev): -52.4130 -52.4130 -52.3991 -52.3991 -26.7691 -26.7691 -26.7110 -26.7110 -19.2202 -19.2202 -19.1111 -19.1111 -19.0049 -19.0049 -18.9229 -18.9229 -4.6947 -4.6947 -3.9396 -3.9396 -3.2964 -3.2964 -3.0351 -3.0351 4.1162 4.1162 4.6537 4.6537 5.3072 5.3072 5.4901 5.4901 5.9023 5.9023 6.1235 6.1235 6.4955 6.4955 6.8946 6.8946 7.5478 7.5478 7.9216 7.9216 8.4091 8.4091 8.6336 8.6336 12.0369 12.0369 12.3736 12.3736 13.0435 13.0435 13.1352 13.1352 13.9100 13.9100 k = 0.6515-0.3300-0.7027 ( 4662 PWs) bands (ev): -52.4133 -52.4133 -52.3991 -52.3991 -26.7686 -26.7686 -26.7089 -26.7089 -19.2186 -19.2186 -19.1058 -19.1058 -19.0004 -19.0004 -18.9210 -18.9210 -4.7327 -4.7327 -3.9631 -3.9631 -3.3207 -3.3207 -3.0567 -3.0567 4.1089 4.1089 4.6757 4.6757 5.2909 5.2909 5.4771 5.4771 5.9643 5.9643 6.1236 6.1236 6.5494 6.5494 6.8634 6.8634 7.5625 7.5625 7.9945 7.9945 8.4572 8.4572 8.6882 8.6882 12.0312 12.0312 12.3587 12.3587 13.0413 13.0413 13.1446 13.1446 13.9151 13.9151 k = 0.6457-0.3140-0.6736 ( 4660 PWs) bands (ev): -52.4137 -52.4137 -52.3991 -52.3991 -26.7682 -26.7682 -26.7068 -26.7068 -19.2172 -19.2172 -19.1003 -19.1003 -18.9959 -18.9959 -18.9192 -18.9192 -4.7706 -4.7706 -3.9876 -3.9876 -3.3437 -3.3437 -3.0778 -3.0778 4.1039 4.1039 4.6991 4.6991 5.2743 5.2743 5.4627 5.4627 6.0005 6.0005 6.1303 6.1303 6.6094 6.6094 6.8490 6.8490 7.5771 7.5771 8.0679 8.0679 8.5049 8.5049 8.7433 8.7433 12.0231 12.0231 12.3415 12.3415 13.0387 13.0387 13.1393 13.1393 13.9080 13.9080 k = 0.6399-0.2979-0.6446 ( 4658 PWs) bands (ev): -52.4141 -52.4141 -52.3991 -52.3991 -26.7678 -26.7678 -26.7048 -26.7048 -19.2160 -19.2160 -19.0947 -19.0947 -18.9913 -18.9913 -18.9175 -18.9175 -4.8082 -4.8082 -4.0130 -4.0130 -3.3654 -3.3654 -3.0986 -3.0986 4.1013 4.1013 4.7238 4.7238 5.2578 5.2578 5.4473 5.4473 5.9990 5.9990 6.1539 6.1539 6.6669 6.6669 6.8602 6.8602 7.5927 7.5927 8.1415 8.1415 8.5521 8.5521 8.7987 8.7987 12.0136 12.0136 12.3219 12.3219 13.0363 13.0363 13.1195 13.1195 13.8893 13.8893 k = 0.6341-0.2818-0.6156 ( 4656 PWs) bands (ev): -52.4145 -52.4145 -52.3991 -52.3991 -26.7674 -26.7674 -26.7028 -26.7028 -19.2148 -19.2148 -19.0890 -19.0890 -18.9867 -18.9867 -18.9159 -18.9159 -4.8454 -4.8454 -4.0390 -4.0390 -3.3860 -3.3860 -3.1189 -3.1189 4.1013 4.1013 4.7497 4.7497 5.2419 5.2419 5.4312 5.4312 5.9742 5.9742 6.1768 6.1768 6.7197 6.7197 6.9006 6.9006 7.6106 7.6106 8.2149 8.2149 8.5987 8.5987 8.8545 8.8545 12.0033 12.0033 12.3002 12.3002 13.0324 13.0324 13.0886 13.0886 13.8607 13.8607 k = 0.6282-0.2658-0.5866 ( 4658 PWs) bands (ev): -52.4148 -52.4148 -52.3991 -52.3991 -26.7669 -26.7669 -26.7009 -26.7009 -19.2138 -19.2138 -19.0833 -19.0833 -18.9820 -18.9820 -18.9145 -18.9145 -4.8820 -4.8820 -4.0655 -4.0655 -3.4054 -3.4054 -3.1387 -3.1387 4.1040 4.1040 4.7765 4.7765 5.2266 5.2266 5.4149 5.4149 5.9396 5.9396 6.1841 6.1841 6.7755 6.7755 6.9616 6.9616 7.6325 7.6325 8.2876 8.2876 8.6447 8.6447 8.9105 8.9105 11.9929 11.9929 12.2765 12.2765 13.0151 13.0151 13.0604 13.0604 13.8237 13.8237 k = 0.6224-0.2497-0.5576 ( 4662 PWs) bands (ev): -52.4152 -52.4152 -52.3991 -52.3991 -26.7665 -26.7665 -26.6990 -26.6990 -19.2129 -19.2129 -19.0775 -19.0775 -18.9772 -18.9772 -18.9131 -18.9131 -4.9180 -4.9180 -4.0922 -4.0922 -3.4237 -3.4237 -3.1579 -3.1579 4.1093 4.1093 4.8037 4.8037 5.2123 5.2123 5.3986 5.3986 5.9002 5.9002 6.1737 6.1737 6.8405 6.8405 7.0312 7.0312 7.6607 7.6607 8.3593 8.3593 8.6903 8.6903 8.9666 8.9666 11.9827 11.9827 12.2510 12.2510 12.9692 12.9692 13.0523 13.0523 13.7802 13.7802 k = 0.6166-0.2336-0.5286 ( 4662 PWs) bands (ev): -52.4155 -52.4155 -52.3991 -52.3991 -26.7660 -26.7660 -26.6972 -26.6972 -19.2121 -19.2121 -19.0718 -19.0718 -18.9725 -18.9725 -18.9119 -18.9119 -4.9533 -4.9533 -4.1191 -4.1191 -3.4410 -3.4410 -3.1765 -3.1765 4.1173 4.1173 4.8311 4.8311 5.1992 5.1992 5.3829 5.3829 5.8580 5.8580 6.1493 6.1493 6.9128 6.9128 7.1024 7.1024 7.6976 7.6976 8.4294 8.4294 8.7357 8.7357 9.0229 9.0229 11.9729 11.9729 12.2240 12.2240 12.9086 12.9086 13.0520 13.0520 13.7317 13.7317 k = 0.6107-0.2175-0.4995 ( 4664 PWs) bands (ev): -52.4159 -52.4159 -52.3991 -52.3991 -26.7656 -26.7656 -26.6954 -26.6954 -19.2113 -19.2113 -19.0661 -19.0661 -18.9677 -18.9677 -18.9108 -18.9108 -4.9876 -4.9876 -4.1458 -4.1458 -3.4572 -3.4572 -3.1945 -3.1945 4.1280 4.1280 4.8580 4.8580 5.1874 5.1874 5.3681 5.3681 5.8141 5.8141 6.1157 6.1157 6.9860 6.9860 7.1730 7.1730 7.7455 7.7455 8.4974 8.4974 8.7813 8.7813 9.0792 9.0792 11.9635 11.9635 12.1959 12.1959 12.8409 12.8409 13.0532 13.0532 13.6797 13.6797 k = 0.6049-0.2015-0.4705 ( 4662 PWs) bands (ev): -52.4162 -52.4162 -52.3991 -52.3991 -26.7652 -26.7652 -26.6936 -26.6936 -19.2107 -19.2107 -19.0604 -19.0604 -18.9629 -18.9629 -18.9098 -18.9098 -5.0209 -5.0209 -4.1723 -4.1723 -3.4725 -3.4725 -3.2118 -3.2118 4.1414 4.1414 4.8835 4.8835 5.1774 5.1774 5.3549 5.3549 5.7689 5.7689 6.0765 6.0765 7.0512 7.0512 7.2457 7.2457 7.8055 7.8055 8.5627 8.5627 8.8275 8.8275 9.1356 9.1356 11.9546 11.9546 12.1671 12.1671 12.7689 12.7689 13.0539 13.0539 13.6259 13.6259 k = 0.5991-0.1854-0.4415 ( 4662 PWs) bands (ev): -52.4165 -52.4165 -52.3992 -52.3992 -26.7647 -26.7647 -26.6919 -26.6919 -19.2101 -19.2101 -19.0548 -19.0548 -18.9582 -18.9582 -18.9089 -18.9089 -5.0531 -5.0531 -4.1982 -4.1982 -3.4868 -3.4868 -3.2284 -3.2284 4.1575 4.1575 4.9068 4.9068 5.1694 5.1694 5.3440 5.3440 5.7228 5.7228 6.0343 6.0343 7.1009 7.1009 7.3250 7.3250 7.8771 7.8771 8.6246 8.6246 8.8750 8.8750 9.1919 9.1919 11.9461 11.9461 12.1379 12.1379 12.6945 12.6945 13.0534 13.0534 13.5718 13.5718 k = 0.5933-0.1693-0.4125 ( 4658 PWs) bands (ev): -52.4168 -52.4168 -52.3992 -52.3992 -26.7643 -26.7643 -26.6902 -26.6902 -19.2096 -19.2096 -19.0493 -19.0493 -18.9535 -18.9535 -18.9081 -18.9081 -5.0841 -5.0841 -4.2236 -4.2236 -3.5002 -3.5002 -3.2442 -3.2442 4.1762 4.1762 4.9268 4.9268 5.1635 5.1635 5.3361 5.3361 5.6760 5.6760 5.9910 5.9910 7.1329 7.1329 7.4118 7.4118 7.9583 7.9583 8.6824 8.6824 8.9244 8.9244 9.2481 9.2481 11.9379 11.9379 12.1088 12.1088 12.6189 12.6189 13.0505 13.0505 13.5187 13.5187 k = 0.5874-0.1532-0.3835 ( 4666 PWs) bands (ev): -52.4171 -52.4171 -52.3992 -52.3992 -26.7639 -26.7639 -26.6886 -26.6886 -19.2092 -19.2092 -19.0440 -19.0440 -18.9490 -18.9490 -18.9075 -18.9075 -5.1137 -5.1137 -4.2481 -4.2481 -3.5128 -3.5128 -3.2592 -3.2592 4.1975 4.1975 4.9424 4.9424 5.1597 5.1597 5.3323 5.3323 5.6286 5.6286 5.9477 5.9477 7.1499 7.1499 7.5038 7.5038 8.0465 8.0465 8.7358 8.7358 8.9760 8.9760 9.3042 9.3042 11.9298 11.9298 12.0803 12.0803 12.5435 12.5435 13.0446 13.0446 13.4679 13.4679 k = 0.5816-0.1372-0.3545 ( 4664 PWs) bands (ev): -52.4173 -52.4173 -52.3992 -52.3992 -26.7635 -26.7635 -26.6872 -26.6872 -19.2087 -19.2087 -19.0389 -19.0389 -18.9447 -18.9447 -18.9069 -18.9069 -5.1419 -5.1419 -4.2717 -4.2717 -3.5245 -3.5245 -3.2735 -3.2735 4.2212 4.2212 4.9530 4.9530 5.1574 5.1574 5.3337 5.3337 5.5808 5.5808 5.9054 5.9054 7.1559 7.1559 7.5977 7.5977 8.1389 8.1389 8.7848 8.7848 9.0298 9.0298 9.3601 9.3601 11.9213 11.9213 12.0527 12.0527 12.4694 12.4694 13.0348 13.0348 13.4208 13.4208 k = 0.5758-0.1211-0.3254 ( 4664 PWs) bands (ev): -52.4176 -52.4176 -52.3993 -52.3993 -26.7630 -26.7630 -26.6858 -26.6858 -19.2084 -19.2084 -19.0339 -19.0339 -18.9405 -18.9405 -18.9065 -18.9065 -5.1686 -5.1686 -4.2942 -4.2942 -3.5355 -3.5355 -3.2869 -3.2869 4.2473 4.2473 4.9587 4.9587 5.1556 5.1556 5.3408 5.3408 5.5328 5.5328 5.8648 5.8648 7.1538 7.1538 7.6908 7.6908 8.2330 8.2330 8.8295 8.8295 9.0856 9.0856 9.4156 9.4156 11.9120 11.9120 12.0267 12.0267 12.3975 12.3975 13.0204 13.0204 13.3782 13.3782 k = 0.5699-0.1050-0.2964 ( 4670 PWs) bands (ev): -52.4178 -52.4178 -52.3993 -52.3993 -26.7627 -26.7627 -26.6845 -26.6845 -19.2081 -19.2081 -19.0292 -19.0292 -18.9365 -18.9365 -18.9062 -18.9062 -5.1937 -5.1937 -4.3155 -4.3155 -3.5456 -3.5456 -3.2994 -3.2994 4.2757 4.2757 4.9602 4.9602 5.1531 5.1531 5.3533 5.3533 5.4851 5.4851 5.8264 5.8264 7.1461 7.1461 7.7811 7.7811 8.3268 8.3268 8.8706 8.8706 9.1428 9.1428 9.4706 9.4706 11.9014 11.9014 12.0030 12.0030 12.3288 12.3288 13.0013 13.0013 13.3407 13.3407 k = 0.5641-0.0889-0.2674 ( 4678 PWs) bands (ev): -52.4181 -52.4181 -52.3993 -52.3993 -26.7624 -26.7624 -26.6832 -26.6832 -19.2079 -19.2079 -19.0247 -19.0247 -18.9326 -18.9326 -18.9059 -18.9059 -5.2171 -5.2171 -4.3355 -4.3355 -3.5549 -3.5549 -3.3111 -3.3111 4.3062 4.3062 4.9585 4.9585 5.1494 5.1494 5.3684 5.3684 5.4399 5.4399 5.7905 5.7905 7.1342 7.1342 7.8671 7.8671 8.4184 8.4184 8.9087 8.9087 9.2006 9.2006 9.5249 9.5249 11.8887 11.8887 11.9824 11.9824 12.2641 12.2641 12.9775 12.9775 13.3083 13.3083 k = 0.5583-0.0729-0.2384 ( 4682 PWs) bands (ev): -52.4183 -52.4183 -52.3993 -52.3993 -26.7621 -26.7621 -26.6821 -26.6821 -19.2077 -19.2077 -19.0205 -19.0205 -18.9291 -18.9291 -18.9058 -18.9058 -5.2387 -5.2387 -4.3541 -4.3541 -3.5634 -3.5634 -3.3218 -3.3218 4.3388 4.3388 4.9544 4.9544 5.1444 5.1444 5.3678 5.3678 5.4145 5.4145 5.7575 5.7575 7.1195 7.1195 7.9475 7.9475 8.5062 8.5062 8.9443 8.9443 9.2585 9.2585 9.5783 9.5783 11.8733 11.8733 11.9652 11.9652 12.2040 12.2040 12.9498 12.9498 13.2801 13.2801 k = 0.5525-0.0568-0.2094 ( 4692 PWs) bands (ev): -52.4184 -52.4184 -52.3994 -52.3994 -26.7619 -26.7619 -26.6811 -26.6811 -19.2075 -19.2075 -19.0166 -19.0166 -18.9259 -18.9259 -18.9057 -18.9057 -5.2585 -5.2585 -4.3712 -4.3712 -3.5711 -3.5711 -3.3315 -3.3315 4.3731 4.3731 4.9489 4.9489 5.1380 5.1380 5.3303 5.3303 5.4293 5.4293 5.7277 5.7277 7.1028 7.1028 8.0214 8.0214 8.5888 8.5888 8.9775 8.9775 9.3157 9.3157 9.6302 9.6302 11.8553 11.8553 11.9516 11.9516 12.1492 12.1492 12.9195 12.9195 13.2548 13.2548 k = 0.5466-0.0407-0.1804 ( 4698 PWs) bands (ev): -52.4186 -52.4186 -52.3994 -52.3994 -26.7616 -26.7616 -26.6803 -26.6803 -19.2074 -19.2074 -19.0130 -19.0130 -18.9229 -18.9229 -18.9057 -18.9057 -5.2763 -5.2763 -4.3867 -4.3867 -3.5780 -3.5780 -3.3403 -3.3403 4.4090 4.4090 4.9424 4.9424 5.1299 5.1299 5.2863 5.2863 5.4531 5.4531 5.7013 5.7013 7.0852 7.0852 8.0880 8.0880 8.6651 8.6651 9.0085 9.0085 9.3714 9.3714 9.6802 9.6802 11.8353 11.8353 11.9410 11.9410 12.1003 12.1003 12.8878 12.8878 13.2299 13.2299 k = 0.5408-0.0247-0.1513 ( 4700 PWs) bands (ev): -52.4188 -52.4188 -52.3994 -52.3994 -26.7614 -26.7614 -26.6794 -26.6794 -19.2073 -19.2073 -19.0098 -19.0098 -18.9202 -18.9202 -18.9057 -18.9057 -5.2922 -5.2922 -4.4005 -4.4005 -3.5841 -3.5841 -3.3482 -3.3482 4.4462 4.4462 4.9355 4.9355 5.1191 5.1191 5.2445 5.2445 5.4777 5.4777 5.6785 5.6785 7.0673 7.0673 8.1468 8.1468 8.7340 8.7340 9.0372 9.0372 9.4249 9.4249 9.7276 9.7276 11.8143 11.8143 11.9326 11.9326 12.0576 12.0576 12.8559 12.8559 13.2024 13.2024 k = 0.5350-0.0086-0.1223 ( 4702 PWs) bands (ev): -52.4189 -52.4189 -52.3994 -52.3994 -26.7611 -26.7611 -26.6787 -26.6787 -19.2072 -19.2072 -19.0069 -19.0069 -18.9179 -18.9179 -18.9057 -18.9057 -5.3061 -5.3061 -4.4126 -4.4126 -3.5894 -3.5894 -3.3550 -3.3550 4.4842 4.4842 4.9281 4.9281 5.1034 5.1034 5.2086 5.2086 5.5008 5.5008 5.6597 5.6597 7.0499 7.0499 8.1974 8.1974 8.7950 8.7950 9.0630 9.0630 9.4752 9.4752 9.7716 9.7716 11.7931 11.7931 11.9260 11.9260 12.0213 12.0213 12.8252 12.8252 13.1721 13.1721 k = 0.5291 0.0075-0.0933 ( 4698 PWs) bands (ev): -52.4190 -52.4190 -52.3994 -52.3994 -26.7609 -26.7609 -26.6781 -26.6781 -19.2070 -19.2070 -19.0043 -19.0043 -18.9160 -18.9160 -18.9057 -18.9057 -5.3179 -5.3179 -4.4230 -4.4230 -3.5939 -3.5939 -3.3608 -3.3608 4.5227 4.5227 4.9204 4.9204 5.0808 5.0808 5.1823 5.1823 5.5209 5.5209 5.6451 5.6451 7.0337 7.0337 8.2398 8.2398 8.8474 8.8474 9.0857 9.0857 9.5210 9.5210 9.8112 9.8112 11.7728 11.7728 11.9205 11.9205 11.9913 11.9913 12.7968 12.7968 13.1421 13.1421 k = 0.5233 0.0236-0.0643 ( 4704 PWs) bands (ev): -52.4191 -52.4191 -52.3995 -52.3995 -26.7608 -26.7608 -26.6776 -26.6776 -19.2070 -19.2070 -19.0023 -19.0023 -18.9144 -18.9144 -18.9057 -18.9057 -5.3277 -5.3277 -4.4315 -4.4315 -3.5976 -3.5976 -3.3655 -3.3655 4.5606 4.5606 4.9119 4.9119 5.0525 5.0525 5.1658 5.1658 5.5364 5.5364 5.6354 5.6354 7.0193 7.0193 8.2741 8.2741 8.8908 8.8908 9.1048 9.1048 9.5612 9.5612 9.8455 9.8455 11.7545 11.7545 11.9161 11.9161 11.9676 11.9676 12.7716 12.7716 13.1155 13.1155 k = 0.5175 0.0396-0.0353 ( 4706 PWs) bands (ev): -52.4192 -52.4192 -52.3995 -52.3995 -26.7607 -26.7607 -26.6772 -26.6772 -19.2070 -19.2070 -19.0007 -19.0007 -18.9132 -18.9132 -18.9057 -18.9057 -5.3353 -5.3353 -4.4382 -4.4382 -3.6005 -3.6005 -3.3692 -3.3692 4.5966 4.5966 4.9020 4.9020 5.0239 5.0239 5.1561 5.1561 5.5466 5.5466 5.6306 5.6306 7.0075 7.0075 8.3004 8.3004 8.9250 8.9250 9.1199 9.1199 9.5942 9.5942 9.8734 9.8734 11.7390 11.7390 11.9126 11.9126 11.9498 11.9498 12.7508 12.7508 13.0940 13.0940 k = 0.5117 0.0557-0.0063 ( 4710 PWs) bands (ev): -52.4192 -52.4192 -52.3995 -52.3995 -26.7606 -26.7606 -26.6770 -26.6770 -19.2069 -19.2069 -18.9995 -18.9995 -18.9124 -18.9124 -18.9057 -18.9057 -5.3407 -5.3407 -4.4430 -4.4430 -3.6026 -3.6026 -3.3719 -3.3719 4.6281 4.6281 4.8905 4.8905 5.0005 5.0005 5.1505 5.1505 5.5518 5.5518 5.6297 5.6297 6.9986 6.9986 