Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:52:58 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./GaCuO2.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 44 25 7 809 350 60 Max 45 26 8 811 367 63 Sum 1591 923 281 29155 12929 2235 bravais-lattice index = 14 lattice parameter (alat) = 11.2933 a.u. unit-cell volume = 296.4552 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.293312 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.875925 celldm(5)= 0.875925 celldm(6)= 0.875925 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.875925 0.482446 0.000000 ) a(3) = ( 0.875925 0.225269 0.426625 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.815591 -1.094474 ) b(2) = ( 0.000000 2.072769 -1.094474 ) b(3) = ( 0.000000 0.000000 2.343981 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 Ga read from file: /users/gautes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Cu 11.00 63.54600 Cu( 1.00) Ga 13.00 69.72300 Ga( 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= 400 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0080645 -0.0146419 -0.0088264), wk = 0.0025000 k( 3) = ( 0.0161290 -0.0292837 -0.0176528), wk = 0.0025000 k( 4) = ( 0.0241936 -0.0439256 -0.0264792), wk = 0.0025000 k( 5) = ( 0.0322581 -0.0585674 -0.0353056), wk = 0.0025000 k( 6) = ( 0.0403226 -0.0732093 -0.0441320), wk = 0.0025000 k( 7) = ( 0.0483871 -0.0878512 -0.0529584), wk = 0.0025000 k( 8) = ( 0.0564516 -0.1024930 -0.0617848), wk = 0.0025000 k( 9) = ( 0.0645161 -0.1171349 -0.0706112), wk = 0.0025000 k( 10) = ( 0.0725806 -0.1317768 -0.0794377), wk = 0.0025000 k( 11) = ( 0.0806452 -0.1464186 -0.0882641), wk = 0.0025000 k( 12) = ( 0.0887097 -0.1610605 -0.0970905), wk = 0.0025000 k( 13) = ( 0.0967742 -0.1757024 -0.1059169), wk = 0.0025000 k( 14) = ( 0.1048387 -0.1903442 -0.1147433), wk = 0.0025000 k( 15) = ( 0.1129032 -0.2049861 -0.1235697), wk = 0.0025000 k( 16) = ( 0.1209677 -0.2196279 -0.1323961), wk = 0.0025000 k( 17) = ( 0.1290323 -0.2342698 -0.1412225), wk = 0.0025000 k( 18) = ( 0.1370968 -0.2489117 -0.1500489), wk = 0.0025000 k( 19) = ( 0.1451613 -0.2635535 -0.1588753), wk = 0.0025000 k( 20) = ( 0.1532258 -0.2781954 -0.1677017), wk = 0.0025000 k( 21) = ( 0.1612903 -0.2928373 -0.1765281), wk = 0.0025000 k( 22) = ( 0.1693548 -0.3074791 -0.1853545), wk = 0.0025000 k( 23) = ( 0.1774194 -0.3221210 -0.1941809), wk = 0.0025000 k( 24) = ( 0.1854839 -0.3367629 -0.2030073), wk = 0.0025000 k( 25) = ( 0.1935484 -0.3514047 -0.2118337), wk = 0.0025000 k( 26) = ( 0.2016129 -0.3660466 -0.2206601), wk = 0.0025000 k( 27) = ( 0.2096774 -0.3806884 -0.2294866), wk = 0.0025000 k( 28) = ( 0.2177419 -0.3953303 -0.2383130), wk = 0.0025000 k( 29) = ( 0.2258064 -0.4099722 -0.2471394), wk = 0.0025000 k( 30) = ( 0.2338710 -0.4246140 -0.2559658), wk = 0.0025000 k( 31) = ( 0.2419355 -0.4392559 -0.2647922), wk = 0.0025000 k( 32) = ( 0.2500000 -0.4538978 -0.2736186), wk = 0.0025000 k( 33) = ( 0.2580645 -0.4685396 -0.2824450), wk = 0.0025000 k( 34) = ( 0.2661290 -0.4831815 -0.2912714), wk = 0.0025000 k( 35) = ( 0.2741936 -0.4978234 -0.3000978), wk = 0.0025000 k( 36) = ( 0.2822581 -0.5124652 -0.3089242), wk = 0.0025000 k( 37) = ( 0.2903226 -0.5271071 -0.3177506), wk = 0.0025000 k( 38) = ( 0.2983871 -0.5417490 -0.3265770), wk = 0.0025000 k( 39) = ( 0.3064516 -0.5563908 -0.3354034), wk = 0.0025000 k( 40) = ( 0.3145161 -0.5710327 -0.3442298), wk = 0.0025000 k( 41) = ( 0.3225807 -0.5856745 -0.3530562), wk = 0.0025000 k( 42) = ( 0.3306452 -0.6003164 -0.3618826), wk = 0.0025000 k( 43) = ( 0.3387097 -0.6149583 -0.3707091), wk = 0.0025000 k( 44) = ( 0.3467742 -0.6296001 -0.3795355), wk = 0.0025000 k( 45) = ( 0.3548387 -0.6442420 -0.3883619), wk = 0.0025000 k( 46) = ( 0.3629032 -0.6588839 -0.3971883), wk = 0.0025000 k( 47) = ( 0.3709677 -0.6735257 -0.4060147), wk = 0.0025000 k( 48) = ( 0.3790323 -0.6881676 -0.4148411), wk = 0.0025000 k( 49) = ( 0.3870968 -0.7028094 -0.4236675), wk = 0.0025000 k( 50) = ( 0.3951613 -0.7174513 -0.4324939), wk = 0.0025000 k( 51) = ( 0.4032258 -0.7320932 -0.4413203), wk = 0.0025000 k( 52) = ( 0.4112903 -0.7467350 -0.4501467), wk = 0.0025000 k( 53) = ( 0.4193548 -0.7613769 -0.4589731), wk = 0.0025000 k( 54) = ( 0.4274193 -0.7760187 -0.4677995), wk = 0.0025000 k( 55) = ( 0.4354839 -0.7906606 -0.4766259), wk = 0.0025000 k( 56) = ( 0.4435484 -0.8053025 -0.4854523), wk = 0.0025000 k( 57) = ( 0.4516129 -0.8199443 -0.4942787), wk = 0.0025000 k( 58) = ( 0.4596774 -0.8345862 -0.5031051), wk = 0.0025000 k( 59) = ( 0.4677419 -0.8492281 -0.5119315), wk = 0.0025000 k( 60) = ( 0.4758064 -0.8638699 -0.5207579), wk = 0.0025000 k( 61) = ( 0.4838710 -0.8785118 -0.5295844), wk = 0.0025000 k( 62) = ( 0.4919355 -0.8931537 -0.5384108), wk = 0.0025000 k( 63) = ( 0.5000000 -0.9077955 -0.5472372), wk = 0.0025000 k( 64) = ( 0.5000000 -0.9077955 -0.5472372), wk = 0.0025000 k( 65) = ( 0.5000000 -0.8981388 -0.5632565), wk = 0.0025000 k( 66) = ( 0.5000000 -0.8884820 -0.5792758), wk = 0.0025000 k( 67) = ( 0.5000000 -0.8788252 -0.5952951), wk = 0.0025000 k( 68) = ( 0.5000000 -0.8691685 -0.6113144), wk = 0.0025000 k( 69) = ( 0.5000000 -0.8595117 -0.6273337), wk = 0.0025000 k( 70) = ( 0.5000000 -0.8498550 -0.6433530), wk = 0.0025000 k( 71) = ( 0.5000000 -0.8401982 -0.6593723), wk = 0.0025000 k( 72) = ( 0.5000000 -0.8305415 -0.6753916), wk = 0.0025000 k( 73) = ( 0.5000000 -0.8208847 -0.6914110), wk = 0.0025000 k( 74) = ( 0.5000000 -0.8112279 -0.7074303), wk = 0.0025000 k( 75) = ( 0.5000000 -0.8015712 -0.7234496), wk = 0.0025000 k( 76) = ( 0.5000000 -0.7919144 -0.7394689), wk = 0.0025000 k( 77) = ( 0.5000000 -0.7822577 -0.7554882), wk = 0.0025000 k( 78) = ( 0.5000000 -0.7726009 -0.7715075), wk = 0.0025000 k( 79) = ( 0.5000000 -0.7629442 -0.7875268), wk = 0.0025000 k( 80) = ( 0.5000000 -0.7532874 -0.8035461), wk = 0.0025000 k( 81) = ( 0.5000000 -0.7436306 -0.8195654), wk = 0.0025000 k( 82) = ( 0.5000000 -0.7339739 -0.8355848), wk = 0.0025000 k( 83) = ( 0.5000000 -0.7243171 -0.8516041), wk = 0.0025000 k( 84) = ( 0.5000000 -0.7146604 -0.8676234), wk = 0.0025000 k( 85) = ( 0.5000000 -0.7050036 -0.8836427), wk = 0.0025000 k( 86) = ( 0.5000000 -0.6953468 -0.8996620), wk = 0.0025000 k( 87) = ( 0.5000000 -0.6856901 -0.9156813), wk = 0.0025000 k( 88) = ( 0.5000000 -0.6760333 -0.9317006), wk = 0.0025000 k( 89) = ( 0.5000000 -0.6663766 -0.9477199), wk = 0.0025000 k( 90) = ( 0.5000000 -0.6567198 -0.9637392), wk = 0.0025000 k( 91) = ( 0.5000000 -0.6470630 -0.9797586), wk = 0.0025000 k( 92) = ( 0.5000000 -0.6374063 -0.9957779), wk = 0.0025000 k( 93) = ( 0.5000000 -0.6277495 -1.0117972), wk = 0.0025000 k( 94) = ( 0.5000000 -0.6180928 -1.0278165), wk = 0.0025000 k( 95) = ( 0.5000000 -0.6084360 -1.0438358), wk = 0.0025000 k( 96) = ( 0.5000000 -0.5987792 -1.0598551), wk = 0.0025000 k( 97) = ( 0.5000000 -0.5891225 -1.0758744), wk = 0.0025000 k( 98) = ( 0.5000000 -0.5794657 -1.0918937), wk = 0.0025000 k( 99) = ( 0.5000000 -0.5698090 -1.1079130), wk = 0.0025000 k( 100) = ( 0.5000000 -0.5601522 -1.1239324), wk = 0.0025000 k( 101) = ( 0.5000000 -0.5504955 -1.1399517), wk = 0.0025000 k( 102) = ( 0.5000000 -0.5408387 -1.1559710), wk = 0.0025000 k( 103) = ( 0.5000000 -0.5311819 -1.1719903), wk = 0.0025000 k( 104) = ( 0.8183041 -0.4493212 -1.0169584), wk = 0.0025000 k( 105) = ( 0.8136232 -0.4408225 -1.0008632), wk = 0.0025000 k( 106) = ( 0.8089422 -0.4323238 -0.9847680), wk = 0.0025000 k( 107) = ( 0.8042613 -0.4238251 -0.9686727), wk = 0.0025000 k( 108) = ( 0.7995803 -0.4153265 -0.9525775), wk = 0.0025000 k( 109) = ( 0.7948994 -0.4068278 -0.9364823), wk = 0.0025000 k( 110) = ( 0.7902185 -0.3983291 -0.9203871), wk = 0.0025000 k( 111) = ( 0.7855375 -0.3898304 -0.9042919), wk = 0.0025000 k( 112) = ( 0.7808566 -0.3813318 -0.8881967), wk = 0.0025000 k( 113) = ( 0.7761756 -0.3728331 -0.8721015), wk = 0.0025000 k( 114) = ( 0.7714947 -0.3643344 -0.8560063), wk = 0.0025000 k( 115) = ( 0.7668137 -0.3558357 -0.8399111), wk = 0.0025000 k( 116) = ( 0.7621328 -0.3473370 -0.8238159), wk = 0.0025000 k( 117) = ( 0.7574519 -0.3388384 -0.8077206), wk = 0.0025000 k( 118) = ( 0.7527709 -0.3303397 -0.7916254), wk = 0.0025000 k( 119) = ( 0.7480900 -0.3218410 -0.7755302), wk = 0.0025000 k( 120) = ( 0.7434090 -0.3133423 -0.7594350), wk = 0.0025000 k( 121) = ( 0.7387281 -0.3048436 -0.7433398), wk = 0.0025000 k( 122) = ( 0.7340471 -0.2963450 -0.7272446), wk = 0.0025000 k( 123) = ( 0.7293662 -0.2878463 -0.7111494), wk = 0.0025000 k( 124) = ( 0.7246853 -0.2793476 -0.6950542), wk = 0.0025000 k( 125) = ( 0.7200043 -0.2708489 -0.6789589), wk = 0.0025000 k( 126) = ( 0.7153234 -0.2623503 -0.6628637), wk = 0.0025000 k( 127) = ( 0.7106424 -0.2538516 -0.6467685), wk = 0.0025000 k( 128) = ( 0.7059615 -0.2453529 -0.6306733), wk = 0.0025000 k( 129) = ( 0.7012805 -0.2368542 -0.6145781), wk = 0.0025000 k( 130) = ( 0.6965996 -0.2283556 -0.5984829), wk = 0.0025000 k( 131) = ( 0.6919187 -0.2198569 -0.5823877), wk = 0.0025000 k( 132) = ( 0.6872377 -0.2113582 -0.5662925), wk = 0.0025000 k( 133) = ( 0.6825568 -0.2028595 -0.5501973), wk = 0.0025000 k( 134) = ( 0.6778758 -0.1943608 -0.5341021), wk = 0.0025000 k( 135) = ( 0.6731949 -0.1858622 -0.5180068), wk = 0.0025000 k( 136) = ( 0.6685139 -0.1773635 -0.5019116), wk = 0.0025000 k( 137) = ( 0.6638330 -0.1688648 -0.4858164), wk = 0.0025000 k( 138) = ( 0.6591521 -0.1603661 -0.4697212), wk = 0.0025000 k( 139) = ( 0.6544711 -0.1518674 -0.4536260), wk = 0.0025000 k( 140) = ( 0.6497902 -0.1433688 -0.4375308), wk = 0.0025000 k( 141) = ( 0.6451092 -0.1348701 -0.4214356), wk = 0.0025000 k( 142) = ( 0.6404283 -0.1263714 -0.4053404), wk = 0.0025000 k( 143) = ( 0.6357473 -0.1178727 -0.3892452), wk = 0.0025000 k( 144) = ( 0.6310664 -0.1093741 -0.3731500), wk = 0.0025000 k( 145) = ( 0.6263855 -0.1008754 -0.3570548), wk = 0.0025000 k( 146) = ( 0.6217045 -0.0923767 -0.3409595), wk = 0.0025000 k( 147) = ( 0.6170236 -0.0838780 -0.3248643), wk = 0.0025000 k( 148) = ( 0.6123426 -0.0753794 -0.3087691), wk = 0.0025000 k( 149) = ( 0.6076617 -0.0668807 -0.2926739), wk = 0.0025000 k( 150) = ( 0.6029807 -0.0583820 -0.2765787), wk = 0.0025000 k( 151) = ( 0.5982998 -0.0498833 -0.2604835), wk = 0.0025000 k( 152) = ( 0.5936189 -0.0413846 -0.2443883), wk = 0.0025000 k( 153) = ( 0.5889379 -0.0328860 -0.2282930), wk = 0.0025000 k( 154) = ( 0.5842570 -0.0243873 -0.2121978), wk = 0.0025000 k( 155) = ( 0.5795760 -0.0158886 -0.1961026), wk = 0.0025000 k( 156) = ( 0.5748951 -0.0073899 -0.1800074), wk = 0.0025000 k( 157) = ( 0.5702141 0.0011088 -0.1639122), wk = 0.0025000 k( 158) = ( 0.5655332 0.0096074 -0.1478170), wk = 0.0025000 k( 159) = ( 0.5608523 0.0181061 -0.1317218), wk = 0.0025000 k( 160) = ( 0.5561713 0.0266048 -0.1156266), wk = 0.0025000 k( 161) = ( 0.5514904 0.0351035 -0.0995314), wk = 0.0025000 k( 162) = ( 0.5468094 0.0436021 -0.0834362), wk = 0.0025000 k( 163) = ( 0.5421285 0.0521008 -0.0673410), wk = 0.0025000 k( 164) = ( 0.5374475 0.0605995 -0.0512457), wk = 0.0025000 k( 165) = ( 0.5327666 0.0690982 -0.0351505), wk = 0.0025000 k( 166) = ( 0.5280857 0.0775968 -0.0190553), wk = 0.0025000 k( 167) = ( 0.5234047 0.0860955 -0.0029601), wk = 0.0025000 k( 168) = ( 0.5187238 0.0945942 0.0131351), wk = 0.0025000 k( 169) = ( 0.5140428 0.1030929 0.0292303), wk = 0.0025000 k( 170) = ( 0.5093619 0.1115916 0.0453255), wk = 0.0025000 k( 171) = ( 0.5046809 0.1200902 0.0614208), wk = 0.0025000 k( 172) = ( 0.5000000 0.1285889 0.0775160), wk = 0.0025000 k( 173) = ( 0.5000000 0.1285889 0.0775160), wk = 0.0025000 k( 174) = ( 0.4821429 0.1239965 0.0747475), wk = 0.0025000 k( 175) = ( 0.4642857 0.1194040 0.0719791), wk = 0.0025000 k( 176) = ( 0.4464286 0.1148115 0.0692107), wk = 0.0025000 k( 177) = ( 0.4285714 0.1102191 0.0664422), wk = 0.0025000 k( 178) = ( 0.4107143 0.1056266 0.0636738), wk = 0.0025000 k( 179) = ( 0.3928571 0.1010341 0.0609054), wk = 0.0025000 k( 180) = ( 0.3750000 0.0964417 0.0581370), wk = 0.0025000 k( 181) = ( 0.3571429 0.0918492 0.0553685), wk = 0.0025000 k( 182) = ( 0.3392857 0.0872568 0.0526001), wk = 0.0025000 k( 183) = ( 0.3214286 0.0826643 0.0498317), wk = 0.0025000 k( 184) = ( 0.3035714 0.0780718 0.0470633), wk = 0.0025000 k( 185) = ( 0.2857143 0.0734794 0.0442948), wk = 0.0025000 k( 186) = ( 0.2678571 0.0688869 0.0415264), wk = 0.0025000 k( 187) = ( 0.2500000 0.0642945 0.0387580), wk = 0.0025000 k( 188) = ( 0.2321429 0.0597020 0.0359896), wk = 0.0025000 k( 189) = ( 0.2142857 0.0551095 0.0332211), wk = 0.0025000 k( 190) = ( 0.1964286 0.0505171 0.0304527), wk = 0.0025000 k( 191) = ( 0.1785714 0.0459246 0.0276843), wk = 0.0025000 k( 192) = ( 0.1607143 0.0413322 0.0249158), wk = 0.0025000 k( 193) = ( 0.1428571 0.0367397 0.0221474), wk = 0.0025000 k( 194) = ( 0.1250000 0.0321472 0.0193790), wk = 0.0025000 k( 195) = ( 0.1071429 0.0275548 0.0166106), wk = 0.0025000 k( 196) = ( 0.0892857 0.0229623 0.0138421), wk = 0.0025000 k( 197) = ( 0.0714286 0.0183698 0.0110737), wk = 0.0025000 k( 198) = ( 0.0535714 0.0137774 0.0083053), wk = 0.0025000 k( 199) = ( 0.0357143 0.0091849 0.0055369), wk = 0.0025000 k( 200) = ( 0.0178571 0.0045925 0.0027684), wk = 0.0025000 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 203) = ( 0.0047340 -0.0085950 -0.0162776), wk = 0.0025000 k( 204) = ( 0.0094680 -0.0171900 -0.0325553), wk = 0.0025000 k( 205) = ( 0.0142020 -0.0257850 -0.0488329), wk = 0.0025000 k( 206) = ( 0.0189360 -0.0343800 -0.0651106), wk = 0.0025000 k( 207) = ( 0.0236700 -0.0429750 -0.0813882), wk = 0.0025000 k( 208) = ( 0.0284040 -0.0515700 -0.0976659), wk = 0.0025000 k( 209) = ( 0.0331380 -0.0601650 -0.1139435), wk = 0.0025000 k( 210) = ( 0.0378720 -0.0687600 -0.1302211), wk = 0.0025000 k( 211) = ( 0.0426060 -0.0773551 -0.1464988), wk = 0.0025000 k( 212) = ( 0.0473400 -0.0859501 -0.1627764), wk = 0.0025000 k( 213) = ( 0.0520740 -0.0945451 -0.1790541), wk = 0.0025000 k( 214) = ( 0.0568080 -0.1031401 -0.1953317), wk = 0.0025000 k( 215) = ( 0.0615420 -0.1117351 -0.2116094), wk = 0.0025000 k( 216) = ( 0.0662760 -0.1203301 -0.2278870), wk = 0.0025000 k( 217) = ( 0.0710100 -0.1289251 -0.2441646), wk = 0.0025000 k( 218) = ( 0.0757440 -0.1375201 -0.2604423), wk = 0.0025000 k( 219) = ( 0.0804780 -0.1461151 -0.2767199), wk = 0.0025000 k( 220) = ( 0.0852120 -0.1547101 -0.2929976), wk = 0.0025000 k( 221) = ( 0.0899460 -0.1633051 -0.3092752), wk = 0.0025000 k( 222) = ( 0.0946800 -0.1719001 -0.3255528), wk = 0.0025000 k( 223) = ( 0.0994140 -0.1804951 -0.3418305), wk = 0.0025000 k( 224) = ( 0.1041480 -0.1890901 -0.3581081), wk = 0.0025000 k( 225) = ( 0.1088820 -0.1976851 -0.3743858), wk = 0.0025000 k( 226) = ( 0.1136160 -0.2062802 -0.3906634), wk = 0.0025000 k( 227) = ( 0.1183500 -0.2148752 -0.4069411), wk = 0.0025000 k( 228) = ( 0.1230840 -0.2234702 -0.4232187), wk = 0.0025000 k( 229) = ( 0.1278180 -0.2320652 -0.4394964), wk = 0.0025000 k( 230) = ( 0.1325520 -0.2406602 -0.4557740), wk = 0.0025000 k( 231) = ( 0.1372860 -0.2492552 -0.4720517), wk = 0.0025000 k( 232) = ( 0.1420200 -0.2578502 -0.4883293), wk = 0.0025000 k( 233) = ( 0.1467540 -0.2664452 -0.5046069), wk = 0.0025000 k( 234) = ( 0.1514880 -0.2750402 -0.5208846), wk = 0.0025000 k( 235) = ( 0.1562220 -0.2836352 -0.5371622), wk = 0.0025000 k( 236) = ( 0.1609560 -0.2922302 -0.5534398), wk = 0.0025000 k( 237) = ( 0.1656900 -0.3008252 -0.5697175), wk = 0.0025000 k( 238) = ( 0.1704240 -0.3094202 -0.5859951), wk = 0.0025000 k( 239) = ( 0.1751580 -0.3180152 -0.6022728), wk = 0.0025000 k( 240) = ( 0.1798920 -0.3266103 -0.6185504), wk = 0.0025000 k( 241) = ( 0.1846260 -0.3352053 -0.6348281), wk = 0.0025000 k( 242) = ( 0.1893600 -0.3438003 -0.6511057), wk = 0.0025000 k( 243) = ( 0.1940940 -0.3523953 -0.6673834), wk = 0.0025000 k( 244) = ( 0.1988280 -0.3609903 -0.6836610), wk = 0.0025000 k( 245) = ( 0.2035620 -0.3695853 -0.6999387), wk = 0.0025000 k( 246) = ( 0.2082960 -0.3781803 -0.7162163), wk = 0.0025000 k( 247) = ( 0.2130300 -0.3867753 -0.7324939), wk = 0.0025000 k( 248) = ( 0.2177640 -0.3953703 -0.7487716), wk = 0.0025000 k( 249) = ( 0.2224980 -0.4039653 -0.7650492), wk = 0.0025000 k( 250) = ( 0.2272320 -0.4125603 -0.7813269), wk = 0.0025000 k( 251) = ( 0.2319660 -0.4211553 -0.7976045), wk = 0.0025000 k( 252) = ( 0.2367000 -0.4297503 -0.8138821), wk = 0.0025000 k( 253) = ( 0.2414340 -0.4383453 -0.8301598), wk = 0.0025000 k( 254) = ( 0.2461680 -0.4469403 -0.8464374), wk = 0.0025000 k( 255) = ( 0.2509020 -0.4555354 -0.8627151), wk = 0.0025000 k( 256) = ( 0.2556360 -0.4641304 -0.8789927), wk = 0.0025000 k( 257) = ( 0.2603700 -0.4727254 -0.8952704), wk = 0.0025000 k( 258) = ( 0.2651040 -0.4813204 -0.9115480), wk = 0.0025000 k( 259) = ( 0.2698380 -0.4899154 -0.9278257), wk = 0.0025000 k( 260) = ( 0.2745720 -0.4985104 -0.9441033), wk = 0.0025000 k( 261) = ( 0.2793060 -0.5071054 -0.9603809), wk = 0.0025000 k( 262) = ( 0.2840399 -0.5157004 -0.9766586), wk = 0.0025000 k( 263) = ( 0.2887740 -0.5242954 -0.9929362), wk = 0.0025000 k( 264) = ( 0.2935080 -0.5328904 -1.0092139), wk = 0.0025000 k( 265) = ( 0.2982419 -0.5414854 -1.0254915), wk = 0.0025000 k( 266) = ( 0.3029759 -0.5500804 -1.0417691), wk = 0.0025000 k( 267) = ( 0.3077100 -0.5586754 -1.0580468), wk = 0.0025000 k( 268) = ( 0.3124440 -0.5672704 -1.0743244), wk = 0.0025000 k( 269) = ( 0.3171779 -0.5758654 -1.0906021), wk = 0.0025000 k( 270) = ( 0.3219120 -0.5844605 -1.1068797), wk = 0.0025000 k( 271) = ( 0.3266460 -0.5930555 -1.1231574), wk = 0.0025000 k( 272) = ( 0.3313799 -0.6016505 -1.1394350), wk = 0.0025000 k( 273) = ( 0.3361139 -0.6102455 -1.1557127), wk = 0.0025000 k( 274) = ( 0.3408479 -0.6188405 -1.1719903), wk = 0.0025000 k( 275) = ( 0.6591521 -0.4902516 -1.0944743), wk = 0.0025000 k( 276) = ( 0.6544711 -0.4720504 -1.0944743), wk = 0.0025000 k( 277) = ( 0.6497902 -0.4538492 -1.0944743), wk = 0.0025000 k( 278) = ( 0.6451092 -0.4356480 -1.0944743), wk = 0.0025000 k( 279) = ( 0.6404283 -0.4174468 -1.0944743), wk = 0.0025000 k( 280) = ( 0.6357473 -0.3992456 -1.0944743), wk = 0.0025000 k( 281) = ( 0.6310664 -0.3810444 -1.0944743), wk = 0.0025000 k( 282) = ( 0.6263855 -0.3628432 -1.0944743), wk = 0.0025000 k( 283) = ( 0.6217045 -0.3446420 -1.0944743), wk = 0.0025000 k( 284) = ( 0.6170236 -0.3264408 -1.0944743), wk = 0.0025000 k( 285) = ( 0.6123426 -0.3082397 -1.0944743), wk = 0.0025000 k( 286) = ( 0.6076617 -0.2900384 -1.0944743), wk = 0.0025000 k( 287) = ( 0.6029807 -0.2718373 -1.0944743), wk = 0.0025000 k( 288) = ( 0.5982998 -0.2536361 -1.0944743), wk = 0.0025000 k( 289) = ( 0.5936189 -0.2354349 -1.0944743), wk = 0.0025000 k( 290) = ( 0.5889379 -0.2172337 -1.0944743), wk = 0.0025000 k( 291) = ( 0.5842570 -0.1990325 -1.0944743), wk = 0.0025000 k( 292) = ( 0.5795760 -0.1808313 -1.0944743), wk = 0.0025000 k( 293) = ( 0.5748951 -0.1626302 -1.0944743), wk = 0.0025000 k( 294) = ( 0.5702141 -0.1444289 -1.0944743), wk = 0.0025000 k( 295) = ( 0.5655332 -0.1262278 -1.0944743), wk = 0.0025000 k( 296) = ( 0.5608523 -0.1080266 -1.0944743), wk = 0.0025000 k( 297) = ( 0.5561713 -0.0898254 -1.0944743), wk = 0.0025000 k( 298) = ( 0.5514904 -0.0716242 -1.0944743), wk = 0.0025000 k( 299) = ( 0.5468094 -0.0534230 -1.0944743), wk = 0.0025000 k( 300) = ( 0.5421285 -0.0352218 -1.0944743), wk = 0.0025000 k( 301) = ( 0.5374475 -0.0170206 -1.0944743), wk = 0.0025000 k( 302) = ( 0.5327666 0.0011806 -1.0944743), wk = 0.0025000 k( 303) = ( 0.5280857 0.0193818 -1.0944743), wk = 0.0025000 k( 304) = ( 0.5234047 0.0375830 -1.0944743), wk = 0.0025000 k( 305) = ( 0.5187238 0.0557842 -1.0944743), wk = 0.0025000 k( 306) = ( 0.5140428 0.0739853 -1.0944743), wk = 0.0025000 k( 307) = ( 0.5093619 0.0921865 -1.0944743), wk = 0.0025000 k( 308) = ( 0.5046809 0.1103877 -1.0944743), wk = 0.0025000 k( 309) = ( 0.5000000 0.1285889 -1.0944743), wk = 0.0025000 k( 310) = ( 0.5000000 0.1285889 -1.0944743), wk = 0.0025000 k( 311) = ( 0.5159152 0.1326820 -1.0867227), wk = 0.0025000 k( 312) = ( 0.5318304 0.1367750 -1.0789711), wk = 0.0025000 k( 313) = ( 0.5477456 0.1408680 -1.0712196), wk = 0.0025000 k( 314) = ( 0.5636608 0.1449611 -1.0634679), wk = 0.0025000 k( 315) = ( 0.5795760 0.1490541 -1.0557164), wk = 0.0025000 k( 316) = ( 0.5954912 0.1531471 -1.0479648), wk = 0.0025000 k( 317) = ( 0.6114064 0.1572402 -1.0402132), wk = 0.0025000 k( 318) = ( 0.6273216 