8.3189 8.3189 8.9497 8.9497 9.1307 9.1307 9.6189 9.6189 9.8941 9.8941 11.7272 11.7272 11.9097 11.9097 11.9377 11.9377 12.7351 12.7351 13.0782 13.0782 k = 0.5058 0.0718 0.0228 ( 4712 PWs) bands (ev): -52.4193 -52.4193 -52.3995 -52.3995 -26.7605 -26.7605 -26.6768 -26.6768 -19.2069 -19.2069 -18.9987 -18.9987 -18.9119 -18.9119 -18.9056 -18.9056 -5.3440 -5.3440 -4.4458 -4.4458 -3.6038 -3.6038 -3.3735 -3.3735 4.6511 4.6511 4.8797 4.8797 4.9859 4.9859 5.1476 5.1476 5.5538 5.5538 5.6305 5.6305 6.9930 6.9930 8.3300 8.3300 8.9646 8.9646 9.1373 9.1373 9.6342 9.6342 9.9068 9.9068 11.7198 11.7198 11.9077 11.9077 11.9308 11.9308 12.7254 12.7254 13.0687 13.0687 k = 0.5000 0.0879 0.0518 ( 4724 PWs) bands (ev): -52.4193 -52.4193 -52.3995 -52.3995 -26.7605 -26.7605 -26.6768 -26.6768 -19.2070 -19.2070 -18.9986 -18.9986 -18.9118 -18.9118 -18.9057 -18.9057 -5.3451 -5.3451 -4.4468 -4.4468 -3.6042 -3.6042 -3.3740 -3.3740 4.6597 4.6597 4.8750 4.8750 4.9811 4.9811 5.1467 5.1467 5.5543 5.5543 5.6310 5.6310 6.9912 6.9912 8.3337 8.3337 8.9696 8.9696 9.1394 9.1394 9.6394 9.6394 9.9111 9.9111 11.7173 11.7173 11.9070 11.9070 11.9286 11.9286 12.7221 12.7221 13.0655 13.0655 k = 0.5000 0.0879 0.0518 ( 4724 PWs) bands (ev): -52.4193 -52.4193 -52.3995 -52.3995 -26.7605 -26.7605 -26.6768 -26.6768 -19.2070 -19.2070 -18.9986 -18.9986 -18.9118 -18.9118 -18.9057 -18.9057 -5.3451 -5.3451 -4.4468 -4.4468 -3.6042 -3.6042 -3.3740 -3.3740 4.6597 4.6597 4.8750 4.8750 4.9811 4.9811 5.1467 5.1467 5.5543 5.5543 5.6310 5.6310 6.9912 6.9912 8.3337 8.3337 8.9696 8.9696 9.1394 9.1394 9.6394 9.6394 9.9111 9.9111 11.7173 11.7173 11.9070 11.9070 11.9286 11.9286 12.7221 12.7221 13.0655 13.0655 k = 0.4688 0.0824 0.0485 ( 4718 PWs) bands (ev): -52.4193 -52.4193 -52.3995 -52.3995 -26.7605 -26.7605 -26.6768 -26.6768 -19.2069 -19.2069 -18.9985 -18.9985 -18.9118 -18.9118 -18.9057 -18.9057 -5.3453 -5.3453 -4.4463 -4.4463 -3.6042 -3.6042 -3.3744 -3.3744 4.6597 4.6597 4.8762 4.8762 4.9811 4.9811 5.1484 5.1484 5.5543 5.5543 5.6310 5.6310 6.9822 6.9822 8.3392 8.3392 8.9704 8.9704 9.1406 9.1406 9.6400 9.6400 9.9104 9.9104 11.7166 11.7166 11.9070 11.9070 11.9278 11.9278 12.7230 12.7230 13.0658 13.0658 k = 0.4375 0.0769 0.0453 ( 4700 PWs) bands (ev): -52.4193 -52.4193 -52.3995 -52.3995 -26.7604 -26.7604 -26.6767 -26.6767 -19.2069 -19.2069 -18.9985 -18.9985 -18.9116 -18.9116 -18.9056 -18.9056 -5.3457 -5.3457 -4.4450 -4.4450 -3.6041 -3.6041 -3.3756 -3.3756 4.6596 4.6596 4.8796 4.8796 4.9811 4.9811 5.1537 5.1537 5.5543 5.5543 5.6311 5.6311 6.9561 6.9561 8.3551 8.3551 8.9726 8.9726 9.1443 9.1443 9.6417 9.6417 9.9084 9.9084 11.7146 11.7146 11.9071 11.9071 11.9254 11.9254 12.7257 12.7257 13.0670 13.0670 k = 0.4062 0.0714 0.0421 ( 4715 PWs) bands (ev): -52.4193 -52.4193 -52.3995 -52.3995 -26.7605 -26.7605 -26.6768 -26.6768 -19.2069 -19.2069 -18.9985 -18.9985 -18.9117 -18.9117 -18.9056 -18.9056 -5.3465 -5.3465 -4.4427 -4.4427 -3.6040 -3.6040 -3.3776 -3.3776 4.6595 4.6595 4.8850 4.8850 4.9811 4.9811 5.1627 5.1627 5.5543 5.5543 5.6312 5.6312 6.9145 6.9145 8.3794 8.3794 8.9760 8.9760 9.1507 9.1507 9.6446 9.6446 9.9050 9.9050 11.7113 11.7113 11.9073 11.9073 11.9215 11.9215 12.7301 12.7301 13.0689 13.0689 k = 0.3750 0.0659 0.0388 ( 4703 PWs) bands (ev): -52.4193 -52.4193 -52.3995 -52.3995 -26.7604 -26.7604 -26.6767 -26.6767 -19.2069 -19.2069 -18.9985 -18.9985 -18.9117 -18.9117 -18.9056 -18.9056 -5.3475 -5.3475 -4.4397 -4.4397 -3.6039 -3.6039 -3.3803 -3.3803 4.6594 4.6594 4.8919 4.8919 4.9811 4.9811 5.1758 5.1758 5.5544 5.5544 5.6313 5.6313 6.8601 6.8601 8.4097 8.4097 8.9799 8.9799 9.1606 9.1606 9.6487 9.6487 9.9004 9.9004 11.7065 11.7065 11.9076 11.9076 11.9165 11.9165 12.7359 12.7359 13.0716 13.0716 k = 0.3438 0.0604 0.0356 ( 4691 PWs) bands (ev): -52.4193 -52.4193 -52.3995 -52.3995 -26.7604 -26.7604 -26.6766 -26.6766 -19.2069 -19.2069 -18.9985 -18.9985 -18.9116 -18.9116 -18.9055 -18.9055 -5.3488 -5.3488 -4.4360 -4.4360 -3.6037 -3.6037 -3.3836 -3.3836 4.6593 4.6593 4.8997 4.8997 4.9810 4.9810 5.1933 5.1933 5.5544 5.5544 5.6315 5.6315 6.7954 6.7954 8.4431 8.4431 8.9837 8.9837 9.1743 9.1743 9.6538 9.6538 9.8945 9.8945 11.7003 11.7003 11.9079 11.9079 11.9108 11.9108 12.7429 12.7429 13.0751 13.0751 k = 0.3125 0.0549 0.0324 ( 4691 PWs) bands (ev): -52.4193 -52.4193 -52.3995 -52.3995 -26.7604 -26.7604 -26.6766 -26.6766 -19.2068 -19.2068 -18.9985 -18.9985 -18.9117 -18.9117 -18.9055 -18.9055 -5.3502 -5.3502 -4.4317 -4.4317 -3.6034 -3.6034 -3.3874 -3.3874 4.6591 4.6591 4.9078 4.9078 4.9810 4.9810 5.2158 5.2158 5.5544 5.5544 5.6318 5.6318 6.7230 6.7230 8.4772 8.4772 8.9870 8.9870 9.1923 9.1923 9.6600 9.6600 9.8875 9.8875 11.6927 11.6927 11.9047 11.9047 11.9082 11.9082 12.7507 12.7507 13.0796 13.0796 k = 0.2812 0.0494 0.0291 ( 4694 PWs) bands (ev): -52.4193 -52.4193 -52.3995 -52.3995 -26.7605 -26.7605 -26.6766 -26.6766 -19.2069 -19.2069 -18.9985 -18.9985 -18.9116 -18.9116 -18.9054 -18.9054 -5.3517 -5.3517 -4.4271 -4.4271 -3.6032 -3.6032 -3.3916 -3.3916 4.6590 4.6590 4.9157 4.9157 4.9809 4.9809 5.2433 5.2433 5.5545 5.5545 5.6321 5.6321 6.6452 6.6452 8.5102 8.5102 8.9892 8.9892 9.2143 9.2143 9.6672 9.6672 9.8794 9.8794 11.6838 11.6838 11.8986 11.8986 11.9086 11.9086 12.7591 12.7591 13.0849 13.0849 k = 0.2500 0.0439 0.0259 ( 4697 PWs) bands (ev): -52.4193 -52.4193 -52.3995 -52.3995 -26.7605 -26.7605 -26.6766 -26.6766 -19.2070 -19.2070 -18.9985 -18.9985 -18.9116 -18.9116 -18.9054 -18.9054 -5.3533 -5.3533 -4.4223 -4.4223 -3.6029 -3.6029 -3.3959 -3.3959 4.6588 4.6588 4.9230 4.9230 4.9809 4.9809 5.2759 5.2759 5.5545 5.5545 5.6325 5.6325 6.5640 6.5640 8.5406 8.5406 8.9902 8.9902 9.2396 9.2396 9.6753 9.6753 9.8704 9.8704 11.6738 11.6738 11.8928 11.8928 11.9090 11.9090 12.7677 12.7677 13.0911 13.0911 k = 0.2188 0.0384 0.0226 ( 4690 PWs) bands (ev): -52.4193 -52.4193 -52.3995 -52.3995 -26.7605 -26.7605 -26.6766 -26.6766 -19.2069 -19.2069 -18.9985 -18.9985 -18.9116 -18.9116 -18.9054 -18.9054 -5.3549 -5.3549 -4.4174 -4.4174 -3.6026 -3.6026 -3.4003 -3.4003 4.6587 4.6587 4.9295 4.9295 4.9808 4.9808 5.3133 5.3133 5.5546 5.5546 5.6331 5.6331 6.4811 6.4811 8.5678 8.5678 8.9901 8.9901 9.2672 9.2672 9.6842 9.6842 9.8606 9.8606 11.6631 11.6631 11.8876 11.8876 11.9094 11.9094 12.7760 12.7760 13.0979 13.0979 k = 0.1875 0.0329 0.0194 ( 4678 PWs) bands (ev): -52.4192 -52.4192 -52.3995 -52.3995 -26.7604 -26.7604 -26.6765 -26.6765 -19.2069 -19.2069 -18.9985 -18.9985 -18.9116 -18.9116 -18.9053 -18.9053 -5.3564 -5.3564 -4.4127 -4.4127 -3.6023 -3.6023 -3.4046 -3.4046 4.6586 4.6586 4.9350 4.9350 4.9808 4.9808 5.3548 5.3548 5.5546 5.5546 5.6339 5.6339 6.3984 6.3984 8.5913 8.5913 8.9891 8.9891 9.2955 9.2955 9.6938 9.6938 9.8500 9.8500 11.6522 11.6522 11.8830 11.8830 11.9098 11.9098 12.7838 12.7838 13.1053 13.1053 k = 0.1562 0.0275 0.0162 ( 4687 PWs) bands (ev): -52.4193 -52.4193 -52.3995 -52.3995 -26.7605 -26.7605 -26.6765 -26.6765 -19.2069 -19.2069 -18.9985 -18.9985 -18.9116 -18.9116 -18.9053 -18.9053 -5.3577 -5.3577 -4.4084 -4.4084 -3.6020 -3.6020 -3.4086 -3.4086 4.6585 4.6585 4.9394 4.9394 4.9807 4.9807 5.3993 5.3993 5.5546 5.5546 5.6351 5.6351 6.3175 6.3175 8.6110 8.6110 8.9876 8.9876 9.3228 9.3228 9.7040 9.7040 9.8391 9.8391 11.6416 11.6416 11.8792 11.8792 11.9101 11.9101 12.7908 12.7908 13.1127 13.1127 k = 0.1250 0.0220 0.0129 ( 4678 PWs) bands (ev): -52.4192 -52.4192 -52.3995 -52.3995 -26.7604 -26.7604 -26.6765 -26.6765 -19.2069 -19.2069 -18.9984 -18.9984 -18.9116 -18.9116 -18.9053 -18.9053 -5.3589 -5.3589 -4.4046 -4.4046 -3.6018 -3.6018 -3.4121 -3.4121 4.6584 4.6584 4.9430 4.9430 4.9807 4.9807 5.4450 5.4450 5.5547 5.5547 5.6370 5.6370 6.2406 6.2406 8.6269 8.6269 8.9858 8.9858 9.3477 9.3477 9.7145 9.7145 9.8278 9.8278 11.6318 11.6318 11.8761 11.8761 11.9105 11.9105 12.7967 12.7967 13.1199 13.1199 k = 0.0938 0.0165 0.0097 ( 4684 PWs) bands (ev): -52.4192 -52.4192 -52.3995 -52.3995 -26.7605 -26.7605 -26.6765 -26.6765 -19.2069 -19.2069 -18.9985 -18.9985 -18.9116 -18.9116 -18.9053 -18.9053 -5.3599 -5.3599 -4.4015 -4.4015 -3.6015 -3.6015 -3.4150 -3.4150 4.6584 4.6584 4.9456 4.9456 4.9807 4.9807 5.4887 5.4887 5.5547 5.5547 5.6402 5.6402 6.1706 6.1706 8.6392 8.6392 8.9841 8.9841 9.3687 9.3687 9.7250 9.7250 9.8168 9.8168 11.6235 11.6235 11.8738 11.8738 11.9107 11.9107 12.8015 12.8015 13.1262 13.1262 k = 0.0625 0.0110 0.0065 ( 4693 PWs) bands (ev): -52.4193 -52.4193 -52.3995 -52.3995 -26.7605 -26.7605 -26.6765 -26.6765 -19.2070 -19.2070 -18.9985 -18.9985 -18.9116 -18.9116 -18.9053 -18.9053 -5.3606 -5.3606 -4.3991 -4.3991 -3.6014 -3.6014 -3.4172 -3.4172 4.6583 4.6583 4.9474 4.9474 4.9806 4.9806 5.5257 5.5257 5.5547 5.5547 5.6452 5.6452 6.1118 6.1118 8.6479 8.6479 8.9827 8.9827 9.3846 9.3846 9.7348 9.7348 9.8065 9.8065 11.6171 11.6171 11.8722 11.8722 11.9109 11.9109 12.8050 12.8050 13.1311 13.1311 k = 0.0312 0.0055 0.0032 ( 4693 PWs) bands (ev): -52.4192 -52.4192 -52.3995 -52.3995 -26.7606 -26.7606 -26.6765 -26.6765 -19.2070 -19.2070 -18.9985 -18.9985 -18.9116 -18.9116 -18.9053 -18.9053 -5.3611 -5.3611 -4.3977 -4.3977 -3.6012 -3.6012 -3.4185 -3.4185 4.6583 4.6583 4.9485 4.9485 4.9806 4.9806 5.5502 5.5502 5.5547 5.5547 5.6514 5.6514 6.0711 6.0711 8.6531 8.6531 8.9817 8.9817 9.3945 9.3945 9.7426 9.7426 9.7984 9.7984 11.6131 11.6131 11.8712 11.8712 11.9110 11.9110 12.8071 12.8071 13.1343 13.1343 k = 0.0000 0.0000 0.0000 ( 4699 PWs) bands (ev): -52.4193 -52.4193 -52.3995 -52.3995 -26.7606 -26.7606 -26.6766 -26.6766 -19.2070 -19.2070 -18.9985 -18.9985 -18.9117 -18.9117 -18.9054 -18.9054 -5.3612 -5.3612 -4.3972 -4.3972 -3.6012 -3.6012 -3.4190 -3.4190 4.6583 4.6583 4.9489 4.9489 4.9806 4.9806 5.5547 5.5547 5.5585 5.5585 5.6546 5.6546 6.0562 6.0562 8.6548 8.6548 8.9814 8.9814 9.3979 9.3979 9.7458 9.7458 9.7951 9.7951 11.6118 11.6118 11.8709 11.8709 11.9111 11.9111 12.8078 12.8078 13.1354 13.1354 k = 0.0000 0.0000 0.0000 ( 4699 PWs) bands (ev): -52.4193 -52.4193 -52.3995 -52.3995 -26.7606 -26.7606 -26.6766 -26.6766 -19.2070 -19.2070 -18.9985 -18.9985 -18.9117 -18.9117 -18.9054 -18.9054 -5.3612 -5.3612 -4.3972 -4.3972 -3.6012 -3.6012 -3.4190 -3.4190 4.6583 4.6583 4.9489 4.9489 4.9806 4.9806 5.5547 5.5547 5.5585 5.5585 5.6546 5.6546 6.0562 6.0562 8.6548 8.6548 8.9814 8.9814 9.3979 9.3979 9.7458 9.7458 9.7951 9.7951 11.6118 11.6118 11.8709 11.8709 11.9111 11.9111 12.8078 12.8078 13.1354 13.1354 k = 0.0058-0.0160-0.0289 ( 4695 PWs) bands (ev): -52.4192 -52.4192 -52.3995 -52.3995 -26.7605 -26.7605 -26.6766 -26.6766 -19.2070 -19.2070 -18.9987 -18.9987 -18.9118 -18.9118 -18.9054 -18.9054 -5.3601 -5.3601 -4.3963 -4.3963 -3.6006 -3.6006 -3.4186 -3.4186 4.6583 4.6583 4.9467 4.9467 4.9787 4.9787 5.5538 5.5538 5.5627 5.5627 5.6544 5.6544 6.0597 6.0597 8.6508 8.6508 8.9774 8.9774 9.3947 9.3947 9.7402 9.7402 9.7907 9.7907 11.6154 11.6154 11.8731 11.8731 11.9122 11.9122 12.8099 12.8099 13.1391 13.1391 k = 0.0116-0.0320-0.0578 ( 4691 PWs) bands (ev): -52.4192 -52.4192 -52.3995 -52.3995 -26.7606 -26.7606 -26.6767 -26.6767 -19.2070 -19.2070 -18.9994 -18.9994 -18.9123 -18.9123 -18.9054 -18.9054 -5.3569 -5.3569 -4.3936 -4.3936 -3.5989 -3.5989 -3.4174 -3.4174 4.6583 4.6583 4.9384 4.9384 4.9753 4.9753 5.5502 5.5502 5.5745 5.5745 5.6555 5.6555 6.0701 6.0701 8.6386 8.6386 8.9654 8.9654 9.3853 9.3853 9.7237 9.7237 9.7778 9.7778 11.6264 11.6264 11.8798 11.8798 11.9157 11.9157 12.8161 12.8161 13.1500 13.1500 k = 0.0174-0.0480-0.0867 ( 4683 PWs) bands (ev): -52.4192 -52.4192 -52.3995 -52.3995 -26.7607 -26.7607 -26.6770 -26.6770 -19.2070 -19.2070 -19.0006 -19.0006 -18.9131 -18.9131 -18.9054 -18.9054 -5.3514 -5.3514 -4.3891 -4.3891 -3.5960 -3.5960 -3.4154 -3.4154 4.6583 4.6583 4.9213 4.9213 4.9742 4.9742 5.5423 5.5423 5.5911 5.5911 5.6617 5.6617 6.0864 6.0864 8.6182 8.6182 8.9454 8.9454 9.3696 9.3696 9.6972 9.6972 9.7570 9.7570 11.6443 11.6443 11.8904 11.8904 11.9215 11.9215 12.8259 12.8259 13.1672 13.1672 k = 0.0232-0.0641-0.1156 ( 4683 PWs) bands (ev): -52.4191 -52.4191 -52.3995 -52.3995 -26.7608 -26.7608 -26.6773 -26.6773 -19.2071 -19.2071 -19.0022 -19.0022 -18.9143 -18.9143 -18.9054 -18.9054 -5.3438 -5.3438 -4.3828 -4.3828 -3.5919 -3.5919 -3.4126 -3.4126 4.6582 4.6582 4.8968 4.8968 4.9759 4.9759 5.5289 5.5289 5.6089 5.6089 5.6773 5.6773 6.1073 6.1073 8.5894 8.5894 8.9172 8.9172 9.3478 9.3478 9.6622 9.6622 9.7290 9.7290 11.6688 11.6688 11.9044 11.9044 11.9298 11.9298 12.8388 12.8388 13.1841 13.1841 k = 0.0290-0.0801-0.1445 ( 4685 PWs) bands (ev): -52.4190 -52.4190 -52.3995 -52.3995 -26.7610 -26.7610 -26.6778 -26.6778 -19.2072 -19.2072 -19.0043 -19.0043 -18.9158 -18.9158 -18.9054 -18.9054 -5.3340 -5.3340 -4.3748 -4.3748 -3.5867 -3.5867 -3.4091 -3.4091 4.6579 4.6579 4.8676 4.8676 4.9794 4.9794 5.5104 5.5104 5.6263 5.6263 5.7033 5.7033 6.1319 6.1319 8.5521 8.5521 8.8808 8.8808 9.3197 9.3197 9.6203 9.6203 9.6952 9.6952 11.6993 11.6993 11.9203 11.9203 11.9420 11.9420 12.8542 12.8542 13.1906 13.1906 k = 0.0348-0.0961-0.1735 ( 4681 PWs) bands (ev): -52.4189 -52.4189 -52.3994 -52.3994 -26.7611 -26.7611 -26.6785 -26.6785 -19.2072 -19.2072 -19.0067 -19.0067 -18.9178 -18.9178 -18.9054 -18.9054 -5.3221 -5.3221 -4.3651 -4.3651 -3.5803 -3.5803 -3.4047 -3.4047 4.6572 4.6572 4.8355 4.8355 4.9840 4.9840 5.4882 5.4882 5.6442 5.6442 5.7368 5.7368 6.1591 6.1591 8.5063 8.5063 8.8361 8.8361 9.2854 9.2854 9.5733 9.5733 9.6568 9.6568 11.7345 11.7345 11.9353 11.9353 11.9605 11.9605 12.8717 12.8717 13.1948 13.1948 k = 0.0406-0.1121-0.2024 ( 4671 PWs) bands (ev): -52.4187 -52.4187 -52.3994 -52.3994 -26.7613 -26.7613 -26.6791 -26.6791 -19.2073 -19.2073 -19.0096 -19.0096 -18.9201 -18.9201 -18.9054 -18.9054 -5.3082 -5.3082 -4.3538 -4.3538 -3.5728 -3.5728 -3.3996 -3.3996 4.6557 4.6557 4.8025 4.8025 4.9893 4.9893 5.4641 5.4641 5.6638 5.6638 5.7747 5.7747 6.1881 6.1881 8.4520 8.4520 8.7831 8.7831 9.2450 9.2450 9.5231 9.5231 9.6154 9.6154 11.7729 11.7729 11.9488 11.9488 11.9864 11.9864 12.8912 12.8912 13.2002 13.2002 k = 0.0465-0.1281-0.2313 ( 4679 PWs) bands (ev): -52.4186 -52.4186 -52.3994 -52.3994 -26.7615 -26.7615 -26.6800 -26.6800 -19.2074 -19.2074 -19.0128 -19.0128 -18.9228 -18.9228 -18.9055 -18.9055 -5.2922 -5.2922 -4.3408 -4.3408 -3.5642 -3.5642 -3.3937 -3.3937 4.6528 4.6528 4.7699 4.7699 4.9950 4.9950 5.4393 5.4393 5.6859 5.6859 5.8149 5.8149 6.2186 6.2186 8.3894 8.3894 8.7220 8.7220 9.1986 9.1986 9.4710 9.4710 9.5723 9.5723 11.8119 11.8119 11.9626 11.9626 12.0194 12.0194 12.9125 12.9125 13.2076 13.2076 k = 0.0523-0.1441-0.2602 ( 4677 PWs) bands (ev): -52.4184 -52.4184 -52.3994 -52.3994 -26.7618 -26.7618 -26.6810 -26.6810 -19.2076 -19.2076 -19.0164 -19.0164 -18.9257 -18.9257 -18.9055 -18.9055 -5.2743 -5.2743 -4.3264 -4.3264 -3.5545 -3.5545 -3.3871 -3.3871 4.6472 4.6472 4.7397 4.7397 5.0006 5.0006 5.4152 5.4152 5.7105 5.7105 5.8559 5.8559 6.2499 6.2499 8.3191 8.3191 8.6530 8.6530 9.1465 9.1465 9.4179 9.4179 9.5287 9.5287 11.8479 11.8479 11.9787 11.9787 12.0600 12.0600 12.9356 12.9356 13.2176 13.2176 k = 0.0581-0.1601-0.2891 ( 4681 PWs) bands (ev): -52.4183 -52.4183 -52.3994 -52.3994 -26.7622 -26.7622 -26.6820 -26.6820 -19.2078 -19.2078 -19.0203 -19.0203 -18.9290 -18.9290 -18.9057 -18.9057 -5.2545 -5.2545 -4.3104 -4.3104 -3.5437 -3.5437 -3.3796 -3.3796 4.6366 4.6366 4.7148 4.7148 5.0057 5.0057 5.3926 5.3926 5.7379 5.7379 5.8967 5.8967 6.2819 6.2819 8.2418 8.2418 8.5768 8.5768 9.0895 9.0895 9.3642 9.3642 9.4856 9.4856 11.8773 11.8773 11.9987 11.9987 12.1092 12.1092 12.9601 12.9601 13.2306 13.2306 k = 0.0639-0.1761-0.3180 ( 4679 PWs) bands (ev): -52.4180 -52.4180 -52.3993 -52.3993 -26.7625 -26.7625 -26.6831 -26.6831 -19.2080 -19.2080 -19.0245 -19.0245 -18.9325 -18.9325 -18.9058 -18.9058 -5.2328 -5.2328 -4.2932 -4.2932 -3.5318 -3.5318 -3.3714 -3.3714 4.6187 4.6187 4.6976 4.6976 5.0100 5.0100 5.3726 5.3726 5.7679 5.7679 5.9362 5.9362 6.3143 6.3143 8.1581 8.1581 8.4943 8.4943 9.0281 9.0281 9.3098 9.3098 9.4437 9.4437 11.8981 11.8981 12.0233 12.0233 12.1675 12.1675 12.9855 12.9855 13.2472 13.2472 k = 0.0697-0.1922-0.3469 ( 4683 PWs) bands (ev): -52.4178 -52.4178 -52.3993 -52.3993 -26.7629 -26.7629 -26.6844 -26.6844 -19.2083 -19.2083 -19.0290 -19.0290 -18.9363 -18.9363 -18.9061 -18.9061 -5.2093 -5.2093 -4.2746 -4.2746 -3.5189 -3.5189 -3.3624 -3.3624 4.5948 4.5948 4.6873 4.6873 5.0129 5.0129 5.3562 5.3562 5.8005 5.8005 5.9737 5.9737 6.3470 6.3470 8.0690 8.0690 8.4066 8.4066 8.9632 8.9632 9.2546 9.2546 9.4031 9.4031 11.9111 11.9111 12.0515 12.0515 12.2341 12.2341 13.0112 13.0112 13.2680 13.2680 k = 0.0755-0.2082-0.3758 ( 4677 PWs) bands (ev): -52.4176 -52.4176 -52.3993 -52.3993 -26.7632 -26.7632 -26.6856 -26.6856 -19.2086 -19.2086 -19.0337 -19.0337 -18.9403 -18.9403 -18.9064 -18.9064 -5.1841 -5.1841 -4.2548 -4.2548 -3.5049 -3.5049 -3.3527 -3.3527 4.5679 4.5679 4.6807 4.6807 5.0141 5.0141 5.3439 5.3439 5.8356 5.8356 6.0084 6.0084 6.3797 6.3797 7.9754 7.9754 8.3151 8.3151 8.8955 8.8955 9.1985 9.1985 9.3639 9.3639 11.9186 11.9186 12.0818 12.0818 12.3075 12.3075 13.0361 13.0361 13.2939 13.2939 k = 0.0813-0.2242-0.4047 ( 4683 PWs) bands (ev): -52.4173 -52.4173 -52.3993 -52.3993 -26.7637 -26.7637 -26.6871 -26.6871 -19.2089 -19.2089 -19.0387 -19.0387 -18.9445 -18.9445 -18.9069 -18.9069 -5.1572 -5.1572 -4.2340 -4.2340 -3.4899 -3.4899 -3.3421 -3.3421 4.5405 4.5405 4.6755 4.6755 5.0135 5.0135 5.3363 5.3363 5.8732 5.8732 6.0396 6.0396 6.4125 6.4125 7.8781 7.8781 8.2213 8.2213 8.8254 8.8254 9.1416 9.1416 9.3256 9.3256 11.9224 11.9224 12.1130 12.1130 12.3858 12.3858 13.0596 13.0596 13.3257 13.3257 k = 0.0871-0.2402-0.4336 ( 4677 PWs) bands (ev): -52.4171 -52.4171 -52.3992 -52.3992 -26.7641 -26.7641 -26.6885 -26.6885 -19.2093 -19.2093 -19.0438 -19.0438 -18.9488 -18.9488 -18.9074 -18.9074 -5.1289 -5.1289 -4.2123 -4.2123 -3.4740 -3.4740 -3.3308 -3.3308 4.5137 4.5137 4.6704 4.6704 5.0113 5.0113 5.3334 5.3334 5.9130 5.9130 6.0664 6.0664 6.4451 6.4451 7.7780 7.7780 8.1270 8.1270 8.7535 8.7535 9.0838 9.0838 9.2880 9.2880 11.9239 11.9239 12.1447 12.1447 12.4672 12.4672 13.0812 13.0812 13.3637 13.3637 k = 0.0929-0.2562-0.4625 ( 4671 PWs) bands (ev): -52.4168 -52.4168 -52.3992 -52.3992 -26.7644 -26.7644 -26.6901 -26.6901 -19.2097 -19.2097 -19.0490 -19.0490 -18.9533 -18.9533 -18.9080 -18.9080 -5.0990 -5.0990 -4.1897 -4.1897 -3.4571 -3.4571 -3.3187 -3.3187 4.4883 4.4883 4.6648 4.6648 5.0081 5.0081 5.3350 5.3350 5.9551 5.9551 6.0881 6.0881 6.4775 6.4775 7.6758 7.6758 8.0339 8.0339 8.6800 8.6800 9.0252 9.0252 9.2505 9.2505 11.9238 11.9238 12.1764 12.1764 12.5499 12.5499 13.1006 13.1006 13.4081 13.4081 k = 0.0987-0.2722-0.4914 ( 4677 PWs) bands (ev): -52.4165 -52.4165 -52.3992 -52.3992 -26.7649 -26.7649 -26.6917 -26.6917 -19.2102 -19.2102 -19.0545 -19.0545 -18.9579 -18.9579 -18.9088 -18.9088 -5.0678 -5.0678 -4.1665 -4.1665 -3.4392 -3.4392 -3.3058 -3.3058 4.4645 4.4645 4.6584 4.6584 5.0044 5.0044 5.3406 5.3406 5.9991 5.9991 6.1038 6.1038 6.5095 6.5095 7.5722 7.5722 7.9438 7.9438 8.6053 8.6053 8.9658 8.9658 9.2128 9.2128 11.9228 11.9228 12.2081 12.2081 12.6321 12.6321 13.1180 13.1180 13.4588 13.4588 k = 0.1045-0.2882-0.5204 ( 4679 PWs) bands (ev): -52.4162 -52.4162 -52.3992 -52.3992 -26.7654 -26.7654 -26.6934 -26.6934 -19.2108 -19.2108 -19.0601 -19.0601 -18.9626 -18.9626 -18.9097 -18.9097 -5.0354 -5.0354 -4.1428 -4.1428 -3.4205 -3.4205 -3.2920 -3.2920 4.4426 4.4426 4.6508 4.6508 5.0011 5.0011 5.3495 5.3495 6.0448 6.0448 6.1129 6.1129 6.5408 6.5408 7.4675 7.4675 7.8585 7.8585 8.5296 8.5296 8.9058 8.9058 9.1746 9.1746 11.9213 11.9213 12.2396 12.2396 12.7118 12.7118 13.1339 13.1339 13.5149 13.5149 k = 0.1103-0.3043-0.5493 ( 4679 PWs) bands (ev): -52.4159 -52.4159 -52.3992 -52.3992 -26.7658 -26.7658 -26.6952 -26.6952 -19.2115 -19.2115 -19.0657 -19.0657 -18.9674 -18.9674 -18.9107 -18.9107 -5.0018 -5.0018 -4.1186 -4.1186 -3.4008 -3.4008 -3.2774 -3.2774 4.4226 4.4226 4.6420 4.6420 4.9988 4.9988 5.3610 5.3610 6.0907 6.0907 6.1159 6.1159 6.5714 6.5714 7.3625 7.3625 7.7798 7.7798 8.4531 8.4531 8.8453 8.8453 9.1356 9.1356 11.9197 11.9197 12.2706 12.2706 12.7870 12.7870 13.1487 13.1487 13.5751 13.5751 k = 0.1161-0.3203-0.5782 ( 4677 PWs) bands (ev): -52.4156 -52.4156 -52.3991 -52.3991 -26.7662 -26.7662 -26.6970 -26.6970 -19.2122 -19.2122 -19.0714 -19.0714 -18.9721 -18.9721 -18.9118 -18.9118 -4.9672 -4.9672 -4.0943 -4.0943 -3.3804 -3.3804 -3.2619 -3.2619 4.4047 4.4047 4.6321 4.6321 4.9982 4.9982 5.3743 5.3743 6.1047 6.1047 6.1441 6.1441 6.6006 6.6006 7.2578 7.2578 7.7091 7.7091 8.3762 8.3762 8.7842 8.7842 9.0954 9.0954 11.9183 11.9183 12.3010 12.3010 12.8559 12.8559 13.1629 13.1629 13.6374 13.6374 k = 0.1219-0.3363-0.6071 ( 4685 PWs) bands (ev): -52.4152 -52.4152 -52.3991 -52.3991 -26.7667 -26.7667 -26.6989 -26.6989 -19.2130 -19.2130 -19.0772 -19.0772 -18.9769 -18.9769 -18.9130 -18.9130 -4.9317 -4.9317 -4.0698 -4.0698 -3.3591 -3.3591 -3.2455 -3.2455 4.3887 4.3887 4.6212 4.6212 4.9995 4.9995 5.3888 5.3888 6.0905 6.0905 6.1933 6.1933 6.6280 6.6280 7.1544 7.1544 7.6473 7.6473 8.2991 8.2991 8.7227 8.7227 9.0541 9.0541 11.9173 11.9173 12.3307 12.3307 12.9163 12.9163 13.1768 13.1768 13.6979 13.6979 k = 0.1278-0.3523-0.6360 ( 4681 PWs) bands (ev): -52.4149 -52.4149 -52.3991 -52.3991 -26.7671 -26.7671 -26.7008 -26.7008 -19.2139 -19.2139 -19.0829 -19.0829 -18.9816 -18.9816 -18.9144 -18.9144 -4.8954 -4.8954 -4.0455 -4.0455 -3.3370 -3.3370 -3.2282 -3.2282 4.3747 4.3747 4.6095 4.6095 5.0030 5.0030 5.4040 5.4040 6.0674 6.0674 6.2439 6.2439 6.6521 6.6521 7.0542 7.0542 7.5950 7.5950 8.2220 8.2220 8.6609 8.6609 9.0114 9.0114 11.9170 11.9170 12.3594 12.3594 12.9663 12.9663 13.1907 13.1907 13.7512 13.7512 k = 0.1336-0.3683-0.6649 ( 4683 PWs) bands (ev): -52.4145 -52.4145 -52.3991 -52.3991 -26.7676 -26.7676 -26.7027 -26.7027 -19.2149 -19.2149 -19.0886 -19.0886 -18.9864 -18.9864 -18.9158 -18.9158 -4.8584 -4.8584 -4.0215 -4.0215 -3.3143 -3.3143 -3.2100 -3.2100 4.3626 4.3626 4.5974 4.5974 5.0088 5.0088 5.4193 5.4193 6.0364 6.0364 6.2945 6.2945 6.6696 6.6696 6.9613 6.9613 7.5521 7.5521 8.1453 8.1453 8.5989 8.5989 8.9673 8.9673 11.9175 11.9175 12.3869 12.3869 13.0039 13.0039 13.2047 13.2047 13.7897 13.7897 k = 0.1394-0.3843-0.6938 ( 4683 PWs) bands (ev): -52.4141 -52.4141 -52.3991 -52.3991 -26.7680 -26.7680 -26.7047 -26.7047 -19.2160 -19.2160 -19.0943 -19.0943 -18.9910 -18.9910 -18.9174 -18.9174 -4.8209 -4.8209 -3.9979 -3.9979 -3.2908 -3.2908 -3.1908 -3.1908 4.3522 4.3522 4.5850 4.5850 5.0167 5.0167 5.4341 5.4341 5.9987 5.9987 6.3437 6.3437 6.6722 6.6722 6.8857 6.8857 7.5180 7.5180 8.0693 8.0693 8.5368 8.5368 8.9218 8.9218 11.9190 11.9190 12.4130 12.4130 13.0264 13.0264 13.2188 13.2188 13.8066 13.8066 k = 0.1452-0.4003-0.7227 ( 4681 PWs) bands (ev): -52.4138 -52.4138 -52.3991 -52.3991 -26.7684 -26.7684 -26.7067 -26.7067 -19.2173 -19.2173 -19.0999 -19.0999 -18.9956 -18.9956 -18.9190 -18.9190 -4.7829 -4.7829 -3.9748 -3.9748 -3.2667 -3.2667 -3.1706 -3.1706 4.3434 4.3434 4.5728 4.5728 5.0267 5.0267 5.4481 5.4481 5.9555 5.9555 6.3881 6.3881 6.6459 6.6459 6.8446 6.8446 7.4914 7.4914 7.9945 7.9945 8.4748 8.4748 8.8749 8.8749 11.9214 11.9214 12.4375 12.4375 13.0307 13.0307 13.2335 13.2335 13.8007 13.8007 k = 0.1510-0.4164-0.7516 ( 4673 PWs) bands (ev): -52.4134 -52.4134 -52.3991 -52.3991 -26.7687 -26.7687 -26.7087 -26.7087 -19.2186 -19.2186 -19.1053 -19.1053 -19.0000 -19.0000 -18.9208 -18.9208 -4.7446 -4.7446 -3.9525 -3.9525 -3.2420 -3.2420 -3.1495 -3.1495 4.3359 4.3359 4.5610 4.5610 5.0387 5.0387 5.4607 5.4607 5.9085 5.9085 6.4166 6.4166 6.6009 6.6009 6.8391 6.8391 7.4710 7.4710 7.9216 7.9216 8.4129 8.4129 8.8267 8.8267 11.9248 11.9248 12.4600 12.4600 13.0136 13.0136 13.2492 13.2492 13.7791 13.7791 k = 0.1568-0.4324-0.7805 ( 4678 PWs) bands (ev): -52.4130 -52.4130 -52.3991 -52.3991 -26.7691 -26.7691 -26.7108 -26.7108 -19.2201 -19.2201 -19.1105 -19.1105 -19.0045 -19.0045 -18.9227 -18.9227 -4.7062 -4.7062 -3.9310 -3.9310 -3.2169 -3.2169 -3.1274 -3.1274 4.3296 4.3296 4.5497 4.5497 5.0527 5.0527 5.4713 5.4713 5.8594 5.8594 6.4007 6.4007 6.5840 6.5840 6.8507 6.8507 7.4548 7.4548 7.8517 7.8517 8.3514 8.3514 8.7774 8.7774 11.9290 11.9290 12.4803 12.4803 12.9735 12.9735 13.2665 13.2665 13.7525 13.7525 k = 0.1626-0.4484-0.8094 ( 4676 PWs) bands (ev): -52.4126 -52.4126 -52.3991 -52.3991 -26.7694 -26.7694 -26.7129 -26.7129 -19.2217 -19.2217 -19.1156 -19.1156 -19.0088 -19.0088 -18.9246 -18.9246 -4.6677 -4.6677 -3.9105 -3.9105 -3.1912 -3.1912 -3.1044 -3.1044 4.3240 4.3240 4.5393 4.5393 5.0683 5.0683 5.4793 5.4793 5.8100 5.8100 6.3380 6.3380 6.6087 6.6087 6.8682 6.8682 7.4402 7.4402 7.7862 7.7862 8.2904 8.2904 8.7272 8.7272 11.9336 11.9336 12.4977 12.4977 12.9118 12.9118 13.2853 13.2853 13.7283 13.7283 k = 0.1684-0.4644-0.8383 ( 4672 PWs) bands (ev): -52.4122 -52.4122 -52.3992 -52.3992 -26.7697 -26.7697 -26.7149 -26.7149 -19.2235 -19.2235 -19.1204 -19.1204 -19.0129 -19.0129 -18.9267 -18.9267 -4.6293 -4.6293 -3.8911 -3.8911 -3.1652 -3.1652 -3.0806 -3.0806 4.3188 4.3188 4.5299 4.5299 5.0856 5.0856 5.4842 5.4842 5.7620 5.7620 6.2588 6.2588 6.6485 6.6485 6.8875 6.8875 7.4243 7.4243 7.7278 7.7278 8.2300 8.2300 8.6763 8.6763 11.9379 11.9379 12.5114 12.5114 12.8338 12.8338 13.3053 13.3053 13.7094 13.7094 k = 0.1742-0.4804-0.8673 ( 4670 PWs) bands (ev): -52.4118 -52.4118 -52.3992 -52.3992 -26.7700 -26.7700 -26.7169 -26.7169 -19.2254 -19.2254 -19.1249 -19.1249 -19.0169 -19.0169 -18.9288 -18.9288 -4.5911 -4.5911 -3.8728 -3.8728 -3.1388 -3.1388 -3.0560 -3.0560 4.3137 4.3137 4.5216 4.5216 5.1042 5.1042 5.4850 5.4850 5.7172 5.7172 6.1769 6.1769 6.6910 6.6910 6.9068 6.9068 7.4030 7.4030 7.6798 7.6798 8.1706 8.1706 8.6250 8.6250 11.9406 11.9406 12.5193 12.5193 12.7474 12.7474 13.3258 13.3258 13.6953 13.6953 k = 0.1800-0.4964-0.8962 ( 4666 PWs) bands (ev): -52.4114 -52.4114 -52.3992 -52.3992 -26.7703 -26.7703 -26.7189 -26.7189 -19.2275 -19.2275 -19.1291 -19.1291 -19.0208 -19.0208 -18.9309 -18.9309 -4.5533 -4.5533 -3.8558 -3.8558 -3.1121 -3.1121 -3.0306 -3.0306 4.3083 4.3083 4.5146 4.5146 5.1241 5.1241 5.4808 5.4808 5.6773 5.6773 6.0969 6.0969 6.7320 6.7320 6.9252 6.9252 7.3730 7.3730 7.6455 7.6455 8.1122 8.1122 8.5737 8.5737 11.9394 11.9394 12.5155 12.5155 12.6652 12.6652 13.3459 