0.1613332 -1.0324616), wk = 0.0025000 k( 319) = ( 0.6432368 0.1654263 -1.0247100), wk = 0.0025000 k( 320) = ( 0.6591521 0.1695193 -1.0169584), wk = 0.0025000 k( 321) = ( 0.6591521 0.1695193 -1.0169584), wk = 0.0025000 k( 322) = ( 0.6564546 0.1688256 -0.9984080), wk = 0.0025000 k( 323) = ( 0.6537571 0.1681318 -0.9798576), wk = 0.0025000 k( 324) = ( 0.6510596 0.1674381 -0.9613072), wk = 0.0025000 k( 325) = ( 0.6483621 0.1667444 -0.9427567), wk = 0.0025000 k( 326) = ( 0.6456646 0.1660506 -0.9242063), wk = 0.0025000 k( 327) = ( 0.6429671 0.1653569 -0.9056559), wk = 0.0025000 k( 328) = ( 0.6402696 0.1646632 -0.8871055), wk = 0.0025000 k( 329) = ( 0.6375721 0.1639694 -0.8685551), wk = 0.0025000 k( 330) = ( 0.6348746 0.1632757 -0.8500047), wk = 0.0025000 k( 331) = ( 0.6321771 0.1625819 -0.8314543), wk = 0.0025000 k( 332) = ( 0.6294796 0.1618882 -0.8129039), wk = 0.0025000 k( 333) = ( 0.6267822 0.1611945 -0.7943534), wk = 0.0025000 k( 334) = ( 0.6240847 0.1605007 -0.7758030), wk = 0.0025000 k( 335) = ( 0.6213872 0.1598070 -0.7572526), wk = 0.0025000 k( 336) = ( 0.6186897 0.1591133 -0.7387022), wk = 0.0025000 k( 337) = ( 0.6159922 0.1584195 -0.7201518), wk = 0.0025000 k( 338) = ( 0.6132947 0.1577258 -0.7016014), wk = 0.0025000 k( 339) = ( 0.6105972 0.1570321 -0.6830510), wk = 0.0025000 k( 340) = ( 0.6078997 0.1563383 -0.6645006), wk = 0.0025000 k( 341) = ( 0.6052022 0.1556446 -0.6459501), wk = 0.0025000 k( 342) = ( 0.6025047 0.1549509 -0.6273997), wk = 0.0025000 k( 343) = ( 0.5998072 0.1542571 -0.6088493), wk = 0.0025000 k( 344) = ( 0.5971097 0.1535634 -0.5902989), wk = 0.0025000 k( 345) = ( 0.5944122 0.1528697 -0.5717485), wk = 0.0025000 k( 346) = ( 0.5917147 0.1521759 -0.5531981), wk = 0.0025000 k( 347) = ( 0.5890173 0.1514822 -0.5346476), wk = 0.0025000 k( 348) = ( 0.5863198 0.1507884 -0.5160973), wk = 0.0025000 k( 349) = ( 0.5836223 0.1500947 -0.4975468), wk = 0.0025000 k( 350) = ( 0.5809248 0.1494010 -0.4789964), wk = 0.0025000 k( 351) = ( 0.5782273 0.1487072 -0.4604460), wk = 0.0025000 k( 352) = ( 0.5755298 0.1480135 -0.4418956), wk = 0.0025000 k( 353) = ( 0.5728323 0.1473198 -0.4233452), wk = 0.0025000 k( 354) = ( 0.5701348 0.1466260 -0.4047948), wk = 0.0025000 k( 355) = ( 0.5674373 0.1459323 -0.3862443), wk = 0.0025000 k( 356) = ( 0.5647398 0.1452386 -0.3676940), wk = 0.0025000 k( 357) = ( 0.5620423 0.1445448 -0.3491435), wk = 0.0025000 k( 358) = ( 0.5593448 0.1438511 -0.3305931), wk = 0.0025000 k( 359) = ( 0.5566473 0.1431574 -0.3120427), wk = 0.0025000 k( 360) = ( 0.5539498 0.1424636 -0.2934923), wk = 0.0025000 k( 361) = ( 0.5512524 0.1417699 -0.2749419), wk = 0.0025000 k( 362) = ( 0.5485549 0.1410762 -0.2563915), wk = 0.0025000 k( 363) = ( 0.5458574 0.1403824 -0.2378410), wk = 0.0025000 k( 364) = ( 0.5431599 0.1396887 -0.2192907), wk = 0.0025000 k( 365) = ( 0.5404624 0.1389949 -0.2007402), wk = 0.0025000 k( 366) = ( 0.5377649 0.1383012 -0.1821898), wk = 0.0025000 k( 367) = ( 0.5350674 0.1376075 -0.1636394), wk = 0.0025000 k( 368) = ( 0.5323699 0.1369137 -0.1450890), wk = 0.0025000 k( 369) = ( 0.5296724 0.1362200 -0.1265386), wk = 0.0025000 k( 370) = ( 0.5269749 0.1355263 -0.1079882), wk = 0.0025000 k( 371) = ( 0.5242774 0.1348325 -0.0894377), wk = 0.0025000 k( 372) = ( 0.5215799 0.1341388 -0.0708873), wk = 0.0025000 k( 373) = ( 0.5188824 0.1334451 -0.0523369), wk = 0.0025000 k( 374) = ( 0.5161849 0.1327513 -0.0337865), wk = 0.0025000 k( 375) = ( 0.5134875 0.1320576 -0.0152361), wk = 0.0025000 k( 376) = ( 0.5107900 0.1313639 0.0033143), wk = 0.0025000 k( 377) = ( 0.5080925 0.1306701 0.0218647), wk = 0.0025000 k( 378) = ( 0.5053950 0.1299764 0.0404151), wk = 0.0025000 k( 379) = ( 0.5026975 0.1292827 0.0589656), wk = 0.0025000 k( 380) = ( 0.5000000 0.1285889 0.0775160), wk = 0.0025000 k( 381) = ( 0.5000000 -0.9077955 -0.5472372), wk = 0.0025000 k( 382) = ( 0.5167529 -0.9010277 -0.5431574), wk = 0.0025000 k( 383) = ( 0.5335057 -0.8942599 -0.5390776), wk = 0.0025000 k( 384) = ( 0.5502585 -0.8874920 -0.5349978), wk = 0.0025000 k( 385) = ( 0.5670114 -0.8807242 -0.5309180), wk = 0.0025000 k( 386) = ( 0.5837642 -0.8739563 -0.5268382), wk = 0.0025000 k( 387) = ( 0.6005171 -0.8671885 -0.5227585), wk = 0.0025000 k( 388) = ( 0.6172699 -0.8604207 -0.5186787), wk = 0.0025000 k( 389) = ( 0.6340228 -0.8536528 -0.5145989), wk = 0.0025000 k( 390) = ( 0.6507756 -0.8468850 -0.5105191), wk = 0.0025000 k( 391) = ( 0.6675285 -0.8401172 -0.5064393), wk = 0.0025000 k( 392) = ( 0.6842813 -0.8333493 -0.5023595), wk = 0.0025000 k( 393) = ( 0.7010342 -0.8265815 -0.4982797), wk = 0.0025000 k( 394) = ( 0.7177870 -0.8198136 -0.4941999), wk = 0.0025000 k( 395) = ( 0.7345399 -0.8130458 -0.4901201), wk = 0.0025000 k( 396) = ( 0.7512927 -0.8062780 -0.4860404), wk = 0.0025000 k( 397) = ( 0.7680456 -0.7995101 -0.4819606), wk = 0.0025000 k( 398) = ( 0.7847984 -0.7927423 -0.4778808), wk = 0.0025000 k( 399) = ( 0.8015513 -0.7859744 -0.4738010), wk = 0.0025000 k( 400) = ( 0.8183041 -0.7792066 -0.4697212), wk = 0.0025000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0080645 0.0000000 0.0000000), wk = 0.0025000 k( 3) = ( 0.0161290 0.0000000 0.0000000), wk = 0.0025000 k( 4) = ( 0.0241936 0.0000000 0.0000000), wk = 0.0025000 k( 5) = ( 0.0322581 0.0000000 0.0000000), wk = 0.0025000 k( 6) = ( 0.0403226 0.0000000 0.0000000), wk = 0.0025000 k( 7) = ( 0.0483871 0.0000000 0.0000000), wk = 0.0025000 k( 8) = ( 0.0564516 -0.0000000 0.0000000), wk = 0.0025000 k( 9) = ( 0.0645161 0.0000000 0.0000000), wk = 0.0025000 k( 10) = ( 0.0725806 0.0000000 0.0000000), wk = 0.0025000 k( 11) = ( 0.0806452 0.0000000 0.0000000), wk = 0.0025000 k( 12) = ( 0.0887097 0.0000000 0.0000000), wk = 0.0025000 k( 13) = ( 0.0967742 0.0000000 0.0000000), wk = 0.0025000 k( 14) = ( 0.1048387 0.0000000 -0.0000000), wk = 0.0025000 k( 15) = ( 0.1129032 0.0000000 0.0000000), wk = 0.0025000 k( 16) = ( 0.1209677 0.0000000 0.0000000), wk = 0.0025000 k( 17) = ( 0.1290323 0.0000000 0.0000000), wk = 0.0025000 k( 18) = ( 0.1370968 0.0000000 0.0000000), wk = 0.0025000 k( 19) = ( 0.1451613 0.0000000 0.0000000), wk = 0.0025000 k( 20) = ( 0.1532258 -0.0000000 0.0000000), wk = 0.0025000 k( 21) = ( 0.1612903 0.0000000 0.0000000), wk = 0.0025000 k( 22) = ( 0.1693548 0.0000000 0.0000000), wk = 0.0025000 k( 23) = ( 0.1774194 -0.0000000 0.0000000), wk = 0.0025000 k( 24) = ( 0.1854839 0.0000000 0.0000000), wk = 0.0025000 k( 25) = ( 0.1935484 0.0000000 0.0000000), wk = 0.0025000 k( 26) = ( 0.2016129 0.0000000 0.0000000), wk = 0.0025000 k( 27) = ( 0.2096774 0.0000000 -0.0000000), wk = 0.0025000 k( 28) = ( 0.2177419 0.0000000 0.0000000), wk = 0.0025000 k( 29) = ( 0.2258064 0.0000000 0.0000000), wk = 0.0025000 k( 30) = ( 0.2338710 0.0000000 0.0000000), wk = 0.0025000 k( 31) = ( 0.2419355 0.0000000 0.0000000), wk = 0.0025000 k( 32) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0025000 k( 33) = ( 0.2580645 0.0000000 0.0000000), wk = 0.0025000 k( 34) = ( 0.2661290 0.0000000 0.0000000), wk = 0.0025000 k( 35) = ( 0.2741936 0.0000000 0.0000000), wk = 0.0025000 k( 36) = ( 0.2822581 -0.0000000 0.0000000), wk = 0.0025000 k( 37) = ( 0.2903226 0.0000000 0.0000000), wk = 0.0025000 k( 38) = ( 0.2983871 0.0000000 0.0000000), wk = 0.0025000 k( 39) = ( 0.3064516 0.0000000 -0.0000000), wk = 0.0025000 k( 40) = ( 0.3145161 -0.0000000 0.0000000), wk = 0.0025000 k( 41) = ( 0.3225807 0.0000000 0.0000000), wk = 0.0025000 k( 42) = ( 0.3306452 0.0000000 0.0000000), wk = 0.0025000 k( 43) = ( 0.3387097 0.0000000 0.0000000), wk = 0.0025000 k( 44) = ( 0.3467742 0.0000000 -0.0000000), wk = 0.0025000 k( 45) = ( 0.3548387 0.0000000 0.0000000), wk = 0.0025000 k( 46) = ( 0.3629032 0.0000000 0.0000000), wk = 0.0025000 k( 47) = ( 0.3709677 0.0000000 0.0000000), wk = 0.0025000 k( 48) = ( 0.3790323 0.0000000 0.0000000), wk = 0.0025000 k( 49) = ( 0.3870968 0.0000000 0.0000000), wk = 0.0025000 k( 50) = ( 0.3951613 0.0000000 0.0000000), wk = 0.0025000 k( 51) = ( 0.4032258 0.0000000 0.0000000), wk = 0.0025000 k( 52) = ( 0.4112903 0.0000000 0.0000000), wk = 0.0025000 k( 53) = ( 0.4193548 0.0000000 -0.0000000), wk = 0.0025000 k( 54) = ( 0.4274193 0.0000000 0.0000000), wk = 0.0025000 k( 55) = ( 0.4354839 -0.0000000 -0.0000000), wk = 0.0025000 k( 56) = ( 0.4435484 0.0000000 0.0000000), wk = 0.0025000 k( 57) = ( 0.4516129 0.0000000 0.0000000), wk = 0.0025000 k( 58) = ( 0.4596774 0.0000000 0.0000000), wk = 0.0025000 k( 59) = ( 0.4677419 0.0000000 0.0000000), wk = 0.0025000 k( 60) = ( 0.4758064 0.0000000 -0.0000000), wk = 0.0025000 k( 61) = ( 0.4838710 0.0000000 0.0000000), wk = 0.0025000 k( 62) = ( 0.4919355 0.0000000 0.0000000), wk = 0.0025000 k( 63) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025000 k( 64) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025000 k( 65) = ( 0.5000000 0.0046589 -0.0046589), wk = 0.0025000 k( 66) = ( 0.5000000 0.0093177 -0.0093177), wk = 0.0025000 k( 67) = ( 0.5000000 0.0139766 -0.0139766), wk = 0.0025000 k( 68) = ( 0.5000000 0.0186355 -0.0186355), wk = 0.0025000 k( 69) = ( 0.5000000 0.0232943 -0.0232943), wk = 0.0025000 k( 70) = ( 0.5000000 0.0279532 -0.0279532), wk = 0.0025000 k( 71) = ( 0.5000000 0.0326121 -0.0326121), wk = 0.0025000 k( 72) = ( 0.5000000 0.0372710 -0.0372709), wk = 0.0025000 k( 73) = ( 0.5000000 0.0419298 -0.0419298), wk = 0.0025000 k( 74) = ( 0.5000000 0.0465887 -0.0465887), wk = 0.0025000 k( 75) = ( 0.5000000 0.0512476 -0.0512476), wk = 0.0025000 k( 76) = ( 0.5000000 0.0559064 -0.0559064), wk = 0.0025000 k( 77) = ( 0.5000000 0.0605653 -0.0605653), wk = 0.0025000 k( 78) = ( 0.5000000 0.0652242 -0.0652242), wk = 0.0025000 k( 79) = ( 0.5000000 0.0698830 -0.0698830), wk = 0.0025000 k( 80) = ( 0.5000000 0.0745419 -0.0745419), wk = 0.0025000 k( 81) = ( 0.5000000 0.0792008 -0.0792008), wk = 0.0025000 k( 82) = ( 0.5000000 0.0838596 -0.0838596), wk = 0.0025000 k( 83) = ( 0.5000000 0.0885185 -0.0885185), wk = 0.0025000 k( 84) = ( 0.5000000 0.0931774 -0.0931774), wk = 0.0025000 k( 85) = ( 0.5000000 0.0978363 -0.0978362), wk = 0.0025000 k( 86) = ( 0.5000000 0.1024951 -0.1024951), wk = 0.0025000 k( 87) = ( 0.5000000 0.1071540 -0.1071540), wk = 0.0025000 k( 88) = ( 0.5000000 0.1118129 -0.1118128), wk = 0.0025000 k( 89) = ( 0.5000000 0.1164717 -0.1164717), wk = 0.0025000 k( 90) = ( 0.5000000 0.1211306 -0.1211306), wk = 0.0025000 k( 91) = ( 0.5000000 0.1257895 -0.1257895), wk = 0.0025000 k( 92) = ( 0.5000000 0.1304483 -0.1304483), wk = 0.0025000 k( 93) = ( 0.5000000 0.1351072 -0.1351072), wk = 0.0025000 k( 94) = ( 0.5000000 0.1397661 -0.1397661), wk = 0.0025000 k( 95) = ( 0.5000000 0.1444249 -0.1444249), wk = 0.0025000 k( 96) = ( 0.5000000 0.1490838 -0.1490838), wk = 0.0025000 k( 97) = ( 0.5000000 0.1537427 -0.1537427), wk = 0.0025000 k( 98) = ( 0.5000000 0.1584015 -0.1584015), wk = 0.0025000 k( 99) = ( 0.5000000 0.1630604 -0.1630604), wk = 0.0025000 k( 100) = ( 0.5000000 0.1677193 -0.1677193), wk = 0.0025000 k( 101) = ( 0.5000000 0.1723782 -0.1723782), wk = 0.0025000 k( 102) = ( 0.5000000 0.1770370 -0.1770370), wk = 0.0025000 k( 103) = ( 0.5000000 0.1816959 -0.1816959), wk = 0.0025000 k( 104) = ( 0.8183041 0.5000000 0.1816959), wk = 0.0025000 k( 105) = ( 0.8136232 0.5000000 0.1863768), wk = 0.0025000 k( 106) = ( 0.8089422 0.5000000 0.1910578), wk = 0.0025000 k( 107) = ( 0.8042613 0.5000000 0.1957387), wk = 0.0025000 k( 108) = ( 0.7995803 0.5000000 0.2004197), wk = 0.0025000 k( 109) = ( 0.7948994 0.5000000 0.2051006), wk = 0.0025000 k( 110) = ( 0.7902185 0.5000000 0.2097816), wk = 0.0025000 k( 111) = ( 0.7855375 0.5000000 0.2144625), wk = 0.0025000 k( 112) = ( 0.7808566 0.5000000 0.2191434), wk = 0.0025000 k( 113) = ( 0.7761756 0.5000000 0.2238244), wk = 0.0025000 k( 114) = ( 0.7714947 0.5000000 0.2285053), wk = 0.0025000 k( 115) = ( 0.7668137 0.5000000 0.2331863), wk = 0.0025000 k( 116) = ( 0.7621328 0.5000000 0.2378672), wk = 0.0025000 k( 117) = ( 0.7574519 0.5000000 0.2425481), wk = 0.0025000 k( 118) = ( 0.7527709 0.5000000 0.2472291), wk = 0.0025000 k( 119) = ( 0.7480900 0.5000000 0.2519100), wk = 0.0025000 k( 120) = ( 0.7434090 0.5000000 0.2565910), wk = 0.0025000 k( 121) = ( 0.7387281 0.5000000 0.2612719), wk = 0.0025000 k( 122) = ( 0.7340471 0.5000000 0.2659529), wk = 0.0025000 k( 123) = ( 0.7293662 0.5000000 0.2706338), wk = 0.0025000 k( 124) = ( 0.7246853 0.5000000 0.2753147), wk = 0.0025000 k( 125) = ( 0.7200043 0.5000000 0.2799957), wk = 0.0025000 k( 126) = ( 0.7153234 0.5000000 0.2846766), wk = 0.0025000 k( 127) = ( 0.7106424 0.5000000 0.2893576), wk = 0.0025000 k( 128) = ( 0.7059615 0.5000000 0.2940385), wk = 0.0025000 k( 129) = ( 0.7012805 0.5000000 0.2987195), wk = 0.0025000 k( 130) = ( 0.6965996 0.5000000 0.3034004), wk = 0.0025000 k( 131) = ( 0.6919187 0.5000000 0.3080813), wk = 0.0025000 k( 132) = ( 0.6872377 0.5000000 0.3127623), wk = 0.0025000 k( 133) = ( 0.6825568 0.5000000 0.3174432), wk = 0.0025000 k( 134) = ( 0.6778758 0.5000000 0.3221242), wk = 0.0025000 k( 135) = ( 0.6731949 0.5000000 0.3268051), wk = 0.0025000 k( 136) = ( 0.6685139 0.5000000 0.3314861), wk = 0.0025000 k( 137) = ( 0.6638330 0.5000000 0.3361670), wk = 0.0025000 k( 138) = ( 0.6591521 0.5000000 0.3408479), wk = 0.0025000 k( 139) = ( 0.6544711 0.5000000 0.3455289), wk = 0.0025000 k( 140) = ( 0.6497902 0.5000000 0.3502098), wk = 0.0025000 k( 141) = ( 0.6451092 0.5000000 0.3548908), wk = 0.0025000 k( 142) = ( 0.6404283 0.5000000 0.3595717), wk = 0.0025000 k( 143) = ( 0.6357473 0.5000000 0.3642527), wk = 0.0025000 k( 144) = ( 0.6310664 0.5000000 0.3689336), wk = 0.0025000 k( 145) = ( 0.6263855 0.5000000 0.3736145), wk = 0.0025000 k( 146) = ( 0.6217045 0.5000000 0.3782955), wk = 0.0025000 k( 147) = ( 0.6170236 0.5000000 0.3829764), wk = 0.0025000 k( 148) = ( 0.6123426 0.5000000 0.3876574), wk = 0.0025000 k( 149) = ( 0.6076617 0.5000000 0.3923383), wk = 0.0025000 k( 150) = ( 0.6029807 0.5000000 0.3970193), wk = 0.0025000 k( 151) = ( 0.5982998 0.5000000 0.4017002), wk = 0.0025000 k( 152) = ( 0.5936189 0.5000000 0.4063811), wk = 0.0025000 k( 153) = ( 0.5889379 0.5000000 0.4110621), wk = 0.0025000 k( 154) = ( 0.5842570 0.5000000 0.4157430), wk = 0.0025000 k( 155) = ( 0.5795760 0.5000000 0.4204240), wk = 0.0025000 k( 156) = ( 0.5748951 0.5000000 0.4251049), wk = 0.0025000 k( 157) = ( 0.5702141 0.5000000 0.4297859), wk = 0.0025000 k( 158) = ( 0.5655332 0.5000000 0.4344668), wk = 0.0025000 k( 159) = ( 0.5608523 0.5000000 0.4391477), wk = 0.0025000 k( 160) = ( 0.5561713 0.5000000 0.4438287), wk = 0.0025000 k( 161) = ( 0.5514904 0.5000000 0.4485096), wk = 0.0025000 k( 162) = ( 0.5468094 0.5000000 0.4531906), wk = 0.0025000 k( 163) = ( 0.5421285 0.5000000 0.4578715), wk = 0.0025000 k( 164) = ( 0.5374475 0.5000000 0.4625525), wk = 0.0025000 k( 165) = ( 0.5327666 0.5000000 0.4672334), wk = 0.0025000 k( 166) = ( 0.5280857 0.5000000 0.4719143), wk = 0.0025000 k( 167) = ( 0.5234047 0.5000000 0.4765953), wk = 0.0025000 k( 168) = ( 0.5187238 0.5000000 0.4812762), wk = 0.0025000 k( 169) = ( 0.5140428 0.5000000 0.4859572), wk = 0.0025000 k( 170) = ( 0.5093619 0.5000000 0.4906381), wk = 0.0025000 k( 171) = ( 0.5046809 0.5000000 0.4953191), wk = 0.0025000 k( 172) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 174) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0025000 k( 175) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0025000 k( 176) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0025000 k( 177) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0025000 k( 178) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0025000 k( 179) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0025000 k( 180) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0025000 k( 181) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0025000 k( 182) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0025000 k( 183) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0025000 k( 184) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0025000 k( 185) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0025000 k( 186) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0025000 k( 187) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025000 k( 188) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0025000 k( 189) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0025000 k( 190) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0025000 k( 191) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0025000 k( 192) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0025000 k( 193) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0025000 k( 194) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0025000 k( 195) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0025000 k( 196) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0025000 k( 197) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0025000 k( 198) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0025000 k( 199) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0025000 k( 200) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0025000 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 203) = ( 0.0047340 0.0000000 -0.0047340), wk = 0.0025000 k( 204) = ( 0.0094680 0.0000000 -0.0094680), wk = 0.0025000 k( 205) = ( 0.0142020 -0.0000000 -0.0142020), wk = 0.0025000 k( 206) = ( 0.0189360 0.0000000 -0.0189360), wk = 0.0025000 k( 207) = ( 0.0236700 0.0000000 -0.0236700), wk = 0.0025000 k( 208) = ( 0.0284040 -0.0000000 -0.0284040), wk = 0.0025000 k( 209) = ( 0.0331380 0.0000000 -0.0331380), wk = 0.0025000 k( 210) = ( 0.0378720 0.0000000 -0.0378720), wk = 0.0025000 k( 211) = ( 0.0426060 0.0000000 -0.0426060), wk = 0.0025000 k( 212) = ( 0.0473400 0.0000000 -0.0473400), wk = 0.0025000 k( 213) = ( 0.0520740 0.0000000 -0.0520740), wk = 0.0025000 k( 214) = ( 0.0568080 0.0000000 -0.0568080), wk = 0.0025000 k( 215) = ( 0.0615420 0.0000000 -0.0615420), wk = 0.0025000 k( 216) = ( 0.0662760 0.0000000 -0.0662760), wk = 0.0025000 k( 217) = ( 0.0710100 0.0000000 -0.0710100), wk = 0.0025000 k( 218) = ( 0.0757440 0.0000000 -0.0757440), wk = 0.0025000 k( 219) = ( 0.0804780 0.0000000 -0.0804780), wk = 0.0025000 k( 220) = ( 0.0852120 0.0000000 -0.0852120), wk = 0.0025000 k( 221) = ( 0.0899460 0.0000000 -0.0899460), wk = 0.0025000 k( 222) = ( 0.0946800 0.0000000 -0.0946800), wk = 0.0025000 k( 223) = ( 0.0994140 0.0000000 -0.0994140), wk = 0.0025000 k( 224) = ( 0.1041480 0.0000000 -0.1041480), wk = 0.0025000 k( 225) = ( 0.1088820 -0.0000000 -0.1088820), wk = 0.0025000 k( 226) = ( 0.1136160 0.0000000 -0.1136160), wk = 0.0025000 k( 227) = ( 0.1183500 0.0000000 -0.1183500), wk = 0.0025000 k( 228) = ( 0.1230840 0.0000000 -0.1230840), wk = 0.0025000 k( 229) = ( 0.1278180 0.0000000 -0.1278180), wk = 0.0025000 k( 230) = ( 0.1325520 0.0000000 -0.1325520), wk = 0.0025000 k( 231) = ( 0.1372860 0.0000000 -0.1372860), wk = 0.0025000 k( 232) = ( 0.1420200 0.0000000 -0.1420200), wk = 0.0025000 k( 233) = ( 0.1467540 0.0000000 -0.1467540), wk = 0.0025000 k( 234) = ( 0.1514880 0.0000000 -0.1514880), wk = 0.0025000 k( 235) = ( 0.1562220 -0.0000000 -0.1562220), wk = 0.0025000 k( 236) = ( 0.1609560 0.0000000 -0.1609560), wk = 0.0025000 k( 237) = ( 0.1656900 0.0000000 -0.1656900), wk = 0.0025000 k( 238) = ( 0.1704240 -0.0000000 -0.1704240), wk = 0.0025000 k( 239) = ( 0.1751580 0.0000000 -0.1751580), wk = 0.0025000 k( 240) = ( 0.1798920 0.0000000 -0.1798920), wk = 0.0025000 k( 241) = ( 0.1846260 -0.0000000 -0.1846260), wk = 0.0025000 k( 242) = ( 0.1893600 -0.0000000 -0.1893600), wk = 0.0025000 k( 243) = ( 0.1940940 0.0000000 -0.1940940), wk = 0.0025000 k( 244) = ( 0.1988280 0.0000000 -0.1988280), wk = 0.0025000 k( 245) = ( 0.2035620 0.0000000 -0.2035620), wk = 0.0025000 k( 246) = ( 0.2082960 0.0000000 -0.2082960), wk = 0.0025000 k( 247) = ( 0.2130300 0.0000000 -0.2130300), wk = 0.0025000 k( 248) = ( 0.2177640 -0.0000000 -0.2177640), wk = 0.0025000 k( 249) = ( 0.2224980 0.0000000 -0.2224980), wk = 0.0025000 k( 250) = ( 0.2272320 0.0000000 -0.2272320), wk = 0.0025000 k( 251) = ( 0.2319660 -0.0000000 -0.2319660), wk = 0.0025000 k( 252) = ( 0.2367000 0.0000000 -0.2367000), wk = 0.0025000 k( 253) = ( 0.2414340 0.0000000 -0.2414340), wk = 0.0025000 k( 254) = ( 0.2461680 0.0000000 -0.2461680), wk = 0.0025000 