13.3459 13.6847 13.6847 k = 0.1858-0.5124-0.9251 ( 4658 PWs) bands (ev): -52.4110 -52.4110 -52.3993 -52.3993 -26.7704 -26.7704 -26.7209 -26.7209 -19.2298 -19.2298 -19.1329 -19.1329 -19.0245 -19.0245 -18.9332 -18.9332 -4.5159 -4.5159 -3.8400 -3.8400 -3.0852 -3.0852 -3.0047 -3.0047 4.3022 4.3022 4.5089 4.5089 5.1451 5.1451 5.4709 5.4709 5.6439 5.6439 6.0208 6.0208 6.7689 6.7689 6.9420 6.9420 7.3336 7.3336 7.6259 7.6259 8.0552 8.0552 8.5227 8.5227 11.9308 11.9308 12.4848 12.4848 12.6098 12.6098 13.3643 13.3643 13.6764 13.6764 k = 0.1916-0.5284-0.9540 ( 4656 PWs) bands (ev): -52.4106 -52.4106 -52.3993 -52.3993 -26.7706 -26.7706 -26.7230 -26.7230 -19.2322 -19.2322 -19.1364 -19.1364 -19.0282 -19.0282 -18.9355 -18.9355 -4.4791 -4.4791 -3.8254 -3.8254 -3.0583 -3.0583 -2.9784 -2.9784 4.2952 4.2952 4.5046 4.5046 5.1668 5.1668 5.4551 5.4551 5.6176 5.6176 5.9502 5.9502 6.7995 6.7995 6.9569 6.9569 7.2878 7.2878 7.6184 7.6184 7.9999 7.9999 8.4727 8.4727 11.9092 11.9092 12.4281 12.4281 12.5881 12.5881 13.3795 13.3795 13.6698 13.6698 k = 0.1974-0.5445-0.9829 ( 4656 PWs) bands (ev): -52.4102 -52.4102 -52.3994 -52.3994 -26.7708 -26.7708 -26.7250 -26.7250 -19.2349 -19.2349 -19.1394 -19.1394 -19.0317 -19.0317 -18.9378 -18.9378 -4.4430 -4.4430 -3.8122 -3.8122 -3.0312 -3.0312 -2.9517 -2.9517 4.2869 4.2869 4.5016 4.5016 5.1891 5.1891 5.4340 5.4340 5.5983 5.5983 5.8859 5.8859 6.8211 6.8211 6.9695 6.9695 7.2403 7.2403 7.6194 7.6194 7.9466 7.9466 8.4240 8.4240 11.8686 11.8686 12.3753 12.3753 12.5784 12.5784 13.3899 13.3899 13.6648 13.6648 k = 0.2032-0.5605-1.0118 ( 4656 PWs) bands (ev): -52.4098 -52.4098 -52.3994 -52.3994 -26.7709 -26.7709 -26.7269 -26.7269 -19.2376 -19.2376 -19.1421 -19.1421 -19.0352 -19.0352 -18.9402 -18.9402 -4.4077 -4.4077 -3.8003 -3.8003 -3.0042 -3.0042 -2.9249 -2.9249 4.2773 4.2773 4.5000 4.5000 5.2114 5.2114 5.4088 5.4088 5.5853 5.5853 5.8287 5.8287 6.8305 6.8305 6.9795 6.9795 7.1962 7.1962 7.6255 7.6255 7.8960 7.8960 8.3775 8.3775 11.8060 11.8060 12.3420 12.3420 12.5691 12.5691 13.3943 13.3943 13.6606 13.6606 k = 0.2090-0.5765-1.0407 ( 4654 PWs) bands (ev): -52.4095 -52.4095 -52.3995 -52.3995 -26.7710 -26.7710 -26.7288 -26.7288 -19.2405 -19.2405 -19.1443 -19.1443 -19.0385 -19.0385 -18.9426 -18.9426 -4.3733 -4.3733 -3.7896 -3.7896 -2.9773 -2.9773 -2.8982 -2.8982 4.2664 4.2664 4.4996 4.4996 5.2332 5.2332 5.3811 5.3811 5.5780 5.5780 5.7787 5.7787 6.8244 6.8244 6.9872 6.9872 7.1594 7.1594 7.6334 7.6334 7.8492 7.8492 8.3339 8.3339 11.7248 11.7248 12.3293 12.3293 12.5567 12.5567 13.3925 13.3925 13.6555 13.6555 k = 0.2149-0.5925-1.0696 ( 4654 PWs) bands (ev): -52.4091 -52.4091 -52.3996 -52.3996 -26.7711 -26.7711 -26.7307 -26.7307 -19.2434 -19.2434 -19.1461 -19.1461 -19.0418 -19.0418 -18.9450 -18.9450 -4.3398 -4.3398 -3.7801 -3.7801 -2.9506 -2.9506 -2.8717 -2.8717 4.2545 4.2545 4.5005 4.5005 5.2527 5.2527 5.3533 5.3533 5.5762 5.5762 5.7361 5.7361 6.8013 6.8013 6.9920 6.9920 7.1321 7.1321 7.6392 7.6392 7.8084 7.8084 8.2941 8.2941 11.6315 11.6315 12.3325 12.3325 12.5398 12.5398 13.3853 13.3853 13.6470 13.6470 k = 0.2207-0.6085-1.0985 ( 4654 PWs) bands (ev): -52.4087 -52.4087 -52.3997 -52.3997 -26.7711 -26.7711 -26.7326 -26.7326 -19.2465 -19.2465 -19.1475 -19.1475 -19.0450 -19.0450 -18.9474 -18.9474 -4.3075 -4.3075 -3.7718 -3.7718 -2.9242 -2.9242 -2.8456 -2.8456 4.2418 4.2418 4.5025 4.5025 5.2631 5.2631 5.3326 5.3326 5.5786 5.5786 5.7012 5.7012 6.7633 6.7633 6.9934 6.9934 7.1132 7.1132 7.6373 7.6373 7.7775 7.7775 8.2591 8.2591 11.5324 11.5324 12.3465 12.3465 12.5180 12.5180 13.3745 13.3745 13.6335 13.6335 k = 0.2265-0.6245-1.1274 ( 4658 PWs) bands (ev): -52.4083 -52.4083 -52.3998 -52.3998 -26.7711 -26.7711 -26.7344 -26.7344 -19.2495 -19.2495 -19.1484 -19.1484 -19.0482 -19.0482 -18.9499 -18.9499 -4.2763 -4.2763 -3.7646 -3.7646 -2.8982 -2.8982 -2.8202 -2.8202 4.2287 4.2287 4.5055 4.5055 5.2510 5.2510 5.3334 5.3334 5.5818 5.5818 5.6770 5.6770 6.7143 6.7143 6.9904 6.9904 7.0999 7.0999 7.6220 7.6220 7.7604 7.7604 8.2302 8.2302 11.4320 11.4320 12.3674 12.3674 12.4912 12.4912 13.3619 13.3619 13.6152 13.6152 k = 0.2323-0.6405-1.1563 ( 4658 PWs) bands (ev): -52.4079 -52.4079 -52.3999 -52.3999 -26.7710 -26.7710 -26.7362 -26.7362 -19.2526 -19.2526 -19.1490 -19.1490 -19.0513 -19.0513 -18.9523 -18.9523 -4.2463 -4.2463 -3.7585 -3.7585 -2.8727 -2.8727 -2.7955 -2.7955 4.2159 4.2159 4.5095 4.5095 5.2231 5.2231 5.3496 5.3496 5.5783 5.5783 5.6697 5.6697 6.6582 6.6582 6.9821 6.9821 7.0894 7.0894 7.5942 7.5942 7.7545 7.7545 8.2084 8.2084 11.3332 11.3332 12.3922 12.3922 12.4601 12.4601 13.3492 13.3492 13.5938 13.5938 k = 0.2381-0.6566-1.1852 ( 4662 PWs) bands (ev): -52.4076 -52.4076 -52.4000 -52.4000 -26.7710 -26.7710 -26.7379 -26.7379 -19.2557 -19.2557 -19.1491 -19.1491 -19.0544 -19.0544 -18.9546 -18.9546 -4.2177 -4.2177 -3.7534 -3.7534 -2.8478 -2.8478 -2.7718 -2.7718 4.2038 4.2038 4.5144 4.5144 5.1915 5.1915 5.3681 5.3681 5.5667 5.5667 5.6815 5.6815 6.5979 6.5979 6.9684 6.9684 7.0796 7.0796 7.5595 7.5595 7.7527 7.7527 8.1946 8.1946 11.2380 11.2380 12.4107 12.4107 12.4336 12.4336 13.3375 13.3375 13.5713 13.5713 k = 0.2439-0.6726-1.2142 ( 4652 PWs) bands (ev): -52.4072 -52.4072 -52.4001 -52.4001 -26.7708 -26.7708 -26.7395 -26.7395 -19.2586 -19.2586 -19.1488 -19.1488 -19.0574 -19.0574 -18.9569 -18.9569 -4.1904 -4.1904 -3.7492 -3.7492 -2.8237 -2.8237 -2.7491 -2.7491 4.1931 4.1931 4.5200 4.5200 5.1604 5.1604 5.3817 5.3817 5.5560 5.5560 5.7059 5.7059 6.5354 6.5354 6.9493 6.9493 7.0692 7.0692 7.5222 7.5222 7.7496 7.7496 8.1891 8.1891 11.1477 11.1477 12.3800 12.3800 12.4542 12.4542 13.3275 13.3275 13.5495 13.5495 k = 0.2497-0.6886-1.2431 ( 4650 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7707 -26.7707 -26.7410 -26.7410 -19.2615 -19.2615 -19.1482 -19.1482 -19.0605 -19.0605 -18.9592 -18.9592 -4.1646 -4.1646 -3.7459 -3.7459 -2.8004 -2.8004 -2.7278 -2.7278 4.1842 4.1842 4.5264 4.5264 5.1315 5.1315 5.3832 5.3832 5.5566 5.5566 5.7375 5.7375 6.4718 6.4718 6.9252 6.9252 7.0571 7.0571 7.4843 7.4843 7.7429 7.7429 8.1914 8.1914 11.0632 11.0632 12.3383 12.3383 12.4835 12.4835 13.3196 13.3196 13.5299 13.5299 k = 0.2555-0.7046-1.2720 ( 4646 PWs) bands (ev): -52.4065 -52.4065 -52.4004 -52.4004 -26.7704 -26.7704 -26.7425 -26.7425 -19.2643 -19.2643 -19.1473 -19.1473 -19.0635 -19.0635 -18.9613 -18.9613 -4.1402 -4.1402 -3.7433 -3.7433 -2.7781 -2.7781 -2.7078 -2.7078 4.1776 4.1776 4.5332 4.5332 5.1055 5.1055 5.3698 5.3698 5.5729 5.5729 5.7736 5.7736 6.4082 6.4082 6.8968 6.8968 7.0427 7.0427 7.4469 7.4469 7.7324 7.7324 8.2002 8.2002 10.9854 10.9854 12.2945 12.2945 12.5129 12.5129 13.3136 13.3136 13.5135 13.5135 k = 0.2613-0.7206-1.3009 ( 4660 PWs) bands (ev): -52.4062 -52.4062 -52.4005 -52.4005 -26.7703 -26.7703 -26.7440 -26.7440 -19.2670 -19.2670 -19.1461 -19.1461 -19.0666 -19.0666 -18.9634 -18.9634 -4.1174 -4.1174 -3.7415 -3.7415 -2.7569 -2.7569 -2.6893 -2.6893 4.1739 4.1739 4.5404 4.5404 5.0830 5.0830 5.3450 5.3450 5.6014 5.6014 5.8127 5.8127 6.3452 6.3452 6.8647 6.8647 7.0257 7.0257 7.4108 7.4108 7.7184 7.7184 8.2139 8.2139 10.9144 10.9144 12.2498 12.2498 12.5412 12.5412 13.3092 13.3092 13.5011 13.5011 k = 0.2671-0.7366-1.3298 ( 4662 PWs) bands (ev): -52.4059 -52.4059 -52.4007 -52.4007 -26.7700 -26.7700 -26.7454 -26.7454 -19.2695 -19.2695 -19.1445 -19.1445 -19.0698 -19.0698 -18.9654 -18.9654 -4.0962 -4.0962 -3.7403 -3.7403 -2.7368 -2.7368 -2.6724 -2.6724 4.1733 4.1733 4.5478 4.5478 5.0638 5.0638 5.3140 5.3140 5.6376 5.6376 5.8535 5.8535 6.2838 6.2838 6.8295 6.8295 7.0056 7.0056 7.3765 7.3765 7.7017 7.7017 8.2307 8.2307 10.8507 10.8507 12.2054 12.2054 12.5680 12.5680 13.3058 13.3058 13.4936 13.4936 k = 0.2729-0.7526-1.3587 ( 4662 PWs) bands (ev): -52.4056 -52.4056 -52.4009 -52.4009 -26.7698 -26.7698 -26.7467 -26.7467 -19.2719 -19.2719 -19.1426 -19.1426 -19.0729 -19.0729 -18.9673 -18.9673 -4.0766 -4.0766 -3.7396 -3.7396 -2.7179 -2.7179 -2.6572 -2.6572 4.1761 4.1761 4.5549 4.5549 5.0478 5.0478 5.2804 5.2804 5.6781 5.6781 5.8945 5.8945 6.2253 6.2253 6.7919 6.7919 6.9822 6.9822 7.3445 7.3445 7.6833 7.6833 8.2491 8.2491 10.7943 10.7943 12.1620 12.1620 12.5929 12.5929 13.3027 13.3027 13.4914 13.4914 k = 0.2787-0.7686-1.3876 ( 4656 PWs) bands (ev): -52.4052 -52.4052 -52.4010 -52.4010 -26.7695 -26.7695 -26.7478 -26.7478 -19.2740 -19.2740 -19.1404 -19.1404 -19.0761 -19.0761 -18.9690 -18.9690 -4.0588 -4.0588 -3.7394 -3.7394 -2.7004 -2.7004 -2.6437 -2.6437 4.1827 4.1827 4.5615 4.5615 5.0343 5.0343 5.2468 5.2468 5.7208 5.7208 5.9328 5.9328 6.1724 6.1724 6.7526 6.7526 6.9556 6.9556 7.3156 7.3156 7.6636 7.6636 8.2679 8.2679 10.7451 10.7451 12.1205 12.1205 12.6159 12.6159 13.2993 13.2993 13.4948 13.4948 k = 0.2845-0.7847-1.4165 ( 4654 PWs) bands (ev): -52.4049 -52.4049 -52.4012 -52.4012 -26.7692 -26.7692 -26.7489 -26.7489 -19.2759 -19.2759 -19.1380 -19.1380 -19.0793 -19.0793 -18.9705 -18.9705 -4.0426 -4.0426 -3.7395 -3.7395 -2.6844 -2.6844 -2.6320 -2.6320 4.1930 4.1930 4.5671 4.5671 5.0220 5.0220 5.2158 5.2158 5.7641 5.7641 5.9615 5.9615 6.1324 6.1324 6.7123 6.7123 6.9256 6.9256 7.2902 7.2902 7.6431 7.6431 8.2862 8.2862 10.7030 10.7030 12.0815 12.0815 12.6370 12.6370 13.2950 13.2950 13.5034 13.5034 k = 0.2903-0.8007-1.4454 ( 4652 PWs) bands (ev): -52.4047 -52.4047 -52.4014 -52.4014 -26.7689 -26.7689 -26.7498 -26.7498 -19.2776 -19.2776 -19.1354 -19.1354 -19.0826 -19.0826 -18.9720 -18.9720 -4.0283 -4.0283 -3.7399 -3.7399 -2.6698 -2.6698 -2.6220 -2.6220 4.2071 4.2071 4.5710 4.5710 5.0092 5.0092 5.1903 5.1903 5.8054 5.8054 5.9662 5.9662 6.1205 6.1205 6.6719 6.6719 6.8926 6.8926 7.2690 7.2690 7.6224 7.6224 8.3033 8.3033 10.6677 10.6677 12.0454 12.0454 12.6566 12.6566 13.2896 13.2896 13.5167 13.5167 k = 0.2962-0.8167-1.4743 ( 4658 PWs) bands (ev): -52.4044 -52.4044 -52.4016 -52.4016 -26.7687 -26.7687 -26.7507 -26.7507 -19.2792 -19.2792 -19.1326 -19.1326 -19.0860 -19.0860 -18.9732 -18.9732 -4.0158 -4.0158 -3.7404 -3.7404 -2.6567 -2.6567 -2.6138 -2.6138 4.2250 4.2250 4.5723 4.5723 4.9942 4.9942 5.1731 5.1731 5.8394 5.8394 5.9471 5.9471 6.1407 6.1407 6.6323 6.6323 6.8570 6.8570 7.2524 7.2524 7.6016 7.6016 8.3186 8.3186 10.6389 10.6389 12.0127 12.0127 12.6750 12.6750 13.2833 13.2833 13.5336 13.5336 k = 0.3020-0.8327-1.5032 ( 4664 PWs) bands (ev): -52.4041 -52.4041 -52.4017 -52.4017 -26.7685 -26.7685 -26.7515 -26.7515 -19.2805 -19.2805 -19.1296 -19.1296 -19.0894 -19.0894 -18.9743 -18.9743 -4.0051 -4.0051 -3.7410 -3.7410 -2.6453 -2.6453 -2.6073 -2.6073 4.2464 4.2464 4.5702 4.5702 4.9765 4.9765 5.1657 5.1657 5.8480 5.8480 5.9373 5.9373 6.1760 6.1760 6.5947 6.5947 6.8196 6.8196 7.2406 7.2406 7.5812 7.5812 8.3319 8.3319 10.6162 10.6162 11.9836 11.9836 12.6929 12.6929 13.2761 13.2761 13.5529 13.5529 k = 0.3078-0.8487-1.5321 ( 4666 PWs) bands (ev): -52.4039 -52.4039 -52.4019 -52.4019 -26.7683 -26.7683 -26.7522 -26.7522 -19.2816 -19.2816 -19.1264 -19.1264 -19.0929 -19.0929 -18.9753 -18.9753 -3.9963 -3.9963 -3.7416 -3.7416 -2.6355 -2.6355 -2.6024 -2.6024 4.2709 4.2709 4.5638 4.5638 4.9577 4.9577 5.1673 5.1673 5.8215 5.8215 5.9561 5.9561 6.2149 6.2149 6.5609 6.5609 6.7816 6.7816 7.2337 7.2337 7.5614 7.5614 8.3430 8.3430 10.5993 10.5993 11.9586 11.9586 12.7105 12.7105 13.2682 13.2682 13.5733 13.5733 k = 0.3136-0.8647-1.5611 ( 4660 PWs) bands (ev): -52.4036 -52.4036 -52.4021 -52.4021 -26.7681 -26.7681 -26.7526 -26.7526 -19.2824 -19.2824 -19.1230 -19.1230 -19.0964 -19.0964 -18.9760 -18.9760 -3.9894 -3.9894 -3.7421 -3.7421 -2.6274 -2.6274 -2.5991 -2.5991 4.2976 4.2976 4.5526 4.5526 4.9403 4.9403 5.1757 5.1757 5.7839 5.7839 5.9823 5.9823 6.2513 6.2513 6.5338 6.5338 6.7441 6.7441 7.2318 7.2318 7.5427 7.5427 8.3515 8.3515 10.5876 10.5876 11.9377 11.9377 12.7283 12.7283 13.2598 13.2598 13.5939 13.5939 k = 0.3194-0.8807-1.5900 ( 4652 PWs) bands (ev): -52.4034 -52.4034 -52.4023 -52.4023 -26.7679 -26.7679 -26.7529 -26.7529 -19.2830 -19.2830 -19.1196 -19.1196 -19.0999 -19.0999 -18.9765 -18.9765 -3.9844 -3.9844 -3.7425 -3.7425 -2.6211 -2.6211 -2.5971 -2.5971 4.3246 4.3246 4.5377 4.5377 4.9268 4.9268 5.1883 5.1883 5.7471 5.7471 6.0050 6.0050 6.2792 6.2792 6.5178 6.5178 6.7090 6.7090 7.2348 7.2348 7.5255 7.5255 8.3576 8.3576 10.5810 10.5810 11.9210 11.9210 12.7466 12.7466 13.2510 13.2510 13.6136 13.6136 k = 0.3252-0.8968-1.6189 ( 4644 PWs) bands (ev): -52.4031 -52.4031 -52.4025 -52.4025 -26.7678 -26.7678 -26.7531 -26.7531 -19.2833 -19.2833 -19.1163 -19.1163 -19.1032 -19.1032 -18.9768 -18.9768 -3.9811 -3.9811 -3.7428 -3.7428 -2.6167 -2.6167 -2.5961 -2.5961 4.3477 4.3477 4.5228 4.5228 4.9182 4.9182 5.2022 5.2022 5.7158 5.7158 6.0206 6.0206 6.2929 6.2929 6.5176 6.5176 6.6785 6.6785 7.2425 7.2425 7.5107 7.5107 8.3612 8.3612 10.5789 10.5789 11.9088 11.9088 12.7656 12.7656 13.2420 13.2420 13.6316 13.6316 k = 0.3310-0.9128-1.6478 ( 4628 PWs) bands (ev): -52.4029 -52.4029 -52.4027 -52.4027 -26.7677 -26.7677 -26.7531 -26.7531 -19.2834 -19.2834 -19.1137 -19.1137 -19.1057 -19.1057 -18.9769 -18.9769 -3.9796 -3.9796 -3.7429 -3.7429 -2.6144 -2.6144 -2.5959 -2.5959 4.3583 4.3583 4.5171 4.5171 4.9147 