k( 255) = ( 0.2509020 0.0000000 -0.2509020), wk = 0.0025000 k( 256) = ( 0.2556360 0.0000000 -0.2556360), wk = 0.0025000 k( 257) = ( 0.2603700 0.0000000 -0.2603700), wk = 0.0025000 k( 258) = ( 0.2651040 0.0000000 -0.2651040), wk = 0.0025000 k( 259) = ( 0.2698380 0.0000000 -0.2698380), wk = 0.0025000 k( 260) = ( 0.2745720 0.0000000 -0.2745720), wk = 0.0025000 k( 261) = ( 0.2793060 -0.0000000 -0.2793060), wk = 0.0025000 k( 262) = ( 0.2840399 -0.0000000 -0.2840399), wk = 0.0025000 k( 263) = ( 0.2887740 0.0000000 -0.2887740), wk = 0.0025000 k( 264) = ( 0.2935080 0.0000000 -0.2935079), wk = 0.0025000 k( 265) = ( 0.2982419 0.0000000 -0.2982419), wk = 0.0025000 k( 266) = ( 0.3029759 0.0000000 -0.3029759), wk = 0.0025000 k( 267) = ( 0.3077100 0.0000000 -0.3077099), wk = 0.0025000 k( 268) = ( 0.3124440 -0.0000000 -0.3124439), wk = 0.0025000 k( 269) = ( 0.3171779 0.0000000 -0.3171779), wk = 0.0025000 k( 270) = ( 0.3219120 0.0000000 -0.3219120), wk = 0.0025000 k( 271) = ( 0.3266460 0.0000000 -0.3266460), wk = 0.0025000 k( 272) = ( 0.3313799 0.0000000 -0.3313799), wk = 0.0025000 k( 273) = ( 0.3361139 0.0000000 -0.3361139), wk = 0.0025000 k( 274) = ( 0.3408479 -0.0000000 -0.3408479), wk = 0.0025000 k( 275) = ( 0.6591521 0.3408479 0.0000000), wk = 0.0025000 k( 276) = ( 0.6544711 0.3455289 0.0000000), wk = 0.0025000 k( 277) = ( 0.6497902 0.3502098 0.0000000), wk = 0.0025000 k( 278) = ( 0.6451092 0.3548908 0.0000000), wk = 0.0025000 k( 279) = ( 0.6404283 0.3595717 0.0000000), wk = 0.0025000 k( 280) = ( 0.6357473 0.3642527 0.0000000), wk = 0.0025000 k( 281) = ( 0.6310664 0.3689336 0.0000000), wk = 0.0025000 k( 282) = ( 0.6263855 0.3736145 0.0000000), wk = 0.0025000 k( 283) = ( 0.6217045 0.3782955 0.0000000), wk = 0.0025000 k( 284) = ( 0.6170236 0.3829764 0.0000000), wk = 0.0025000 k( 285) = ( 0.6123426 0.3876574 0.0000000), wk = 0.0025000 k( 286) = ( 0.6076617 0.3923383 0.0000000), wk = 0.0025000 k( 287) = ( 0.6029807 0.3970193 0.0000000), wk = 0.0025000 k( 288) = ( 0.5982998 0.4017002 0.0000000), wk = 0.0025000 k( 289) = ( 0.5936189 0.4063811 0.0000000), wk = 0.0025000 k( 290) = ( 0.5889379 0.4110621 0.0000000), wk = 0.0025000 k( 291) = ( 0.5842570 0.4157430 0.0000000), wk = 0.0025000 k( 292) = ( 0.5795760 0.4204240 0.0000000), wk = 0.0025000 k( 293) = ( 0.5748951 0.4251049 0.0000000), wk = 0.0025000 k( 294) = ( 0.5702141 0.4297859 0.0000000), wk = 0.0025000 k( 295) = ( 0.5655332 0.4344668 0.0000000), wk = 0.0025000 k( 296) = ( 0.5608523 0.4391477 0.0000000), wk = 0.0025000 k( 297) = ( 0.5561713 0.4438287 0.0000000), wk = 0.0025000 k( 298) = ( 0.5514904 0.4485096 0.0000000), wk = 0.0025000 k( 299) = ( 0.5468094 0.4531906 0.0000000), wk = 0.0025000 k( 300) = ( 0.5421285 0.4578715 0.0000000), wk = 0.0025000 k( 301) = ( 0.5374475 0.4625525 0.0000000), wk = 0.0025000 k( 302) = ( 0.5327666 0.4672334 0.0000000), wk = 0.0025000 k( 303) = ( 0.5280857 0.4719143 0.0000000), wk = 0.0025000 k( 304) = ( 0.5234047 0.4765953 0.0000000), wk = 0.0025000 k( 305) = ( 0.5187238 0.4812762 0.0000000), wk = 0.0025000 k( 306) = ( 0.5140428 0.4859572 0.0000000), wk = 0.0025000 k( 307) = ( 0.5093619 0.4906381 0.0000000), wk = 0.0025000 k( 308) = ( 0.5046809 0.4953191 0.0000000), wk = 0.0025000 k( 309) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 310) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 311) = ( 0.5159152 0.5159152 0.0181696), wk = 0.0025000 k( 312) = ( 0.5318304 0.5318304 0.0363392), wk = 0.0025000 k( 313) = ( 0.5477456 0.5477456 0.0545088), wk = 0.0025000 k( 314) = ( 0.5636608 0.5636608 0.0726784), wk = 0.0025000 k( 315) = ( 0.5795760 0.5795760 0.0908479), wk = 0.0025000 k( 316) = ( 0.5954912 0.5954912 0.1090175), wk = 0.0025000 k( 317) = ( 0.6114064 0.6114064 0.1271871), wk = 0.0025000 k( 318) = ( 0.6273216 0.6273216 0.1453567), wk = 0.0025000 k( 319) = ( 0.6432368 0.6432369 0.1635263), wk = 0.0025000 k( 320) = ( 0.6591521 0.6591521 0.1816959), wk = 0.0025000 k( 321) = ( 0.6591521 0.6591521 0.1816959), wk = 0.0025000 k( 322) = ( 0.6564546 0.6564546 0.1870909), wk = 0.0025000 k( 323) = ( 0.6537571 0.6537571 0.1924859), wk = 0.0025000 k( 324) = ( 0.6510596 0.6510596 0.1978808), wk = 0.0025000 k( 325) = ( 0.6483621 0.6483621 0.2032758), wk = 0.0025000 k( 326) = ( 0.6456646 0.6456646 0.2086708), wk = 0.0025000 k( 327) = ( 0.6429671 0.6429671 0.2140658), wk = 0.0025000 k( 328) = ( 0.6402696 0.6402696 0.2194608), wk = 0.0025000 k( 329) = ( 0.6375721 0.6375721 0.2248558), wk = 0.0025000 k( 330) = ( 0.6348746 0.6348746 0.2302508), wk = 0.0025000 k( 331) = ( 0.6321771 0.6321771 0.2356457), wk = 0.0025000 k( 332) = ( 0.6294796 0.6294796 0.2410407), wk = 0.0025000 k( 333) = ( 0.6267822 0.6267822 0.2464357), wk = 0.0025000 k( 334) = ( 0.6240847 0.6240847 0.2518307), wk = 0.0025000 k( 335) = ( 0.6213872 0.6213872 0.2572257), wk = 0.0025000 k( 336) = ( 0.6186897 0.6186897 0.2626207), wk = 0.0025000 k( 337) = ( 0.6159922 0.6159922 0.2680157), wk = 0.0025000 k( 338) = ( 0.6132947 0.6132947 0.2734106), wk = 0.0025000 k( 339) = ( 0.6105972 0.6105972 0.2788056), wk = 0.0025000 k( 340) = ( 0.6078997 0.6078997 0.2842006), wk = 0.0025000 k( 341) = ( 0.6052022 0.6052022 0.2895956), wk = 0.0025000 k( 342) = ( 0.6025047 0.6025047 0.2949906), wk = 0.0025000 k( 343) = ( 0.5998072 0.5998072 0.3003856), wk = 0.0025000 k( 344) = ( 0.5971097 0.5971097 0.3057805), wk = 0.0025000 k( 345) = ( 0.5944122 0.5944122 0.3111755), wk = 0.0025000 k( 346) = ( 0.5917147 0.5917147 0.3165705), wk = 0.0025000 k( 347) = ( 0.5890173 0.5890173 0.3219655), wk = 0.0025000 k( 348) = ( 0.5863198 0.5863198 0.3273605), wk = 0.0025000 k( 349) = ( 0.5836223 0.5836223 0.3327555), wk = 0.0025000 k( 350) = ( 0.5809248 0.5809248 0.3381504), wk = 0.0025000 k( 351) = ( 0.5782273 0.5782273 0.3435454), wk = 0.0025000 k( 352) = ( 0.5755298 0.5755298 0.3489404), wk = 0.0025000 k( 353) = ( 0.5728323 0.5728323 0.3543354), wk = 0.0025000 k( 354) = ( 0.5701348 0.5701348 0.3597304), wk = 0.0025000 k( 355) = ( 0.5674373 0.5674373 0.3651254), wk = 0.0025000 k( 356) = ( 0.5647398 0.5647398 0.3705204), wk = 0.0025000 k( 357) = ( 0.5620423 0.5620423 0.3759154), wk = 0.0025000 k( 358) = ( 0.5593448 0.5593448 0.3813103), wk = 0.0025000 k( 359) = ( 0.5566473 0.5566473 0.3867053), wk = 0.0025000 k( 360) = ( 0.5539498 0.5539498 0.3921003), wk = 0.0025000 k( 361) = ( 0.5512524 0.5512524 0.3974953), wk = 0.0025000 k( 362) = ( 0.5485549 0.5485549 0.4028903), wk = 0.0025000 k( 363) = ( 0.5458574 0.5458574 0.4082853), wk = 0.0025000 k( 364) = ( 0.5431599 0.5431599 0.4136802), wk = 0.0025000 k( 365) = ( 0.5404624 0.5404624 0.4190752), wk = 0.0025000 k( 366) = ( 0.5377649 0.5377649 0.4244702), wk = 0.0025000 k( 367) = ( 0.5350674 0.5350674 0.4298652), wk = 0.0025000 k( 368) = ( 0.5323699 0.5323699 0.4352602), wk = 0.0025000 k( 369) = ( 0.5296724 0.5296724 0.4406552), wk = 0.0025000 k( 370) = ( 0.5269749 0.5269749 0.4460502), wk = 0.0025000 k( 371) = ( 0.5242774 0.5242774 0.4514451), wk = 0.0025000 k( 372) = ( 0.5215799 0.5215799 0.4568401), wk = 0.0025000 k( 373) = ( 0.5188824 0.5188824 0.4622351), wk = 0.0025000 k( 374) = ( 0.5161849 0.5161850 0.4676301), wk = 0.0025000 k( 375) = ( 0.5134875 0.5134875 0.4730251), wk = 0.0025000 k( 376) = ( 0.5107900 0.5107900 0.4784201), wk = 0.0025000 k( 377) = ( 0.5080925 0.5080925 0.4838151), wk = 0.0025000 k( 378) = ( 0.5053950 0.5053950 0.4892100), wk = 0.0025000 k( 379) = ( 0.5026975 0.5026975 0.4946050), wk = 0.0025000 k( 380) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 381) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025000 k( 382) = ( 0.5167529 0.0179394 0.0179394), wk = 0.0025000 k( 383) = ( 0.5335057 0.0358787 0.0358787), wk = 0.0025000 k( 384) = ( 0.5502585 0.0538181 0.0538181), wk = 0.0025000 k( 385) = ( 0.5670114 0.0717575 0.0717575), wk = 0.0025000 k( 386) = ( 0.5837642 0.0896968 0.0896968), wk = 0.0025000 k( 387) = ( 0.6005171 0.1076362 0.1076362), wk = 0.0025000 k( 388) = ( 0.6172699 0.1255756 0.1255756), wk = 0.0025000 k( 389) = ( 0.6340228 0.1435149 0.1435149), wk = 0.0025000 k( 390) = ( 0.6507756 0.1614543 0.1614543), wk = 0.0025000 k( 391) = ( 0.6675285 0.1793936 0.1793937), wk = 0.0025000 k( 392) = ( 0.6842813 0.1973330 0.1973330), wk = 0.0025000 k( 393) = ( 0.7010342 0.2152724 0.2152724), wk = 0.0025000 k( 394) = ( 0.7177870 0.2332118 0.2332117), wk = 0.0025000 k( 395) = ( 0.7345399 0.2511511 0.2511511), wk = 0.0025000 k( 396) = ( 0.7512927 0.2690905 0.2690905), wk = 0.0025000 k( 397) = ( 0.7680456 0.2870299 0.2870298), wk = 0.0025000 k( 398) = ( 0.7847984 0.3049692 0.3049692), wk = 0.0025000 k( 399) = ( 0.8015513 0.3229086 0.3229086), wk = 0.0025000 k( 400) = ( 0.8183041 0.3408479 0.3408479), wk = 0.0025000 Dense grid: 29155 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 12929 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 88, 44) NL pseudopotentials 0.06 Mb ( 44, 96) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 810) G-vector shells 0.01 Mb ( 700) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 88, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.13 Mb ( 96, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./GaCuO2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.2 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.3 secs Computing kpt #: 10 total cpu time spent up to now is 7.6 secs Computing kpt #: 11 total cpu time spent up to now is 8.0 secs Computing kpt #: 12 total cpu time spent up to now is 8.4 secs Computing kpt #: 13 total cpu time spent up to now is 8.8 secs Computing kpt #: 14 total cpu time spent up to now is 9.1 secs Computing kpt #: 15 total cpu time spent up to now is 9.4 secs Computing kpt #: 16 total cpu time spent up to now is 9.7 secs Computing kpt #: 17 total cpu time spent up to now is 10.0 secs Computing kpt #: 18 total cpu time spent up to now is 10.3 secs Computing kpt #: 19 total cpu time spent up to now is 10.6 secs Computing kpt #: 20 total cpu time spent up to now is 10.9 secs Computing kpt #: 21 total cpu time spent up to now is 11.2 secs Computing kpt #: 22 total cpu time spent up to now is 11.5 secs Computing kpt #: 23 total cpu time spent up to now is 11.8 secs Computing kpt #: 24 total cpu time spent up to now is 12.1 secs Computing kpt #: 25 total cpu time spent up to now is 12.4 secs Computing kpt #: 26 total cpu time spent up to now is 12.8 secs Computing kpt #: 27 total cpu time spent up to now is 13.1 secs Computing kpt #: 28 total cpu time spent up to now is 13.4 secs Computing kpt #: 29 total cpu time spent up to now is 13.7 secs Computing kpt #: 30 total cpu time spent up to now is 14.0 secs Computing kpt #: 31 total cpu time spent up to now is 14.6 secs Computing kpt #: 32 total cpu time spent up to now is 15.0 secs Computing kpt #: 33 total cpu time spent up to now is 15.3 secs Computing kpt #: 34 total cpu time spent up to now is 15.6 secs Computing kpt #: 35 total cpu time spent up to now is 16.0 secs Computing kpt #: 36 total cpu time spent up to now is 16.3 secs Computing kpt #: 37 total cpu time spent up to now is 16.7 secs Computing kpt #: 38 total cpu time spent up to now is 17.0 secs Computing kpt #: 39 total cpu time spent up to now is 17.4 secs Computing kpt #: 40 total cpu time spent up to now is 17.7 secs Computing kpt #: 41 total cpu time spent up to now is 18.1 secs Computing kpt #: 42 total cpu time spent up to now is 18.5 secs Computing kpt #: 43 total cpu time spent up to now is 18.8 secs Computing kpt #: 44 total cpu time spent up to now is 19.2 secs Computing kpt #: 45 total cpu time spent up to now is 19.5 secs Computing kpt #: 46 total cpu time spent up to now is 19.9 secs Computing kpt #: 47 total cpu time spent up to now is 20.2 secs Computing kpt #: 48 total cpu time spent up to now is 20.6 secs Computing kpt #: 49 total cpu time spent up to now is 20.9 secs Computing kpt #: 50 total cpu time spent up to now is 21.3 secs Computing kpt #: 51 total cpu time spent up to now is 21.7 secs Computing kpt #: 52 total cpu time spent up to now is 22.0 secs Computing kpt #: 53 total cpu time spent up to now is 22.4 secs Computing kpt #: 54 total cpu time spent up to now is 22.7 secs Computing kpt #: 55 total cpu time spent up to now is 23.0 secs Computing kpt #: 56 total cpu time spent up to now is 23.4 secs Computing kpt #: 57 total cpu time spent up to now is 23.7 secs Computing kpt #: 58 total cpu time spent up to now is 24.1 secs Computing kpt #: 59 total cpu time spent up to now is 24.4 secs Computing kpt #: 60 total cpu time spent up to now is 24.8 secs Computing kpt #: 61 total cpu time spent up to now is 25.1 secs Computing kpt #: 62 total cpu time spent up to now is 25.4 secs Computing kpt #: 63 total cpu time spent up to now is 25.8 secs Computing kpt #: 64 total cpu time spent up to now is 26.1 secs Computing kpt #: 65 total cpu time spent up to now is 26.5 secs Computing kpt #: 66 total cpu time spent up to now is 26.8 secs Computing kpt #: 67 total cpu time spent up to now is 27.2 secs Computing kpt #: 68 total cpu time spent up to now is 27.5 secs Computing kpt #: 69 total cpu time spent up to now is 27.9 secs Computing kpt #: 70 total cpu time spent up to now is 28.3 secs Computing kpt #: 71 total cpu time spent up to now is 28.7 secs Computing kpt #: 72 total cpu time spent up to now is 29.1 secs Computing kpt #: 73 total cpu time spent up to now is 29.5 secs Computing kpt #: 74 total cpu time spent up to now is 29.9 secs Computing kpt #: 75 total cpu time spent up to now is 30.3 secs Computing kpt #: 76 total cpu time spent up to now is 30.8 secs Computing kpt #: 77 total cpu time spent up to now is 31.2 secs Computing kpt #: 78 total cpu time spent up to now is 31.7 secs Computing kpt #: 79 total cpu time spent up to now is 32.1 secs Computing kpt #: 80 total cpu time spent up to now is 32.6 secs Computing kpt #: 81 total cpu time spent up to now is 33.0 secs Computing kpt #: 82 total cpu time spent up to now is 33.4 secs Computing kpt #: 83 total cpu time spent up to now is 33.8 secs Computing kpt #: 84 total cpu time spent up to now is 34.2 secs Computing kpt #: 85 total cpu time spent up to now is 34.6 secs Computing kpt #: 86 total cpu time spent up to now is 34.9 secs Computing kpt #: 87 total cpu time spent up to now is 35.2 secs Computing kpt #: 88 total cpu time spent up to now is 35.6 secs Computing kpt #: 89 total cpu time spent up to now is 35.9 secs Computing kpt #: 90 total cpu time spent up to now is 36.2 secs Computing kpt #: 91 total cpu time spent up to now is 36.6 secs Computing kpt #: 92 total cpu time spent up to now is 36.9 secs Computing kpt #: 93 total cpu time spent up to now is 37.2 secs Computing kpt #: 94 total cpu time spent up to now is 37.5 secs Computing kpt #: 95 total cpu time spent up to now is 37.9 secs Computing kpt #: 96 total cpu time spent up to now is 38.2 secs Computing kpt #: 97 total cpu time spent up to now is 38.5 secs Computing kpt #: 98 total cpu time spent up to now is 38.8 secs Computing kpt #: 99 total cpu time spent up to now is 39.2 secs Computing kpt #: 100 total cpu time spent up to now is 39.5 secs Computing kpt #: 101 total cpu time spent up to now is 39.8 secs Computing kpt #: 102 total cpu time spent up to now is 40.1 secs Computing kpt #: 103 total cpu time spent up to now is 40.4 secs Computing kpt #: 104 total cpu time spent up to now is 40.8 secs Computing kpt #: 105 total cpu time spent up to now is 41.1 secs Computing kpt #: 106 total cpu time spent up to now is 41.4 secs Computing kpt #: 107 total cpu time spent up to now is 41.7 secs Computing kpt #: 108 total cpu time spent up to now is 42.1 secs Computing kpt #: 109 total cpu time spent up to now is 42.4 secs Computing kpt #: 110 total cpu time spent up to now is 42.8 secs Computing kpt #: 111 total cpu time spent up to now is 43.1 secs Computing kpt #: 112 total cpu time spent up to now is 43.5 secs Computing kpt #: 113 total cpu time spent up to now is 43.8 secs Computing kpt #: 114 total cpu time spent up to now is 44.2 secs Computing kpt #: 115 total cpu time spent up to now is 44.7 secs Computing kpt #: 116 total cpu time spent up to now is 45.2 secs Computing kpt #: 117 total cpu time spent up to now is 45.6 secs Computing kpt #: 118 total cpu time spent up to now is 46.0 secs Computing kpt #: 119 total cpu time spent up to now is 46.3 secs Computing kpt #: 120 total cpu time spent up to now is 46.7 secs Computing kpt #: 121 total cpu time spent up to now is 47.0 secs Computing kpt #: 122 total cpu time spent up to now is 47.3 secs Computing kpt #: 123 total cpu time spent up to now is 47.7 secs Computing kpt #: 124 total cpu time spent up to now is 48.0 secs Computing kpt #: 125 total cpu time spent up to now is 48.4 secs Computing kpt #: 126 total cpu time spent up to now is 48.7 secs Computing kpt #: 127 total cpu time spent up to now is 49.1 secs Computing kpt #: 128 total cpu time spent up to now is 49.5 secs Computing kpt #: 129 total cpu time spent up to now is 50.0 secs Computing kpt #: 130 total cpu time spent up to now is 50.4 secs Computing kpt #: 131 total cpu time spent up to now is 50.7 secs Computing kpt #: 132 total cpu time spent up to now is 51.1 secs Computing kpt #: 133 total cpu time spent up to now is 51.4 secs Computing kpt #: 134 total cpu time spent up to now is 51.7 secs Computing kpt #: 135 total cpu time spent up to now is 52.0 secs Computing kpt #: 136 total cpu time spent up to now is 52.3 secs Computing kpt #: 137 total cpu time spent up to now is 52.7 secs Computing kpt #: 138 total cpu time spent up to now is 53.0 secs Computing kpt #: 139 total cpu time spent up to now is 53.3 secs Computing kpt #: 140 total cpu time spent up to now is 53.6 secs Computing kpt #: 141 total cpu time spent up to now is 53.9 secs Computing kpt #: 142 total cpu time spent up to now is 54.2 secs Computing kpt #: 143 total cpu time spent up to now is 54.5 secs Computing kpt #: 144 total cpu time spent up to now is 54.9 secs Computing kpt #: 145 total cpu time spent up to now is 55.2 secs Computing kpt #: 146 total cpu time spent up to now is 55.5 secs Computing kpt #: 147 total cpu time spent up to now is 55.8 secs Computing kpt #: 148 total cpu time spent up to now is 56.1 secs Computing kpt #: 149 total cpu time spent up to now is 56.4 secs Computing kpt #: 150 total cpu time spent up to now is 56.7 secs Computing kpt #: 151 total cpu time spent up to now is 57.1 secs Computing kpt #: 152 total cpu time spent up to now is 57.4 secs Computing kpt #: 153 total cpu time spent up to now is 57.7 secs Computing kpt #: 154 total cpu time spent up to now is 58.0 secs Computing kpt #: 155 total cpu time spent up to now is 58.3 secs Computing kpt #: 156 total cpu time spent up to now is 58.7 secs Computing kpt #: 157 total cpu time spent up to now is 59.0 secs Computing kpt #: 158 total cpu time spent up to now is 59.4 secs Computing kpt #: 159 total cpu time spent up to now is 59.7 secs Computing kpt #: 160 total cpu time spent up to now is 60.0 secs Computing kpt #: 161 total cpu time spent up to now is 60.4 secs Computing kpt #: 162 total cpu time spent up to now is 60.7 secs Computing kpt #: 163 total cpu time spent up to now is 61.1 secs Computing kpt #: 164 total cpu time spent up to now is 61.4 secs Computing kpt #: 165 total cpu time spent up to now is 61.7 secs Computing kpt #: 166 total cpu time spent up to now is 62.0 secs Computing kpt #: 167 total cpu time spent up to now is 62.3 secs Computing kpt #: 168 total cpu time spent up to now is 62.6 secs Computing kpt #: 169 total cpu time spent up to now is 62.9 secs Computing kpt #: 170 total cpu time spent up to now is 63.2 secs Computing kpt #: 171 total cpu time spent up to now is 63.5 secs Computing kpt #: 172 total cpu time spent up to now is 63.8 secs Computing kpt #: 173 total cpu time spent up to now is 64.1 secs Computing kpt #: 174 total cpu time spent up to now is 64.4 secs Computing kpt #: 175 total cpu time spent up to now is 64.8 secs Computing kpt #: 176 total cpu time spent up to now is 65.1 secs Computing kpt #: 177 total cpu time spent up to now is 65.4 secs Computing kpt #: 178 total cpu time spent up to now is 65.8 secs Computing kpt #: 179 total cpu time spent up to now is 66.2 secs Computing kpt #: 180 total cpu time spent up to now is 66.5 secs Computing kpt #: 181 total cpu time spent up to now is 67.0 secs Computing kpt #: 182 total cpu time spent up to now is 67.4 secs Computing kpt #: 183 total cpu time spent up to now is 67.9 secs Computing kpt #: 184 total cpu time spent up to now is 68.3 secs Computing kpt #: 185 total cpu time spent up to now is 68.8 secs Computing kpt #: 186 total cpu time spent up to now is 69.4 secs Computing kpt #: 187 total cpu time spent up to now is 69.8 secs Computing kpt #: 188 total cpu time spent up to now is 70.4 secs Computing kpt #: 189 total cpu time spent up to now is 70.9 secs Computing kpt #: 190 total cpu time spent up to now is 71.4 secs Computing kpt #: 191 total cpu time spent up to now is 72.0 secs Computing kpt #: 192 total cpu time spent up to now is 72.5 secs Computing kpt #: 193 total cpu time spent up to now is 73.1 secs Computing kpt #: 194 total cpu time spent up to now is 73.6 secs Computing kpt #: 195 total cpu time spent up to now is 74.2 secs Computing kpt #: 196 total cpu time spent up to now is 74.7 secs Computing kpt #: 197 total cpu time spent up to now is 75.2 secs Computing kpt #: 198 total cpu time spent up to now is 75.7 secs Computing kpt #: 199 total cpu time spent up to now is 76.1 secs Computing kpt #: 200 total cpu time spent up to now is 76.5 secs Computing kpt #: 201 total cpu time spent up to now is 76.9 secs Computing kpt #: 202 total cpu time spent up to now is 77.2 secs Computing kpt #: 203 total cpu time spent up to now is 77.5 secs Computing kpt #: 204 total cpu time spent up to now is 77.8 secs Computing kpt #: 205 total cpu time spent up to now is 78.1 secs Computing kpt #: 206 total cpu time spent up to now is 78.4 secs Computing kpt #: 207 total cpu time spent up to now is 78.8 secs Computing kpt #: 208 total cpu time spent up to now is 79.1 secs Computing kpt #: 209 total cpu time spent up to now is 79.5 secs Computing kpt #: 210 total cpu time spent up to now is 79.9 secs Computing kpt #: 211 total cpu time spent up to now is 80.2 secs Computing kpt #: 212 total cpu time spent up to now is 80.6 secs Computing kpt #: 213 total cpu time spent up to now is 80.9 secs Computing kpt #: 214 total cpu time spent up to now is 81.2 secs Computing kpt #: 215 total cpu time spent up to now is 81.5 secs Computing kpt #: 216 total cpu time spent up to now is 81.8 secs Computing kpt #: 217 total cpu time spent up to now is 82.1 secs Computing kpt #: 218 total cpu time spent up to now is 82.3 secs Computing kpt #: 219 total cpu time spent up to now is 82.6 secs Computing kpt #: 220 total cpu time spent up to now is 82.9 secs Computing kpt #: 221 total cpu time spent up to now is 83.2 secs Computing kpt #: 222 total cpu time spent up to now is 83.5 secs Computing kpt #: 223 total cpu time spent up to now is 83.8 secs Computing kpt #: 224 total cpu time spent up to now is 84.0 secs Computing kpt #: 225 total cpu time spent up to now is 84.3 secs Computing kpt #: 226 total cpu time spent up to now is 84.6 secs Computing kpt #: 227 total cpu time spent up to now is 84.9 secs Computing kpt #: 228 total cpu time spent up to now is 85.2 secs Computing kpt #: 229 total cpu time spent up to now is 85.5 secs Computing kpt #: 230 total cpu time spent up to now is 85.8 secs Computing kpt #: 231 total cpu time spent up to now is 86.1 secs Computing kpt #: 232 total cpu time spent up to now is 86.4 secs Computing kpt #: 233 total cpu time spent up to now is 86.7 secs Computing kpt #: 234 total cpu time spent up to now is 87.0 secs Computing kpt #: 235 total cpu time spent up to now is 87.4 secs Computing kpt #: 236 total cpu time spent up to now is 87.7 secs Computing kpt #: 237 total cpu time spent up to now is 88.0 secs Computing kpt #: 238 total cpu time spent up to now is 88.4 secs Computing kpt #: 239 total cpu time spent up to now is 88.7 secs Computing kpt #: 240 total cpu time spent up to now is 89.1 secs Computing kpt #: 241 total cpu time spent up to now is 89.4 secs Computing kpt #: 242 total cpu time spent up to now is 89.8 secs Computing kpt #: 243 total cpu time spent up to now is 90.2 secs Computing kpt #: 244 total cpu time spent up to now is 90.6 secs Computing kpt #: 245 total cpu time spent up to now is 91.0 secs Computing kpt #: 246 total cpu time spent up to now is 91.4 secs Computing kpt #: 247 total cpu time spent up to now is 91.8 secs Computing kpt #: 248 total cpu time spent up to now is 92.2 secs Computing kpt #: 249 total cpu time spent up to now is 92.6 secs Computing kpt #: 250 total cpu time spent up to now is 93.0 secs Computing kpt #: 251 total cpu time spent up to now is 93.4 secs Computing kpt #: 252 total cpu time spent up to now is 93.7 secs Computing kpt #: 253 total cpu time spent up to now is 94.1 secs Computing kpt #: 254 total cpu time spent up to now is 94.4 secs Computing kpt #: 255 total cpu time spent up to now is 94.7 secs Computing kpt #: 256 total cpu time spent up to now is 95.1 secs Computing kpt #: 257 total cpu time spent up to now is 95.4 secs Computing kpt #: 258 total cpu time spent up to now is 95.7 secs Computing kpt #: 259 total cpu time spent up to now is 96.0 secs Computing kpt #: 260 total cpu time spent up to now is 96.4 secs Computing kpt #: 261 total cpu time spent up to now is 96.7 secs Computing kpt #: 262 total cpu time spent up to now is 97.0 secs Computing kpt #: 263 total cpu time spent up to now is 97.3 secs Computing kpt #: 264 total cpu time spent up to now is 97.7 secs Computing kpt #: 265 total cpu time spent up to now is 98.0 secs Computing kpt #: 266 total cpu time spent up to now is 98.3 secs Computing kpt #: 267 total cpu time spent up to now is 98.6 secs Computing kpt #: 268 total cpu time spent up to now is 98.9 secs Computing kpt #: 269 total cpu time spent up to now is 99.3 secs Computing kpt #: 270 total cpu time spent up to now is 99.6 secs Computing kpt #: 271 total cpu time spent up to now is 99.9 secs Computing kpt #: 272 total cpu time spent up to now is 100.2 secs Computing kpt #: 273 total cpu time spent up to now is 100.5 secs Computing kpt #: 274 total cpu time spent up to now is 100.9 secs Computing kpt #: 275 total cpu time spent up to now is 101.2 secs Computing kpt #: 276 total cpu time spent up to now is 101.5 secs Computing kpt #: 277 total cpu time spent up to now is 101.8 secs Computing kpt #: 278 total cpu time spent up to now is 102.1 secs Computing kpt #: 279 total cpu time spent up to now is 102.5 secs Computing kpt #: 280 total cpu time spent up to now is 102.8 secs Computing kpt #: 281 total cpu time spent up to now is 103.1 secs Computing kpt #: 282 total cpu time spent up to now is 103.5 secs Computing kpt #: 283 total cpu time spent up to now is 103.9 secs Computing kpt #: 284 total cpu time spent up to now is 104.3 secs Computing kpt #: 285 total cpu time spent up to now is 104.6 secs Computing kpt #: 286 total cpu time spent up to now is 104.9 secs Computing kpt #: 287 total cpu time spent up to now is 105.3 secs Computing kpt #: 288 total cpu time spent up to now is 105.7 secs Computing kpt #: 289 total cpu time spent up to now is 106.0 secs Computing kpt #: 290 total cpu time spent up to now is 106.3 secs Computing kpt #: 291 total cpu time spent up to now is 106.7 secs Computing kpt #: 292 total cpu time spent up to now is 107.0 secs Computing kpt #: 293 total cpu time spent up to now is 107.3 secs Computing kpt #: 294 total cpu time spent up to now is 107.6 secs Computing kpt #: 295 total cpu time spent up to now is 107.9 secs Computing kpt #: 296 total cpu time spent up to now is 108.2 secs Computing kpt #: 297 total cpu time spent up to now is 108.5 secs Computing kpt #: 298 total cpu time spent up to now is 108.8 secs Computing kpt #: 299 total cpu time spent up to now is 109.2 secs Computing kpt #: 300 total cpu time spent up to now is 109.5 secs Computing kpt #: 301 total cpu time spent up to now is 109.8 secs Computing kpt #: 302 total cpu time spent up to now is 110.1 secs Computing kpt #: 303 total cpu time spent up to now is 110.4 secs Computing kpt #: 304 total cpu time spent up to now is 110.7 secs Computing kpt #: 305 total cpu time spent up to now is 111.0 secs Computing kpt #: 306 total cpu time spent up to now is 111.3 secs Computing kpt #: 307 total cpu time spent up to now is 111.5 secs Computing kpt #: 308 total cpu time spent up to now is 111.9 secs Computing kpt #: 309 total cpu time spent up to now is 112.2 secs Computing kpt #: 310 total cpu time spent up to now is 112.4 secs Computing kpt #: 311 total cpu time spent up to now is 112.7 secs Computing kpt #: 312 total cpu time spent up to now is 113.0 secs Computing kpt #: 313 total cpu time spent up to now is 113.3 secs Computing kpt #: 314 total cpu time spent up to now is 113.6 secs Computing kpt #: 315 total cpu time spent up to now is 113.9 secs Computing kpt #: 316 total cpu time spent up to now is 114.2 secs Computing kpt #: 317 total cpu time spent up to now is 114.5 secs Computing kpt #: 318 total cpu time spent up to now is 114.8 secs Computing kpt #: 319 total cpu time spent up to now is 115.1 secs Computing kpt #: 320 total cpu time spent up to now is 115.4 secs Computing kpt #: 321 total cpu time spent up to now is 115.7 secs Computing kpt #: 322 total cpu time spent up to now is 116.0 secs Computing kpt #: 323 total cpu time spent up to now is 116.3 secs Computing kpt #: 324 total cpu time spent up to now is 116.7 secs Computing kpt #: 325 total cpu time spent up to now is 117.0 secs Computing kpt #: 326 total cpu time spent up to now is 117.3 secs Computing kpt #: 327 total cpu time spent up to now is 117.6 secs Computing kpt #: 328 total cpu time spent up to now is 117.9 secs Computing kpt #: 329 total cpu time spent up to now is 118.2 secs Computing kpt #: 330 total cpu time spent up to now is 118.5 secs Computing kpt #: 331 total cpu time spent up to now is 118.8 secs Computing kpt #: 332 total cpu time spent up to now is 119.2 secs Computing kpt #: 333 total cpu time spent up to now is 119.5 secs Computing kpt #: 334 total cpu time spent up to now is 119.8 secs Computing kpt #: 335 total cpu time spent up to now is 120.1 secs Computing kpt #: 336 total cpu time spent up to now is 120.5 secs Computing kpt #: 337 total cpu time spent up to now is 120.9 secs Computing kpt #: 338 total cpu time spent up to now is 121.3 secs Computing kpt #: 339 total cpu time spent up to now is 121.7 secs Computing kpt #: 340 total cpu time spent up to now is 122.1 secs Computing kpt #: 341 total cpu time spent up to now is 122.5 secs Computing kpt #: 342 total cpu time spent up to now is 122.9 secs Computing kpt #: 343 total cpu time spent up to now is 123.3 secs Computing kpt #: 344 total cpu time spent up to now is 123.6 secs Computing kpt #: 345 total cpu time spent up to now is 124.0 secs Computing kpt #: 346 total cpu time spent up to now is 124.3 secs Computing kpt #: 347 total cpu time spent up to now is 124.6 secs Computing kpt #: 348 total cpu time spent up to now is 125.0 secs Computing kpt #: 349 total cpu time spent up to now is 125.3 secs Computing kpt #: 350 total cpu time spent up to now is 125.6 secs Computing kpt #: 351 total cpu time spent up to now is 125.9 secs Computing kpt #: 352 total cpu time spent up to now is 126.2 secs Computing kpt #: 353 total cpu time spent up to now is 126.5 secs Computing kpt #: 354 total cpu time spent up to now is 126.9 secs Computing kpt #: 355 total cpu time spent up to now is 127.2 secs Computing kpt #: 356 total cpu time spent up to now is 127.5 secs Computing kpt #: 357 total cpu time spent up to now is 127.8 secs Computing kpt #: 358 total cpu time spent up to now is 128.1 secs Computing kpt #: 359 total cpu time spent up to now is 128.5 secs Computing kpt #: 360 total cpu time spent up to now is 128.8 secs Computing kpt #: 361 total cpu time spent up to now is 129.1 secs Computing kpt #: 362 total cpu time spent up to now is 129.4 secs Computing kpt #: 363 total cpu time spent up to now is 129.7 secs Computing kpt #: 364 total cpu time spent up to now is 130.0 secs Computing kpt #: 365 total cpu time spent up to now is 130.4 secs Computing kpt #: 366 total cpu time spent up to now is 130.7 secs Computing kpt #: 367 total cpu time spent up to now is 131.1 secs Computing kpt #: 368 total cpu time spent up to now is 131.5 secs Computing kpt #: 369 total cpu time spent up to now is 131.8 secs Computing kpt #: 370 total cpu time spent up to now is 132.2 secs Computing kpt #: 371 total cpu time spent up to now is 132.6 secs Computing kpt #: 372 total cpu time spent up to now is 133.0 secs Computing kpt #: 373 total cpu time spent up to now is 133.3 secs Computing kpt #: 374 total cpu time spent up to now is 133.6 secs Computing kpt #: 375 total cpu time spent up to now is 133.9 secs Computing kpt #: 376 total cpu time spent up to now is 134.2 secs Computing kpt #: 377 total cpu time spent up to now is 134.5 secs Computing kpt #: 378 total cpu time spent up to now is 134.8 secs Computing kpt #: 379 total cpu time spent up to now is 135.1 secs Computing kpt #: 380 total cpu time spent up to now is 135.4 secs Computing kpt #: 381 total cpu time spent up to now is 135.7 secs Computing kpt #: 382 total cpu time spent up to now is 136.1 secs Computing kpt #: 383 total cpu time spent up to now is 136.4 secs Computing kpt #: 384 total cpu time spent up to now is 136.7 secs Computing kpt #: 385 total cpu time spent up to now is 137.1 secs Computing kpt #: 386 total cpu time spent up to now is 137.5 secs Computing kpt #: 387 total cpu time spent up to now is 137.8 secs Computing kpt #: 388 total cpu time spent up to now is 138.2 secs Computing kpt #: 389 total cpu time spent up to now is 138.5 secs Computing kpt #: 390 total cpu time spent up to now is 138.8 secs Computing kpt #: 391 total cpu time spent up to now is 139.2 secs Computing kpt #: 392 total cpu time spent up to now is 139.5 secs Computing kpt #: 393 total cpu time spent up to now is 139.8 secs Computing kpt #: 394 total cpu time spent up to now is 140.1 secs Computing kpt #: 395 total cpu time spent up to now is 140.4 secs Computing kpt #: 396 total cpu time spent up to now is 140.8 secs Computing kpt #: 397 total cpu time spent up to now is 141.1 secs Computing kpt #: 398 total cpu time spent up to now is 141.4 secs Computing kpt #: 399 total cpu time spent up to now is 141.7 secs Computing kpt #: 400 total cpu time spent up to now is 142.0 secs ethr = 2.78E-08, avg # of iterations = 18.6 total cpu time spent up to now is 142.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1601 PWs) bands (ev): -11.0826 -11.0826 -9.1742 -9.1742 -5.1431 -5.1431 -5.0398 -5.0398 -4.7424 -4.7424 -4.5247 -4.5247 -4.5013 -4.5013 1.6902 1.6902 5.9318 5.9318 6.1505 6.1505 6.4827 6.4827 6.5060 6.5060 6.7321 6.7321 6.7726 6.7726 7.9473 7.9473 8.1765 8.1765 8.8688 8.8688 8.9744 8.9744 10.6047 10.6047 14.6462 14.6462 15.2179 15.2179 21.2879 21.2879 k = 0.0081-0.0146-0.0088 ( 1603 PWs) bands (ev): -11.0819 -11.0819 -9.1743 -9.1743 -5.1429 -5.1429 -5.0397 -5.0397 -4.7422 -4.7422 -4.5246 -4.5246 -4.5012 -4.5012 1.6907 1.6907 5.9308 5.9308 6.1484 6.1484 6.4798 6.4798 6.5027 6.5027 6.7341 6.7341 6.7739 6.7739 7.9473 7.9473 8.1765 8.1765 8.8683 8.8683 8.9739 8.9739 10.6076 10.6076 14.6494 14.6494 15.2180 15.2180 21.2867 21.2867 k = 0.0161-0.0293-0.0177 ( 1611 PWs) bands (ev): -11.0797 -11.0797 -9.1745 -9.1745 -5.1424 -5.1424 -5.0392 -5.0392 -4.7416 -4.7416 -4.5246 -4.5246 -4.5012 -4.5012 1.6919 1.6919 5.9279 5.9279 6.1419 6.1419 6.4714 6.4714 6.4934 6.4934 6.7396 6.7396 6.7777 6.7777 7.9475 7.9475 8.1767 8.1767 8.8669 8.8669 8.9726 8.9726 10.6163 10.6163 14.6590 14.6590 15.2183 15.2183 21.2828 21.2828 k = 0.0242-0.0439-0.0265 ( 1605 PWs) bands (ev): -11.0761 -11.0761 -9.1750 -9.1750 -5.1412 -5.1412 -5.0383 -5.0383 -4.7405 -4.7405 -4.5245 -4.5245 -4.5009 -4.5009 1.6940 1.6940 5.9226 5.9226 6.1311 6.1311 6.4581 6.4581 6.4796 6.4796 6.7471 6.7471 6.7840 6.7840 7.9479 7.9479 8.1772 8.1772 8.8646 8.8646 8.9703 8.9703 10.6308 10.6308 14.6749 14.6749 15.2188 15.2188 21.2753 21.2753 k = 0.0323-0.0586-0.0353 ( 1605 PWs) bands (ev): -11.0710 -11.0710 -9.1757 -9.1757 -5.1396 -5.1396 -5.0370 -5.0370 -4.7389 -4.7389 -4.5244 -4.5244 -4.5005 -4.5005 1.6969 1.6969 5.9144 5.9144 6.1159 6.1159 6.4405 6.4405 6.4629 6.4629 6.7551 6.7551 6.7928 6.7928 7.9484 7.9484 8.1779 8.1779 8.8614 8.8614 8.9672 8.9672 10.6508 10.6508 14.6969 14.6969 15.2196 15.2196 21.2624 21.2624 k = 0.0403-0.0732-0.0441 ( 1607 PWs) bands (ev): -11.0645 -11.0645 -9.1766 -9.1766 -5.1376 -5.1376 -5.0354 -5.0354 -4.7370 -4.7370 -4.5242 -4.5242 -4.5000 -4.5000 1.7005 1.7005 5.9021 5.9021 6.0966 6.0966 6.4195 6.4195 6.4449 6.4449 6.7625 6.7625 6.8039 6.8039 7.9489 7.9489 8.1788 8.1788 8.8573 8.8573 8.9633 8.9633 10.6762 10.6762 14.7247 14.7247 15.2208 15.2208 21.2423 21.2423 k = 0.0484-0.0879-0.0530 ( 1606 PWs) bands (ev): -11.0565 -11.0565 -9.1776 -9.1776 -5.1353 -5.1353 -5.0333 -5.0333 -4.7347 -4.7347 -4.5240 -4.5240 -4.4993 -4.4993 1.7050 1.7050 5.8843 5.8843 6.0745 6.0745 6.3958 6.3958 6.4267 6.4267 6.7689 6.7689 6.8169 6.8169 7.9495 7.9495 8.1800 8.1800 8.8523 8.8523 8.9587 8.9587 10.7066 10.7066 14.7578 14.7578 15.2226 15.2226 21.2135 21.2135 k = 0.0565-0.1025-0.0618 ( 1603 PWs) bands (ev): -11.0472 -11.0472 -9.1789 -9.1789 -5.1325 -5.1325 -5.0309 -5.0309 -4.7319 -4.7319 -4.5238 -4.5238 -4.4984 -4.4984 1.7102 1.7102 5.8590 5.8590 6.0510 6.0510 6.3699 6.3699 6.4089 6.4089 6.7745 6.7745 6.8310 6.8310 7.9502 7.9502 8.1816 8.1816 8.8463 8.8463 8.9533 8.9533 10.7417 10.7417 14.7957 14.7957 15.2254 15.2254 21.1752 21.1752 k = 0.0645-0.1171-0.0706 ( 1608 PWs) bands (ev): -11.0364 -11.0364 -9.1803 -9.1803 -5.1295 -5.1295 -5.0281 -5.0281 -4.7288 -4.7288 -4.5236 -4.5236 -4.4973 -4.4973 1.7162 1.7162 5.8243 5.8243 6.0281 6.0281 6.3423 6.3423 6.3919 6.3919 6.7798 6.7798 6.8457 6.8457 7.9507 7.9507 8.1835 8.1835 8.8394 8.8394 8.9472 8.9472 10.7813 10.7813 14.8376 14.8376 15.2296 15.2296 21.1280 21.1280 k = 0.0726-0.1318-0.0794 ( 1608 PWs) bands (ev): -11.0243 -11.0243 -9.1819 -9.1819 -5.1262 -5.1262 -5.0249 -5.0249 -4.7254 -4.7254 -4.5234 -4.5234 -4.4959 -4.4959 1.7229 1.7229 5.7795 5.7795 6.0069 6.0069 6.3131 6.3131 6.3755 6.3755 6.7852 6.7852 6.8605 6.8605 7.9512 7.9512 8.1858 8.1858 8.8317 8.8317 8.9406 8.9406 10.8249 10.8249 14.8822 14.8822 15.2362 15.2362 21.0731 21.0731 k = 0.0806-0.1464-0.0883 ( 1608 PWs) bands (ev): -11.0108 -11.0108 -9.1837 -9.1837 -5.1227 -5.1227 -5.0212 -5.0212 -4.7216 -4.7216 -4.5232 -4.5232 -4.4942 -4.4942 1.7302 1.7302 5.7249 5.7249 5.9872 5.9872 6.2825 6.2825 6.3598 6.3598 6.7913 6.7913 6.8753 6.8753 7.9516 7.9516 8.1887 8.1887 8.8231 8.8231 8.9334 8.9334 10.8721 10.8721 14.9275 14.9275 15.2469 15.2469 21.0119 21.0119 k = 0.0887-0.1611-0.0971 ( 1608 PWs) bands (ev): -10.9959 -10.9959 -9.1857 -9.1857 -5.1190 -5.1190 -5.0171 -5.0171 -4.7174 -4.7174 -4.5229 -4.5229 -4.4922 -4.4922 1.7382 1.7382 5.6618 5.6618 5.9683 5.9683 6.2508 6.2508 6.3445 6.3445 6.7984 6.7984 6.8898 6.8898 7.9518 7.9518 8.1922 8.1922 8.8137 8.8137 8.9258 8.9258 10.9225 10.9225 14.9708 14.9708 15.2639 15.2639 20.9456 20.9456 k = 0.0968-0.1757-0.1059 ( 1608 PWs) bands (ev): -10.9797 -10.9797 -9.1879 -9.1879 -5.1151 -5.1151 -5.0126 -5.0126 -4.7130 -4.7130 -4.5227 -4.5227 -4.4898 -4.4898 1.7468 1.7468 5.5915 5.5915 5.9489 5.9489 6.2181 6.2181 6.3296 6.3296 6.8070 6.8070 6.9038 6.9038 7.9518 7.9518 8.1963 8.1963 8.8035 8.8035 8.9177 8.9177 10.9758 10.9758 15.0084 15.0084 15.2905 15.2905 20.8755 20.8755 k = 0.1048-0.1903-0.1147 ( 1611 PWs) bands (ev): -10.9622 -10.9622 -9.1903 -9.1903 -5.1112 -5.1112 -5.0076 -5.0076 -4.7084 -4.7084 -4.5225 -4.5225 -4.4870 -4.4870 1.7560 1.7560 5.5153 5.5153 5.9282 5.9282 6.1844 6.1844 6.3151 6.3151 6.8174 6.8174 6.9174 6.9174 7.9516 7.9516 8.2010 8.2010 8.7926 8.7926 8.9093 8.9093 11.0315 11.0315 15.0371 15.0371 15.3295 15.3295 20.8027 20.8027 k = 0.1129-0.2050-0.1236 ( 1610 PWs) bands (ev): -10.9434 -10.9434 -9.1928 -9.1928 -5.1073 -5.1073 -5.0021 -5.0021 -4.7036 -4.7036 -4.5222 -4.5222 -4.4837 -4.4837 1.7656 1.7656 5.4342 5.4342 5.9052 5.9052 6.1500 6.1500 6.3014 6.3014 6.8296 6.8296 6.9305 6.9305 7.9513 7.9513 8.2064 8.2064 8.7812 8.7812 8.9006 8.9006 11.0893 11.0893 15.0558 15.0558 15.3818 15.3818 20.7280 20.7280 k = 0.1210-0.2196-0.1324 ( 1604 PWs) bands (ev): -10.9233 -10.9233 -9.1954 -9.1954 -5.1032 -5.1032 -4.9961 -4.9961 -4.6985 -4.6985 -4.5218 -4.5218 -4.4799 -4.4799 1.7757 1.7757 5.3491 5.3491 5.8792 5.8792 6.1148 6.1148 6.2886 6.2886 6.8439 6.8439 6.9431 6.9431 7.9507 7.9507 8.2127 8.2127 8.7692 8.7692 8.8917 8.8917 11.1488 11.1488 15.0656 15.0656 15.4456 15.4456 20.6522 20.6522 k = 0.1290-0.2343-0.1412 ( 1602 PWs) bands (ev): -10.9020 -10.9020 -9.1983 -9.1983 -5.0993 -5.0993 -4.9897 -4.9897 -4.6934 -4.6934 -4.5213 -4.5213 -4.4755 -4.4755 1.7862 1.7862 5.2606 5.2606 5.8499 5.8499 6.0789 6.0789 6.2770 6.2770 6.8602 6.8602 6.9552 6.9552 7.9500 7.9500 8.2197 8.2197 8.7567 8.7567 8.8825 8.8825 11.2098 11.2098 15.0685 15.0685 15.5184 15.5184 20.5761 20.5761 k = 0.1371-0.2489-0.1500 ( 1602 PWs) bands (ev): -10.8796 -10.8796 -9.2013 -9.2013 -5.0955 -5.0955 -4.9828 -4.9828 -4.6884 -4.6884 -4.5208 -4.5208 -4.4706 -4.4706 1.7971 1.7971 5.1693 5.1693 5.8170 5.8170 6.0425 6.0425 6.2668 6.2668 6.8785 6.8785 6.9667 6.9667 7.9491 7.9491 8.2273 8.2273 8.7438 8.7438 8.8730 8.8730 11.2717 11.2717 15.0664 15.0664 15.5982 15.5982 20.5002 20.5002 k = 0.1452-0.2636-0.1589 ( 1601 PWs) bands (ev): -10.8559 -10.8559 -9.2045 -9.2045 -5.0917 -5.0917 -4.9756 -4.9756 -4.6833 -4.6833 -4.5201 -4.5201 -4.4650 -4.4650 1.8082 1.8082 5.0757 5.0757 5.7804 5.7804 6.0056 6.0056 6.2581 6.2581 6.8986 6.8986 6.9779 6.9779 7.9483 7.9483 8.2358 8.2358 8.7305 8.7305 8.8634 8.8634 11.3344 11.3344 15.0604 15.0604 15.6831 15.6831 20.4251 20.4251 k = 0.1532-0.2782-0.1677 ( 1600 PWs) bands (ev): -10.8312 -10.8312 -9.2078 -9.2078 -5.0881 -5.0881 -4.9679 -4.9679 -4.6783 -4.6783 -4.5193 -4.5193 -4.4587 -4.4587 1.8195 1.8195 4.9802 4.9802 5.7403 5.7403 5.9682 5.9682 6.2511 6.2511 6.9201 6.9201 6.9889 6.9889 7.9475 7.9475 8.2449 8.2449 8.7170 8.7170 8.8536 8.8536 11.3975 11.3975 15.0513 15.0513 15.7721 15.7721 20.3510 20.3510 k = 0.1613-0.2928-0.1765 ( 1602 PWs) bands (ev): -10.8054 -10.8054 -9.2113 -9.2113 -5.0848 -5.0848 -4.9600 -4.9600 -4.6736 -4.6736 -4.5184 -4.5184 -4.4516 -4.4516 1.8309 1.8309 4.8833 4.8833 5.6969 5.6969 5.9305 5.9305 6.2455 6.2455 6.9427 6.9427 6.9999 6.9999 7.9469 7.9469 8.2546 8.2546 8.7033 8.7033 8.8437 8.8437 11.4607 11.4607 15.0395 15.0395 15.8642 15.8642 20.2784 20.2784 k = 0.1694-0.3075-0.1854 ( 1606 PWs) bands (ev): -10.7785 -10.7785 -9.2150 -9.2150 -5.0815 -5.0815 -4.9517 -4.9517 -4.6691 -4.6691 -4.5172 -4.5172 -4.4438 -4.4438 1.8423 1.8423 4.7852 4.7852 5.6506 5.6506 5.8924 5.8924 6.2413 6.2413 6.9654 6.9654 7.0119 7.0119 7.9466 7.9466 8.2651 8.2651 8.6894 8.6894 8.8336 8.8336 11.5239 11.5239 15.0253 15.0253 15.9588 15.9588 20.2075 20.2075 k = 0.1774-0.3221-0.1942 ( 1603 PWs) bands (ev): -10.7506 -10.7506 -9.2188 -9.2188 -5.0785 -5.0785 -4.9431 -4.9431 -4.6649 -4.6649 -4.5158 -4.5158 -4.4351 -4.4351 1.8537 1.8537 4.6863 4.6863 5.6017 5.6017 5.8542 5.8542 6.2383 6.2383 6.9864 6.9864 7.0263 7.0263 7.9469 7.9469 8.2762 8.2762 8.6755 8.6755 8.8235 8.8235 11.5868 11.5868 15.0089 15.0089 16.0552 16.0552 20.1385 20.1385 k = 0.1855-0.3368-0.2030 ( 1599 PWs) bands (ev): -10.7218 -10.7218 -9.2227 -9.2227 -5.0755 -5.0755 -4.9343 -4.9343 -4.6609 -4.6609 -4.5142 -4.5142 -4.4255 -4.4255 1.8650 1.8650 4.5869 4.5869 5.5505 5.5505 5.8159 5.8159 6.2364 6.2364 7.0031 7.0031 7.0455 7.0455 7.9479 7.9479 8.2878 8.2878 8.6616 8.6616 8.8134 8.8134 11.6491 11.6491 14.9904 14.9904 16.1527 16.1527 20.0712 20.0712 k = 0.1935-0.3514-0.2118 ( 1601 PWs) bands (ev): -10.6920 -10.6920 -9.2267 -9.2267 -5.0729 -5.0729 -4.9254 -4.9254 -4.6575 -4.6575 -4.5124 -4.5124 -4.4150 -4.4150 1.8761 1.8761 4.4872 4.4872 5.4975 5.4975 5.7774 5.7774 6.2355 6.2355 7.0153 7.0153 7.0697 7.0697 7.9499 7.9499 8.2999 8.2999 8.6476 8.6476 8.8032 8.8032 11.7106 11.7106 14.9699 14.9699 16.2509 16.2509 20.0057 20.0057 k = 0.2016-0.3660-0.2207 ( 1601 PWs) bands (ev): -10.6615 -10.6615 -9.2309 -9.2309 -5.0704 -5.0704 -4.9163 -4.9163 -4.6543 -4.6543 -4.5103 -4.5103 -4.4036 -4.4036 1.8868 1.8868 4.3875 4.3875 5.4431 5.4431 5.7390 5.7390 6.2354 6.2354 7.0246 7.0246 7.0968 7.0968 7.9530 7.9530 8.3125 8.3125 8.6337 8.6337 8.7929 8.7929 11.7711 11.7711 14.9477 14.9477 16.3492 16.3492 19.9416 19.9416 k = 0.2097-0.3807-0.2295 ( 1601 PWs) bands (ev): -10.6301 -10.6301 -9.2353 -9.2353 -5.0681 -5.0681 -4.9072 -4.9072 -4.6516 -4.6516 -4.5080 -4.5080 -4.3914 -4.3914 1.8971 1.8971 4.2881 4.2881 5.3876 5.3876 5.7006 5.7006 6.2360 6.2360 7.0322 7.0322 7.1252 7.1252 7.9577 7.9577 8.3255 8.3255 8.6199 8.6199 8.7827 8.7827 11.8304 11.8304 14.9236 14.9236 16.4468 16.4468 19.8787 19.8787 k = 0.2177-0.3953-0.2383 ( 1604 PWs) bands (ev): -10.5980 -10.5980 -9.2398 -9.2398 -5.0660 -5.0660 -4.8981 -4.8981 -4.6493 -4.6493 -4.5055 -4.5055 -4.3782 -4.3782 1.9069 1.9069 4.1892 4.1892 5.3313 5.3313 5.6624 5.6624 6.2372 6.2372 7.0389 7.0389 7.1542 7.1542 7.9642 7.9642 8.3388 8.3388 8.6063 8.6063 8.7725 8.7725 11.8884 11.8884 14.8980 14.8980 16.5433 16.5433 19.8164 19.8164 k = 0.2258-0.4100-0.2471 ( 1602 PWs) bands (ev): -10.5652 -10.5652 -9.2443 -9.2443 -5.0641 -5.0641 -4.8889 -4.8889 -4.6473 -4.6473 -4.5028 -4.5028 -4.3642 -4.3642 1.9160 1.9160 4.0911 4.0911 5.2746 5.2746 5.6243 5.6243 6.2388 6.2388 7.0447 7.0447 7.1829 7.1829 7.9730 7.9730 8.3524 8.3524 8.5929 8.5929 8.7624 8.7624 11.9447 11.9447 14.8709 14.8709 16.6378 16.6378 19.7541 19.7541 k = 0.2339-0.4246-0.2560 ( 1603 PWs) bands (ev): -10.5317 -10.5317 -9.2491 -9.2491 -5.0623 -5.0623 -4.8799 -4.8799 -4.6456 -4.6456 -4.4999 -4.4999 -4.3494 -4.3494 1.9244 1.9244 3.9939 3.9939 5.2178 5.2178 5.5865 5.5865 6.2408 6.2408 7.0500 7.0500 7.2109 7.2109 7.9842 7.9842 8.3663 8.3663 8.5798 8.5798 8.7525 8.7525 11.9993 11.9993 14.8425 14.8425 16.7294 16.7294 19.6908 19.6908 k = 0.2419-0.4393-0.2648 ( 1605 PWs) bands (ev): -10.4977 -10.4977 -9.2539 -9.2539 -5.0608 -5.0608 -4.8711 -4.8711 -4.6443 -4.6443 -4.4969 -4.4969 -4.3338 -4.3338 1.9319 1.9319 3.8978 3.8978 5.1611 5.1611 5.5491 5.5491 6.2432 6.2432 7.0548 7.0548 7.2378 7.2378 7.9984 7.9984 8.3804 8.3804 8.5671 8.5671 8.7426 8.7426 12.0519 12.0519 14.8130 14.8130 16.8172 16.8172 19.6261 19.6261 k = 0.2500-0.4539-0.2736 ( 1609 PWs) bands (ev): -10.4633 -10.4633 -9.2589 -9.2589 -5.0595 -5.0595 -4.8624 -4.8624 -4.6432 -4.6432 -4.4938 -4.4938 -4.3175 -4.3175 1.9385 1.9385 3.8031 3.8031 5.1049 5.1049 5.5120 5.5120 6.2458 6.2458 7.0591 7.0591 7.2629 7.2629 8.0157 8.0157 8.3945 8.3945 8.5547 8.5547 8.7329 8.7329 12.1023 12.1023 14.7826 14.7826 16.9000 16.9000 19.5591 19.5591 k = 0.2581-0.4685-0.2824 ( 1610 PWs) bands (ev): -10.4283 -10.4283 -9.2640 -9.2640 -5.0583 -5.0583 -4.8539 -4.8539 -4.6422 -4.6422 -4.4905 -4.4905 -4.3005 -4.3005 1.9440 1.9440 3.7101 3.7101 5.0493 5.0493 5.4754 5.4754 6.2486 6.2486 7.0630 7.0630 7.2861 7.2861 8.0365 8.0365 8.4088 8.4088 8.5429 8.5429 8.7235 8.7235 12.1504 12.1504 14.7517 14.7517 16.9764 16.9764 19.4898 19.4898 k = 0.2661-0.4832-0.2913 ( 1610 PWs) bands (ev): -10.3931 -10.3931 -9.2692 -9.2692 -5.0573 -5.0573 -4.8457 -4.8457 -4.6414 -4.6414 -4.4871 -4.4871 -4.2830 -4.2830 1.9483 1.9483 3.6188 3.6188 4.9947 4.9947 5.4392 5.4392 6.2516 6.2516 7.0666 7.0666 7.3069 7.3069 8.0609 8.0609 8.4232 8.4232 8.5318 8.5318 8.7143 8.7143 12.1959 12.1959 14.7204 14.7204 17.0448 17.0448 19.4187 19.4187 k = 0.2742-0.4978-0.3001 ( 1612 PWs) bands (ev): -10.3575 -10.3575 -9.2745 -9.2745 -5.0564 -5.0564 -4.8378 -4.8378 -4.6407 -4.6407 -4.4836 -4.4836 -4.2651 -4.2651 1.9513 1.9513 3.5294 3.5294 4.9412 4.9412 5.4037 5.4037 6.2547 6.2547 7.0698 7.0698 7.3252 7.3252 8.0888 8.0888 8.4375 8.4375 8.5214 8.5214 8.7056 8.7056 12.2385 12.2385 14.6892 14.6892 17.1032 17.1032 19.3476 19.3476 k = 0.2823-0.5125-0.3089 ( 1615 PWs) bands (ev): -10.3217 -10.3217 -9.2800 -9.2800 -5.0558 -5.0558 -4.8302 -4.8302 -4.6400 -4.6400 -4.4800 -4.4800 -4.2467 -4.2467 1.9529 1.9529 3.4423 3.4423 4.8890 4.8890 5.3688 5.3688 6.2578 6.2578 7.0727 7.0727 7.3409 7.3409 8.1199 8.1199 8.4518 8.4518 8.5122 8.5122 8.6972 8.6972 12.2781 12.2781 14.6583 14.6583 17.1494 17.1494 19.2787 19.2787 k = 0.2903-0.5271-0.3178 ( 1620 PWs) bands (ev): -10.2858 -10.2858 -9.2856 -9.2856 -5.0553 -5.0553 -4.8231 -4.8231 -4.6394 -4.6394 -4.4765 -4.4765 -4.2280 -4.2280 1.9530 1.9530 3.3575 3.3575 4.8383 4.8383 5.3345 5.3345 6.2610 6.2610 7.0753 7.0753 7.3539 7.3539 8.1537 8.1537 8.4661 8.4661 8.5044 8.5044 8.6893 8.6893 12.3143 12.3143 14.6281 14.6281 17.1812 17.1812 19.2155 19.2155 k = 0.2984-0.5417-0.3266 ( 1620 PWs) bands (ev): -10.2499 -10.2499 -9.2913 -9.2913 -5.0549 -5.0549 -4.8163 -4.8163 -4.6386 -4.6386 -4.4728 -4.4728 -4.2090 -4.2090 1.9516 1.9516 3.2753 3.2753 4.7893 4.7893 5.3011 5.3011 6.2642 6.2642 7.0777 7.0777 7.3645 7.3645 8.1894 8.1894 8.4803 8.4803 8.4989 8.4989 8.6820 8.6820 12.3470 12.3470 14.5991 14.5991 17.1965 17.1965 19.1612 19.1612 k = 0.3065-0.5564-0.3354 ( 1619 PWs) bands (ev): -10.2139 -10.2139 -9.2971 -9.2971 -5.0547 -5.0547 -4.8100 -4.8100 -4.6378 -4.6378 -4.4691 -4.4691 -4.1898 -4.1898 1.9485 1.9485 3.1958 3.1958 4.7421 4.7421 5.2684 5.2684 6.2674 6.2674 7.0798 7.0798 7.3727 7.3727 8.2253 8.2253 8.4925 8.4925 8.4986 8.4986 8.6756 8.6756 12.3759 12.3759 14.5717 14.5717 17.1936 17.1936 19.1187 19.1187 k = 0.3145-0.5710-0.3442 ( 1617 PWs) bands (ev): -10.1780 -10.1780 -9.3031 -9.3031 -5.0546 -5.0546 -4.8042 -4.8042 -4.6368 -4.6368 -4.4654 -4.4654 -4.1705 -4.1705 1.9438 1.9438 3.1192 3.1192 4.6970 4.6970 5.2366 5.2366 6.2705 6.2705 7.0817 7.0817 7.3789 7.3789 8.2592 8.2592 8.4955 8.4955 8.5124 8.5124 8.6703 8.6703 12.4007 12.4007 14.5462 14.5462 17.1717 17.1717 19.0900 19.0900 k = 0.3226-0.5857-0.3531 ( 1618 PWs) bands (ev): -10.1424 -10.1424 -9.3093 -9.3093 -5.0546 -5.0546 -4.7988 -4.7988 -4.6356 -4.6356 -4.4618 -4.4618 -4.1513 -4.1513 1.9372 1.9372 3.0457 3.0457 4.6539 4.6539 5.2057 5.2057 6.2736 6.2736 7.0834 7.0834 7.3832 7.3832 8.2883 8.2883 8.5006 8.5006 8.5309 8.5309 8.6665 8.6665 12.4211 12.4211 14.5232 14.5232 17.1313 17.1313 19.0757 19.0757 k = 0.3306-0.6003-0.3619 ( 1618 PWs) bands (ev): -10.1069 -10.1069 -9.3156 -9.3156 -5.0548 -5.0548 -4.7940 -4.7940 -4.6343 -4.6343 -4.4581 -4.4581 -4.1322 -4.1322 1.9290 1.9290 2.9754 2.9754 4.6130 4.6130 5.1758 5.1758 6.2767 6.2767 7.0849 7.0849 7.3858 7.3858 8.3100 8.3100 8.5087 8.5087 8.5546 8.5546 8.6650 8.6650 12.4370 12.4370 14.5032 14.5032 17.0738 17.0738 19.0749 19.0749 k = 0.3387-0.6150-0.3707 ( 1614 PWs) bands (ev): -10.0718 -10.0718 -9.3221 -9.3221 -5.0550 -5.0550 -4.7897 -4.7897 -4.6328 -4.6328 -4.4545 -4.4545 -4.1132 -4.1132 1.9191 1.9191 2.9085 2.9085 4.5743 4.5743 5.1469 5.1469 6.2796 6.2796 7.0862 7.0862 7.3872 7.3872 8.3235 8.3235 8.5176 8.5176 8.5841 8.5841 8.6681 8.6681 12.4481 12.4481 14.4864 14.4864 17.0015 17.0015 19.0858 19.0858 k = 0.3468-0.6296-0.3795 ( 1616 PWs) bands (ev): -10.0371 -10.0371 -9.3288 -9.3288 -5.0553 -5.0553 -4.7859 -4.7859 -4.6311 -4.6311 -4.4511 -4.4511 -4.0945 -4.0945 1.9075 1.9075 2.8450 2.8450 4.5379 4.5379 5.1191 5.1191 6.2824 6.2824 7.0874 7.0874 7.3874 7.3874 8.3300 8.3300 8.5253 8.5253 8.6134 8.6134 8.6818 8.6818 12.4543 12.4543 14.4734 14.4734 16.9171 16.9171 19.1062 19.1062 k = 0.3548-0.6442-0.3884 ( 1622 PWs) bands (ev): -10.0029 -10.0029 -9.3357 -9.3357 -5.0559 -5.0559 -4.7827 -4.7827 -4.6293 -4.6293 -4.4476 -4.4476 -4.0762 -4.0762 1.8943 1.8943 2.7851 2.7851 4.5039 4.5039 5.0924 5.0924 6.2852 6.2852 7.0885 7.0885 7.3866 7.3866 8.3316 8.3316 8.5311 8.5311 8.6320 8.6320 8.7149 8.7149 12.4555 12.4555 14.4644 14.4644 16.8234 16.8234 19.1335 19.1335 k = 0.3629-0.6589-0.3972 ( 1620 PWs) bands (ev): -9.9692 -9.9692 -9.3429 -9.3429 -5.0564 -5.0564 -4.7799 -4.7799 -4.6273 -4.6273 -4.4443 -4.4443 -4.0582 -4.0582 1.8797 1.8797 2.7288 2.7288 4.4722 4.4722 5.0669 5.0669 6.2878 6.2878 7.0894 7.0894 7.3852 7.3852 8.3303 8.3303 8.5349 8.5349 8.6417 8.6417 8.7638 8.7638 12.4518 12.4518 14.4598 14.4598 16.7228 16.7228 19.1655 19.1655 k = 0.3710-0.6735-0.4060 ( 1620 PWs) bands (ev): -9.9362 -9.9362 -9.3503 -9.3503 -5.0570 -5.0570 -4.7775 -4.7775 -4.6251 -4.6251 -4.4410 -4.4410 -4.0408 -4.0408 1.8639 1.8639 2.6761 2.6761 4.4428 4.4428 5.0425 5.0425 6.2903 6.2903 7.0902 7.0902 7.3831 7.3831 8.3271 8.3271 8.5369 8.5369 8.6487 8.6487 8.8203 8.8203 12.4432 12.4432 14.4597 14.4597 16.6175 16.6175 19.2001 19.2001 k = 0.3790-0.6882-0.4148 ( 1613 PWs) bands (ev): -9.9038 -9.9038 -9.3579 -9.3579 -5.0576 -5.0576 -4.7755 -4.7755 -4.6228 -4.6228 -4.4378 -4.4378 -4.0239 -4.0239 1.8470 1.8470 2.6272 2.6272 4.4158 4.4158 5.0195 5.0195 6.2927 6.2927 7.0909 7.0909 7.3807 7.3807 8.3229 8.3229 8.5373 8.5373 8.6553 8.6553 8.8805 8.8805 12.4300 12.4300 14.4644 14.4644 16.5093 16.5093 19.2355 19.2355 k = 0.3871-0.7028-0.4237 ( 1609 PWs) bands (ev): -9.8722 -9.8722 -9.3659 -9.3659 -5.0582 -5.0582 -4.7739 -4.7739 -4.6204 -4.6204 -4.4348 -4.4348 -4.0077 -4.0077 1.8292 1.8292 2.5818 2.5818 4.3910 4.3910 4.9977 4.9977 6.2949 6.2949 7.0915 7.0915 7.3779 7.3779 8.3182 8.3182 8.5366 8.5366 8.6621 8.6621 8.9426 8.9426 12.4125 12.4125 14.4738 14.4738 16.3996 16.3996 19.2706 19.2706 k = 0.3952-0.7175-0.4325 ( 1607 PWs) bands (ev): -9.8415 -9.8415 -9.3742 -9.3742 -5.0589 -5.0589 -4.7726 -4.7726 -4.6181 -4.6181 -4.4319 -4.4319 -3.9923 -3.9923 1.8110 1.8110 2.5400 2.5400 4.3685 4.3685 4.9772 4.9772 6.2970 6.2970 7.0920 7.0920 7.3749 7.3749 8.3132 8.3132 8.5351 8.5351 8.6690 8.6690 9.0055 9.0055 12.3911 12.3911 14.4880 14.4880 16.2897 16.2897 19.3042 19.3042 k = 0.4032-0.7321-0.4413 ( 1603 PWs) bands (ev): -9.8116 -9.8116 -9.3829 -9.3829 -5.0596 -5.0596 -4.7716 -4.7716 -4.6157 -4.6157 -4.4292 -4.4292 -3.9777 -3.9777 1.7925 1.7925 2.5018 2.5018 4.3480 4.3480 4.9581 4.9581 6.2989 6.2989 7.0925 7.0925 7.3718 7.3718 8.3082 8.3082 8.5330 8.5330 8.6760 8.6760 9.0683 9.0683 12.3664 12.3664 14.5069 14.5069 16.1805 16.1805 19.3357 19.3357 k = 0.4113-0.7467-0.4501 ( 1611 PWs) bands (ev): -9.7827 -9.7827 -9.3920 -9.3920 -5.0604 -5.0604 -4.7709 -4.7709 -4.6134 -4.6134 -4.4267 -4.4267 -3.9641 -3.9641 1.7741 1.7741 2.4669 2.4670 4.3296 4.3296 4.9405 4.9405 6.3007 6.3007 7.0928 7.0928 7.3686 7.3686 8.3032 8.3032 8.5306 8.5306 8.6827 8.6827 9.1300 9.1300 12.3391 12.3391 14.5305 14.5305 16.0727 16.0727 19.3646 19.3646 k = 0.4194-0.7614-0.4590 ( 1615 PWs) bands (ev): -9.7547 -9.7547 -9.4016 -9.4016 -5.0612 -5.0612 -4.7704 -4.7704 -4.6112 -4.6112 -4.4244 -4.4244 -3.9513 -3.9513 1.7561 1.7561 2.4355 2.4355 4.3132 4.3132 4.9242 4.9242 6.3023 6.3023 7.0931 7.0931 7.3656 7.3656 8.2984 8.2984 8.5280 8.5280 8.6892 8.6892 9.1902 9.1902 12.3098 12.3098 14.5586 14.5586 15.9669 15.9669 19.3906 19.3906 k = 0.4274-0.7760-0.4678 ( 1619 PWs) bands (ev): -9.7278 -9.7278 -9.4116 -9.4116 -5.0619 -5.0619 -4.7701 -4.7701 -4.6092 -4.6092 -4.4223 -4.4223 -3.9396 -3.9396 1.7387 1.7387 2.4073 2.4073 4.2987 4.2987 4.9094 4.9094 6.3038 6.3038 7.0934 7.0934 7.3626 7.3626 8.2940 8.2940 8.5255 8.5255 8.6952 8.6952 9.2481 9.2481 12.2794 12.2794 14.5911 14.5911 15.8637 15.8637 19.4137 19.4137 k = 0.4355-0.7907-0.4766 ( 1616 PWs) bands (ev): -9.7018 -9.7018 -9.4221 -9.4221 -5.0626 -5.0626 -4.7699 -4.7699 -4.6072 -4.6072 -4.4203 -4.4203 -3.9289 -3.9289 1.7224 1.7224 2.3823 2.3823 4.2860 4.2860 4.8961 4.8961 6.3051 6.3051 7.0936 7.0936 7.3598 7.3598 8.2901 8.2901 8.5231 8.5231 8.7009 8.7009 9.3028 9.3028 12.2487 12.2487 14.6279 14.6279 15.7634 15.7634 19.4339 19.4339 k = 0.4435-0.8053-0.4855 ( 1617 PWs) bands (ev): -9.6770 -9.6770 -9.4333 -9.4333 -5.0632 -5.0632 -4.7698 -4.7698 -4.6054 -4.6054 -4.4186 -4.4186 -3.9193 -3.9193 1.7073 1.7073 2.3603 2.3603 4.2750 4.2750 4.8843 4.8843 6.3063 6.3063 7.0938 7.0938 7.3573 7.3573 8.2864 8.2864 8.5208 8.5208 8.7060 8.7060 9.3537 9.3537 12.2186 12.2186 14.6687 14.6687 15.6663 15.6663 19.4513 19.4513 k = 0.4516-0.8199-0.4943 ( 1615 PWs) bands (ev): -9.6532 -9.6532 -9.4450 -9.4450 -5.0637 -5.0637 -4.7697 -4.7697 -4.6038 -4.6038 -4.4171 -4.4171 -3.9109 -3.9109 1.6938 1.6938 2.3415 2.3415 4.2657 4.2657 4.8740 4.8740 6.3073 6.3073 7.0940 7.0940 7.3550 7.3550 8.2832 8.2832 8.5187 8.5187 8.7106 8.7106 9.4000 9.4000 12.1900 12.1900 14.7134 14.7134 15.5728 15.5728 19.4660 19.4660 k = 0.4597-0.8346-0.5031 ( 1621 PWs) bands (ev): -9.6305 -9.6305 -9.4575 -9.4575 -5.0643 -5.0643 -4.7698 -4.7698 -4.6025 -4.6025 -4.4158 -4.4158 -3.9038 -3.9038 1.6819 1.6819 2.3256 2.3256 4.2579 4.2579 4.8653 4.8653 6.3082 6.3082 7.0941 7.0941 7.3529 7.3529 8.2804 8.2804 8.5169 8.5169 8.7145 8.7145 9.4408 9.4408 12.1639 12.1639 14.7617 14.7617 15.4830 15.4830 19.4780 19.4780 k = 0.4677-0.8492-0.5119 ( 1621 PWs) bands (ev): -9.6089 -9.6089 -9.4706 -9.4706 -5.0647 -5.0647 -4.7698 -4.7698 -4.6013 -4.6013 -4.4147 -4.4147 -3.8979 -3.8979 1.6720 1.6720 2.3126 2.3126 4.2516 4.2516 4.8581 4.8581 6.3089 6.3089 7.0942 7.0942 7.3512 7.3512 8.2781 8.2781 8.5154 8.5154 8.7178 8.7178 9.4755 9.4755 12.1411 12.1411 14.8135 14.8135 15.3974 15.3974 19.4877 19.4877 k = 0.4758-0.8639-0.5208 ( 1624 PWs) bands (ev): -9.5885 -9.5885 -9.4844 -9.4844 -5.0651 -5.0651 -4.7699 -4.7699 -4.6004 -4.6004 -4.4139 -4.4139 -3.8933 -3.8933 1.6641 1.6641 2.3026 2.3026 4.2468 4.2468 4.8525 4.8525 6.3094 6.3094 7.0943 7.0943 7.3499 7.3499 8.2762 8.2762 8.5142 8.5142 8.7203 8.7203 9.5033 9.5033 12.1224 12.1224 14.8680 14.8680 15.3165 15.3165 19.4950 19.4950 k = 0.4839-0.8785-0.5296 ( 1626 PWs) bands (ev): -9.5692 -9.5692 -9.4989 -9.4989 -5.0653 -5.0653 -4.7699 -4.7699 -4.5998 -4.5998 -4.4133 -4.4133 -3.8900 -3.8900 1.6584 1.6584 2.2954 2.2954 4.2434 4.2434 4.8485 4.8485 6.3098 6.3098 7.0943 7.0943 7.3489 7.3489 8.2749 8.2749 8.5134 8.5134 8.7221 8.7221 9.5236 9.5236 12.1085 12.1085 14.9237 14.9237 15.2420 15.2420 19.5002 19.5002 k = 0.4919-0.8932-0.5384 ( 1632 PWs) bands (ev): -9.5516 -9.5516 -9.5137 -9.5137 -5.0655 -5.0655 -4.7700 -4.7700 -4.5995 -4.5995 -4.4131 -4.4131 -3.8880 -3.8880 1.6550 1.6550 2.2911 2.2911 4.2414 4.2414 4.8461 4.8461 6.3101 6.3101 7.0943 7.0943 7.3482 7.3482 8.2741 8.2741 8.5128 8.5128 8.7231 8.7231 9.5360 9.5360 12.0999 12.0999 14.9756 14.9756 15.1788 15.1788 19.5032 19.5032 k = 0.5000-0.9078-0.5472 ( 1632 PWs) bands (ev): -9.5403 -9.5403 -9.5239 -9.5239 -5.0656 -5.0656 -4.7700 -4.7700 -4.5993 -4.5993 -4.4129 -4.4129 -3.8874 -3.8874 1.6538 1.6538 2.2897 2.2897 4.2407 4.2407 4.8453 4.8453 6.3101 6.3101 7.0943 7.0943 7.3481 7.3481 8.2739 8.2739 8.5126 8.5126 8.7235 8.7235 9.5401 9.5401 12.0970 12.0970 15.0023 15.0023 15.1482 15.1482 19.5043 19.5043 k = 0.5000-0.9078-0.5472 ( 1632 PWs) bands (ev): -9.5403 -9.5403 -9.5239 -9.5239 -5.0656 -5.0656 -4.7700 -4.7700 -4.5993 -4.5993 -4.4129 -4.4129 -3.8874 -3.8874 1.6538 1.6538 2.2897 2.2897 4.2407 4.2407 4.8453 4.8453 6.3101 6.3101 7.0943 7.0943 7.3481 7.3481 8.2739 8.2739 8.5126 8.5126 8.7235 8.7235 9.5401 9.5401 12.0970 12.0970 15.0023 15.0023 15.1482 15.1482 19.5043 19.5043 k = 0.5000-0.8981-0.5633 ( 1626 PWs) bands (ev): -9.5403 -9.5403 -9.5237 -9.5237 -5.0652 -5.0652 -4.7699 -4.7699 -4.5990 -4.5990 -4.4129 -4.4129 -3.8876 -3.8876 1.6542 1.6542 2.2905 2.2905 4.2411 4.2411 4.8421 4.8421 6.3110 6.3110 7.0890 7.0890 7.3515 7.3515 8.2740 8.2740 8.5123 8.5123 8.7227 8.7227 9.5402 9.5402 12.0998 12.0998 15.0048 15.0048 15.1502 15.1502 19.5053 19.5053 k = 0.5000-0.8885-0.5793 ( 1624 PWs) bands (ev): -9.5402 -9.5402 -9.5229 -9.5229 -5.0644 -5.0644 -4.7699 -4.7699 -4.5982 -4.5982 -4.4131 -4.4131 -3.8884 -3.8884 1.6553 1.6553 2.2928 2.2928 4.2424 4.2424 4.8323 4.8323 6.3134 6.3134 7.0736 7.0736 7.3607 7.3607 8.2744 8.2744 8.5113 8.5113 8.7201 8.7201 9.5405 9.5405 12.1082 12.1082 15.0124 15.0124 15.1562 15.1562 19.5082 19.5082 k = 0.5000-0.8788-0.5953 ( 1622 PWs) bands (ev): -9.5401 -9.5401 -9.5216 -9.5216 -5.0631 -5.0631 -4.7699 -4.7699 -4.5969 -4.5969 -4.4133 -4.4133 -3.8896 -3.8896 1.6572 1.6572 2.2968 2.2968 4.2445 4.2445 4.8163 4.8163 6.3173 6.3173 7.0497 7.0497 7.3743 7.3743 8.2751 8.2751 8.5096 8.5096 8.7159 8.7159 9.5409 9.5409 12.1220 12.1220 15.0248 15.0248 15.1660 15.1660 19.5131 19.5131 k = 