4.9147 5.2142 5.2142 5.6930 5.6930 6.0277 6.0277 6.2904 6.2904 6.5326 6.5326 6.6557 6.6557 7.2542 7.2542 7.4989 7.4989 8.3622 8.3622 10.5812 10.5812 11.9010 11.9010 12.7853 12.7853 13.2329 13.2329 13.6473 13.6473 k = 0.3368-0.9288-1.6767 ( 4636 PWs) bands (ev): -52.4029 -52.4029 -52.4027 -52.4027 -26.7677 -26.7677 -26.7532 -26.7532 -19.2835 -19.2835 -19.1141 -19.1141 -19.1053 -19.1053 -18.9769 -18.9769 -3.9798 -3.9798 -3.7429 -3.7429 -2.6144 -2.6144 -2.5962 -2.5962 4.3477 4.3477 4.5300 4.5300 4.9156 4.9156 5.2212 5.2212 5.6815 5.6815 6.0261 6.0261 6.2760 6.2760 6.5521 6.5521 6.6473 6.6473 7.2693 7.2693 7.4914 7.4914 8.3608 8.3608 10.5875 10.5875 11.8977 11.8977 12.8056 12.8056 13.2238 13.2238 13.6602 13.6602 k = 0.6632-0.8409-1.6249 ( 4636 PWs) bands (ev): -52.4029 -52.4029 -52.4027 -52.4027 -26.7677 -26.7677 -26.7532 -26.7532 -19.2835 -19.2835 -19.1141 -19.1141 -19.1053 -19.1053 -18.9769 -18.9769 -3.9798 -3.9798 -3.7429 -3.7429 -2.6144 -2.6144 -2.5962 -2.5962 4.3477 4.3477 4.5300 4.5300 4.9156 4.9156 5.2212 5.2212 5.6815 5.6815 6.0261 6.0261 6.2760 6.2760 6.5521 6.5521 6.6473 6.6473 7.2693 7.2693 7.4914 7.4914 8.3608 8.3608 10.5875 10.5875 11.8977 11.8977 12.8056 12.8056 13.2238 13.2238 13.6602 13.6602 k = 0.6574-0.8078-1.6249 ( 4644 PWs) bands (ev): -52.4032 -52.4032 -52.4025 -52.4025 -26.7678 -26.7678 -26.7531 -26.7531 -19.2833 -19.2833 -19.1170 -19.1170 -19.1024 -19.1024 -18.9768 -18.9768 -3.9815 -3.9815 -3.7428 -3.7428 -2.6166 -2.6166 -2.5969 -2.5969 4.3182 4.3182 4.5598 4.5598 4.9202 4.9202 5.2208 5.2208 5.6834 5.6834 6.0166 6.0166 6.2546 6.2546 6.5621 6.5621 6.6617 6.6617 7.2868 7.2868 7.4896 7.4896 8.3569 8.3569 10.5977 10.5977 11.8989 11.8989 12.8264 12.8264 13.2148 13.2148 13.6701 13.6701 k = 0.6515-0.7746-1.6249 ( 4656 PWs) bands (ev): -52.4034 -52.4034 -52.4023 -52.4023 -26.7680 -26.7680 -26.7529 -26.7529 -19.2829 -19.2829 -19.1207 -19.1207 -19.0989 -19.0989 -18.9764 -18.9764 -3.9846 -3.9846 -3.7426 -3.7426 -2.6206 -2.6206 -2.5980 -2.5980 4.2781 4.2781 4.5989 4.5989 4.9277 4.9277 5.2121 5.2121 5.6985 5.6985 6.0010 6.0010 6.2297 6.2297 6.5624 6.5624 6.6945 6.6945 7.3053 7.3053 7.4949 7.4949 8.3508 8.3508 10.6116 10.6116 11.9046 11.9046 12.8473 12.8473 13.2060 13.2060 13.6768 13.6768 k = 0.6457-0.7414-1.6249 ( 4658 PWs) bands (ev): -52.4036 -52.4036 -52.4022 -52.4022 -26.7681 -26.7681 -26.7526 -26.7526 -19.2823 -19.2823 -19.1246 -19.1246 -19.0951 -19.0951 -18.9758 -18.9758 -3.9889 -3.9889 -3.7425 -3.7425 -2.6261 -2.6261 -2.5998 -2.5998 4.2323 4.2323 4.6422 4.6422 4.9375 4.9375 5.1963 5.1963 5.7247 5.7247 5.9818 5.9818 6.2034 6.2034 6.5609 6.5609 6.7343 6.7343 7.3241 7.3241 7.5086 7.5086 8.3423 8.3423 10.6290 10.6290 11.9147 11.9147 12.8678 12.8678 13.1977 13.1977 13.6803 13.6803 k = 0.6399-0.7082-1.6249 ( 4654 PWs) bands (ev): -52.4038 -52.4038 -52.4020 -52.4020 -26.7682 -26.7682 -26.7522 -26.7522 -19.2815 -19.2815 -19.1285 -19.1285 -19.0912 -19.0912 -18.9751 -18.9751 -3.9943 -3.9943 -3.7424 -3.7424 -2.6327 -2.6327 -2.6024 -2.6024 4.1836 4.1836 4.6867 4.6867 4.9494 4.9494 5.1755 5.1755 5.7572 5.7572 5.9622 5.9622 6.1778 6.1778 6.5609 6.5609 6.7751 6.7751 7.3431 7.3431 7.5309 7.5309 8.3318 8.3318 10.6499 10.6499 11.9292 11.9292 12.8872 12.8872 13.1900 13.1900 13.6810 13.6810 k = 0.6341-0.6751-1.6249 ( 4658 PWs) bands (ev): -52.4040 -52.4040 -52.4018 -52.4018 -26.7683 -26.7683 -26.7518 -26.7518 -19.2806 -19.2806 -19.1325 -19.1325 -19.0873 -19.0873 -18.9742 -18.9742 -4.0007 -4.0007 -3.7425 -3.7425 -2.6402 -2.6402 -2.6057 -2.6057 4.1334 4.1334 4.7298 4.7298 4.9633 4.9633 5.1523 5.1523 5.7888 5.7888 5.9473 5.9473 6.1550 6.1550 6.5633 6.5633 6.8144 6.8144 7.3633 7.3633 7.5608 7.5608 8.3192 8.3192 10.6742 10.6742 11.9479 11.9479 12.9050 12.9050 13.1831 13.1831 13.6790 13.6790 k = 0.6282-0.6419-1.6249 ( 4662 PWs) bands (ev): -52.4042 -52.4042 -52.4017 -52.4017 -26.7685 -26.7685 -26.7513 -26.7513 -19.2794 -19.2794 -19.1366 -19.1366 -19.0835 -19.0835 -18.9731 -18.9731 -4.0079 -4.0079 -3.7427 -3.7427 -2.6484 -2.6484 -2.6098 -2.6098 4.0828 4.0828 4.7689 4.7689 4.9792 4.9792 5.1295 5.1295 5.8079 5.8079 5.9451 5.9451 6.1379 6.1379 6.5682 6.5682 6.8510 6.8510 7.3860 7.3860 7.5968 7.5968 8.3046 8.3046 10.7017 10.7017 11.9708 11.9708 12.9203 12.9203 13.1772 13.1772 13.6744 13.6744 k = 0.6224-0.6087-1.6249 ( 4668 PWs) bands (ev): -52.4044 -52.4044 -52.4015 -52.4015 -26.7687 -26.7687 -26.7509 -26.7509 -19.2782 -19.2782 -19.1407 -19.1407 -19.0797 -19.0797 -18.9719 -18.9719 -4.0158 -4.0158 -3.7431 -3.7431 -2.6571 -2.6571 -2.6146 -2.6146 4.0323 4.0323 4.8012 4.8012 4.9965 4.9965 5.1103 5.1103 5.8070 5.8070 5.9575 5.9575 6.1313 6.1313 6.5760 6.5760 6.8846 6.8846 7.4123 7.4123 7.6373 7.6373 8.2882 8.2882 10.7326 10.7326 11.9977 11.9977 12.9325 12.9325 13.1723 13.1723 13.6676 13.6676 k = 0.6166-0.5756-1.6249 ( 4662 PWs) bands (ev): -52.4046 -52.4046 -52.4014 -52.4014 -26.7688 -26.7688 -26.7503 -26.7503 -19.2768 -19.2768 -19.1447 -19.1447 -19.0760 -19.0760 -18.9705 -18.9705 -4.0242 -4.0242 -3.7437 -3.7437 -2.6663 -2.6663 -2.6199 -2.6199 3.9824 3.9824 4.8241 4.8241 5.0123 5.0123 5.0998 5.0998 5.7926 5.7926 5.9718 5.9718 6.1407 6.1407 6.5872 6.5872 6.9159 6.9159 7.4426 7.4426 7.6810 7.6810 8.2700 8.2700 10.7666 10.7666 12.0284 12.0284 12.9411 12.9411 13.1685 13.1685 13.6584 13.6584 k = 0.6107-0.5424-1.6249 ( 4668 PWs) bands (ev): -52.4048 -52.4048 -52.4013 -52.4013 -26.7689 -26.7689 -26.7497 -26.7497 -19.2752 -19.2752 -19.1488 -19.1488 -19.0725 -19.0725 -18.9690 -18.9690 -4.0330 -4.0330 -3.7445 -3.7445 -2.6757 -2.6757 -2.6258 -2.6258 3.9335 3.9335 4.8361 4.8361 5.0206 5.0206 5.1048 5.1048 5.7731 5.7731 5.9777 5.9777 6.1663 6.1663 6.6029 6.6029 6.9461 6.9461 7.4765 7.4765 7.7266 7.7266 8.2502 8.2502 10.8038 10.8038 12.0627 12.0627 12.9456 12.9456 13.1657 13.1657 13.6469 13.6469 k = 0.6049-0.5092-1.6249 ( 4666 PWs) bands (ev): -52.4050 -52.4050 -52.4012 -52.4012 -26.7690 -26.7690 -26.7492 -26.7492 -19.2736 -19.2736 -19.1528 -19.1528 -19.0690 -19.0690 -18.9674 -18.9674 -4.0421 -4.0421 -3.7455 -3.7455 -2.6853 -2.6853 -2.6320 -2.6320 3.8860 3.8860 4.8376 4.8376 5.0208 5.0208 5.1247 5.1247 5.7529 5.7529 5.9769 5.9769 6.2006 6.2006 6.6242 6.6242 6.9769 6.9769 7.5134 7.5134 7.7735 7.7735 8.2289 8.2289 10.8439 10.8439 12.1003 12.1003 12.9461 12.9461 13.1633 13.1633 13.6330 13.6330 k = 0.5991-0.4760-1.6249 ( 4666 PWs) bands (ev): -52.4052 -52.4052 -52.4011 -52.4011 -26.7691 -26.7691 -26.7486 -26.7486 -19.2718 -19.2718 -19.1569 -19.1569 -19.0657 -19.0657 -18.9657 -18.9657 -4.0514 -4.0514 -3.7468 -3.7468 -2.6950 -2.6950 -2.6386 -2.6386 3.8401 3.8401 4.8303 4.8303 5.0188 5.0188 5.1509 5.1509 5.7341 5.7341 5.9741 5.9741 6.2351 6.2351 6.6519 6.6519 7.0102 7.0102 7.5524 7.5524 7.8207 7.8207 8.2063 8.2063 10.8869 10.8869 12.1408 12.1408 12.9427 12.9427 13.1611 13.1611 13.6169 13.6169 k = 0.5933-0.4429-1.6249 ( 4662 PWs) bands (ev): -52.4054 -52.4054 -52.4010 -52.4010 -26.7692 -26.7692 -26.7480 -26.7480 -19.2699 -19.2699 -19.1609 -19.1609 -19.0625 -19.0625 -18.9639 -18.9639 -4.0607 -4.0607 -3.7482 -3.7482 -2.7046 -2.7046 -2.6453 -2.6453 3.7959 3.7959 4.8168 4.8168 5.0174 5.0174 5.1774 5.1774 5.7177 5.7177 5.9723 5.9723 6.2647 6.2647 6.6860 6.6860 7.0478 7.0478 7.5923 7.5923 7.8678 7.8678 8.1824 8.1824 10.9326 10.9326 12.1840 12.1840 12.9355 12.9355 13.1586 13.1586 13.5990 13.5990 k = 0.5874-0.4097-1.6249 ( 4662 PWs) bands (ev): -52.4055 -52.4055 -52.4009 -52.4009 -26.7692 -26.7692 -26.7474 -26.7474 -19.2679 -19.2679 -19.1648 -19.1648 -19.0595 -19.0595 -18.9621 -18.9621 -4.0700 -4.0700 -3.7498 -3.7498 -2.7140 -2.7140 -2.6521 -2.6521 3.7538 3.7538 4.7996 4.7996 5.0166 5.0166 5.2010 5.2010 5.7045 5.7045 5.9729 5.9729 6.2874 6.2874 6.7258 6.7258 7.0915 7.0915 7.6323 7.6323 7.9139 7.9139 8.1575 8.1575 10.9807 10.9807 12.2293 12.2293 12.9251 12.9251 13.1555 13.1555 13.5800 13.5800 k = 0.5816-0.3765-1.6249 ( 4664 PWs) bands (ev): -52.4057 -52.4057 -52.4008 -52.4008 -26.7693 -26.7693 -26.7469 -26.7469 -19.2658 -19.2658 -19.1687 -19.1687 -19.0568 -19.0568 -18.9602 -18.9602 -4.0792 -4.0792 -3.7515 -3.7515 -2.7232 -2.7232 -2.6589 -2.6589 3.7138 3.7138 4.7805 4.7805 5.0162 5.0162 5.2201 5.2201 5.6946 5.6946 5.9766 5.9766 6.3032 6.3032 6.7692 6.7692 7.1420 7.1420 7.6717 7.6717 7.9584 7.9584 8.1320 8.1320 11.0311 11.0311 12.2762 12.2762 12.9114 12.9114 13.1518 13.1518 13.5601 13.5601 k = 0.5758-0.3434-1.6249 ( 4660 PWs) bands (ev): -52.4058 -52.4058 -52.4007 -52.4007 -26.7694 -26.7694 -26.7463 -26.7463 -19.2637 -19.2637 -19.1725 -19.1725 -19.0541 -19.0541 -18.9583 -18.9583 -4.0882 -4.0882 -3.7533 -3.7533 -2.7320 -2.7320 -2.6657 -2.6657 3.6760 3.6760 4.7607 4.7607 5.0155 5.0155 5.2343 5.2343 5.6878 5.6878 5.9831 5.9831 6.3130 6.3130 6.8148 6.8148 7.1997 7.1997 7.7098 7.7098 7.9997 7.9997 8.1074 8.1074 11.0832 11.0832 12.3241 12.3241 12.8948 12.8948 13.1474 13.1474 13.5390 13.5390 k = 0.5699-0.3102-1.6249 ( 4660 PWs) bands (ev): -52.4060 -52.4060 -52.4007 -52.4007 -26.7694 -26.7694 -26.7458 -26.7458 -19.2615 -19.2615 -19.1763 -19.1763 -19.0517 -19.0517 -18.9564 -18.9564 -4.0969 -4.0969 -3.7552 -3.7552 -2.7405 -2.7405 -2.6723 -2.6723 3.6407 3.6407 4.7411 4.7411 5.0144 5.0144 5.2437 5.2437 5.6837 5.6837 5.9922 5.9922 6.3181 6.3181 6.8613 6.8613 7.2634 7.2634 7.7460 7.7460 8.0310 8.0310 8.0900 8.0900 11.1369 11.1369 12.3723 12.3723 12.8753 12.8753 13.1424 13.1424 13.5158 13.5158 k = 0.5641-0.2770-1.6249 ( 4664 PWs) bands (ev): -52.4061 -52.4061 -52.4006 -52.4006 -26.7694 -26.7694 -26.7454 -26.7454 -19.2593 -19.2593 -19.1800 -19.1800 -19.0494 -19.0494 -18.9546 -18.9546 -4.1052 -4.1052 -3.7572 -3.7572 -2.7486 -2.7486 -2.6786 -2.6786 3.6079 3.6079 4.7221 4.7221 5.0127 5.0127 5.2490 5.2490 5.6819 5.6819 6.0032 6.0032 6.3198 6.3198 6.9084 6.9084 7.3317 7.3317 7.7798 7.7798 8.0299 8.0299 8.1022 8.1022 11.1917 11.1917 12.4196 12.4196 12.8529 12.8529 13.1369 13.1369 13.4888 13.4888 k = 0.5583-0.2439-1.6249 ( 4672 PWs) bands (ev): -52.4062 -52.4062 -52.4005 -52.4005 -26.7695 -26.7695 -26.7450 -26.7450 -19.2570 -19.2570 -19.1836 -19.1836 -19.0474 -19.0474 -18.9529 -18.9529 -4.1130 -4.1130 -3.7591 -3.7591 -2.7561 -2.7561 -2.6846 -2.6846 3.5777 3.5777 4.7042 4.7042 5.0104 5.0104 5.2510 5.2510 5.6818 5.6818 6.0154 6.0154 6.3189 6.3189 6.9560 6.9560 7.4023 7.4023 7.8107 7.8107 8.0074 8.0074 8.1333 8.1333 11.2471 11.2471 12.4649 12.4649 12.8279 12.8279 13.1313 13.1313 13.4568 13.4568 k = 0.5525-0.2107-1.6249 ( 4672 PWs) bands (ev): -52.4064 -52.4064 -52.4005 -52.4005 -26.7695 -26.7695 -26.7446 -26.7446 -19.2547 -19.2547 -19.1871 -19.1871 -19.0455 -19.0455 -18.9513 -18.9513 -4.1203 -4.1203 -3.7610 -3.7610 -2.7630 -2.7630 -2.6903 -2.6903 3.5501 3.5501 4.6876 4.6876 5.0077 5.0077 5.2507 5.2507 5.6827 5.6827 6.0280 6.0280 6.3163 6.3163 7.0041 7.0041 7.4726 7.4726 7.8380 7.8380 7.9818 7.9818 8.1655 8.1655 11.3025 11.3025 12.5061 12.5061 12.8012 12.8012 13.1256 13.1256 13.4203 13.4203 k = 0.5466-0.1775-1.6249 ( 4678 PWs) bands (ev): -52.4065 -52.4065 -52.4005 -52.4005 -26.7696 -26.7696 -26.7442 -26.7442 -19.2524 -19.2524 -19.1904 -19.1904 -19.0438 -19.0438 -18.9498 -18.9498 -4.1270 -4.1270 -3.7628 -3.7628 -2.7694 -2.7694 -2.6955 -2.6955 3.5253 3.5253 4.6724 4.6724 5.0047 5.0047 5.2489 5.2489 5.6844 5.6844 6.0404 6.0404 6.3126 6.3126 7.0528 7.0528 7.5399 7.5399 7.8602 7.8602 7.9587 7.9587 8.1954 8.1954 11.3574 11.3574 12.5399 12.5399 12.7752 12.7752 13.1203 13.1203 13.3818 13.3818 k = 0.5408-0.1443-1.6249 ( 4672 PWs) bands (ev): -52.4065 -52.4065 -52.4004 -52.4004 -26.7695 -26.7695 -26.7439 -26.7439 -19.2501 -19.2501 -19.1936 -19.1936 -19.0423 -19.0423 -18.9483 -18.9483 -4.1331 -4.1331 -3.7644 -3.7644 -2.7751 -2.7751 -2.7002 -2.7002 3.5033 3.5033 4.6588 4.6588 5.0015 5.0015 5.2462 5.2462 5.6866 5.6866 6.0522 6.0522 6.3081 6.3081 7.1017 7.1017 7.6004 7.6004 7.8743 7.8743 7.9436 7.9436 8.2220 8.2220 11.4110 11.4110 12.5605 12.5605 12.7553 12.7553 13.1156 13.1156 13.3443 13.3443 k = 0.5350-0.1112-1.6249 ( 4676 PWs) bands (ev): -52.4066 -52.4066 -52.4004 -52.4004 -26.7695 -26.7695 -26.7436 -26.7436 -19.2479 -19.2479 -19.1966 -19.1966 -19.0410 -19.0410 -18.9471 -18.9471 -4.1385 -4.1385 -3.7660 -3.7660 -2.7801 -2.7801 -2.7044 -2.7044 3.4841 3.4841 4.6469 4.6469 4.9983 4.9983 5.2431 5.2431 5.6888 5.6888 6.0629 6.0629 6.3034 6.3034 7.1503 7.1503 7.6488 7.6488 7.8782 7.8782 7.9427 7.9427 8.2447 8.2447 11.4625 11.4625 12.5611 12.5611 12.7485 12.7485 13.1120 13.1120 13.3102 13.3102 k = 0.5291-0.0780-1.6249 ( 4674 PWs) bands (ev): -52.4067 -52.4067 -52.4003 -52.4003 -26.7695 -26.7695 -26.7434 -26.7434 -19.2458 -19.2458 -19.1994 -19.1994 -19.0399 -19.0399 -18.9460 -18.9460 -4.1431 -4.1431 -3.7673 -3.7673 -2.7844 -2.7844 -2.7080 -2.7080 3.4679 3.4679 4.6367 4.6367 4.9952 4.9952 5.2400 5.2400 5.6911 5.6911 6.0723 6.0723 6.2988 6.2988 7.1979 7.1979 7.6779 7.6779 7.8817 7.8817 7.9520 7.9520 8.2635 8.2635 11.5108 11.5108 12.5417 12.5417 12.7561 12.7561 13.1097 13.1097 13.2808 13.2808 k = 0.5233-0.0448-1.6249 ( 4672 PWs) bands (ev): -52.4068 -52.4068 -52.4003 -52.4003 -26.7695 -26.7695 -26.7432 -26.7432 -19.2439 -19.2439 -19.2019 -19.2019 -19.0390 -19.0390 -18.9451 -18.9451 -4.1469 -4.1469 -3.7685 -3.7685 -2.7879 -2.7879 -2.7110 -2.7110 3.4545 3.4545 4.6283 4.6283 4.9925 4.9925 5.2371 5.2371 5.6931 5.6931 6.0802 6.0802 6.2945 6.2945 7.2433 7.2433 7.6843 7.6843 7.8949 7.8949 7.9639 7.9639 8.2783 8.2783 11.5547 11.5547 12.5111 12.5111 12.7709 12.7709 13.1088 13.1088 13.2564 13.2564 k = 0.5175-0.0117-1.6249 ( 4666 PWs) bands (ev): -52.4068 -52.4068 -52.4003 -52.4003 -26.7695 -26.7695 -26.7429 -26.7429 -19.2422 -19.2422 -19.2040 -19.2040 -19.0383 -19.0383 -18.9443 -18.9443 -4.1499 -4.1499 -3.7694 -3.7694 -2.7907 -2.7907 -2.7133 -2.7133 3.4441 3.4441 4.6217 4.6217 4.9902 4.9902 5.2348 5.2348 5.6948 5.6948 6.0865 6.0865 6.2909 6.2909 7.2847 7.2847 7.6740 7.6740 7.9147 7.9147 7.9755 7.9755 8.2891 8.2891 11.5923 11.5923 12.4785 12.4785 12.7865 12.7865 13.1093 13.1093 13.2371 13.2371 k = 0.5117 0.0215-1.6249 ( 4670 PWs) bands (ev): -52.4068 -52.4068 -52.4003 -52.4003 -26.7695 -26.7695 -26.7428 -26.7428 -19.2409 -19.2409 -19.2057 -19.2057 -19.0378 -19.0378 -18.9438 -18.9438 -4.1521 -4.1521 -3.7700 -3.7700 -2.7927 -2.7927 -2.7150 -2.7150 3.4366 3.4366 4.6170 4.6170 4.9885 4.9885 5.2330 5.2330 5.6961 5.6961 6.0911 6.0911 6.2882 6.2882 7.3194 7.3194 7.6573 7.6573 7.9328 7.9328 7.9857 7.9857 8.2964 8.2964 11.6216 11.6216 12.4503 12.4503 12.7992 12.7992 13.1107 13.1107 13.2228 13.2228 k = 0.5058 0.0547-1.6249 ( 4668 PWs) bands (ev): -52.4068 -52.4068 -52.4003 -52.4003 -26.7695 -26.7695 -26.7427 -26.7427 -19.2400 -19.2400 -19.2067 -19.2067 -19.0375 -19.0375 -18.9434 -18.9434 -4.1534 -4.1534 -3.7704 -3.7704 -2.7939 -2.7939 -2.7161 -2.7161 3.4322 3.4322 4.6142 4.6142 4.9875 4.9875 5.2319 5.2319 5.6969 5.6969 6.0939 6.0939 6.2864 6.2864 7.3434 7.3434 7.6427 7.6427 7.9444 7.9444 7.9931 7.9931 8.3005 8.3005 11.6403 11.6403 12.4314 12.4314 12.8074 12.8074 13.1121 13.1121 13.2139 13.2139 k = 0.5000 0.0879-1.6249 ( 4674 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7695 -26.7695 -26.7427 -26.7427 -19.2397 -19.2397 -19.2071 -19.2071 -19.0374 -19.0374 -18.9433 -18.9433 -4.1539 -4.1539 -3.7706 -3.7706 -2.7943 -2.7943 -2.7164 -2.7164 3.4307 3.4307 4.6133 4.6133 4.9871 4.9871 5.2315 5.2315 5.6972 5.6972 6.0948 6.0948 6.2858 6.2858 7.3522 7.3522 7.6369 7.6369 7.9482 7.9482 7.9959 7.9959 8.3018 8.3018 11.6468 11.6468 12.4247 12.4247 12.8102 12.8102 13.1127 13.1127 13.2109 13.2109 k = 0.5000 0.0879-1.6249 ( 4674 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7695 -26.7695 -26.7427 -26.7427 -19.2397 -19.2397 -19.2071 -19.2071 -19.0374 -19.0374 -18.9433 -18.9433 -4.1539 -4.1539 -3.7706 -3.7706 -2.7943 -2.7943 -2.7164 -2.7164 3.4307 3.4307 4.6133 4.6133 4.9871 4.9871 5.2315 5.2315 5.6972 5.6972 6.0948 6.0948 6.2858 6.2858 7.3522 7.3522 7.6369 7.6369 7.9482 7.9482 7.9959 7.9959 8.3018 8.3018 11.6468 11.6468 12.4247 12.4247 12.8102 12.8102 13.1127 13.1127 13.2109 13.2109 k = 0.5272 0.0926-1.6163 ( 4675 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7695 -26.7695 -26.7427 -26.7427 -19.2397 -19.2397 -19.2071 -19.2071 -19.0375 -19.0375 -18.9434 -18.9434 -4.1539 -4.1539 -3.7706 -3.7706 -2.7944 -2.7944 -2.7164 -2.7164 3.4312 3.4312 4.6131 4.6131 4.9841 4.9841 5.2333 5.2333 5.6972 5.6972 6.0947 6.0947 6.2880 6.2880 7.3518 7.3518 7.6368 7.6368 7.9469 7.9469 7.9966 7.9966 8.3019 8.3019 11.6466 11.6466 12.4251 12.4251 12.8106 12.8106 13.0941 13.0941 13.2304 13.2304 k = 0.5544 0.0974-1.6077 ( 4666 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7695 -26.7695 -26.7427 -26.7427 -19.2397 -19.2397 -19.2070 -19.2070 -19.0374 -19.0374 -18.9433 -18.9433 -4.1540 -4.1540 -3.7706 -3.7706 -2.7948 -2.7948 -2.7163 -2.7163 3.4328 3.4328 4.6126 4.6126 4.9755 4.9755 5.2382 5.2382 5.6974 5.6974 6.0946 6.0946 6.2941 6.2941 7.3506 7.3506 7.6362 7.6362 7.9431 7.9431 7.9986 7.9986 8.3020 8.3020 11.6460 11.6460 12.4266 12.4266 12.8119 12.8119 13.0580 13.0580 13.2692 13.2692 k = 0.5816 0.1022-1.5990 ( 4673 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7695 -26.7695 -26.7428 -26.7428 -19.2397 -19.2397 -19.2070 -19.2070 -19.0374 -19.0374 -18.9434 -18.9434 -4.1542 -4.1542 -3.7706 -3.7706 -2.7953 -2.7953 -2.7161 -2.7161 3.4354 3.4354 4.6117 4.6117 4.9627 4.9627 5.2453 5.2453 5.6977 5.6977 6.0946 6.0946 6.3036 6.3036 7.3489 7.3489 7.6352 7.6352 7.9376 7.9376 8.0010 8.0010 8.3020 8.3020 11.6450 11.6450 12.4289 12.4289 12.8139 12.8139 13.0194 13.0194 13.3119 13.3119 k = 0.6088 0.1070-1.5904 ( 4675 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7695 -26.7695 -26.7428 -26.7428 -19.2397 -19.2397 -19.2070 -19.2070 -19.0374 -19.0374 -18.9434 -18.9434 -4.1544 -4.1544 -3.7706 -3.7706 -2.7961 -2.7961 -2.7160 -2.7160 3.4390 3.4390 4.6104 4.6104 4.9470 4.9470 5.2532 5.2532 5.6982 5.6982 6.0954 6.0954 6.3157 6.3157 7.3471 7.3471 7.6338 7.6338 7.9312 7.9312 8.0035 8.0035 8.3018 8.3018 11.6436 11.6436 12.4320 12.4320 12.8164 12.8164 12.9828 12.9828 13.3539 13.3539 k = 0.6360 0.1118-1.5818 ( 4677 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7695 -26.7695 -26.7427 -26.7427 -19.2397 -19.2397 -19.2069 -19.2069 -19.0374 -19.0374 -18.9434 -18.9434 -4.1548 -4.1548 -3.7706 -3.7706 -2.7970 -2.7970 -2.7158 -2.7158 3.4434 3.4434 4.6084 4.6084 4.9300 4.9300 5.2609 5.2609 5.6989 5.6989 6.0972 6.0972 6.3294 6.3294 7.3456 7.3456 7.6320 7.6320 7.9242 7.9242 8.0056 8.0056 8.3011 8.3011 11.6420 11.6420 12.4359 12.4359 12.8188 12.8188 12.9505 12.9505 13.3928 13.3928 k = 0.6632 0.1165-1.5731 ( 4685 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7696 -26.7696 -26.7427 -26.7427 -19.2398 -19.2398 -19.2068 -19.2068 -19.0374 -19.0374 -18.9434 -18.9434 -4.1552 -4.1552 -3.7706 -3.7706 -2.7981 -2.7981 -2.7156 -2.7156 3.4485 3.4485 4.6056 4.6056 4.9129 4.9129 5.2678 5.2678 5.6997 5.6997 6.1002 6.1002 6.3438 6.3438 7.3451 7.3451 7.6298 7.6298 7.9169 7.9169 8.0072 8.0072 8.2997 8.2997 11.6401 11.6401 12.4403 12.4403 12.8194 12.8194 12.9251 12.9251 13.4266 13.4266 k = 0.6632 0.1165-1.5731 ( 4685 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7696 -26.7696 -26.7427 -26.7427 -19.2398 -19.2398 -19.2068 -19.2068 -19.0374 -19.0374 -18.9434 -18.9434 -4.1552 -4.1552 -3.7706 -3.7706 -2.7981 -2.7981 -2.7156 -2.7156 3.4485 3.4485 4.6056 4.6056 4.9129 4.9129 5.2678 5.2678 5.6997 5.6997 6.1002 6.1002 6.3438 6.3438 7.3451 7.3451 7.6298 7.6298 7.9169 7.9169 8.0072 8.0072 8.2997 8.2997 11.6401 11.6401 12.4403 12.4403 12.8194 12.8194 12.9251 12.9251 13.4266 13.4266 k = 0.6599 0.1159-1.5400 ( 4681 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7696 -26.7696 -26.7424 -26.7424 -19.2397 -19.2397 -19.2060 -19.2060 -19.0373 -19.0373 -18.9431 -18.9431 -4.1596 -4.1596 -3.7706 -3.7706 -2.8042 -2.8042 -2.7171 -2.7171 3.4585 3.4585 4.6118 4.6118 4.9034 4.9034 5.2676 5.2676 5.6977 5.6977 6.1039 6.1039 6.3559 6.3559 7.3269 7.3269 7.6239 7.6239 7.9203 7.9203 8.0030 8.0030 8.3158 8.3158 11.6559 11.6559 12.4373 12.4373 12.8125 12.8125 12.9714 12.9714 13.3961 13.3961 k = 0.6565 0.1154-1.5068 ( 4683 PWs) bands (ev): -52.4070 -52.4070 -52.4002 -52.4002 -26.7697 -26.7697 -26.7420 -26.7420 -19.2395 -19.2395 -19.2048 -19.2048 -19.0371 -19.0371 -18.9428 -18.9428 -4.1667 -4.1667 -3.7706 -3.7706 -2.8131 -2.8131 -2.7204 -2.7204 3.4730 3.4730 4.6235 4.6235 4.8944 4.8944 5.2662 5.2662 5.6938 5.6938 6.0923 6.0923 6.3857 6.3857 7.3069 7.3069 7.6127 7.6127 7.9224 7.9224 8.0032 8.0032 8.3331 8.3331 11.6789 11.6789 12.4338 12.4338 12.8075 12.8075 13.0178 13.0178 13.3680 13.3680 k = 0.6532 0.1148-1.4737 ( 4680 PWs) bands (ev): -52.4072 -52.4072 -52.4002 -52.4002 -26.7698 -26.7698 -26.7413 -26.7413 -19.2393 -19.2393 -19.2030 -19.2030 -19.0368 -19.0368 -18.9423 -18.9423 -4.1766 -4.1766 -3.7709 -3.7709 -2.8250 -2.8250 -2.7255 -2.7255 3.4916 3.4916 4.6406 4.6406 4.8864 4.8864 5.2640 5.2640 5.6882 5.6882 6.0712 6.0712 6.4272 6.4272 7.2850 7.2850 7.5960 7.5960 7.9241 7.9241 8.0075 8.0075 8.3517 8.3517 11.7086 11.7086 12.4299 12.4299 12.8042 12.8042 13.0615 13.0615 13.3451 13.3451 k = 0.6499 0.1142-1.4405 ( 4674 PWs) bands (ev): -52.4073 -52.4073 -52.4001 -52.4001 -26.7699 -26.7699 -26.7405 -26.7405 -19.2390 -19.2390 -19.2008 -19.2008 -19.0365 -19.0365 -18.9417 -18.9417 -4.1891 -4.1891 -3.7713 -3.7713 -2.8395 -2.8395 -2.7323 -2.7323 3.5141 3.5141 4.6623 4.6623 4.8796 4.8796 5.2613 5.2613 5.6809 5.6809 6.0458 6.0458 6.4752 6.4752 7.2613 7.2613 7.5737 7.5737 7.9266 7.9266 8.0149 8.0149 8.3712 8.3712 11.7447 11.7447 12.4256 12.4256 12.8028 12.8028 13.0981 13.0981 13.3325 13.3325 k = 0.6465 0.1136-1.4073 ( 4677 PWs) bands (ev): -52.4075 -52.4075 -52.4001 -52.4001 -26.7701 -26.7701 -26.7395 -26.7395 -19.2386 -19.2386 -19.1981 -19.1981 -19.0360 -19.0360 -18.9410 -18.9410 -4.2041 -4.2041 -3.7722 -3.7722 -2.8565 -2.8565 -2.7408 -2.7408 3.5400 3.5400 4.6877 4.6877 4.8750 4.8750 5.2588 5.2588 5.6722 5.6722 6.0188 6.0188 6.5268 6.5268 7.2359 7.2359 7.5459 7.5459 7.9308 7.9308 8.0248 8.0248 8.3916 8.3916 11.7868 11.7868 12.4207 12.4207 12.8028 12.8028 13.1207 13.1207 13.3372 13.3372 k = 0.6432 0.1130-1.3742 ( 4668 PWs) bands (ev): -52.4077 -52.4077 -52.4000 -52.4000 -26.7702 -26.7702 -26.7384 -26.7384 -19.2380 -19.2380 -19.1951 -19.1951 -19.0355 -19.0355 -18.9401 -18.9401 -4.2214 -4.2214 -3.7736 -3.7736 -2.8759 -2.8759 -2.7509 -2.7509 3.5690 3.5690 4.7147 4.7147 4.8745 4.8745 5.2568 5.2568 5.6620 5.6620 5.9919 5.9919 6.5803 6.5803 7.2090 7.2090 7.5130 7.5130 7.9372 7.9372 8.0366 8.0366 8.4127 8.4127 11.8342 11.8342 12.4152 12.4152 12.8040 12.8040 13.1262 13.1262 13.3626 13.3626 k = 0.6399 0.1124-1.3410 ( 4674 PWs) bands (ev): -52.4080 -52.4080 -52.3999 -52.3999 -26.7703 -26.7703 -26.7372 -26.7372 -19.2374 -19.2374 -19.1918 -19.1918 -19.0348 -19.0348 -18.9392 -18.9392 -4.2409 -4.2409 -3.7756 -3.7756 -2.8974 -2.8974 -2.7625 -2.7625 3.6005 3.6005 4.7396 4.7396 4.8815 4.8815 5.2561 5.2561 5.6506 5.6506 5.9663 5.9663 6.6345 6.6345 7.1806 7.1806 7.4755 7.4755 7.9461 7.9461 8.0499 8.0499 8.4345 8.4345 11.8863 11.8863 12.4091 12.4091 12.8058 12.8058 13.1198 13.1198 13.4035 13.4035 k = 0.6366 0.1119-1.3079 ( 4671 PWs) bands (ev): -52.4082 -52.4082 -52.3998 -52.3998 -26.7704 -26.7704 -26.7359 -26.7359 -19.2367 -19.2367 -19.1880 -19.1880 -19.0340 -19.0340 -18.9381 -18.9381 -4.2625 -4.2625 -3.7783 -3.7783 -2.9207 -2.9207 -2.7756 -2.7756 3.6339 3.6339 4.7577 4.7577 4.9005 4.9005 5.2571 5.2571 5.6381 5.6381 5.9425 5.9425 6.6885 6.6885 7.1512 7.1512 7.4340 7.4340 7.9572 7.9572 8.0645 8.0645 8.4568 8.4568 11.9420 11.9420 12.4025 12.4025 12.8076 12.8076 13.1087 13.1087 13.4517 13.4517 k = 0.6332 0.1113-1.2747 ( 4667 PWs) bands (ev): -52.4085 -52.4085 -52.3998 -52.3998 -26.7706 -26.7706 -26.7344 -26.7344 -19.2358 -19.2358 -19.1840 -19.1840 -19.0331 -19.0331 -18.9369 -18.9369 -4.2861 -4.2861 -3.7820 -3.7820 -2.9457 -2.9457 -2.7900 -2.7900 3.6685 3.6685 4.7665 4.7665 4.9335 4.9335 5.2603 5.2603 5.6248 5.6248 5.9213 5.9213 6.7414 6.7414 7.1213 7.1213 7.3891 7.3891 7.9706 7.9706 8.0803 8.0803 8.4795 8.4795 12.0002 12.0002 12.3957 12.3957 12.8091 12.8091 13.0982 13.0982 13.5001 13.5001 k = 0.6299 0.1107-1.2415 ( 4664 PWs) bands (ev): -52.4088 -52.4088 -52.3997 -52.3997 -26.7706 -26.7706 -26.7328 -26.7328 -19.2348 -19.2348 -19.1797 -19.1797 -19.0320 -19.0320 -18.9357 -18.9357 -4.3115 -4.3115 -3.7867 -3.7867 -2.9720 -2.9720 -2.8057 -2.8057 3.7037 3.7037 4.7685 4.7685 4.9777 4.9777 5.2661 5.2661 5.6110 5.6110 5.9034 5.9034 6.7917 6.7917 7.0920 7.0920 7.3416 7.3416 7.9861 7.9861 8.0972 8.0972 8.5028 8.5028 12.0589 12.0589 12.3890 12.3890 12.8100 12.8100 13.0909 13.0909 13.5416 13.5416 k = 0.6266 0.1101-1.2084 ( 4666 PWs) bands (ev): -52.4091 -52.4091 -52.3996 -52.3996 -26.7708 -26.7708 -26.7311 -26.7311 -19.2338 -19.2338 -19.1751 -19.1751 -19.0307 -19.0307 -18.9344 -18.9344 -4.3385 -4.3385 -3.7925 -3.7925 -2.9994 -2.9994 -2.8224 -2.8224 3.7388 3.7388 4.7667 4.7667 5.0295 5.0295 5.2746 5.2746 5.5970 5.5970 5.8897 5.8897 6.8366 6.8366 7.0653 7.0653 7.2922 7.2922 8.0034 8.0034 8.1154 8.1154 8.5265 8.5265 12.1157 12.1157 12.3833 12.3833 12.8110 12.8110 13.0884 13.0884 13.5703 13.5703 k = 0.6232 0.1095-1.1752 ( 4668 PWs) bands (ev): -52.4094 -52.4094 -52.3995 -52.3995 -26.7708 -26.7708 -26.7294 -26.7294 -19.2326 -19.2326 -19.1703 -19.1703 -19.0293 -19.0293 -18.9331 -18.9331 -4.3671 -4.3671 -3.7995 -3.7995 -3.0277 -3.0277 -2.8401 -2.8401 3.7731 3.7731 4.7635 4.7635 5.0858 5.0858 5.2858 5.2858 5.5834 5.5834 5.8811 5.8811 6.8703 6.8703 7.0460 7.0460 7.2427 7.2427 8.0225 8.0225 8.1347 8.1347 8.5508 8.5508 12.1671 12.1671 12.3795 12.3795 12.8137 12.8137 13.0911 13.0911 13.5853 13.5853 k = 0.6199 0.1089-1.1420 ( 4669 PWs) bands (ev): -52.4098 -52.4098 -52.3995 -52.3995 -26.7707 -26.7707 -26.7277 -26.7277 -19.2313 -19.2313 -19.1653 -19.1653 -19.0276 -19.0276 -18.9317 -18.9317 -4.3971 -4.3971 -3.8079 -3.8079 -3.0565 -3.0565 -2.8587 -2.8587 3.8059 3.8059 4.7599 4.7599 5.1442 5.1442 5.2995 5.2995 5.5707 5.5707 5.8791 5.8791 6.8833 6.8833 7.0400 7.0400 7.1968 7.1968 8.0430 8.0430 8.1552 8.1552 8.5757 8.5757 12.2085 12.2085 12.3789 12.3789 