0.5000-0.8692-0.6113 ( 1618 PWs) bands (ev): -9.5399 -9.5399 -9.5199 -9.5199 -5.0612 -5.0612 -4.7698 -4.7698 -4.5952 -4.5952 -4.4136 -4.4136 -3.8914 -3.8914 1.6598 1.6598 2.3023 2.3023 4.2474 4.2474 4.7942 4.7942 6.3226 6.3226 7.0191 7.0191 7.3908 7.3908 8.2761 8.2761 8.5073 8.5073 8.7100 8.7100 9.5415 9.5415 12.1414 12.1414 15.0421 15.0421 15.1796 15.1796 19.5199 19.5199 k = 0.5000-0.8595-0.6273 ( 1618 PWs) bands (ev): -9.5396 -9.5396 -9.5176 -9.5176 -5.0588 -5.0588 -4.7698 -4.7698 -4.5929 -4.5929 -4.4140 -4.4140 -3.8937 -3.8937 1.6632 1.6632 2.3094 2.3094 4.2511 4.2511 4.7664 4.7664 6.3289 6.3289 6.9830 6.9830 7.4089 7.4089 8.2772 8.2772 8.5042 8.5042 8.7025 8.7025 9.5422 9.5422 12.1660 12.1660 15.0640 15.0640 15.1968 15.1968 19.5284 19.5284 k = 0.5000-0.8499-0.6434 ( 1618 PWs) bands (ev): -9.5393 -9.5393 -9.5149 -9.5149 -5.0559 -5.0559 -4.7698 -4.7698 -4.5901 -4.5901 -4.4145 -4.4145 -3.8966 -3.8966 1.6673 1.6673 2.3180 2.3180 4.2555 4.2555 4.7333 4.7333 6.3361 6.3361 6.9424 6.9424 7.4279 7.4279 8.2787 8.2787 8.5004 8.5004 8.6937 8.6937 9.5431 9.5431 12.1959 12.1959 15.0904 15.0904 15.2174 15.2174 19.5384 19.5384 k = 0.5000-0.8402-0.6594 ( 1614 PWs) bands (ev): -9.5389 -9.5389 -9.5117 -9.5117 -5.0525 -5.0525 -4.7699 -4.7699 -4.5867 -4.5867 -4.4150 -4.4150 -3.8999 -3.8999 1.6720 1.6720 2.3281 2.3281 4.2607 4.2607 4.6954 4.6954 6.3439 6.3439 6.8977 6.8977 7.4476 7.4476 8.2803 8.2803 8.4960 8.4960 8.6837 8.6837 9.5442 9.5442 12.2308 12.2308 15.1210 15.1210 15.2413 15.2413 19.5498 19.5498 k = 0.5000-0.8305-0.6754 ( 1618 PWs) bands (ev): -9.5385 -9.5385 -9.5082 -9.5082 -5.0487 -5.0487 -4.7702 -4.7702 -4.5829 -4.5829 -4.4156 -4.4156 -3.9038 -3.9038 1.6775 1.6775 2.3396 2.3396 4.2666 4.2666 4.6532 4.6532 6.3520 6.3520 6.8495 6.8495 7.4676 7.4676 8.2822 8.2822 8.4908 8.4908 8.6723 8.6723 9.5453 9.5453 12.2706 12.2706 15.1556 15.1556 15.2682 15.2682 19.5622 19.5622 k = 0.5000-0.8209-0.6914 ( 1614 PWs) bands (ev): -9.5380 -9.5380 -9.5041 -9.5041 -5.0444 -5.0444 -4.7704 -4.7704 -4.5785 -4.5785 -4.4162 -4.4162 -3.9082 -3.9082 1.6836 1.6836 2.3527 2.3527 4.2732 4.2732 4.6071 4.6071 6.3602 6.3602 6.7982 6.7982 7.4880 7.4880 8.2843 8.2843 8.4850 8.4850 8.6602 8.6602 9.5466 9.5466 12.3151 12.3151 15.1938 15.1938 15.2977 15.2977 19.5748 19.5748 k = 0.5000-0.8112-0.7074 ( 1612 PWs) bands (ev): -9.5375 -9.5375 -9.4997 -9.4997 -5.0396 -5.0396 -4.7708 -4.7708 -4.5735 -4.5735 -4.4168 -4.4168 -3.9131 -3.9131 1.6903 1.6903 2.3670 2.3670 4.2803 4.2803 4.5577 4.5577 6.3682 6.3682 6.7441 6.7441 7.5086 7.5086 8.2866 8.2866 8.4785 8.4785 8.6472 8.6472 9.5481 9.5481 12.3641 12.3641 15.2353 15.2353 15.3296 15.3296 19.5865 19.5865 k = 0.5000-0.8016-0.7234 ( 1612 PWs) bands (ev): -9.5369 -9.5369 -9.4949 -9.4949 -5.0344 -5.0344 -4.7714 -4.7714 -4.5682 -4.5682 -4.4174 -4.4174 -3.9185 -3.9185 1.6975 1.6975 2.3828 2.3828 4.2879 4.2879 4.5055 4.5055 6.3758 6.3758 6.6875 6.6875 7.5294 7.5294 8.2891 8.2891 8.4712 8.4712 8.6335 8.6335 9.5496 9.5496 12.4174 12.4174 15.2798 15.2798 15.3636 15.3636 19.5952 19.5952 k = 0.5000-0.7919-0.7395 ( 1614 PWs) bands (ev): -9.5362 -9.5362 -9.4898 -9.4898 -5.0289 -5.0289 -4.7721 -4.7721 -4.5622 -4.5622 -4.4180 -4.4180 -3.9244 -3.9244 1.7053 1.7053 2.3998 2.3998 4.2959 4.2959 4.4511 4.4511 6.3829 6.3829 6.6287 6.6287 7.5506 7.5506 8.2917 8.2917 8.4631 8.4631 8.6196 8.6196 9.5512 9.5512 12.4748 12.4748 15.3268 15.3268 15.3992 15.3992 19.5962 19.5962 k = 0.5000-0.7823-0.7555 ( 1620 PWs) bands (ev): -9.5355 -9.5355 -9.4844 -9.4844 -5.0231 -5.0231 -4.7730 -4.7730 -4.5559 -4.5559 -4.4185 -4.4185 -3.9309 -3.9309 1.7136 1.7136 2.4181 2.4181 4.3039 4.3039 4.3954 4.3954 6.3892 6.3892 6.5680 6.5680 7.5717 7.5717 8.2943 8.2943 8.4543 8.4543 8.6054 8.6054 9.5530 9.5530 12.5362 12.5362 15.3759 15.3759 15.4362 15.4362 19.5804 19.5804 k = 0.5000-0.7726-0.7715 ( 1618 PWs) bands (ev): -9.5348 -9.5348 -9.4787 -9.4787 -5.0168 -5.0168 -4.7741 -4.7741 -4.5491 -4.5491 -4.4188 -4.4188 -3.9378 -3.9378 1.7223 1.7223 2.4376 2.4376 4.3085 4.3085 4.3420 4.3420 6.3947 6.3947 6.5058 6.5058 7.5934 7.5934 8.2971 8.2971 8.4447 8.4447 8.5914 8.5914 9.5550 9.5550 12.6014 12.6014 15.4266 15.4266 15.4741 15.4741 19.5327 19.5327 k = 0.5000-0.7629-0.7875 ( 1618 PWs) bands (ev): -9.5339 -9.5339 -9.4728 -9.4728 -5.0103 -5.0103 -4.7754 -4.7754 -4.5419 -4.5419 -4.4189 -4.4189 -3.9453 -3.9453 1.7313 1.7313 2.4581 2.4581 4.2731 4.2731 4.3280 4.3280 6.3991 6.3991 6.4425 6.4425 7.6153 7.6153 8.2998 8.2998 8.4344 8.4344 8.5776 8.5776 9.5571 9.5571 12.6701 12.6701 15.4785 15.4785 15.5125 15.5125 19.4439 19.4439 k = 0.5000-0.7533-0.8035 ( 1618 PWs) bands (ev): -9.5330 -9.5330 -9.4667 -9.4667 -5.0035 -5.0035 -4.7768 -4.7768 -4.5344 -4.5344 -4.4187 -4.4187 -3.9532 -3.9532 1.7407 1.7407 2.4797 2.4797 4.2156 4.2156 4.3358 4.3358 6.3775 6.3775 6.4033 6.4033 7.6376 7.6376 8.3023 8.3023 8.4234 8.4234 8.5644 8.5644 9.5593 9.5593 12.7423 12.7423 15.5310 15.5310 15.5512 15.5512 19.3221 19.3221 k = 0.5000-0.7436-0.8196 ( 1618 PWs) bands (ev): -9.5321 -9.5321 -9.4605 -9.4605 -4.9964 -4.9964 -4.7785 -4.7785 -4.5267 -4.5267 -4.4181 -4.4181 -3.9617 -3.9617 1.7502 1.7502 2.5022 2.5022 4.1566 4.1566 4.3451 4.3451 6.3130 6.3130 6.4054 6.4054 7.6600 7.6600 8.3044 8.3044 8.4119 8.4119 8.5518 8.5518 9.5617 9.5617 12.8177 12.8177 15.5828 15.5828 15.5903 15.5903 19.1803 19.1803 k = 0.5000-0.7340-0.8356 ( 1620 PWs) bands (ev): -9.5311 -9.5311 -9.4541 -9.4541 -4.9892 -4.9892 -4.7805 -4.7805 -4.5190 -4.5190 -4.4171 -4.4171 -3.9706 -3.9706 1.7599 1.7599 2.5256 2.5256 4.0977 4.0977 4.3547 4.3547 6.2481 6.2481 6.4066 6.4066 7.6827 7.6827 8.3060 8.3060 8.4001 8.4001 8.5400 8.5400 9.5643 9.5643 12.8962 12.8962 15.6264 15.6264 15.6364 15.6364 19.0274 19.0274 k = 0.5000-0.7243-0.8516 ( 1618 PWs) bands (ev): -9.5301 -9.5301 -9.4477 -9.4477 -4.9818 -4.9818 -4.7825 -4.7825 -4.5113 -4.5113 -4.4153 -4.4153 -3.9800 -3.9800 1.7697 1.7697 2.5498 2.5498 4.0395 4.0395 4.3644 4.3644 6.1834 6.1834 6.4067 6.4067 7.7055 7.7055 8.3067 8.3067 8.3885 8.3885 8.5293 8.5293 9.5671 9.5671 12.9778 12.9778 15.6637 15.6637 15.6863 15.6863 18.8688 18.8688 k = 0.5000-0.7147-0.8676 ( 1620 PWs) bands (ev): -9.5290 -9.5290 -9.4413 -9.4413 -4.9744 -4.9744 -4.7849 -4.7849 -4.5040 -4.5040 -4.4127 -4.4127 -3.9898 -3.9898 1.7793 1.7793 2.5746 2.5746 3.9823 3.9823 4.3740 4.3740 6.1194 6.1194 6.4056 6.4056 7.7285 7.7285 8.3057 8.3057 8.3776 8.3776 8.5194 8.5194 9.5701 9.5701 13.0622 13.0622 15.6994 15.6994 15.7341 15.7341 18.7081 18.7081 k = 0.5000-0.7050-0.8836 ( 1620 PWs) bands (ev): -9.5278 -9.5278 -9.4349 -9.4349 -4.9668 -4.9668 -4.7875 -4.7875 -4.4971 -4.4971 -4.4092 -4.4092 -4.0000 -4.0000 1.7888 1.7888 2.5999 2.5999 3.9266 3.9266 4.3833 4.3833 6.0565 6.0565 6.4032 6.4032 7.7515 7.7515 8.3023 8.3023 8.3686 8.3686 8.5106 8.5106 9.5733 9.5733 13.1494 13.1494 15.7335 15.7335 15.7784 15.7784 18.5484 18.5484 k = 0.5000-0.6953-0.8997 ( 1618 PWs) bands (ev): -9.5266 -9.5266 -9.4287 -9.4287 -4.9592 -4.9592 -4.7902 -4.7902 -4.4910 -4.4910 -4.4044 -4.4044 -4.0107 -4.0107 1.7981 1.7981 2.6257 2.6257 3.8729 3.8729 4.3922 4.3922 5.9949 5.9949 6.3996 6.3996 7.7744 7.7744 8.2959 8.2959 8.3620 8.3620 8.5030 8.5030 9.5768 9.5768 13.2392 13.2392 15.7657 15.7657 15.8177 15.8177 18.3923 18.3923 k = 0.5000-0.6857-0.9157 ( 1616 PWs) bands (ev): -9.5253 -9.5253 -9.4226 -9.4226 -4.9515 -4.9515 -4.7931 -4.7931 -4.4858 -4.4858 -4.3983 -4.3983 -4.0217 -4.0217 1.8069 1.8069 2.6517 2.6517 3.8214 3.8214 4.4007 4.4007 5.9352 5.9352 6.3949 6.3949 7.7971 7.7971 8.2865 8.2865 8.3581 8.3581 8.4964 8.4964 9.5805 9.5805 13.3316 13.3316 15.7958 15.7958 15.8503 15.8503 18.2424 18.2424 k = 0.5000-0.6760-0.9317 ( 1620 PWs) bands (ev): -9.5240 -9.5240 -9.4167 -9.4167 -4.9440 -4.9440 -4.7962 -4.7962 -4.4816 -4.4816 -4.3909 -4.3909 -4.0331 -4.0331 1.8152 1.8152 2.6778 2.6778 3.7725 3.7725 4.4085 4.4085 5.8778 5.8778 6.3889 6.3889 7.8194 7.8194 8.2747 8.2747 8.3561 8.3561 8.4910 8.4910 9.5845 9.5845 13.4265 13.4265 15.8236 15.8236 15.8741 15.8741 18.1015 18.1015 k = 0.5000-0.6664-0.9477 ( 1622 PWs) bands (ev): -9.5227 -9.5227 -9.4111 -9.4111 -4.9366 -4.9366 -4.7995 -4.7995 -4.4782 -4.4782 -4.3822 -4.3822 -4.0449 -4.0449 1.8230 1.8230 2.7040 2.7040 3.7266 3.7266 4.4156 4.4156 5.8229 5.8229 6.3818 6.3818 7.8412 7.8412 8.2616 8.2616 8.3552 8.3552 8.4869 8.4869 9.5887 9.5887 13.5237 13.5237 15.8488 15.8488 15.8871 15.8871 17.9726 17.9726 k = 0.5000-0.6567-0.9637 ( 1620 PWs) bands (ev): -9.5212 -9.5212 -9.4059 -9.4059 -4.9292 -4.9292 -4.8029 -4.8029 -4.4756 -4.4756 -4.3725 -4.3725 -4.0569 -4.0569 1.8300 1.8300 2.7299 2.7299 3.6840 3.6840 4.4219 4.4219 5.7711 5.7711 6.3735 6.3735 7.8623 7.8623 8.2480 8.2480 8.3550 8.3550 8.4841 8.4841 9.5932 9.5932 13.6233 13.6233 15.8700 15.8700 15.8877 15.8877 17.8588 17.8588 k = 0.5000-0.6471-0.9798 ( 1620 PWs) bands (ev): -9.5197 -9.5197 -9.4010 -9.4010 -4.9221 -4.9221 -4.8064 -4.8064 -4.4737 -4.4737 -4.3619 -4.3619 -4.0691 -4.0691 1.8362 1.8362 2.7556 2.7556 3.6449 3.6449 4.4274 4.4274 5.7225 5.7225 6.3642 6.3642 7.8823 7.8823 8.2344 8.2344 8.3549 8.3549 8.4825 8.4825 9.5981 9.5981 13.7251 13.7251 15.8657 15.8657 15.8948 15.8948 17.7630 17.7630 k = 0.5000-0.6374-0.9958 ( 1624 PWs) bands (ev): -9.5182 -9.5182 -9.3966 -9.3966 -4.9153 -4.9153 -4.8100 -4.8100 -4.4723 -4.4723 -4.3507 -4.3507 -4.0816 -4.0816 1.8416 1.8416 2.7807 2.7807 3.6096 3.6096 4.4320 4.4320 5.6776 5.6776 6.3537 6.3537 7.9010 7.9010 8.2215 8.2215 8.3546 8.3546 8.4821 8.4821 9.6033 9.6033 13.8292 13.8292 15.8309 15.8309 15.9113 15.9113 17.6875 17.6875 k = 0.5000-0.6277-1.0118 ( 1626 PWs) bands (ev): -9.5166 -9.5166 -9.3927 -9.3927 -4.9087 -4.9087 -4.8137 -4.8137 -4.4713 -4.4713 -4.3392 -4.3392 -4.0940 -4.0940 1.8460 1.8460 2.8051 2.8051 3.5782 3.5782 4.4358 4.4358 5.6366 5.6366 6.3423 6.3423 7.9180 7.9180 8.2096 8.2096 8.3540 8.3540 8.4829 8.4829 9.6087 9.6087 13.9353 13.9353 15.7761 15.7761 15.9260 15.9260 17.6336 17.6336 k = 0.5000-0.6181-1.0278 ( 1628 PWs) bands (ev): -9.5150 -9.5150 -9.3895 -9.3895 -4.9026 -4.9026 -4.8173 -4.8173 -4.4706 -4.4706 -4.3275 -4.3275 -4.1065 -4.1065 1.8494 1.8494 2.8286 2.8286 3.5511 3.5511 4.4388 4.4388 5.5997 5.5997 6.3299 6.3299 7.9330 7.9330 8.1992 8.1992 8.3533 8.3533 8.4849 8.4849 9.6144 9.6144 14.0435 14.0435 15.7024 15.7024 15.9381 15.9381 17.6011 17.6011 k = 0.5000-0.6084-1.0438 ( 1626 PWs) bands (ev): -9.5132 -9.5132 -9.3868 -9.3868 -4.8969 -4.8969 -4.8208 -4.8208 -4.4701 -4.4701 -4.3159 -4.3159 -4.1187 -4.1187 1.8518 1.8518 2.8512 2.8512 3.5283 3.5283 4.4412 4.4412 5.5670 5.5670 6.3166 6.3166 7.9455 7.9455 8.1910 8.1910 8.3523 8.3523 8.4881 8.4881 9.6204 9.6204 14.1536 14.1536 15.6116 15.6116 15.9477 15.9477 17.5887 17.5887 k = 0.5000-0.5988-1.0599 ( 1626 PWs) bands (ev): -9.5115 -9.5115 -9.3850 -9.3850 -4.8918 -4.8918 -4.8240 -4.8240 -4.4697 -4.4697 -4.3047 -4.3047 -4.1306 -4.1306 1.8534 1.8534 2.8724 2.8724 3.5098 3.5098 4.4431 4.4431 5.5386 5.5386 6.3025 6.3025 7.9550 7.9550 8.1851 8.1851 8.3511 8.3511 8.4921 8.4921 9.6266 9.6266 14.2657 14.2657 15.5064 15.5064 15.9548 15.9548 17.5939 17.5939 k = 0.5000-0.5891-1.0759 ( 1628 PWs) bands (ev): -9.5096 -9.5096 -9.3839 -9.3839 -4.8875 -4.8875 -4.8270 -4.8270 -4.4695 -4.4695 -4.2943 -4.2943 -4.1417 -4.1417 1.8540 1.8540 2.8924 2.8924 3.4958 3.4958 4.4449 4.4449 5.5145 5.5145 6.2876 6.2876 7.9612 7.9612 8.1818 8.1818 8.3498 8.3498 8.4970 8.4970 9.6329 9.6329 14.3796 14.3796 15.3897 15.3897 15.9595 15.9595 17.6141 17.6141 k = 0.5000-0.5795-1.0919 ( 1626 PWs) bands (ev): -9.5077 -9.5077 -9.3836 -9.3836 -4.8842 -4.8842 -4.8294 -4.8294 -4.4694 -4.4694 -4.2852 -4.2852 -4.1517 -4.1517 1.8539 1.8539 2.9108 2.9108 3.4860 3.4860 4.4467 4.4467 5.4945 5.4945 6.2721 6.2721 7.9642 7.9642 8.1813 8.1813 8.3485 8.3485 8.5027 8.5027 9.6392 9.6392 14.4951 14.4951 15.2645 15.2645 15.9620 15.9620 17.6468 17.6468 k = 0.5000-0.5698-1.1079 ( 1626 PWs) bands (ev): -9.5058 -9.5058 -9.3843 -9.3843 -4.8820 -4.8820 -4.8311 -4.8311 -4.4693 -4.4693 -4.2782 -4.2782 -4.1598 -4.1598 1.8532 1.8532 2.9276 2.9276 3.4806 3.4806 4.4490 4.4490 5.4786 5.4786 6.2559 6.2559 7.9639 7.9639 8.1833 8.1833 8.3472 8.3472 8.5090 8.5090 9.6456 9.6456 14.6121 14.6121 15.1334 15.1334 15.9625 15.9625 17.6895 17.6895 k = 0.5000-0.5602-1.1239 ( 1626 PWs) bands (ev): -9.5038 -9.5038 -9.3859 -9.3859 -4.8811 -4.8811 -4.8318 -4.8318 -4.4694 -4.4694 -4.2740 -4.2740 -4.1654 -4.1654 1.8521 1.8521 2.9428 2.9428 3.4793 3.4793 4.4520 4.4520 5.4664 5.4664 6.2393 6.2393 7.9610 7.9610 8.1873 8.1873 8.3460 8.3460 8.5158 8.5158 9.6518 9.6518 14.7300 14.7300 14.9989 14.9989 15.9614 15.9614 17.7406 17.7406 k = 0.5000-0.5505-1.1400 ( 1626 PWs) bands (ev): -9.5018 -9.5018 -9.3885 -9.3885 -4.8816 -4.8816 -4.8317 -4.8317 -4.4694 -4.4694 -4.2733 -4.2733 -4.1677 -4.1677 1.8507 1.8507 2.9562 2.9562 3.4820 3.4820 4.4560 4.4560 5.4578 5.4578 6.2222 6.2222 7.9560 7.9560 8.1926 8.1926 8.3450 8.3450 8.5232 8.5232 9.6577 9.6577 14.8349 14.8349 14.8765 14.8765 15.9589 15.9589 17.7985 17.7985 k = 0.5000-0.5408-1.1560 ( 1624 PWs) bands (ev): -9.4996 -9.4996 -9.3923 -9.3923 -4.8834 -4.8834 -4.8307 -4.8307 -4.4696 -4.4696 -4.2763 -4.2763 -4.1666 -4.1666 1.8493 1.8493 2.9681 2.9681 3.4885 3.4885 4.4615 4.4615 5.4525 5.4525 6.2048 6.2048 7.9494 7.9494 8.1988 8.1988 8.3442 8.3442 8.5309 8.5309 9.6631 9.6631 14.7206 14.7206 14.9735 14.9735 15.9557 15.9557 17.8620 17.8620 k = 0.5000-0.5312-1.1720 ( 1624 PWs) bands (ev): -9.4975 -9.4975 -9.3971 -9.3971 -4.8861 -4.8861 -4.8291 -4.8291 -4.4698 -4.4698 -4.2826 -4.2826 -4.1627 -4.1627 1.8480 1.8480 2.9783 2.9783 3.4985 3.4985 4.4685 4.4685 5.4502 5.4502 6.1873 6.1873 7.9417 7.9417 8.2052 8.2052 8.3435 8.3435 8.5390 8.5390 9.6679 9.6679 14.5842 14.5842 15.0933 15.0933 15.9524 15.9524 17.9303 17.9303 k = 0.8183-0.4493-1.0170 ( 1624 PWs) bands (ev): -9.4975 -9.4975 -9.3971 -9.3971 -4.8861 -4.8861 -4.8291 -4.8291 -4.4698 -4.4698 -4.2826 -4.2826 -4.1627 -4.1627 1.8480 1.8480 2.9783 2.9783 3.4985 3.4985 4.4685 4.4685 5.4502 5.4502 6.1873 6.1873 7.9417 7.9417 8.2052 8.2052 8.3435 8.3435 8.5390 8.5390 9.6679 9.6679 14.5842 14.5842 15.0933 15.0933 15.9524 15.9524 17.9303 17.9303 k = 0.8136-0.4408-1.0009 ( 1620 PWs) bands (ev): -9.4952 -9.4952 -9.4032 -9.4032 -4.8896 -4.8896 -4.8271 -4.8271 -4.4700 -4.4700 -4.2911 -4.2911 -4.1569 -4.1569 1.8472 1.8472 2.9872 2.9872 3.5118 3.5118 4.4774 4.4774 5.4506 5.4506 6.1695 6.1695 7.9334 7.9334 8.2115 8.2115 8.3431 8.3431 8.5475 8.5475 9.6719 9.6719 14.4483 14.4483 15.2131 15.2131 15.9503 15.9503 18.0031 18.0031 k = 0.8089-0.4323-0.9848 ( 1616 PWs) bands (ev): -9.4929 -9.4929 -9.4105 -9.4105 -4.8937 -4.8937 -4.8250 -4.8250 -4.4703 -4.4703 -4.3012 -4.3012 -4.1499 -4.1499 1.8470 1.8470 2.9948 2.9948 3.5283 3.5283 4.4882 4.4882 5.4534 5.4534 6.1518 6.1518 7.9247 7.9247 8.2173 8.2173 8.3430 8.3430 8.5562 8.5562 9.6749 9.6749 14.3148 14.3148 15.3301 15.3301 15.9515 15.9515 18.0796 18.0796 k = 0.8043-0.4238-0.9687 ( 1616 PWs) bands (ev): -9.4906 -9.4906 -9.4191 -9.4191 -4.8983 -4.8983 -4.8228 -4.8228 -4.4708 -4.4708 -4.3123 -4.3123 -4.1426 -4.1426 1.8476 1.8476 3.0014 3.0014 3.5475 3.5475 4.5009 4.5009 5.4583 5.4583 6.1343 6.1343 7.9159 7.9159 8.2224 8.2224 8.3430 8.3430 8.5651 8.5651 9.6764 9.6764 14.1845 14.1845 15.4404 15.4404 15.9598 15.9598 18.1593 18.1593 k = 0.7996-0.4153-0.9526 ( 1618 PWs) bands (ev): -9.4882 -9.4882 -9.4290 -9.4290 -4.9032 -4.9032 -4.8207 -4.8207 -4.4715 -4.4715 -4.3238 -4.3238 -4.1353 -4.1353 1.8494 1.8494 3.0073 3.0073 3.5693 3.5693 4.5156 4.5156 5.4653 5.4653 6.1171 6.1171 7.9071 7.9071 8.2265 8.2265 8.3434 8.3434 8.5741 8.5741 9.6762 9.6762 14.0581 14.0581 15.5373 15.5373 15.9820 15.9820 18.2420 18.2420 k = 0.7949-0.4068-0.9365 ( 1618 PWs) bands (ev): -9.4857 -9.4857 -9.4402 -9.4402 -4.9083 -4.9083 -4.8187 -4.8187 -4.4722 -4.4722 -4.3356 -4.3356 -4.1283 -4.1283 1.8523 1.8523 3.0127 3.0127 3.5933 3.5933 4.5322 4.5322 5.4739 5.4739 6.1003 6.1003 7.8985 7.8985 8.2296 8.2296 8.3440 8.3440 8.5833 8.5833 9.6741 9.6741 13.9363 13.9363 15.6113 15.6113 16.0278 16.0278 18.3275 18.3275 k = 0.7902-0.3983-0.9204 ( 1612 PWs) bands (ev): -9.4832 -9.4832 -9.4527 -9.4527 -4.9134 -4.9134 -4.8169 -4.8169 -4.4732 -4.4732 -4.3472 -4.3472 -4.1217 -4.1217 1.8566 1.8566 3.0180 3.0180 3.6193 3.6193 4.5504 4.5504 5.4840 5.4840 6.0841 6.0841 7.8903 7.8903 8.2315 8.2315 8.3450 8.3450 8.5926 8.5926 9.6697 9.6697 13.8196 13.8196 15.6562 15.6562 16.1033 16.1033 18.4155 18.4155 k = 0.7855-0.3898-0.9043 ( 1616 PWs) bands (ev): -9.4807 -9.4807 -9.4667 -9.4667 -4.9188 -4.9188 -4.8153 -4.8153 -4.4744 -4.4744 -4.3589 -4.3589 -4.1159 -4.1159 1.8625 1.8625 3.0235 3.0235 3.6469 3.6469 4.5702 4.5702 5.4955 5.4955 6.0686 6.0686 7.8824 7.8824 8.2321 8.2321 8.3463 8.3463 8.6019 8.6019 9.6627 9.6627 13.7084 13.7084 15.6756 15.6756 16.2050 16.2050 18.5060 18.5060 k = 0.7809-0.3813-0.8882 ( 1618 PWs) bands (ev): -9.4821 -9.4821 -9.4779 -9.4779 -4.9242 -4.9242 -4.8139 -4.8139 -4.4758 -4.4758 -4.3702 -4.3702 -4.1110 -4.1110 1.8701 1.8701 3.0295 3.0295 3.6761 3.6761 4.5914 4.5914 5.5082 5.5082 6.0540 6.0540 7.8749 7.8749 8.2313 8.2313 8.3479 8.3479 8.6113 8.6113 9.6529 9.6529 13.6033 13.6033 15.6781 15.6781 16.3244 16.3244 18.5989 18.5989 k = 0.7762-0.3728-0.8721 ( 1616 PWs) bands (ev): -9.4987 -9.4987 -9.4753 -9.4753 -4.9296 -4.9296 -4.8127 -4.8127 -4.4774 -4.4774 -4.3812 -4.3812 -4.1068 -4.1068 1.8794 1.8794 3.0363 3.0363 3.7064 3.7064 4.6137 4.6137 5.5221 5.5221 6.0405 6.0405 7.8679 7.8679 8.2291 8.2291 8.3500 8.3500 8.6207 8.6207 9.6400 9.6400 13.5046 13.5046 15.6703 15.6703 16.4547 16.4547 18.6941 18.6941 k = 0.7715-0.3643-0.8560 ( 1616 PWs) bands (ev): -9.5167 -9.5167 -9.4726 -9.4726 -4.9350 -4.9350 -4.8117 -4.8117 -4.4794 -4.4794 -4.3917 -4.3917 -4.1037 -4.1037 1.8905 1.8905 3.0443 3.0443 3.7377 3.7377 4.6369 4.6369 5.5369 5.5369 6.0282 6.0282 7.8614 7.8614 8.2254 8.2254 8.3524 8.3524 8.6301 8.6301 9.6238 9.6238 13.4125 13.4125 15.6562 15.6562 16.5922 16.5922 18.7912 18.7912 k = 0.7668-0.3558-0.8399 ( 1616 PWs) bands (ev): -9.5362 -9.5362 -9.4699 -9.4699 -4.9404 -4.9404 -4.8110 -4.8110 -4.4818 -4.4818 -4.4017 -4.4017 -4.1016 -4.1016 1.9035 1.9035 3.0537 3.0537 3.7697 3.7697 4.6607 4.6607 5.5526 5.5526 6.0172 6.0172 7.8554 7.8554 8.2201 8.2201 8.3554 8.3554 8.6395 8.6395 9.6039 9.6039 13.3274 13.3274 15.6377 15.6377 16.7347 16.7347 18.8890 18.8890 k = 0.7621-0.3473-0.8238 ( 1614 PWs) bands (ev): -9.5569 -9.5569 -9.4671 -9.4671 -4.9457 -4.9457 -4.8104 -4.8104 -4.4846 -4.4846 -4.4111 -4.4111 -4.1005 -4.1005 1.9185 1.9185 3.0647 3.0647 3.8023 3.8023 4.6851 4.6851 5.5691 5.5691 6.0078 6.0078 7.8499 7.8499 8.2133 8.2133 8.3587 8.3587 8.6489 8.6489 9.5804 9.5804 13.2495 13.2495 15.6161 15.6161 16.8810 16.8810 18.9339 18.9339 k = 0.7575-0.3388-0.8077 ( 1610 PWs) bands (ev): -9.5790 -9.5790 -9.4643 -9.4643 -4.9510 -4.9510 -4.8101 -4.8101 -4.4878 -4.4878 -4.4199 -4.4199 -4.1005 -4.1005 1.9353 1.9353 3.0776 3.0776 3.8351 3.8351 4.7096 4.7096 5.5864 5.5864 6.0000 6.0000 7.8449 7.8449 8.2049 8.2049 8.3626 8.3626 8.6582 8.6582 9.5531 9.5531 13.1788 13.1788 15.5919 15.5919 17.0305 17.0305 18.8863 18.8863 k = 0.7528-0.3303-0.7916 ( 1604 PWs) bands (ev): -9.6024 -9.6024 -9.4614 -9.4614 -4.9561 -4.9561 -4.8099 -4.8099 -4.4916 -4.4916 -4.4279 -4.4279 -4.1016 -4.1016 1.9541 1.9541 3.0926 3.0926 3.8682 3.8682 4.7341 4.7341 5.6045 5.6045 5.9941 5.9941 7.8405 7.8405 8.1949 8.1949 8.3668 8.3668 8.6676 8.6676 9.5222 9.5222 13.1154 13.1154 15.5655 15.5655 17.1826 17.1826 18.8363 18.8363 k = 0.7481-0.3218-0.7755 ( 1604 PWs) bands (ev): -9.6270 -9.6270 -9.4585 -9.4585 -4.9612 -4.9612 -4.8100 -4.8100 -4.4959 -4.4959 -4.4352 -4.4352 -4.1039 -4.1039 1.9748 1.9748 3.1097 3.1097 3.9012 3.9012 4.7585 4.7585 5.6232 5.6232 5.9902 5.9902 7.8365 7.8365 8.1832 8.1832 8.3715 8.3715 8.6768 8.6768 9.4875 9.4875 13.0592 13.0592 15.5371 15.5371 17.3371 17.3371 18.7874 18.7874 k = 0.7434-0.3133-0.7594 ( 1612 PWs) bands (ev): -9.6528 -9.6528 -9.4556 -9.4556 -4.9662 -4.9662 -4.8104 -4.8104 -4.5008 -4.5008 -4.4420 -4.4420 -4.1074 -4.1074 1.9973 1.9973 3.1292 3.1292 3.9340 3.9340 4.7824 4.7824 5.6425 5.6425 5.9883 5.9883 7.8329 7.8329 8.1699 8.1699 8.3764 8.3764 8.6858 8.6858 9.4493 9.4493 13.0100 13.0100 15.5067 15.5067 17.4935 17.4935 18.7405 18.7405 k = 0.7387-0.3048-0.7433 ( 1610 PWs) bands (ev): -9.6798 -9.6798 -9.4527 -9.4527 -4.9711 -4.9711 -4.8109 -4.8109 -4.5061 -4.5061 -4.4479 -4.4479 -4.1118 -4.1118 2.0216 2.0216 3.1510 3.1510 3.9665 3.9665 4.8059 4.8059 5.6624 5.6624 5.9887 5.9887 7.8299 7.8299 8.1550 8.1550 8.3818 8.3818 8.6949 8.6949 9.4080 9.4080 12.9677 12.9677 15.4744 15.4744 17.6515 17.6515 18.6960 18.6960 k = 0.7340-0.2963-0.7272 ( 1614 PWs) bands (ev): -9.7079 -9.7079 -9.4497 -9.4497 -4.9758 -4.9758 -4.8116 -4.8116 -4.5118 -4.5118 -4.4532 -4.4532 -4.1174 -4.1174 2.0476 2.0476 3.1754 3.1754 3.9987 3.9987 4.8287 4.8287 5.6828 5.6828 5.9913 5.9913 7.8273 7.8273 8.1386 8.1386 8.3875 8.3875 8.7038 8.7038 9.3638 9.3638 12.9320 12.9320 15.4401 15.4401 17.8105 17.8105 18.6547 18.6547 k = 0.7294-0.2878-0.7111 ( 1616 PWs) bands (ev): -9.7371 -9.7371 -9.4467 -9.4467 -4.9805 -4.9805 -4.8126 -4.8126 -4.5179 -4.5179 -4.4580 -4.4580 -4.1240 -4.1240 2.0752 2.0752 3.2023 3.2023 4.0305 4.0305 4.8508 4.8508 5.7038 5.7038 5.9964 5.9964 7.8249 7.8249 8.1205 8.1205 8.3936 8.3936 8.7126 8.7126 9.3171 9.3171 12.9025 12.9025 15.4038 15.4038 17.9694 17.9694 18.6179 18.6179 k = 0.7247-0.2793-0.6951 ( 1616 PWs) bands (ev): -9.7672 -9.7672 -9.4437 -9.4437 -4.9849 -4.9849 -4.8138 -4.8138 -4.5241 -4.5241 -4.4624 -4.4624 -4.1316 -4.1316 2.1043 2.1043 3.2316 3.2316 4.0618 4.0618 4.8721 4.8721 5.7253 5.7253 6.0038 6.0038 7.8229 7.8229 8.1008 8.1008 8.4000 8.4000 8.7213 8.7213 9.2683 9.2683 12.8789 12.8789 15.3652 15.3652 18.1256 18.1256 18.5886 18.5886 k = 0.7200-0.2708-0.6790 ( 1616 PWs) bands (ev): -9.7983 -9.7983 -9.4407 -9.4407 -4.9892 -4.9892 -4.8152 -4.8152 -4.5304 -4.5304 -4.4664 -4.4664 -4.1401 -4.1401 2.1346 2.1346 3.2635 3.2635 4.0926 4.0926 4.8924 4.8924 5.7471 5.7471 6.0138 6.0138 7.8210 7.8210 8.0796 8.0796 8.4067 8.4067 8.7298 8.7298 9.2180 9.2180 12.8607 12.8607 15.3245 15.3245 18.2703 18.2703 18.5756 18.5756 k = 0.7153-0.2624-0.6629 ( 1616 PWs) bands (ev): -9.8301 -9.8301 -9.4377 -9.4377 -4.9934 -4.9934 -4.8169 -4.8169 -4.5368 -4.5368 -4.4702 -4.4702 -4.1495 -4.1495 2.1662 2.1662 3.2977 3.2977 4.1231 4.1231 4.9119 4.9119 5.7693 5.7693 6.0262 6.0262 7.8192 7.8192 8.0569 8.0569 8.4136 8.4136 8.7383 8.7383 9.1667 9.1667 12.8474 12.8474 15.2812 15.2812 18.3734 18.3734 18.6092 18.6092 k = 0.7106-0.2539-0.6468 ( 1612 PWs) bands (ev): -9.8628 -9.8628 -9.4347 -9.4347 -4.9974 -4.9974 -4.8189 -4.8189 -4.5431 -4.5431 -4.4738 -4.4738 -4.1597 -4.1597 2.1987 2.1987 3.3343 3.3343 4.1533 4.1533 4.9304 4.9304 5.7919 5.7919 6.0410 6.0410 7.8172 7.8172 8.0330 8.0330 8.4208 8.4208 8.7465 8.7465 9.1149 9.1149 12.8387 12.8387 15.2355 15.2355 18.4046 18.4046 18.7199 18.7199 k = 0.7060-0.2454-0.6307 ( 1612 PWs) bands (ev): -9.8961 -9.8961 -9.4317 -9.4317 -5.0014 -5.0014 -4.8211 -4.8211 -4.5493 -4.5493 -4.4772 -4.4772 -4.1707 -4.1707 2.2321 2.2321 3.3732 3.3732 4.1833 4.1833 4.9481 4.9481 5.8147 5.8147 6.0582 6.0582 7.8146 7.8146 8.0081 8.0081 8.4282 8.4282 8.7545 8.7545 9.0630 9.0630 12.8341 12.8341 15.1872 15.1872 18.4005 18.4005 18.8712 18.8712 k = 0.7013-0.2369-0.6146 ( 1616 PWs) bands (ev): -9.9301 -9.9301 -9.4287 -9.4287 -5.0052 -5.0052 -4.8237 -4.8237 -4.5555 -4.5555 -4.4804 -4.4804 -4.1824 -4.1824 2.2661 2.2661 3.4141 3.4141 4.2132 4.2132 4.9649 4.9649 5.8376 5.8376 6.0777 6.0777 7.8108 7.8108 7.9828 7.9828 8.4356 8.4356 8.7623 8.7623 9.0116 9.0116 12.8331 12.8331 15.1360 15.1360 18.3886 18.3886 19.0350 19.0350 k = 0.6966-0.2284-0.5985 ( 1614 PWs) bands (ev): -9.9645 -9.9645 -9.4258 -9.4258 -5.0089 -5.0089 -4.8265 -4.8265 -4.5615 -4.5615 -4.4835 -4.4835 -4.1946 -4.1946 2.3005 2.3005 3.4568 3.4568 4.2434 4.2434 4.9811 4.9811 5.8606 5.8606 6.0993 6.0993 7.8050 7.8050 7.9580 7.9580 8.4433 8.4433 8.7697 8.7697 8.9614 8.9614 12.8354 12.8354 15.0820 15.0820 18.3769 18.3769 19.1829 19.1829 k = 0.6919-0.2199-0.5824 ( 1614 PWs) bands (ev): -9.9995 -9.9995 -9.4228 -9.4228 -5.0125 -5.0125 -4.8297 -4.8297 -4.5674 -4.5674 -4.4865 -4.4865 -4.2074 -4.2074 2.3351 2.3351 3.5013 3.5013 4.2739 4.2739 4.9966 4.9966 5.8837 5.8837 6.1230 6.1230 7.7957 7.7957 7.9352 7.9352 8.4510 8.4510 8.7766 8.7766 8.9128 8.9128 12.8405 12.8405 15.0250 15.0250 18.3679 18.3679 19.1098 19.1098 k = 0.6872-0.2114-0.5663 ( 1612 PWs) bands (ev): -10.0348 -10.0348 -9.4198 -9.4198 -5.0159 -5.0159 -4.8332 -4.8332 -4.5731 -4.5731 -4.4894 -4.4894 -4.2206 -4.2206 2.3696 2.3696 3.5473 3.5473 4.3051 4.3051 5.0117 5.0117 5.9067 5.9067 6.1485 6.1485 7.7811 7.7811 7.9162 7.9162 8.4587 8.4587 8.7824 8.7824 8.8670 8.8670 12.8481 12.8481 14.9651 14.9651 18.3627 18.3627 19.0140 19.0140 k = 0.6826-0.2029-0.5502 ( 1610 PWs) bands (ev): -10.0704 -10.0704 -9.4169 -9.4169 -5.0193 -5.0193 -4.8370 -4.8370 -4.5786 -4.5786 -4.4921 -4.4921 -4.2342 -4.2342 2.4038 2.4038 3.5944 3.5944 4.3371 4.3371 5.0266 5.0266 5.9295 5.9295 6.1758 6.1758 7.7599 7.7599 7.9023 7.9023 8.4664 8.4664 8.7835 8.7835 8.8277 8.8277 12.8577 12.8577 14.9021 14.9021 18.3617 18.3617 18.9150 18.9150 k = 0.6779-0.1944-0.5341 ( 1610 PWs) bands (ev): -10.1062 -10.1062 -9.4141 -9.4141 -5.0227 -5.0227 -4.8412 -4.8412 -4.5840 -4.5840 -4.4948 -4.4948 -4.2480 -4.2480 2.4376 2.4376 3.6424 3.6424 4.3703 4.3703 5.0415 5.0415 5.9522 5.9522 6.2046 6.2046 7.7322 7.7322 7.8936 7.8936 8.4737 8.4737 8.7643 8.7643 8.8109 8.8109 12.8692 12.8692 14.8361 14.8361 18.3651 18.3651 18.8139 18.8139 k = 0.6732-0.1859-0.5180 ( 1610 PWs) bands (ev): -10.1421 -10.1421 -9.4112 -9.4112 -5.0260 -5.0260 -4.8458 -4.8458 -4.5892 -4.5892 -4.4973 -4.4973 -4.2620 -4.2620 2.4705 2.4705 3.6909 3.6909 4.4048 4.4048 5.0566 5.0566 5.9745 5.9745 6.2347 6.2347 7.6993 7.6993 7.8889 7.8889 8.4805 8.4805 8.7292 8.7292 8.8126 8.8126 12.8821 12.8821 14.7671 14.7671 18.3726 18.3726 18.7116 18.7116 k = 0.6685-0.1774-0.5019 ( 1610 PWs) bands (ev): -10.1781 -10.1781 -9.4085 -9.4085 -5.0292 -5.0292 -4.8507 -4.8507 -4.5943 -4.5943 -4.4997 -4.4997 -4.2761 -4.2761 2.5025 2.5025 3.7395 3.7395 4.4410 4.4410 5.0723 5.0723 5.9965 5.9965 6.2659 6.2659 7.6626 7.6626 7.8872 7.8872 8.4862 8.4862 8.6940 8.6940 8.8177 8.8177 12.8962 12.8962 14.6951 14.6951 18.3828 18.3828 18.6103 18.6103 k = 0.6638-0.1689-0.4858 ( 1610 PWs) bands (ev): -10.2140 -10.2140 -9.4057 -9.4057 -5.0324 -5.0324 -4.8560 -4.8560 -4.5992 -4.5992 -4.5020 -4.5020 -4.2902 -4.2902 2.5333 2.5333 3.7878 3.7878 4.4792 4.4792 5.0888 5.0888 6.0180 6.0180 6.2981 6.2981 7.6233 7.6233 7.8873 7.8873 8.4903 8.4903 8.6619 8.6619 8.8234 8.8234 12.9113 12.9113 14.6204 14.6204 18.3880 18.3880 18.5179 18.5179 k = 0.6592-0.1604-0.4697 ( 1610 PWs) bands (ev): -10.2498 -10.2498 -9.4030 -9.4030 -5.0356 -5.0356 -4.8616 -4.8616 -4.6041 -4.6041 -4.5041 -4.5041 -4.3042 -4.3042 2.5628 2.5628 3.8354 3.8354 4.5194 4.5194 5.1066 5.1066 6.0390 6.0390 6.3310 6.3310 7.5822 7.5822 7.8887 7.8887 8.4914 8.4914 8.6349 8.6349 8.8291 8.8291 12.9272 12.9272 14.5429 14.5429 18.3495 18.3495 18.4735 18.4735 k = 0.6545-0.1519-0.4536 ( 1604 PWs) bands (ev): -10.2854 -10.2854 -9.4004 -9.4004 -5.0387 -5.0387 -4.8675 -4.8675 -4.6088 -4.6088 -4.5060 -4.5060 -4.3180 -4.3180 2.5907 2.5907 3.8817 3.8817 4.5618 4.5618 5.1260 5.1260 6.0595 6.0595 6.3645 6.3645 7.5401 7.5401 7.8911 7.8911 8.4880 8.4880 8.6147 8.6147 8.8348 8.8348 12.9436 12.9436 14.4628 14.4628 18.2582 18.2582 18.4866 18.4866 k = 0.6498-0.1434-0.4375 ( 1604 PWs) bands (ev): -10.3208 -10.3208 -9.3978 -9.3978 -5.0419 -5.0419 -4.8738 -4.8738 -4.6135 -4.6135 -4.5078 -4.5078 -4.3317 -4.3317 2.6169 2.6169 3.9263 3.9263 4.6067 4.6067 5.1475 5.1475 6.0794 6.0794 6.3983 6.3983 7.4974 7.4974 7.8941 7.8941 8.4784 8.4784 8.6026 8.6026 8.8404 8.8404 12.9604 12.9604 14.3802 14.3802 18.1540 18.1540 18.5173 18.5173 k = 0.6451-0.1349-0.4214 ( 1606 PWs) bands (ev): -10.3558 -10.3558 -9.3953 -9.3953 -5.0451 -5.0451 -4.8804 -4.8804 -4.6182 -4.6182 -4.5095 -4.5095 -4.3450 -4.3450 2.6414 2.6414 3.9687 3.9687 4.6541 4.6541 5.1714 5.1714 6.0986 6.0986 6.4323 6.4323 7.4545 7.4545 7.8975 7.8975 8.4632 8.4632 8.5981 8.5981 8.8457 8.8457 12.9773 12.9773 14.2953 14.2953 18.0466 18.0466 18.5561 18.5561 k = 0.6404-0.1264-0.4053 ( 1602 PWs) bands (ev): -10.3904 -10.3904 -9.3928 -9.3928 -5.0483 -5.0483 -4.8872 -4.8872 -4.6228 -4.6228 -4.5109 -4.5109 -4.3579 -4.3579 2.6640 2.6640 4.0083 4.0083 4.7040 4.7040 5.1980 5.1980 6.1170 6.1170 6.4663 6.4663 7.4120 7.4120 7.9013 7.9013 8.4444 8.4444 8.5992 8.5992 8.8509 8.8509 12.9944 12.9944 14.2084 14.2084 17.9382 17.9382 18.6011 18.6011 k = 0.6357-0.1179-0.3892 ( 1604 PWs) bands (ev): -10.4245 -10.4245 -9.3905 -9.3905 -5.0515 -5.0515 -4.8943 -4.8943 -4.6274 -4.6274 -4.5122 -4.5122 -4.3704 -4.3704 2.6847 2.6847 4.0448 4.0448 4.7565 4.7565 5.2278 5.2278 6.1347 6.1347 6.5001 6.5001 7.3701 7.3701 7.9053 7.9053 8.4240 8.4240 8.6038 8.6038 8.8557 8.8557 13.0114 13.0114 14.1196 14.1196 17.8295 17.8295 18.6513 18.6513 k = 0.6311-0.1094-0.3731 ( 1602 PWs) bands (ev): -10.4581 -10.4581 -9.3881 -9.3881 -5.0548 -5.0548 -4.9015 -4.9015 -4.6321 -4.6321 -4.5134 -4.5134 -4.3824 -4.3824 2.7035 2.7035 4.0777 4.0777 4.8116 4.8116 5.2608 5.2608 6.1516 6.1516 6.5336 6.5336 7.3291 7.3291 7.9094 7.9094 8.4032 8.4032 8.6105 8.6105 8.8604 8.8604 13.0282 13.0282 14.0291 14.0291 17.7210 17.7210 18.7066 18.7066 k = 0.6264-0.1009-0.3571 ( 1608 PWs) bands (ev): -10.4911 -10.4911 -9.3859 -9.3859 -5.0582 -5.0582 -4.9089 -4.9089 -4.6369 -4.6369 -4.5144 -4.5144 -4.3938 -4.3938 2.7204 2.7204 4.1070 4.1070 4.8690 4.8690 5.2973 5.2973 6.1676 6.1676 6.5667 6.5667 7.2892 7.2892 7.9135 7.9135 8.3828 8.3828 8.6185 8.6185 8.8648 8.8648 13.0448 13.0448 13.9372 13.9372 17.6131 17.6131 18.7665 18.7665 k = 0.6217-0.0924-0.3410 ( 1606 PWs) bands (ev): -10.5234 -10.5234 -9.3838 -9.3838 -5.0616 -5.0616 -4.9163 -4.9163 -4.6417 -4.6417 -4.5152 -4.5152 -4.4046 -4.4046 2.7356 2.7356 4.1323 4.1323 4.9287 4.9287 5.3372 5.3372 6.1827 6.1827 6.5991 6.5991 7.2509 7.2509 7.9177 7.9177 8.3632 8.3632 8.6273 8.6273 8.8690 8.8690 13.0610 13.0610 13.8441 13.8441 17.5059 17.5059 18.8307 18.8307 k = 0.6170-0.0839-0.3249 ( 1604 PWs) bands (ev): -10.5549 -10.5549 -9.3817 -9.3817 -5.0651 -5.0651 -4.9238 -4.9238 -4.6466 -4.6466 -4.5159 -4.5159 -4.4148 -4.4148 2.7489 2.7489 4.1537 4.1537 4.9906 4.9906 5.3805 5.3805 6.1969 6.1969 6.6308 6.6308 7.2143 7.2143 7.9219 7.9219 8.3445 8.3445 8.6368 8.6368 8.8729 8.8729 13.0768 13.0768 13.7501 13.7501 17.3997 17.3997 18.8991 18.8991 k = 0.6123-0.0754-0.3088 ( 1600 PWs) bands (ev): -10.5857 -10.5857 -9.3797 -9.3797 -5.0686 -5.0686 -4.9313 -4.9313 -4.6515 -4.6515 -4.5164 -4.5164 -4.4243 -4.4243 2.7606 2.7606 4.1712 4.1712 5.0544 5.0544 5.4268 5.4268 6.2101 6.2101 6.6617 6.6617 7.1795 7.1795 7.9259 7.9259 8.3268 8.3268 8.6467 8.6467 8.8767 8.8767 13.0922 13.0922 13.6554 13.6554 17.2947 17.2947 18.9713 18.9713 k = 0.6077-0.0669-0.2927 ( 1598 PWs) bands (ev): -10.6156 -10.6156 -9.3778 -9.3778 -5.0723 -5.0723 -4.9387 -4.9387 -4.6565 -4.6565 -4.5168 -4.5168 -4.4331 -4.4331 2.7707 2.7707 4.1851 4.1851 5.1199 5.1199 5.4758 5.4758 6.2224 6.2224 6.6916 6.6916 7.1468 7.1468 7.9298 7.9298 8.3102 8.3102 8.6568 8.6568 8.8802 8.8802 13.1070 13.1070 13.5604 13.5604 17.1913 17.1913 19.0470 19.0470 k = 0.6030-0.0584-0.2766 ( 1600 PWs) bands (ev): -10.6446 -10.6446 -9.3760 -9.3760 -5.0761 -5.0761 -4.9461 -4.9461 -4.6616 -4.6616 -4.5172 -4.5172 -4.4414 -4.4414 2.7794 2.7794 4.1956 4.1956 5.1868 5.1868 5.5270 5.5270 6.2336 6.2336 6.7205 6.7205 7.1164 7.1164 7.9334 7.9334 8.2946 8.2946 8.6671 8.6671 8.8834 8.8834 13.1212 13.1212 13.4651 13.4651 17.0894 17.0894 19.1259 19.1259 k = 0.5983-0.0499-0.2605 ( 1602 PWs) bands (ev): -10.6727 -10.6727 -9.3742 -9.3742 -5.0799 -5.0799 -4.9534 -4.9534 -4.6667 -4.6667 -4.5174 -4.5174 -4.4490 -4.4490 2.7867 2.7867 4.2030 4.2030 5.2548 5.2548 5.5800 5.5800 6.2438 6.2438 6.7482 6.7482 7.0884 7.0884 7.9368 7.9368 8.2802 8.2802 8.6774 8.6774 8.8865 8.8865 13.1348 13.1348 13.3701 13.3701 16.9895 16.9895 19.2075 19.2075 k = 0.5936-0.0414-0.2444 ( 1602 PWs) bands (ev): -10.6997 -10.6997 -9.3726 -9.3726 -5.0838 -5.0838 -4.9604 -4.9604 -4.6718 -4.6718 -4.5175 -4.5175 -4.4559 -4.4559 2.7929 2.7929 4.2076 4.2076 5.3237 5.3237 5.6342 5.6342 6.2530 6.2530 6.7747 6.7747 7.0629 7.0629 7.9399 7.9399 8.2669 8.2669 8.6879 8.6879 8.8893 8.8893 13.1477 13.1477 13.2755 13.2755 16.8917 16.8917 19.2916 19.2916 k = 0.5889-0.0329-0.2283 ( 1602 PWs) bands (ev): -10.7258 -10.7258 -9.3710 -9.3710 -5.0878 -5.0878 -4.9672 -4.9672 -4.6769 -4.6769 -4.5176 -4.5176 -4.4621 -4.4621 2.7979 2.7979 4.2099 4.2099 5.3930 5.3930 5.6889 5.6889 6.2611 6.2611 6.7999 6.7999 7.0401 7.0401 7.9427 7.9427 8.2547 8.2547 8.6985 8.6985 8.8920 8.8920 13.1599 13.1599 13.1817 13.1817 16.7963 16.7963 19.3776 19.3776 k = 0.5843-0.0244-0.2122 ( 1608 PWs) bands (ev): -10.7507 -10.7507 -9.3695 -9.3695 -5.0919 -5.0919 -4.9737 -4.9737 -4.6821 -4.6821 -4.5176 -4.5176 -4.4678 -4.4678 2.8020 2.8020 4.2100 4.2100 5.4624 5.4624 5.7437 5.7437 6.2682 6.2682 6.8238 6.8238 7.0200 7.0200 7.9450 7.9450 8.2435 8.2435 8.7089 8.7089 8.8945 8.8945 13.0890 13.0890 13.1715 13.1715 16.7035 16.7035 19.4651 19.4651 k = 0.5796-0.0159-0.1961 ( 1610 PWs) bands (ev): -10.7745 -10.7745 -9.3681 -9.3681 -5.0960 -5.0960 -4.9800 -4.9800 -4.6871 -4.6871 -4.5176 -4.5176 -4.4728 -4.4728 2.8052 2.8052 4.2085 4.2085 5.5316 5.5316 5.7980 5.7980 6.2743 6.2743 6.8462 6.8462 7.0029 7.0029 7.9470 7.9470 8.2334 8.2334 8.7192 8.7192 8.8969 8.8969 12.9977 12.9977 13.1824 13.1824 16.6135 16.6135 19.5537 19.5537 k = 0.5749-0.0074-0.1800 ( 1606 PWs) bands (ev): -10.7972 -10.7972 -9.3668 -9.3668 -5.1001 -5.1001 -4.9858 -4.9858 -4.6920 -4.6920 -4.5175 -4.5175 -4.4773 -4.4773 2.8076 2.8076 4.2055 4.2055 5.6002 5.6002 5.8511 5.8511 6.2794 6.2794 6.8672 6.8672 6.9887 6.9887 7.9487 7.9487 8.2244 8.2244 8.7295 8.7295 8.8992 8.8992 12.9083 12.9083 13.1926 13.1926 16.5267 16.5267 19.6427 19.6427 k = 0.5702 0.0011-0.1639 ( 1610 PWs) bands (ev): -10.8187 -10.8187 -9.3656 -9.3656 -5.1042 -5.1042 -4.9914 -4.9914 -4.6968 -4.6968 -4.5174 -4.5174 -4.4814 -4.4814 2.8094 2.8094 4.2014 4.2014 5.6676 5.6676 5.9026 5.9026 6.2836 6.2836 6.8866 6.8866 6.9775 6.9775 7.9499 7.9499 8.2163 8.2163 8.7394 8.7394 8.9015 8.9015 12.8211 12.8211 13.2020 13.2020 16.4433 16.4433 19.7316 19.7316 k = 0.5655 0.0096-0.1478 ( 1610 PWs) bands (ev): -10.8389 -10.8389 -9.3644 -9.3644 -5.1083 -5.1083 -4.9965 -4.9965 -4.7014 -4.7014 -4.5173 -4.5173 -4.4849 -4.4849 2.8107 2.8107 4.1965 4.1965 5.7337 5.7337 5.9519 5.9519 6.2870 6.2870 6.9045 6.9045 6.9692 6.9692 7.9508 7.9508 8.2092 8.2092 8.7491 8.7491 8.9037 8.9037 12.7365 12.7365 13.2107 13.2107 16.3636 16.3636 19.8197 19.8197 k = 0.5609 0.0181-0.1317 ( 1608 PWs) bands (ev): -10.8578 -10.8578 -9.3634 -9.3634 -5.1123 -5.1123 -5.0013 -5.0013 -4.7058 -4.7058 -4.5172 -4.5172 -4.4880 -4.4880 2.8115 2.8115 4.1910 4.1910 5.7979 5.7979 5.9986 5.9986 6.2896 6.2896 6.9208 6.9208 6.9639 6.9639 7.9513 7.9513 8.2030 8.2030 8.7585 8.7585 8.9060 8.9060 12.6549 12.6549 13.2188 13.2188 16.2878 16.2878 19.9064 19.9064 k = 0.5562 0.0266-0.1156 ( 1606 PWs) bands (ev): -10.8755 -10.8755 -9.3624 -9.3624 -5.1162 -5.1162 -5.0057 -5.0057 -4.7100 -4.7100 -4.5172 -4.5172 -4.4906 -4.4906 2.8119 2.8119 4.1850 4.1850 5.8597 5.8597 6.0423 6.0423 6.2915 6.2915 6.9352 6.9352 6.9616 6.9616 7.9516 7.9516 8.1977 8.1977 8.7673 8.7673 8.9083 8.9083 12.5767 12.5767 13.2261 13.2261 16.2162 16.2162 19.9908 19.9908 k = 0.5515 0.0351-0.0995 ( 1606 PWs) bands (ev): -10.8919 -10.8919 -9.3615 -9.3615 -5.1199 -5.1199 -5.0097 -5.0097 -4.7140 -4.7140 -4.5171 -4.5171 -4.4929 -4.4929 2.8121 2.8121 4.1789 4.1789 5.9187 5.9187 6.0826 6.0826 6.2929 6.2929 6.9475 6.9475 6.9625 6.9625 7.9514 7.9514 8.1931 8.1931 8.7757 8.7757 8.9106 8.9106 12.5024 12.5024 13.2328 13.2328 16.1491 16.1491 20.0724 20.0724 k = 0.5468 0.0436-0.0834 ( 1606 PWs) bands (ev): -10.9069 -10.9069 -9.3607 -9.3607 -5.1235 -5.1235 -5.0133 -5.0133 -4.7177 -4.7177 -4.5172 -4.5172 -4.4947 -4.4947 2.8120 2.8120 4.1727 4.1727 5.9744 5.9744 6.1194 6.1194 6.2940 6.2940 6.9566 6.9566 6.9672 6.9672 7.9511 7.9511 8.1893 8.1893 8.7834 8.7834 8.9131 8.9131 12.4324 12.4324 13.2388 13.2388 16.0868 16.0868 20.1502 20.1502 k = 0.5421 0.0521-0.0673 ( 1608 PWs) bands (ev): -10.9205 -10.9205 -9.3600 -9.3600 -5.1269 -5.1269 -5.0166 -5.0166 -4.7211 -4.7211 -4.5172 -4.5172 -4.4963 -4.4963 2.8117 2.8117 4.1667 4.1667 6.0261 6.0261 6.1525 6.1525 6.2949 6.2949 6.9630 6.9630 6.9750 6.9750 7.9505 7.9505 8.1860 8.1860 8.7904 8.7904 8.9157 8.9157 12.3672 12.3672 13.2441 13.2441 16.0295 16.0295 20.2234 20.2234 k = 0.5374 0.0606-0.0512 ( 1608 PWs) bands (ev): -10.9328 -10.9328 -9.3593 -9.3593 -5.1301 -5.1301 -5.0195 -5.0195 -4.7242 -4.7242 -4.5173 -4.5173 -4.4976 -4.4976 2.8114 2.8114 4.1610 4.1610 6.0733 6.0733 6.1820 6.1820 6.2958 6.2958 6.9692 6.9692 6.9831 6.9831 7.9498 7.9498 8.1834 8.1834 8.7967 8.7967 8.9184 8.9184 12.3073 12.3073 13.2488 13.2488 15.9775 15.9775 20.2913 20.2913 k = 0.5328 0.0691-0.0352 ( 1604 PWs) bands (ev): -10.9437 -10.9437 -9.3588 -9.3588 -5.1329 -5.1329 -5.0220 -5.0220 -4.7269 -4.7269 -4.5174 -4.5174 -4.4986 -4.4986 2.8109 2.8109 4.1557 4.1557 6.1152 6.1152 6.2081 6.2081 6.2969 6.2969 6.9759 6.9759 6.9903 6.9903 7.9491 7.9491 8.1813 8.1813 8.8021 8.8021 8.9212 8.9212 12.2531 12.2531 13.2528 13.2528 15.9310 15.9310 20.3531 20.3531 k = 0.5281 0.0776-0.0191 ( 1606 PWs) bands (ev): -10.9531 -10.9531 -9.3583 -9.3583 -5.1354 -5.1354 -5.0242 -5.0242 -4.7293 -4.7293 -4.5176 -4.5176 -4.4994 -4.4994 2.8104 2.8104 4.1508 4.1508 6.1510 6.1510 6.2311 6.2311 6.2985 6.2985 6.9829 6.9829 6.9965 6.9965 7.9483 7.9483 8.1796 8.1796 8.8068 8.8068 8.9239 8.9239 12.2051 12.2051 13.2563 13.2563 15.8902 15.8902 20.4081 20.4081 k = 0.5234 0.0861-0.0030 ( 1602 PWs) bands (ev): -10.9611 -10.9611 -9.3579 -9.3579 -5.1375 -5.1375 -5.0260 -5.0260 -4.7314 -4.7314 -4.5177 -4.5177 -4.5000 -4.5000 2.8100 2.8100 4.1466 4.1466 6.1798 6.1798 6.2516 6.2516 6.3006 6.3006 6.9896 6.9896 7.0016 7.0016 7.9476 7.9476 8.1783 8.1783 8.8106 8.8106 8.9265 8.9265 12.1636 12.1636 13.2592 13.2592 15.8553 15.8553 20.4557 20.4557 k = 0.5187 0.0946 0.0131 ( 1606 PWs) bands (ev): -10.9677 -10.9677 -9.3575 -9.3575 -5.1394 -5.1394 -5.0275 -5.0275 -4.7331 -4.7331 -4.5179 -4.5179 -4.5004 -4.5004 2.8096 2.8096 4.1430 4.1430 6.2011 6.2011 6.2698 6.2698 6.3032 6.3032 6.9957 6.9957 7.0058 7.0058 7.9468 7.9468 8.1772 8.1772 8.8137 8.8137 8.9289 8.9289 12.1291 12.1291 13.2616 13.2616 15.8265 15.8265 20.4952 20.4952 k = 0.5140 0.1031 0.0292 ( 1602 PWs) bands (ev): -10.9728 -10.9728 -9.3573 -9.3573 -5.1409 -5.1409 -5.0287 -5.0287 -4.7345 -4.7345 -4.5180 -4.5180 -4.5006 -4.5006 2.8092 2.8092 4.1402 4.1402 6.2157 6.2157 6.2854 6.2854 6.3061 6.3061 7.0006 7.0006 7.0093 7.0093 7.9463 7.9463 8.1765 8.1765 8.8161 8.8161 8.9309 8.9309 12.1019 12.1019 13.2634 13.2634 15.8039 15.8039 20.5264 20.5264 k = 0.5094 0.1116 0.0453 ( 1606 PWs) bands (ev): -10.9765 -10.9765 -9.3571 -9.3571 -5.1420 -5.1420 -5.0295 -5.0295 -4.7355 -4.7355 -4.5181 -4.5181 -4.5009 -4.5009 2.8090 2.8090 4.1381 4.1381 6.2247 6.2247 6.2974 6.2974 6.3089 6.3089 7.0040 7.0040 7.0121 7.0121 7.9458 7.9458 8.1759 8.1759 8.8177 8.8177 8.9324 8.9324 12.0822 12.0822 13.2646 13.2646 15.7877 15.7877 20.5489 20.5489 k = 0.5047 0.1201 0.0614 ( 1608 PWs) bands (ev): -10.9787 -10.9787 -9.3570 -9.3570 -5.1427 -5.1427 -5.0300 -5.0300 -4.7361 -4.7361 -4.5182 -4.5182 -4.5010 -4.5010 2.8088 2.8088 4.1369 4.1369 6.2294 6.2294 6.3046 6.3046 6.3111 6.3111 7.0059 7.0059 7.0140 7.0140 7.9455 7.9455 8.1756 8.1756 8.8186 8.8186 8.9334 8.9334 12.0704 12.0704 13.2654 13.2654 15.7780 15.7780 20.5625 20.5625 k = 0.5000 0.1286 0.0775 ( 1596 PWs) bands (ev): -10.9794 -10.9794 -9.3569 -9.3569 -5.1427 -5.1427 -5.0301 -5.0301 -4.7361 -4.7361 -4.5181 -4.5181 -4.5010 -4.5010 2.8088 2.8088 4.1365 4.1365 6.2310 6.2310 6.3069 6.3069 6.3122 6.3122 7.0065 7.0065 7.0146 7.0146 7.9456 7.9456 8.1757 8.1757 8.8190 8.8190 8.9337 8.9337 12.0664 12.0664 13.2657 13.2657 15.7747 15.7747 20.5670 20.5670 k = 0.5000 0.1286 0.0775 ( 1596 PWs) bands (ev): -10.9794 -10.9794 -9.3569 -9.3569 -5.1427 -5.1427 -5.0301 -5.0301 -4.7361 -4.7361 -4.5181 -4.5181 -4.5010 -4.5010 2.8088 2.8088 4.1365 4.1365 6.2310 6.2310 6.3069 6.3069 6.3122 6.3122 7.0065 7.0065 7.0146 7.0146 7.9456 7.9456 8.1757 8.1757 8.8190 8.8190 8.9337 