12.8210 12.8210 13.0989 13.0989 13.5906 13.5906 k = 0.6166 0.1083-1.1089 ( 4664 PWs) bands (ev): -52.4101 -52.4101 -52.3994 -52.3994 -26.7706 -26.7706 -26.7259 -26.7259 -19.2300 -19.2300 -19.1601 -19.1601 -19.0257 -19.0257 -18.9303 -18.9303 -4.4283 -4.4283 -3.8176 -3.8176 -3.0857 -3.0857 -2.8779 -2.8779 3.8369 3.8369 4.7569 4.7569 5.2011 5.2011 5.3163 5.3163 5.5597 5.5597 5.8853 5.8853 6.8728 6.8728 7.0392 7.0392 7.1660 7.1660 8.0649 8.0649 8.1771 8.1771 8.6013 8.6013 12.2360 12.2360 12.3819 12.3819 12.8357 12.8357 13.1113 13.1113 13.5902 13.5902 k = 0.6132 0.1078-1.0757 ( 4656 PWs) bands (ev): -52.4105 -52.4105 -52.3993 -52.3993 -26.7705 -26.7705 -26.7240 -26.7240 -19.2286 -19.2286 -19.1546 -19.1546 -19.0236 -19.0236 -18.9288 -18.9288 -4.4608 -4.4608 -3.8289 -3.8289 -3.1149 -3.1149 -2.8978 -2.8978 3.8655 3.8655 4.7550 4.7550 5.2497 5.2497 5.3393 5.3393 5.5520 5.5520 5.9013 5.9013 6.8475 6.8475 7.0168 7.0168 7.1689 7.1689 8.0879 8.0879 8.2006 8.2006 8.6276 8.6276 12.2493 12.2493 12.3856 12.3856 12.8597 12.8597 13.1284 13.1284 13.5867 13.5867 k = 0.6099 0.1072-1.0426 ( 4657 PWs) bands (ev): -52.4108 -52.4108 -52.3993 -52.3993 -26.7704 -26.7704 -26.7221 -26.7221 -19.2272 -19.2272 -19.1491 -19.1491 -19.0212 -19.0212 -18.9274 -18.9274 -4.4942 -4.4942 -3.8416 -3.8416 -3.1440 -3.1440 -2.9181 -2.9181 3.8915 3.8915 4.7547 4.7547 5.2802 5.2802 5.3730 5.3730 5.5508 5.5508 5.9285 5.9285 6.8155 6.8155 6.9724 6.9724 7.1983 7.1983 8.1118 8.1118 8.2257 8.2257 8.6550 8.6550 12.2521 12.2521 12.3857 12.3857 12.8920 12.8920 13.1502 13.1502 13.5817 13.5817 k = 0.6066 0.1066-1.0094 ( 4657 PWs) bands (ev): -52.4112 -52.4112 -52.3993 -52.3993 -26.7702 -26.7702 -26.7202 -26.7202 -19.2258 -19.2258 -19.1434 -19.1434 -19.0186 -19.0186 -18.9259 -18.9259 -4.5286 -4.5286 -3.8559 -3.8559 -3.1727 -3.1727 -2.9387 -2.9387 3.9148 3.9148 4.7561 4.7561 5.2928 5.2928 5.4085 5.4085 5.5634 5.5634 5.9674 5.9674 6.7806 6.7806 6.9200 6.9200 7.2373 7.2373 8.1365 8.1365 8.2528 8.2528 8.6834 8.6834 12.2486 12.2486 12.3792 12.3792 12.9283 12.9283 13.1775 13.1775 13.5763 13.5763 k = 0.6032 0.1060-0.9762 ( 4655 PWs) bands (ev): -52.4116 -52.4116 -52.3992 -52.3992 -26.7700 -26.7700 -26.7182 -26.7182 -19.2244 -19.2244 -19.1376 -19.1376 -19.0158 -19.0158 -18.9244 -18.9244 -4.5637 -4.5637 -3.8717 -3.8717 -3.2009 -3.2009 -2.9597 -2.9597 3.9354 3.9354 4.7597 4.7597 5.2946 5.2946 5.4289 5.4289 5.5985 5.5985 6.0172 6.0172 6.7446 6.7446 6.8659 6.8659 7.2789 7.2789 8.1618 8.1618 8.2819 8.2819 8.7130 8.7130 12.2413 12.2413 12.3664 12.3664 12.9628 12.9628 13.2107 13.2107 13.5716 13.5716 k = 0.5999 0.1054-0.9431 ( 4656 PWs) bands (ev): -52.4120 -52.4120 -52.3992 -52.3992 -26.7697 -26.7697 -26.7162 -26.7162 -19.2230 -19.2230 -19.1317 -19.1317 -19.0128 -19.0128 -18.9229 -18.9229 -4.5994 -4.5994 -3.8891 -3.8891 -3.2283 -3.2283 -2.9807 -2.9807 3.9537 3.9537 4.7655 4.7655 5.2901 5.2901 5.4323 5.4323 5.6534 5.6534 6.0762 6.0762 6.7079 6.7079 6.8140 6.8140 7.3204 7.3204 8.1879 8.1879 8.3131 8.3131 8.7439 8.7439 12.2316 12.2316 12.3486 12.3486 12.9907 12.9907 13.2483 13.2483 13.5687 13.5687 k = 0.5966 0.1048-0.9099 ( 4660 PWs) bands (ev): -52.4123 -52.4123 -52.3992 -52.3992 -26.7695 -26.7695 -26.7142 -26.7142 -19.2216 -19.2216 -19.1257 -19.1257 -19.0095 -19.0095 -18.9215 -18.9215 -4.6357 -4.6357 -3.9080 -3.9080 -3.2548 -3.2548 -3.0018 -3.0018 3.9699 3.9699 4.7737 4.7737 5.2812 5.2812 5.4262 5.4262 5.7181 5.7181 6.1418 6.1418 6.6694 6.6694 6.7689 6.7689 7.3608 7.3608 8.2147 8.2147 8.3465 8.3465 8.7761 8.7761 12.2201 12.2201 12.3275 12.3275 13.0094 13.0094 13.2861 13.2861 13.5691 13.5691 k = 0.5933 0.1042-0.8768 ( 4662 PWs) bands (ev): -52.4127 -52.4127 -52.3991 -52.3991 -26.7692 -26.7692 -26.7122 -26.7122 -19.2203 -19.2203 -19.1197 -19.1197 -19.0060 -19.0060 -18.9201 -18.9201 -4.6723 -4.6723 -3.9283 -3.9283 -3.2803 -3.2803 -3.0228 -3.0228 3.9843 3.9843 4.7843 4.7843 5.2693 5.2693 5.4153 5.4153 5.7851 5.7851 6.2106 6.2106 6.6268 6.6268 6.7373 6.7373 7.3995 7.3995 8.2425 8.2425 8.3819 8.3819 8.8098 8.8098 12.2069 12.2069 12.3048 12.3048 13.0188 13.0188 13.3185 13.3185 13.5739 13.5739 k = 0.5899 0.1037-0.8436 ( 4654 PWs) bands (ev): -52.4131 -52.4131 -52.3991 -52.3991 -26.7688 -26.7688 -26.7102 -26.7102 -19.2190 -19.2190 -19.1136 -19.1136 -19.0023 -19.0023 -18.9186 -18.9186 -4.7091 -4.7091 -3.9499 -3.9499 -3.3047 -3.3047 -3.0437 -3.0437 3.9975 3.9975 4.7972 4.7972 5.2554 5.2554 5.4020 5.4020 5.8489 5.8489 6.2788 6.2788 6.5797 6.5797 6.7251 6.7251 7.4362 7.4362 8.2715 8.2715 8.4193 8.4193 8.8449 8.8449 12.1918 12.1918 12.2818 12.2818 13.0194 13.0194 13.3409 13.3409 13.5831 13.5831 k = 0.5866 0.1031-0.8104 ( 4658 PWs) bands (ev): -52.4135 -52.4135 -52.3991 -52.3991 -26.7685 -26.7685 -26.7082 -26.7082 -19.2178 -19.2178 -19.1075 -19.1075 -18.9983 -18.9983 -18.9173 -18.9173 -4.7459 -4.7459 -3.9727 -3.9727 -3.3281 -3.3281 -3.0644 -3.0644 4.0099 4.0099 4.8125 4.8125 5.2402 5.2402 5.3873 5.3873 5.9038 5.9038 6.3419 6.3419 6.5325 6.5325 6.7355 6.7355 7.4712 7.4712 8.3020 8.3020 8.4586 8.4586 8.8815 8.8815 12.1746 12.1746 12.2597 12.2597 13.0118 13.0118 13.3520 13.3520 13.5945 13.5945 k = 0.5833 0.1025-0.7773 ( 4664 PWs) bands (ev): -52.4138 -52.4138 -52.3991 -52.3991 -26.7681 -26.7681 -26.7062 -26.7062 -19.2166 -19.2166 -19.1014 -19.1014 -18.9942 -18.9942 -18.9160 -18.9160 -4.7827 -4.7827 -3.9966 -3.9966 -3.3502 -3.3502 -3.0849 -3.0849 4.0219 4.0219 4.8299 4.8299 5.2242 5.2242 5.3720 5.3720 5.9444 5.9444 6.3861 6.3861 6.5018 6.5018 6.7686 6.7686 7.5050 7.5050 8.3341 8.3341 8.4995 8.4995 8.9194 8.9194 12.1552 12.1552 12.2391 12.2391 12.9964 12.9964 13.3534 13.3534 13.6051 13.6051 k = 0.5799 0.1019-0.7441 ( 4664 PWs) bands (ev): -52.4142 -52.4142 -52.3991 -52.3991 -26.7678 -26.7678 -26.7042 -26.7042 -19.2156 -19.2156 -19.0953 -19.0953 -18.9899 -18.9899 -18.9148 -18.9148 -4.8193 -4.8193 -4.0214 -4.0214 -3.3713 -3.3713 -3.1049 -3.1049 4.0340 4.0340 4.8494 4.8494 5.2077 5.2077 5.3564 5.3564 5.9666 5.9666 6.3757 6.3757 6.5283 6.5283 6.8212 6.8212 7.5384 7.5384 8.3680 8.3680 8.5418 8.5418 8.9587 8.9587 12.1337 12.1337 12.2203 12.2203 12.9734 12.9734 13.3476 13.3476 13.6118 13.6118 k = 0.5766 0.1013-0.7109 ( 4664 PWs) bands (ev): -52.4146 -52.4146 -52.3991 -52.3991 -26.7674 -26.7674 -26.7023 -26.7023 -19.2146 -19.2146 -19.0892 -19.0892 -18.9855 -18.9855 -18.9136 -18.9136 -4.8556 -4.8556 -4.0468 -4.0468 -3.3912 -3.3912 -3.1246 -3.1246 4.0465 4.0465 4.8708 4.8708 5.1912 5.1912 5.3408 5.3408 5.9701 5.9701 6.3310 6.3310 6.5960 6.5960 6.8868 6.8868 7.5728 7.5728 8.4037 8.4037 8.5855 8.5855 8.9993 8.9993 12.1109 12.1109 12.2029 12.2029 12.9429 12.9429 13.3364 13.3364 13.6132 13.6132 k = 0.5733 0.1007-0.6778 ( 4671 PWs) bands (ev): -52.4149 -52.4149 -52.3991 -52.3991 -26.7670 -26.7670 -26.7004 -26.7004 -19.2137 -19.2137 -19.0832 -19.0832 -18.9810 -18.9810 -18.9125 -18.9125 -4.8914 -4.8914 -4.0727 -4.0727 -3.4101 -3.4101 -3.1438 -3.1438 4.0598 4.0598 4.8937 4.8937 5.1750 5.1750 5.3256 5.3256 5.9577 5.9577 6.2792 6.2792 6.6787 6.6787 6.9585 6.9585 7.6102 7.6102 8.4411 8.4411 8.6305 8.6305 9.0411 9.0411 12.0874 12.0874 12.1865 12.1865 12.9055 12.9055 13.3210 13.3210 13.6085 13.6085 k = 0.5699 0.1001-0.6446 ( 4672 PWs) bands (ev): -52.4153 -52.4153 -52.3991 -52.3991 -26.7666 -26.7666 -26.6985 -26.6985 -19.2128 -19.2128 -19.0772 -19.0772 -18.9763 -18.9763 -18.9115 -18.9115 -4.9266 -4.9266 -4.0990 -4.0990 -3.4278 -3.4278 -3.1625 -3.1625 4.0741 4.0741 4.9176 4.9176 5.1595 5.1595 5.3109 5.3109 5.9333 5.9333 6.2263 6.2263 6.7690 6.7690 7.0307 7.0307 7.6528 7.6528 8.4802 8.4802 8.6765 8.6765 9.0839 9.0839 12.0638 12.0638 12.1705 12.1705 12.8613 12.8613 13.3023 13.3023 13.5975 13.5975 k = 0.5666 0.0996-0.6115 ( 4676 PWs) bands (ev): -52.4156 -52.4156 -52.3991 -52.3991 -26.7662 -26.7662 -26.6967 -26.6967 -19.2121 -19.2121 -19.0713 -19.0713 -18.9717 -18.9717 -18.9105 -18.9105 -4.9611 -4.9611 -4.1253 -4.1253 -3.4446 -3.4446 -3.1807 -3.1807 4.0897 4.0897 4.9421 4.9421 5.1451 5.1451 5.2970 5.2970 5.9003 5.9003 6.1738 6.1738 6.8619 6.8619 7.1000 7.1000 7.7030 7.7030 8.5207 8.5207 8.7236 8.7236 9.1276 9.1276 12.0408 12.0408 12.1545 12.1545 12.8111 12.8111 13.2806 13.2806 13.5805 13.5805 k = 0.5633 0.0990-0.5783 ( 4676 PWs) bands (ev): -52.4159 -52.4159 -52.3992 -52.3992 -26.7657 -26.7657 -26.6950 -26.6950 -19.2113 -19.2113 -19.0654 -19.0654 -18.9670 -18.9670 -18.9097 -18.9097 -4.9947 -4.9947 -4.1515 -4.1515 -3.4604 -3.4604 -3.1982 -3.1982 4.1067 4.1067 4.9658 4.9658 5.1328 5.1328 5.2842 5.2842 5.8614 5.8614 6.1224 6.1224 6.9518 6.9518 7.1663 7.1663 7.7626 7.7626 8.5625 8.5625 8.7718 8.7718 9.1722 9.1722 12.0186 12.0186 12.1383 12.1383 12.7555 12.7555 13.2562 13.2562 13.5579 13.5579 k = 0.5600 0.0984-0.5451 ( 4673 PWs) bands (ev): -52.4162 -52.4162 -52.3992 -52.3992 -26.7652 -26.7652 -26.6932 -26.6932 -19.2107 -19.2107 -19.0597 -19.0597 -18.9623 -18.9623 -18.9089 -18.9089 -5.0273 -5.0273 -4.1775 -4.1775 -3.4753 -3.4753 -3.2151 -3.2151 4.1254 4.1254 4.9870 4.9870 5.1241 5.1241 5.2728 5.2728 5.8183 5.8183 6.0726 6.0726 7.0307 7.0307 7.2340 7.2340 7.8320 7.8320 8.6051 8.6051 8.8211 8.8211 9.2176 9.2176 11.9976 11.9976 12.1216 12.1216 12.6955 12.6955 13.2294 13.2294 13.5306 13.5306 k = 0.5566 0.0978-0.5120 ( 4669 PWs) bands (ev): -52.4165 -52.4165 -52.3992 -52.3992 -26.7647 -26.7647 -26.6916 -26.6916 -19.2101 -19.2101 -19.0540 -19.0540 -18.9576 -18.9576 -18.9082 -18.9082 -5.0589 -5.0589 -4.2030 -4.2030 -3.4893 -3.4893 -3.2313 -3.2313 4.1458 4.1458 5.0027 5.0027 5.1212 5.1212 5.2634 5.2634 5.7724 5.7724 6.0244 6.0244 7.0898 7.0898 7.3104 7.3104 7.9103 7.9103 8.6484 8.6484 8.8716 8.8716 9.2635 9.2635 11.9778 11.9778 12.1044 12.1044 12.6322 12.6322 13.2003 13.2003 13.4999 13.4999 k = 0.5533 0.0972-0.4788 ( 4661 PWs) bands (ev): -52.4168 -52.4168 -52.3992 -52.3992 -26.7642 -26.7642 -26.6899 -26.6899 -19.2095 -19.2095 -19.0486 -19.0486 -18.9530 -18.9530 -18.9076 -18.9076 -5.0892 -5.0892 -4.2278 -4.2278 -3.5024 -3.5024 -3.2468 -3.2468 4.1681 4.1681 5.0102 5.0102 5.1257 5.1257 5.2569 5.2569 5.7245 5.7245 5.9782 5.9782 7.1266 7.1266 7.3981 7.3981 7.9954 7.9954 8.6920 8.6920 8.9232 8.9232 9.3100 9.3100 11.9592 11.9592 12.0865 12.0865 12.5666 12.5666 13.1691 13.1691 13.4673 13.4673 k = 0.5500 0.0966-0.4457 ( 4659 PWs) bands (ev): -52.4171 -52.4171 -52.3992 -52.3992 -26.7638 -26.7638 -26.6884 -26.6884 -19.2091 -19.2091 -19.0433 -19.0433 -18.9485 -18.9485 -18.9070 -18.9070 -5.1183 -5.1183 -4.2519 -4.2519 -3.5147 -3.5147 -3.2616 -3.2616 4.1922 4.1922 5.0096 5.0096 5.1357 5.1357 5.2550 5.2550 5.6755 5.6755 5.9342 5.9342 7.1457 7.1457 7.4931 7.4931 8.0847 8.0847 8.7355 8.7355 8.9763 8.9763 9.3569 9.3569 11.9419 11.9419 12.0681 12.0681 12.4999 12.4999 13.1362 13.1362 13.4342 13.4342 k = 0.5466 0.0961-0.4125 ( 4667 PWs) bands (ev): -52.4174 -52.4174 -52.3992 -52.3992 -26.7634 -26.7634 -26.6869 -26.6869 -19.2087 -19.2087 -19.0382 -19.0382 -18.9442 -18.9442 -18.9066 -18.9066 -5.1460 -5.1460 -4.2751 -4.2751 -3.5262 -3.5262 -3.2755 -3.2755 4.2182 4.2182 5.0035 5.0035 5.1458 5.1458 5.2596 5.2596 5.6261 5.6261 5.8925 5.8925 7.1525 7.1525 7.5905 7.5905 8.1761 8.1761 8.7785 8.7785 9.0307 9.0307 9.4042 9.4042 11.9257 11.9257 12.0492 12.0492 12.4333 12.4333 13.1019 13.1019 13.4019 13.4019 k = 0.5433 0.0955-0.3793 ( 4670 PWs) bands (ev): -52.4176 -52.4176 -52.3993 -52.3993 -26.7631 -26.7631 -26.6856 -26.6856 -19.2084 -19.2084 -19.0333 -19.0333 -18.9400 -18.9400 -18.9063 -18.9063 -5.1721 -5.1721 -4.2972 -4.2972 -3.5369 -3.5369 -3.2886 -3.2886 4.2461 4.2461 4.9948 4.9948 5.1515 5.1515 5.2718 5.2718 5.5773 5.5773 5.8532 5.8532 7.1510 7.1510 7.6869 7.6869 8.2674 8.2674 8.8208 8.8208 9.0865 9.0865 9.4518 9.4518 11.9104 11.9104 12.0300 12.0300 12.3680 12.3680 13.0664 13.0664 13.3710 13.3710 k = 0.5400 0.0949-0.3462 ( 4673 PWs) bands (ev): -52.4179 -52.4179 -52.3993 -52.3993 -26.7627 -26.7627 -26.6843 -26.6843 -19.2081 -19.2081 -19.0286 -19.0286 -18.9360 -18.9360 -18.9060 -18.9060 -5.1967 -5.1967 -4.3181 -4.3181 -3.5468 -3.5468 -3.3009 -3.3009 4.2759 4.2759 4.9849 4.9849 5.1523 5.1523 5.2892 5.2892 5.5305 5.5305 5.8164 5.8164 7.1435 7.1435 7.7800 7.7800 8.3570 8.3570 8.8619 8.8619 9.1434 9.1434 9.4996 9.4996 11.8955 11.8955 12.0110 12.0110 12.3048 12.3048 13.0304 13.0304 13.3420 13.3420 k = 0.5366 0.0943-0.3130 ( 4679 PWs) bands (ev): -52.4181 -52.4181 -52.3993 -52.3993 -26.7624 -26.7624 -26.6831 -26.6831 -19.2079 -19.2079 -19.0242 -19.0242 -18.9323 -18.9323 -18.9058 -18.9058 -5.2196 -5.2196 -4.3377 -4.3377 -3.5559 -3.5559 -3.3123 -3.3123 4.3074 4.3074 4.9748 4.9748 5.1493 5.1493 5.3063 5.3063 5.4890 5.4890 5.7824 5.7824 7.1319 7.1319 7.8682 7.8682 8.4437 8.4437 8.9014 8.9014 9.2012 9.2012 9.5475 9.5475 11.8805 11.8805 11.9926 11.9926 12.2449 12.2449 12.9941 12.9941 13.3149 13.3149 k = 0.5333 0.0937-0.2798 ( 4689 PWs) bands (ev): -52.4183 -52.4183 -52.3994 -52.3994 -26.7621 -26.7621 -26.6821 -26.6821 -19.2077 -19.2077 -19.0201 -19.0201 -18.9288 -18.9288 -18.9057 -18.9057 -5.2408 -5.2408 -4.3559 -4.3559 -3.5642 -3.5642 -3.3228 -3.3228 4.3405 4.3405 4.9647 4.9647 5.1441 5.1441 5.3140 5.3140 5.4599 5.4599 5.7512 5.7512 7.1174 7.1174 7.9500 7.9500 8.5263 8.5263 8.9391 8.9391 9.2593 9.2593 9.5953 9.5953 11.8650 11.8650 11.9754 11.9754 12.1890 12.1890 12.9580 12.9580 13.2892 13.2892 k = 0.5300 0.0931-0.2467 ( 4696 PWs) bands (ev): -52.4185 -52.4185 -52.3994 -52.3994 -26.7619 -26.7619 -26.6811 -26.6811 -19.2075 -19.2075 -19.0163 -19.0163 -18.9256 -18.9256 -18.9057 -18.9057 -5.2602 -5.2602 -4.3727 -4.3727 -3.5718 -3.5718 -3.3324 -3.3324 4.3752 4.3752 4.9551 4.9551 5.1374 5.1374 5.3021 5.3021 5.4522 5.4522 5.7230 5.7230 7.1010 7.1010 8.0246 8.0246 8.6039 8.6039 8.9745 8.9745 9.3169 9.3169 9.6425 9.6425 11.8483 11.8483 11.9600 11.9600 12.1379 12.1379 12.9224 12.9224 13.2639 13.2639 k = 0.5266 0.0925-0.2135 ( 4700 PWs) bands (ev): -52.4186 -52.4186 -52.3994 -52.3994 -26.7616 -26.7616 -26.6802 -26.6802 -19.2074 -19.2074 -19.0128 -19.0128 -18.9227 -18.9227 -18.9057 -18.9057 -5.2777 -5.2777 -4.3879 -4.3879 -3.5785 -3.5785 -3.3410 -3.3410 4.4113 4.4113 4.9459 4.9459 5.1289 5.1289 5.2729 5.2729 5.4634 5.4634 5.6979 5.6979 7.0836 7.0836 8.0914 8.0914 8.6759 8.6759 9.0073 9.0073 9.3732 9.3732 9.6888 9.6888 11.8302 11.8302 11.9469 11.9469 12.0920 12.0920 12.8879 12.8879 13.2362 13.2362 k = 0.5233 0.0920-0.1804 ( 4701 PWs) bands (ev): -52.4188 -52.4188 -52.3994 -52.3994 -26.7613 -26.7613 -26.6794 -26.6794 -19.2072 -19.2072 -19.0096 -19.0096 -18.9201 -18.9201 -18.9057 -18.9057 -5.2933 -5.2933 -4.4015 -4.4015 -3.5845 -3.5845 -3.3487 -3.3487 4.4485 4.4485 4.9372 4.9372 5.1177 5.1177 5.2379 5.2379 5.4827 5.4827 5.6762 5.6762 7.0660 7.0660 8.1498 8.1498 8.7414 8.7414 9.0371 9.0371 9.4270 9.4270 9.7334 9.7334 11.8109 11.8109 11.9362 11.9362 12.0519 12.0519 12.8548 12.8548 13.2046 13.2046 k = 0.5200 0.0914-0.1472 ( 4703 PWs) bands (ev): -52.4189 -52.4189 -52.3994 -52.3994 -26.7611 -26.7611 -26.6787 -26.6787 -19.2071 -19.2071 -19.0067 -19.0067 -18.9178 -18.9178 -18.9057 -18.9057 -5.3069 -5.3069 -4.4133 -4.4133 -3.5897 -3.5897 -3.3554 -3.3554 4.4864 4.4864 4.9288 4.9288 5.1018 5.1018 5.2055 5.2055 5.5034 5.5034 5.6582 5.6582 7.0488 7.0488 8.1999 8.1999 8.7997 8.7997 9.0636 9.0636 9.4773 9.4773 9.7753 9.7753 11.7910 11.7910 11.9278 11.9278 12.0176 12.0176 12.8238 12.8238 13.1717 13.1717 k = 0.5167 0.0908-0.1140 ( 4702 PWs) bands (ev): -52.4190 -52.4190 -52.3994 -52.3994 -26.7609 -26.7609 -26.6781 -26.6781 -19.2071 -19.2071 -19.0042 -19.0042 -18.9159 -18.9159 -18.9057 -18.9057 -5.3185 -5.3185 -4.4235 -4.4235 -3.5941 -3.5941 -3.3610 -3.3610 4.5245 4.5245 4.9205 4.9205 5.0791 5.0791 5.1809 5.1809 5.5222 5.5222 5.6443 5.6443 7.0329 7.0329 8.2416 8.2416 8.8503 8.8503 9.0864 9.0864 9.5229 9.5229 9.8136 9.8136 11.7716 11.7716 11.9213 11.9213 11.9892 11.9892 12.7955 12.7955 13.1411 13.1411 k = 0.5133 0.0902-0.0809 ( 4708 PWs) bands (ev): -52.4191 -52.4191 -52.3995 -52.3995 -26.7608 -26.7608 -26.6776 -26.6776 -19.2070 -19.2070 -19.0022 -19.0022 -18.9144 -18.9144 -18.9057 -18.9057 -5.3280 -5.3280 -4.4318 -4.4318 -3.5978 -3.5978 -3.3657 -3.3657 4.5621 4.5621 4.9117 4.9117 5.0512 5.0512 5.1652 5.1652 5.5370 5.5370 5.6351 5.6351 7.0188 7.0188 8.2753 8.2753 8.8925 8.8925 9.1054 9.1054 9.5626 9.5626 9.8469 9.8469 11.7537 11.7537 11.9163 11.9163 11.9665 11.9665 12.7707 12.7707 13.1147 13.1147 k = 0.5100 0.0896-0.0477 ( 4706 PWs) bands (ev): -52.4192 -52.4192 -52.3995 -52.3995 -26.7606 -26.7606 -26.6772 -26.6772 -19.2070 -19.2070 -19.0006 -19.0006 -18.9132 -18.9132 -18.9057 -18.9057 -5.3355 -5.3355 -4.4384 -4.4384 -3.6006 -3.6006 -3.3693 -3.3693 4.5976 4.5976 4.9017 4.9017 5.0231 5.0231 5.1559 5.1559 5.5468 5.5468 5.6306 5.6306 7.0071 7.0071 8.3011 8.3011 8.9259 8.9259 9.1203 9.1203 9.5951 9.5951 9.8742 9.8742 11.7385 11.7385 11.9125 11.9125 11.9493 11.9493 12.7502 12.7502 13.0934 13.0934 k = 0.5067 0.0890-0.0146 ( 4708 PWs) bands (ev): -52.4192 -52.4192 -52.3995 -52.3995 -26.7605 -26.7605 -26.6770 -26.6770 -19.2069 -19.2069 -18.9994 -18.9994 -18.9123 -18.9123 -18.9056 -18.9056 -5.3408 -5.3408 -4.4430 -4.4430 -3.6026 -3.6026 -3.3719 -3.3719 4.6287 4.6287 4.8903 4.8903 5.0001 5.0001 5.1505 5.1505 5.5519 5.5519 5.6297 5.6297 6.9984 6.9984 8.3192 8.3192 8.9501 8.9501 9.1309 9.1309 9.6193 9.6193 9.8944 9.8944 11.7270 11.7270 11.9097 11.9097 11.9375 11.9375 12.7348 12.7348 13.0780 13.0780 k = 0.5033 0.0884 0.0186 ( 4714 PWs) bands (ev): -52.4193 -52.4193 -52.3995 -52.3995 -26.7605 -26.7605 -26.6768 -26.6768 -19.2069 -19.2069 -18.9987 -18.9987 -18.9119 -18.9119 -18.9056 -18.9056 -5.3440 -5.3440 -4.4459 -4.4459 -3.6038 -3.6038 -3.3735 -3.3735 4.6512 4.6512 4.8797 4.8797 4.9858 4.9858 5.1476 5.1476 5.5539 5.5539 5.6305 5.6305 6.9930 6.9930 8.3301 8.3301 8.9647 8.9647 9.1373 9.1373 9.6343 9.6343 9.9069 9.9069 11.7198 11.7198 11.9077 11.9077 11.9308 11.9308 12.7253 12.7253 13.0686 13.0686 k = 0.5000 0.0879 0.0518 ( 4724 PWs) bands (ev): -52.4193 -52.4193 -52.3995 -52.3995 -26.7605 -26.7605 -26.6768 -26.6768 -19.2070 -19.2070 -18.9986 -18.9986 -18.9118 -18.9118 -18.9057 -18.9057 -5.3451 -5.3451 -4.4468 -4.4468 -3.6042 -3.6042 -3.3740 -3.3740 4.6597 4.6597 4.8750 4.8750 4.9811 4.9811 5.1467 5.1467 5.5543 5.5543 5.6310 5.6310 6.9912 6.9912 8.3337 8.3337 8.9696 8.9696 9.1394 9.1394 9.6394 9.6394 9.9111 9.9111 11.7173 11.7173 11.9070 11.9070 11.9286 11.9286 12.7221 12.7221 13.0655 13.0655 k = 0.5000-1.3788-0.8125 ( 4666 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7694 -26.7694 -26.7428 -26.7428 -19.2397 -19.2397 -19.2070 -19.2070 -19.0373 -19.0373 -18.9434 -18.9434 -4.1532 -4.1532 -3.7706 -3.7706 -2.7972 -2.7972 -2.7147 -2.7147 3.4837 3.4837 4.5421 4.5421 4.8487 4.8487 5.2761 5.2761 5.7133 5.7133 6.1471 6.1471 6.4002 6.4002 7.5384 7.5384 7.5876 7.5876 7.7651 7.7651 8.0753 8.0753 8.1810 8.1810 11.5881 11.5881 12.4752 12.4752 12.6899 12.6899 13.1506 13.1506 13.2615 13.2615 k = 0.5297-1.3708-0.8078 ( 4661 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7694 -26.7694 -26.7427 -26.7427 -19.2397 -19.2397 -19.2070 -19.2070 -19.0373 -19.0373 -18.9434 -18.9434 -4.1532 -4.1532 -3.7706 -3.7706 -2.7972 -2.7972 -2.7147 -2.7147 3.4833 3.4833 4.5431 4.5431 4.8488 4.8488 5.2764 5.2764 5.7131 5.7131 6.1458 6.1458 6.4007 6.4007 7.5304 7.5304 7.5908 7.5908 7.7694 7.7694 8.0731 8.0731 8.1840 8.1840 11.5887 11.5887 12.4752 12.4752 12.6908 12.6908 13.1311 13.1311 13.2822 13.2822 k = 0.5593-1.3629-0.8030 ( 4659 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7694 -26.7694 -26.7427 -26.7427 -19.2396 -19.2396 -19.2070 -19.2070 -19.0373 -19.0373 -18.9434 -18.9434 -4.1533 -4.1533 -3.7706 -3.7706 -2.7973 -2.7973 -2.7147 -2.7147 3.4820 3.4820 4.5461 4.5461 4.8493 4.8493 5.2773 5.2773 5.7126 5.7126 6.1422 6.1422 6.4017 6.4017 7.5115 7.5115 7.5969 7.5969 7.7811 7.7811 8.0671 8.0671 8.1920 8.1920 11.5905 11.5905 12.4752 12.4752 12.6936 12.6936 13.0929 13.0929 13.3236 13.3236 k = 0.5890-1.3549-0.7983 ( 4662 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7695 -26.7695 -26.7427 -26.7427 -19.2397 -19.2397 -19.2070 -19.2070 -19.0374 -19.0374 -18.9434 -18.9434 -4.1534 -4.1534 -3.7706 -3.7706 -2.7973 -2.7973 -2.7147 -2.7147 3.4799 3.4799 4.5509 4.5509 4.8502 4.8502 5.2786 5.2786 5.7118 5.7118 6.1367 6.1367 6.4028 6.4028 7.4875 7.4875 7.6025 7.6025 7.7976 7.7976 8.0589 8.0589 8.2036 8.2036 11.5934 11.5934 12.4750 12.4750 12.6987 12.6987 13.0522 13.0522 13.3682 13.3682 k = 0.6187-1.3469-0.7936 ( 4661 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7695 -26.7695 -26.7427 -26.7427 -19.2397 -19.2397 -19.2070 -19.2070 -19.0374 -19.0374 -18.9433 -18.9433 -4.1535 -4.1535 -3.7706 -3.7706 -2.7974 -2.7974 -2.7147 -2.7147 3.4770 3.4770 4.5571 4.5571 4.8520 4.8520 5.2800 5.2800 5.7107 5.7107 6.1301 6.1301 6.4033 6.4033 7.4618 7.4618 7.6073 7.6073 7.8162 7.8162 8.0500 8.0500 8.2171 8.2171 11.5975 11.5975 12.4740 12.4740 12.7067 12.7067 13.0135 13.0135 13.4094 13.4094 k = 0.6484-1.3389-0.7889 ( 4664 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7695 -26.7695 -26.7427 -26.7427 -19.2397 -19.2397 -19.2070 -19.2070 -19.0374 -19.0374 -18.9433 -18.9433 -4.1536 -4.1536 -3.7706 -3.7706 -2.7975 -2.7975 -2.7147 -2.7147 3.4736 3.4736 4.5644 4.5644 4.8549 4.8549 5.2813 5.2813 5.7093 5.7093 6.1230 6.1230 6.4022 6.4022 7.4366 7.4366 7.6115 7.6115 7.8351 7.8351 8.0411 8.0411 8.2314 8.2314 11.6024 11.6024 12.4721 12.4721 12.7182 12.7182 12.9783 12.9783 13.4439 13.4439 k = 0.6780-1.3309-0.7842 ( 4666 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7695 -26.7695 -26.7427 -26.7427 -19.2397 -19.2397 -19.2069 -19.2069 -19.0373 -19.0373 -18.9434 -18.9434 -4.1538 -4.1538 -3.7706 -3.7706 -2.7977 -2.7977 -2.7147 -2.7147 3.4697 3.4697 4.5723 4.5723 4.8594 4.8594 5.2821 5.2821 5.7078 5.7078 6.1163 6.1163 6.3989 6.3989 7.4131 7.4131 7.6154 7.6154 7.8530 7.8530 8.0330 8.0330 8.2458 8.2458 11.6082 11.6082 12.4689 12.4689 12.7338 12.7338 12.9475 12.9475 13.4700 13.4700 k = 0.7077-1.3229-0.7795 ( 4666 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7695 -26.7695 -26.7427 -26.7427 -19.2397 -19.2397 -19.2069 -19.2069 -19.0373 -19.0373 -18.9433 -18.9433 -4.1540 -4.1540 -3.7706 -3.7706 -2.7978 -2.7978 -2.7148 -2.7148 3.4655 3.4655 4.5803 4.5803 4.8657 4.8657 5.2821 5.2821 5.7061 5.7061 6.1104 6.1104 6.3929 6.3929 7.3924 7.3924 7.6190 7.6190 7.8693 7.8693 8.0259 8.0259 8.2595 8.2595 11.6145 11.6145 12.4645 12.4645 12.7534 12.7534 12.9219 12.9219 13.4867 13.4867 k = 0.7374-1.3149-0.7748 ( 4672 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7695 -26.7695 -26.7427 -26.7427 -19.2397 -19.2397 -19.2069 -19.2069 -19.0374 -19.0374 -18.9433 -18.9433 -4.1543 -4.1543 -3.7706 -3.7706 -2.7979 -2.7979 -2.7149 -2.7149 3.4611 3.4611 4.5879 4.5879 4.8743 4.8743 5.2808 5.2808 5.7044 5.7044 6.1057 6.1057 6.3841 6.3841 7.3751 7.3751 7.6223 7.6223 7.8837 7.8837 8.0198 8.0198 8.2721 8.2721 11.6211 11.6211 12.4590 12.4590 12.7764 12.7764 12.9023 12.9023 13.4925 13.4925 k = 0.7671-1.3070-0.7701 ( 4680 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7696 -26.7696 -26.7427 -26.7427 -19.2397 -19.2397 -19.2069 -19.2069 -19.0374 -19.0374 -18.9434 -18.9434 -4.1546 -4.1546 -3.7706 -3.7706 -2.7980 -2.7980 -2.7151 -2.7151 3.4567 3.4567 4.5948 4.5948 4.8851 4.8851 5.2780 5.2780 5.7027 5.7027 6.1026 6.1026 6.3724 6.3724 7.3615 7.3615 7.6253 7.6253 7.8962 7.8962 8.0149 8.0149 8.2831 8.2831 11.6277 11.6277 12.4529 12.4529 12.7997 12.7997 12.8920 12.8920 13.4850 13.4850 k = 0.7967-1.2990-0.7654 ( 4685 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7696 -26.7696 -26.7427 -26.7427 -19.2398 -19.2398 -19.2069 -19.2069 -19.0374 -19.0374 -18.9434 -18.9434 -4.1549 -4.1549 -3.7706 -3.7706 -2.7981 -2.7981 -2.7153 -2.7153 3.4525 3.4525 4.6007 4.6007 4.8981 4.8981 5.2737 5.2737 5.7011 5.7011 6.1008 6.1008 6.3587 6.3587 7.3516 7.3516 7.6278 7.6278 7.9072 7.9072 8.0108 8.0108 8.2924 8.2924 11.6342 11.6342 12.4465 12.4465 12.8157 12.8157 12.8981 12.8981 13.4627 13.4627 k = 0.8264-1.2910-0.7607 ( 4685 PWs) bands (ev): -52.4069 -52.4069 -52.4003 -52.4003 -26.7696 -26.7696 -26.7427 -26.7427 -19.2398 -19.2398 -19.2068 -19.2068 -19.0374 -19.0374 -18.9434 -18.9434 -4.1552 -4.1552 -3.7706 -3.7706 -2.7981 -2.7981 -2.7156 -2.7156 3.4485 3.4485 4.6056 4.6056 4.9129 4.9129 5.2678 5.2678 5.6997 5.6997 6.1002 6.1002 6.3438 6.3438 7.3451 7.3451 7.6298 7.6298 7.9169 7.9169 8.0072 8.0072 8.2997 8.2997 11.6401 11.6401 12.4403 12.4403 12.8194 12.8194 12.9251 12.9251 13.4266 13.4266 Writing output data file HfIN.save init_run : 1.67s CPU 0.99s WALL ( 1 calls) electrons : 740.00s CPU 504.66s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.37s CPU 0.24s WALL ( 1 calls) Called by electrons: c_bands : 739.99s CPU 504.65s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.06s CPU 0.03s WALL ( 1 calls) newd : 0.32s CPU 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.25s CPU 0.32s WALL ( 313 calls) cegterg : 621.92s CPU 441.40s WALL ( 343 calls) Called by sum_band: Called by *egterg: h_psi : 605.80s CPU 375.76s WALL ( 6625 calls) s_psi : 5.94s CPU 5.24s WALL ( 6625 calls) g_psi : 0.16s CPU 0.13s WALL ( 5969 calls) cdiaghg : 102.64s CPU 99.39s WALL ( 6282 calls) cegterg:over : 8.44s CPU 8.49s WALL ( 5969 calls) cegterg:upda : 4.56s CPU 4.85s WALL ( 5969 calls) cegterg:last : 2.30s CPU 2.44s WALL ( 991 calls) cdiaghg:chol : 4.52s CPU 4.30s WALL ( 6282 calls) cdiaghg:inve : 2.79s CPU 2.65s WALL ( 6282 calls) cdiaghg:para : 5.64s CPU 5.58s WALL ( 12564 calls) Called by h_psi: h_psi:vloc : 589.70s CPU 361.89s WALL ( 6625 calls) h_psi:vnl : 15.97s CPU 13.74s WALL ( 6625 calls) add_vuspsi : 8.70s CPU 7.35s WALL ( 6625 calls) General routines calbec : 7.25s CPU 6.37s WALL ( 6625 calls) fft : 0.15s CPU 0.08s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 562.87s CPU 339.21s WALL ( 805516 calls) interpolate : 0.05s CPU 0.03s WALL ( 4 calls) davcio : 0.30s CPU 0.56s WALL ( 626 calls) Parallel routines fft_scatter : 147.07s CPU 120.21s WALL ( 805539 calls) PWSCF : 12m52.63s CPU 9m37.03s WALL This run was terminated on: 23:57:58 28Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=