8.9337 12.0664 12.0664 13.2657 13.2657 15.7747 15.7747 20.5670 20.5670 k = 0.4821 0.1240 0.0747 ( 1602 PWs) bands (ev): -10.9798 -10.9798 -9.3563 -9.3563 -5.1428 -5.1428 -5.0302 -5.0302 -4.7362 -4.7362 -4.5181 -4.5181 -4.5010 -4.5010 2.8016 2.8016 4.1451 4.1451 6.2313 6.2313 6.3073 6.3073 6.3123 6.3123 7.0059 7.0059 7.0141 7.0141 7.9455 7.9455 8.1756 8.1756 8.8191 8.8191 8.9339 8.9339 12.0580 12.0580 13.2739 13.2739 15.7730 15.7730 20.5695 20.5695 k = 0.4643 0.1194 0.0720 ( 1602 PWs) bands (ev): -10.9808 -10.9808 -9.3545 -9.3545 -5.1428 -5.1428 -5.0303 -5.0303 -4.7363 -4.7363 -4.5182 -4.5182 -4.5010 -4.5010 2.7807 2.7807 4.1703 4.1703 6.2322 6.2322 6.3086 6.3086 6.3127 6.3127 7.0040 7.0040 7.0124 7.0124 7.9455 7.9455 8.1757 8.1757 8.8197 8.8197 8.9343 8.9343 12.0335 12.0335 13.2980 13.2980 15.7677 15.7677 20.5767 20.5767 k = 0.4464 0.1148 0.0692 ( 1608 PWs) bands (ev): -10.9826 -10.9826 -9.3516 -9.3516 -5.1429 -5.1429 -5.0304 -5.0304 -4.7365 -4.7365 -4.5184 -4.5184 -4.5010 -4.5010 2.7476 2.7476 4.2104 4.2104 6.2337 6.2337 6.3106 6.3106 6.3135 6.3135 7.0009 7.0009 7.0096 7.0096 7.9454 7.9454 8.1756 8.1756 8.8205 8.8205 8.9349 8.9349 11.9948 11.9948 13.3360 13.3360 15.7589 15.7589 20.5888 20.5888 k = 0.4286 0.1102 0.0664 ( 1605 PWs) bands (ev): -10.9850 -10.9850 -9.3475 -9.3475 -5.1429 -5.1429 -5.0305 -5.0305 -4.7365 -4.7365 -4.5185 -4.5185 -4.5010 -4.5010 2.7045 2.7045 4.2634 4.2634 6.2359 6.2359 6.3135 6.3135 6.3147 6.3147 6.9966 6.9966 7.0057 7.0057 7.9455 7.9455 8.1756 8.1756 8.8217 8.8217 8.9358 8.9358 11.9444 11.9444 13.3853 13.3853 15.7469 15.7469 20.6055 20.6055 k = 0.4107 0.1056 0.0637 ( 1611 PWs) bands (ev): -10.9880 -10.9880 -9.3423 -9.3423 -5.1429 -5.1429 -5.0308 -5.0308 -4.7367 -4.7367 -4.5187 -4.5187 -4.5011 -4.5011 2.6538 2.6538 4.3267 4.3267 6.2385 6.2385 6.3162 6.3162 6.3173 6.3173 6.9910 6.9910 7.0008 7.0008 7.9455 7.9455 8.1756 8.1756 8.8230 8.8230 8.9369 8.9369 11.8849 11.8849 13.4434 13.4434 15.7317 15.7317 20.6267 20.6267 k = 0.3929 0.1010 0.0609 ( 1608 PWs) bands (ev): -10.9916 -10.9916 -9.3362 -9.3362 -5.1429 -5.1429 -5.0311 -5.0311 -4.7369 -4.7369 -4.5189 -4.5189 -4.5011 -4.5011 2.5975 2.5975 4.3982 4.3982 6.2415 6.2415 6.3182 6.3182 6.3218 6.3218 6.9844 6.9844 6.9948 6.9948 7.9456 7.9456 8.1756 8.1756 8.8248 8.8248 8.9382 8.9382 11.8186 11.8186 13.5079 13.5079 15.7136 15.7136 20.6522 20.6522 k = 0.3750 0.0964 0.0581 ( 1608 PWs) bands (ev): -10.9957 -10.9957 -9.3292 -9.3292 -5.1429 -5.1429 -5.0314 -5.0314 -4.7371 -4.7371 -4.5191 -4.5191 -4.5011 -4.5011 2.5376 2.5376 4.4760 4.4760 6.2448 6.2448 6.3206 6.3206 6.3271 6.3271 6.9766 6.9766 6.9878 6.9878 7.9457 7.9457 8.1757 8.1757 8.8268 8.8268 8.9398 8.9398 11.7474 11.7474 13.5770 13.5770 15.6929 15.6929 20.6817 20.6817 k = 0.3571 0.0918 0.0554 ( 1608 PWs) bands (ev): -11.0003 -11.0003 -9.3213 -9.3213 -5.1430 -5.1430 -5.0318 -5.0318 -4.7374 -4.7374 -4.5194 -4.5194 -4.5011 -4.5011 2.4754 2.4754 4.5585 4.5585 6.2483 6.2483 6.3235 6.3235 6.3332 6.3332 6.9678 6.9678 6.9799 6.9799 7.9458 7.9458 8.1757 8.1757 8.8290 8.8290 8.9415 8.9415 11.6729 11.6729 13.6490 13.6490 15.6698 15.6698 20.7149 20.7149 k = 0.3393 0.0873 0.0526 ( 1611 PWs) bands (ev): -11.0053 -11.0053 -9.3127 -9.3127 -5.1430 -5.1430 -5.0322 -5.0322 -4.7377 -4.7377 -4.5198 -4.5198 -4.5012 -4.5012 2.4121 2.4121 4.6444 4.6444 6.2518 6.2518 6.3271 6.3271 6.3400 6.3400 6.9580 6.9580 6.9711 6.9711 7.9458 7.9458 8.1758 8.1758 8.8313 8.8313 8.9434 8.9434 11.5962 11.5962 13.7228 13.7228 15.6446 15.6446 20.7515 20.7515 k = 0.3214 0.0827 0.0498 ( 1614 PWs) bands (ev): -11.0106 -11.0106 -9.3036 -9.3036 -5.1430 -5.1430 -5.0327 -5.0327 -4.7380 -4.7380 -4.5201 -4.5201 -4.5013 -4.5013 2.3489 2.3489 4.7326 4.7326 6.2550 6.2550 6.3314 6.3314 6.3474 6.3474 6.9472 6.9472 6.9615 6.9615 7.9460 7.9460 8.1758 8.1758 8.8339 8.8339 8.9454 8.9454 11.5185 11.5185 13.7971 13.7971 15.6177 15.6177 20.7911 20.7911 k = 0.3036 0.0781 0.0471 ( 1614 PWs) bands (ev): -11.0161 -11.0161 -9.2940 -9.2940 -5.1430 -5.1430 -5.0332 -5.0332 -4.7383 -4.7383 -4.5205 -4.5205 -4.5013 -4.5013 2.2863 2.2863 4.8221 4.8221 6.2579 6.2579 6.3365 6.3365 6.3556 6.3556 6.9356 6.9356 6.9510 6.9510 7.9461 7.9461 8.1759 8.1759 8.8366 8.8366 8.9475 8.9475 11.4405 11.4405 13.8714 13.8714 15.5894 15.5894 20.8333 20.8333 k = 0.2857 0.0735 0.0443 ( 1614 PWs) bands (ev): -11.0218 -11.0218 -9.2841 -9.2841 -5.1431 -5.1431 -5.0338 -5.0338 -4.7386 -4.7386 -4.5208 -4.5208 -4.5013 -4.5013 2.2252 2.2252 4.9121 4.9121 6.2601 6.2601 6.3425 6.3425 6.3644 6.3644 6.9232 6.9232 6.9399 6.9399 7.9462 7.9462 8.1759 8.1759 8.8393 8.8393 8.9497 8.9497 11.3629 11.3629 13.9449 13.9449 15.5601 15.5601 20.8777 20.8777 k = 0.2679 0.0689 0.0415 ( 1617 PWs) bands (ev): -11.0275 -11.0275 -9.2739 -9.2739 -5.1431 -5.1431 -5.0343 -5.0343 -4.7390 -4.7390 -4.5212 -4.5212 -4.5013 -4.5013 2.1659 2.1659 5.0020 5.0020 6.2615 6.2615 6.3495 6.3495 6.3737 6.3737 6.9100 6.9100 6.9282 6.9282 7.9463 7.9463 8.1760 8.1760 8.8421 8.8421 8.9520 8.9520 11.2863 11.2863 14.0169 14.0169 15.5301 15.5301 20.9237 20.9237 k = 0.2500 0.0643 0.0388 ( 1614 PWs) bands (ev): -11.0333 -11.0333 -9.2637 -9.2637 -5.1431 -5.1431 -5.0349 -5.0349 -4.7393 -4.7393 -4.5215 -4.5215 -4.5013 -4.5013 2.1089 2.1089 5.0911 5.0911 6.2620 6.2620 6.3574 6.3574 6.3836 6.3836 6.8963 6.8963 6.9159 6.9159 7.9464 7.9464 8.1761 8.1761 8.8450 8.8450 8.9543 8.9543 11.2115 11.2115 14.0870 14.0870 15.4998 15.4998 20.9707 20.9707 k = 0.2321 0.0597 0.0360 ( 1614 PWs) bands (ev): -11.0391 -11.0391 -9.2535 -9.2535 -5.1431 -5.1431 -5.0354 -5.0354 -4.7397 -4.7397 -4.5219 -4.5219 -4.5013 -4.5013 2.0546 2.0546 5.1789 5.1789 6.2614 6.2614 6.3663 6.3663 6.3939 6.3939 6.8821 6.8821 6.9032 6.9032 7.9465 7.9465 8.1761 8.1761 8.8478 8.8478 8.9566 8.9566 11.1387 11.1387 14.1546 14.1546 15.4695 15.4695 21.0182 21.0182 k = 0.2143 0.0551 0.0332 ( 1614 PWs) bands (ev): -11.0447 -11.0447 -9.2435 -9.2435 -5.1431 -5.1431 -5.0360 -5.0360 -4.7400 -4.7400 -4.5223 -4.5223 -4.5013 -4.5013 2.0033 2.0033 5.2646 5.2646 6.2597 6.2597 6.3759 6.3759 6.4046 6.4046 6.8674 6.8674 6.8901 6.8901 7.9466 7.9466 8.1761 8.1761 8.8506 8.8506 8.9589 8.9589 11.0687 11.0687 14.2194 14.2194 15.4395 15.4395 21.0652 21.0652 k = 0.1964 0.0505 0.0305 ( 1607 PWs) bands (ev): -11.0501 -11.0501 -9.2338 -9.2338 -5.1430 -5.1430 -5.0364 -5.0364 -4.7403 -4.7403 -4.5226 -4.5226 -4.5013 -4.5013 1.9553 1.9553 5.3480 5.3480 6.2567 6.2567 6.3863 6.3863 6.4156 6.4156 6.8525 6.8525 6.8768 6.8768 7.9468 7.9468 8.1763 8.1763 8.8532 8.8532 8.9610 8.9610 11.0019 11.0019 14.2810 14.2810 15.4102 15.4102 21.1109 21.1109 k = 0.1786 0.0459 0.0277 ( 1607 PWs) bands (ev): -11.0552 -11.0552 -9.2244 -9.2244 -5.1431 -5.1431 -5.0370 -5.0370 -4.7406 -4.7406 -4.5229 -4.5229 -4.5013 -4.5013 1.9108 1.9108 5.4283 5.4283 6.2523 6.2523 6.3972 6.3972 6.4268 6.4268 6.8375 6.8375 6.8635 6.8635 7.9469 7.9469 8.1763 8.1763 8.8557 8.8557 8.9631 8.9631 10.9387 10.9387 14.3390 14.3390 15.3818 15.3818 21.1538 21.1538 k = 0.1607 0.0413 0.0249 ( 1607 PWs) bands (ev): -11.0600 -11.0600 -9.2157 -9.2157 -5.1431 -5.1431 -5.0375 -5.0375 -4.7409 -4.7409 -4.5232 -4.5232 -4.5013 -4.5013 1.8699 1.8699 5.5052 5.5052 6.2464 6.2464 6.4085 6.4085 6.4381 6.4381 6.8224 6.8224 6.8502 6.8502 7.9469 7.9469 8.1763 8.1763 8.8580 8.8580 8.9651 8.9651 10.8796 10.8796 14.3930 14.3930 15.3547 15.3547 21.1923 21.1923 k = 0.1429 0.0367 0.0221 ( 1613 PWs) bands (ev): -11.0645 -11.0645 -9.2075 -9.2075 -5.1431 -5.1431 -5.0380 -5.0380 -4.7412 -4.7412 -4.5236 -4.5236 -4.5014 -4.5014 1.8329 1.8329 5.5781 5.5781 6.2388 6.2388 6.4200 6.4200 6.4492 6.4492 6.8076 6.8076 6.8371 6.8371 7.9470 7.9470 8.1764 8.1764 8.8602 8.8602 8.9669 8.9669 10.8250 10.8250 14.4426 14.4426 15.3292 15.3292 21.2243 21.2243 k = 0.1250 0.0321 0.0194 ( 1613 PWs) bands (ev): -11.0686 -11.0686 -9.2001 -9.2001 -5.1431 -5.1431 -5.0385 -5.0385 -4.7415 -4.7415 -4.5239 -4.5239 -4.5014 -4.5014 1.8000 1.8000 5.6467 5.6467 6.2297 6.2297 6.4314 6.4314 6.4601 6.4601 6.7931 6.7931 6.8245 6.8245 7.9471 7.9471 8.1764 8.1764 8.8621 8.8621 8.9686 8.9686 10.7756 10.7756 14.4878 14.4878 15.3055 15.3055 21.2484 21.2484 k = 0.1071 0.0276 0.0166 ( 1613 PWs) bands (ev): -11.0722 -11.0722 -9.1934 -9.1934 -5.1431 -5.1431 -5.0389 -5.0389 -4.7418 -4.7418 -4.5241 -4.5241 -4.5014 -4.5014 1.7712 1.7712 5.7103 5.7103 6.2188 6.2188 6.4426 6.4426 6.4705 6.4705 6.7794 6.7794 6.8126 6.8126 7.9471 7.9471 8.1764 8.1764 8.8638 8.8638 8.9700 8.9700 10.7318 10.7318 14.5280 14.5280 15.2839 15.2839 21.2646 21.2646 k = 0.0893 0.0230 0.0138 ( 1610 PWs) bands (ev): -11.0753 -11.0753 -9.1877 -9.1877 -5.1432 -5.1432 -5.0391 -5.0391 -4.7420 -4.7420 -4.5243 -4.5243 -4.5013 -4.5013 1.7466 1.7466 5.7684 5.7684 6.2065 6.2065 6.4532 6.4532 6.4801 6.4801 6.7666 6.7666 6.8016 6.8016 7.9471 7.9471 8.1764 8.1764 8.8654 8.8654 8.9714 8.9714 10.6938 10.6938 14.5629 14.5629 15.2649 15.2649 21.2748 21.2748 k = 0.0714 0.0184 0.0111 ( 1613 PWs) bands (ev): -11.0779 -11.0779 -9.1829 -9.1829 -5.1432 -5.1432 -5.0394 -5.0394 -4.7422 -4.7422 -4.5245 -4.5245 -4.5014 -4.5014 1.7264 1.7264 5.8202 5.8202 6.1927 6.1927 6.4627 6.4627 6.4887 6.4887 6.7552 6.7552 6.7919 6.7919 7.9471 7.9471 8.1764 8.1764 8.8665 8.8665 8.9724 8.9724 10.6622 10.6622 14.5922 14.5922 15.2487 15.2487 21.2808 21.2808 k = 0.0536 0.0138 0.0083 ( 1613 PWs) bands (ev): -11.0799 -11.0799 -9.1791 -9.1791 -5.1433 -5.1433 -5.0397 -5.0397 -4.7423 -4.7423 -4.5246 -4.5246 -4.5014 -4.5014 1.7106 1.7106 5.8646 5.8646 6.1783 6.1783 6.4709 6.4709 6.4959 6.4959 6.7456 6.7456 6.7838 6.7838 7.9472 7.9472 8.1764 8.1764 8.8674 8.8674 8.9732 8.9732 10.6373 10.6373 14.6155 14.6155 15.2355 15.2355 21.2844 21.2844 k = 0.0357 0.0092 0.0055 ( 1607 PWs) bands (ev): -11.0814 -11.0814 -9.1764 -9.1764 -5.1432 -5.1432 -5.0398 -5.0398 -4.7424 -4.7424 -4.5246 -4.5246 -4.5013 -4.5013 1.6993 1.6993 5.9000 5.9000 6.1648 6.1648 6.4773 6.4773 6.5014 6.5014 6.7383 6.7383 6.7777 6.7777 7.9472 7.9472 8.1764 8.1764 8.8682 8.8682 8.9739 8.9739 10.6192 10.6192 14.6324 14.6324 15.2259 15.2259 21.2865 21.2865 k = 0.0179 0.0046 0.0028 ( 1595 PWs) bands (ev): -11.0823 -11.0823 -9.1747 -9.1747 -5.1431 -5.1431 -5.0398 -5.0398 -4.7423 -4.7423 -4.5246 -4.5246 -4.5012 -4.5012 1.6925 1.6925 5.9234 5.9234 6.1545 6.1545 6.4814 6.4814 6.5049 6.5049 6.7337 6.7337 6.7739 6.7739 7.9473 7.9473 8.1765 8.1765 8.8687 8.8687 8.9743 8.9743 10.6083 10.6083 14.6427 14.6427 15.2200 15.2200 21.2876 21.2876 k = 0.0000 0.0000 0.0000 ( 1601 PWs) bands (ev): -11.0826 -11.0826 -9.1742 -9.1742 -5.1431 -5.1431 -5.0398 -5.0398 -4.7424 -4.7424 -4.5247 -4.5247 -4.5013 -4.5013 1.6902 1.6902 5.9318 5.9318 6.1505 6.1505 6.4827 6.4827 6.5060 6.5060 6.7321 6.7321 6.7726 6.7726 7.9473 7.9473 8.1765 8.1765 8.8688 8.8688 8.9744 8.9744 10.6047 10.6047 14.6462 14.6462 15.2179 15.2179 21.2879 21.2879 k = 0.0000 0.0000 0.0000 ( 1601 PWs) bands (ev): -11.0826 -11.0826 -9.1742 -9.1742 -5.1431 -5.1431 -5.0398 -5.0398 -4.7424 -4.7424 -4.5247 -4.5247 -4.5013 -4.5013 1.6902 1.6902 5.9318 5.9318 6.1505 6.1505 6.4827 6.4827 6.5060 6.5060 6.7321 6.7321 6.7726 6.7726 7.9473 7.9473 8.1765 8.1765 8.8688 8.8688 8.9744 8.9744 10.6047 10.6047 14.6462 14.6462 15.2179 15.2179 21.2879 21.2879 k = 0.0047-0.0086-0.0163 ( 1605 PWs) bands (ev): -11.0818 -11.0818 -9.1742 -9.1742 -5.1429 -5.1429 -5.0397 -5.0397 -4.7422 -4.7422 -4.5247 -4.5247 -4.5013 -4.5013 1.6906 1.6906 5.9310 5.9310 6.1482 6.1482 6.4798 6.4798 6.5026 6.5026 6.7342 6.7342 6.7739 6.7739 7.9473 7.9473 8.1765 8.1765 8.8683 8.8683 8.9739 8.9739 10.6076 10.6076 14.6496 14.6496 15.2180 15.2180 21.2867 21.2867 k = 0.0095-0.0172-0.0326 ( 1605 PWs) bands (ev): -11.0796 -11.0796 -9.1745 -9.1745 -5.1423 -5.1423 -5.0391 -5.0391 -4.7416 -4.7416 -4.5246 -4.5246 -4.5011 -4.5011 1.6917 1.6917 5.9286 5.9286 6.1411 6.1411 6.4711 6.4711 6.4934 6.4934 6.7398 6.7398 6.7776 6.7776 7.9475 7.9475 8.1768 8.1768 8.8669 8.8669 8.9725 8.9725 10.6164 10.6164 14.6598 14.6598 15.2181 15.2181 21.2827 21.2827 k = 0.0142-0.0258-0.0488 ( 1601 PWs) bands (ev): -11.0759 -11.0759 -9.1749 -9.1749 -5.1410 -5.1410 -5.0382 -5.0382 -4.7404 -4.7404 -4.5244 -4.5244 -4.5008 -4.5008 1.6936 1.6936 5.9244 5.9244 6.1290 6.1290 6.4568 6.4568 6.4802 6.4802 6.7480 6.7480 6.7832 6.7832 7.9480 7.9480 8.1773 8.1773 8.8645 8.8645 8.9703 8.9703 10.6309 10.6309 14.6767 14.6767 15.2183 15.2183 21.2747 21.2747 k = 0.0189-0.0344-0.0651 ( 1609 PWs) bands (ev): -11.0707 -11.0707 -9.1755 -9.1755 -5.1395 -5.1395 -5.0369 -5.0369 -4.7389 -4.7389 -4.5244 -4.5244 -4.5005 -4.5005 1.6962 1.6962 5.9180 5.9180 6.1111 6.1111 6.4376 6.4376 6.4653 6.4653 6.7574 6.7574 6.7904 6.7904 7.9484 7.9484 8.1779 8.1779 8.8611 8.8611 8.9672 8.9672 10.6510 10.6510 14.7002 14.7002 15.2185 15.2185 21.2612 21.2612 k = 0.0237-0.0430-0.0814 ( 1607 PWs) bands (ev): -11.0640 -11.0640 -9.1763 -9.1763 -5.1375 -5.1375 -5.0352 -5.0352 -4.7369 -4.7369 -4.5242 -4.5242 -4.4999 -4.4999 1.6996 1.6996 5.9090 5.9090 6.0871 6.0871 6.4150 6.4150 6.4502 6.4502 6.7671 6.7671 6.7986 6.7986 7.9490 7.9490 8.1789 8.1789 8.8568 8.8568 8.9634 8.9634 10.6764 10.6764 14.7301 14.7301 15.2188 15.2188 21.2401 21.2401 k = 0.0284-0.0516-0.0977 ( 1601 PWs) bands (ev): -11.0559 -11.0559 -9.1773 -9.1773 -5.1349 -5.1349 -5.0331 -5.0331 -4.7344 -4.7344 -4.5239 -4.5239 -4.4992 -4.4992 1.7036 1.7036 5.8967 5.8967 6.0565 6.0565 6.3905 6.3905 6.4358 6.4358 6.7762 6.7762 6.8077 6.8077 7.9497 7.9497 8.1802 8.1802 8.8514 8.8514 8.9591 8.9591 10.7069 10.7069 14.7663 14.7663 15.2190 15.2190 21.2099 21.2099 k = 0.0331-0.0602-0.1139 ( 1607 PWs) bands (ev): -11.0463 -11.0463 -9.1784 -9.1784 -5.1322 -5.1322 -5.0306 -5.0306 -4.7316 -4.7316 -4.5238 -4.5238 -4.4983 -4.4983 1.7083 1.7083 5.8804 5.8804 6.0190 6.0190 6.3657 6.3657 6.4226 6.4226 6.7840 6.7840 6.8176 6.8176 7.9502 7.9502 8.1817 8.1817 8.8449 8.8449 8.9541 8.9541 10.7420 10.7420 14.8085 14.8085 15.2191 15.2191 21.1700 21.1700 k = 0.0379-0.0688-0.1302 ( 1607 PWs) bands (ev): -11.0353 -11.0353 -9.1797 -9.1797 -5.1291 -5.1291 -5.0278 -5.0278 -4.7284 -4.7284 -4.5236 -4.5236 -4.4971 -4.4971 1.7137 1.7137 5.8591 5.8591 5.9748 5.9748 6.3420 6.3420 6.4108 6.4108 6.7902 6.7902 6.8284 6.8284 7.9508 7.9508 8.1838 8.1838 8.8375 8.8375 8.9487 8.9487 10.7816 10.7816 14.8564 14.8564 15.2191 15.2191 21.1212 21.1212 k = 0.0426-0.0774-0.1465 ( 1603 PWs) bands (ev): -11.0229 -11.0229 -9.1811 -9.1811 -5.1256 -5.1256 -5.0244 -5.0244 -4.7248 -4.7248 -4.5233 -4.5233 -4.4956 -4.4956 1.7197 1.7197 5.8323 5.8323 5.9245 5.9245 6.3205 6.3205 6.4004 6.4004 6.7946 6.7946 6.8400 6.8400 7.9513 7.9513 8.1864 8.1864 8.8290 8.8290 8.9429 8.9429 10.8251 10.8251 14.9097 14.9097 15.2189 15.2189 21.0647 21.0647 k = 0.0473-0.0860-0.1628 ( 1605 PWs) bands (ev): -11.0091 -11.0091 -9.1828 -9.1828 -5.1220 -5.1220 -5.0207 -5.0207 -4.7208 -4.7208 -4.5232 -4.5232 -4.4938 -4.4938 1.7263 1.7263 5.7992 5.7992 5.8686 5.8686 6.3021 6.3021 6.3910 6.3910 6.7970 6.7970 6.8526 6.8526 7.9516 7.9516 8.1894 8.1894 8.8194 8.8194 8.9369 8.9369 10.8723 10.8723 14.9682 14.9682 15.2185 15.2185 21.0019 21.0019 k = 0.0521-0.0945-0.1791 ( 1603 PWs) bands (ev): -10.9939 -10.9939 -9.1846 -9.1846 -5.1181 -5.1181 -5.0164 -5.0164 -4.7165 -4.7165 -4.5230 -4.5230 -4.4917 -4.4917 1.7334 1.7334 5.7595 5.7595 5.8078 5.8078 6.2873 6.2873 6.3824 6.3824 6.7976 6.7976 6.8662 6.8662 7.9517 7.9517 8.1932 8.1932 8.8090 8.8090 8.9305 8.9305 10.9227 10.9227 15.0315 15.0315 15.2178 15.2178 20.9342 20.9342 k = 0.0568-0.1031-0.1953 ( 1605 PWs) bands (ev): -10.9773 -10.9773 -9.1865 -9.1865 -5.1142 -5.1142 -5.0118 -5.0118 -4.7120 -4.7120 -4.5229 -4.5229 -4.4891 -4.4891 1.7411 1.7411 5.7131 5.7131 5.7432 5.7432 6.2760 6.2760 6.3742 6.3742 6.7964 6.7964 6.8808 6.8808 7.9515 7.9515 8.1976 8.1976 8.7978 8.7978 8.9240 8.9240 10.9759 10.9759 15.0991 15.0991 15.2167 15.2167 20.8628 20.8628 k = 0.0615-0.1117-0.2116 ( 1603 PWs) bands (ev): -10.9594 -10.9594 -9.1886 -9.1886 -5.1101 -5.1101 -5.0066 -5.0066 -4.7072 -4.7072 -4.5228 -4.5228 -4.4860 -4.4860 1.7493 1.7493 5.6591 5.6591 5.6767 5.6767 6.2682 6.2682 6.3661 6.3661 6.7934 6.7934 6.8965 6.8965 7.9510 7.9510 8.2028 8.2028 8.7858 8.7858 8.9172 8.9172 11.0317 11.0317 15.1703 15.1703 15.2157 15.2157 20.7888 20.7888 k = 0.0663-0.1203-0.2279 ( 1605 PWs) bands (ev): -10.9402 -10.9402 -9.1908 -9.1908 -5.1060 -5.1060 -5.0011 -5.0011 -4.7021 -4.7021 -4.5228 -4.5228 -4.4825 -4.4825 1.7578 1.7578 5.5946 5.5946 5.6121 5.6121 6.2635 6.2635 6.3578 6.3578 6.7888 6.7888 6.9134 6.9134 7.9501 7.9501 8.2088 8.2088 8.7732 8.7732 8.9101 8.9101 11.0897 11.0897 15.2109 15.2109 15.2487 15.2487 20.7131 20.7131 k = 0.0710-0.1289-0.2442 ( 1608 PWs) bands (ev): -10.9197 -10.9197 -9.1932 -9.1932 -5.1019 -5.1019 -4.9951 -4.9951 -4.6969 -4.6969 -4.5228 -4.5228 -4.4784 -4.4784 1.7668 1.7668 5.5219 5.5219 5.5483 5.5483 6.2613 6.2613 6.3489 6.3489 6.7825 6.7825 6.9316 6.9316 7.9489 7.9489 8.2156 8.2156 8.7599 8.7599 8.9028 8.9028 11.1495 11.1495 15.2090 15.2090 15.3270 15.3270 20.6366 20.6366 k = 0.0757-0.1375-0.2604 ( 1608 PWs) bands (ev): -10.8980 -10.8980 -9.1958 -9.1958 -5.0978 -5.0978 -4.9887 -4.9887 -4.6916 -4.6916 -4.5227 -4.5227 -4.4736 -4.4736 1.7760 1.7760 5.4456 5.4456 5.4820 5.4820 6.2611 6.2611 6.3394 6.3394 6.7747 6.7747 6.9512 6.9512 7.9473 7.9473 8.2234 8.2234 8.7464 8.7464 8.8954 8.8954 11.2108 11.2108 15.2056 15.2056 15.4093 15.4093 20.5598 20.5598 k = 0.0805-0.1461-0.2767 ( 1610 PWs) bands (ev): -10.8751 -10.8751 -9.1985 -9.1985 -5.0938 -5.0938 -4.9818 -4.9818 -4.6861 -4.6861 -4.5226 -4.5226 -4.4682 -4.4682 1.7855 1.7855 5.3672 5.3672 5.4127 5.4127 6.2625 6.2625 6.3291 6.3291 6.7655 6.7655 6.9723 6.9723 7.9453 7.9453 8.2321 8.2321 8.7323 8.7323 8.8876 8.8876 11.2735 11.2735 15.2014 15.2014 15.4946 15.4946 20.4834 20.4834 k = 0.0852-0.1547-0.2930 ( 1610 PWs) bands (ev): -10.8510 -10.8510 -9.2013 -9.2013 -5.0898 -5.0898 -4.9747 -4.9747 -4.6806 -4.6806 -4.5225 -4.5225 -4.4621 -4.4621 1.7952 1.7952 5.2873 5.2873 5.3406 5.3406 6.2650 6.2650 6.3181 6.3181 6.7550 6.7550 6.9948 6.9948 7.9429 7.9429 8.2418 8.2418 8.7181 8.7181 8.8796 8.8796 11.3371 11.3371 15.1963 15.1963 15.5826 15.5826 20.4079 20.4079 k = 0.0899-0.1633-0.3093 ( 1610 PWs) bands (ev): -10.8258 -10.8258 -9.2042 -9.2042 -5.0858 -5.0858 -4.9672 -4.9672 -4.6751 -4.6751 -4.5223 -4.5223 -4.4554 -4.4554 1.8050 1.8050 5.2063 5.2063 5.2662 5.2662 6.2679 6.2679 6.3063 6.3063 6.7433 6.7433 7.0189 7.0189 7.9403 7.9403 8.2524 8.2524 8.7036 8.7036 8.8714 8.8714 11.4016 11.4016 15.1904 15.1904 15.6728 15.6728 20.3337 20.3337 k = 0.0947-0.1719-0.3256 ( 1610 PWs) bands (ev): -10.7995 -10.7995 -9.2073 -9.2073 -5.0820 -5.0820 -4.9595 -4.9595 -4.6696 -4.6696 -4.5221 -4.5221 -4.4478 -4.4478 1.8148 1.8148 5.1248 5.1248 5.1899 5.1899 6.2699 6.2699 6.2946 6.2946 6.7306 6.7306 7.0445 7.0445 7.9373 7.9373 8.2640 8.2640 8.6891 8.6891 8.8629 8.8629 11.4666 11.4666 15.1837 15.1837 15.7651 15.7651 20.2612 20.2612 k = 0.0994-0.1805-0.3418 ( 1608 PWs) bands (ev): -10.7721 -10.7721 -9.2105 -9.2105 -5.0782 -5.0782 -4.9515 -4.9515 -4.6641 -4.6641 -4.5218 -4.5218 -4.4394 -4.4394 1.8246 1.8246 5.0429 5.0429 5.1120 5.1120 6.2670 6.2670 6.2866 6.2866 6.7171 6.7171 7.0715 7.0715 7.9340 7.9340 8.2765 8.2765 8.6746 8.6746 8.8542 8.8542 11.5321 11.5321 15.1762 15.1762 15.8592 15.8592 20.1905 20.1905 k = 0.1041-0.1891-0.3581 ( 1610 PWs) bands (ev): -10.7438 -10.7438 -9.2138 -9.2138 -5.0746 -5.0746 -4.9434 -4.9434 -4.6588 -4.6588 -4.5214 -4.5214 -4.4303 -4.4303 1.8343 1.8343 4.9609 4.9609 5.0330 5.0330 6.2555 6.2555 6.2857 6.2857 6.7030 6.7030 7.0999 7.0999 7.9304 7.9304 8.2900 8.2900 8.6601 8.6601 8.8452 8.8452 11.5978 11.5978 15.1678 15.1678 15.9549 15.9549 20.1220 20.1220 k = 0.1089-0.1977-0.3744 ( 1610 PWs) bands (ev): -10.7145 -10.7145 -9.2172 -9.2172 -5.0711 -5.0711 -4.9352 -4.9352 -4.6536 -4.6536 -4.5209 -4.5209 -4.4203 -4.4203 1.8438 1.8438 4.8793 4.8793 4.9532 4.9532 6.2398 6.2398 6.2871 6.2871 6.6887 6.6887 7.1298 7.1298 7.9267 7.9267 8.3043 8.3043 8.6458 8.6458 8.8359 8.8359 11.6636 11.6636 15.1586 15.1586 16.0518 16.0518 20.0556 20.0556 k = 0.1136-0.2063-0.3907 ( 1608 PWs) bands (ev): -10.6843 -10.6843 -9.2208 -9.2208 -5.0675 -5.0675 -4.9269 -4.9269 -4.6485 -4.6485 -4.5202 -4.5202 -4.4096 -4.4096 1.8530 1.8530 4.7981 4.7981 4.8729 4.8729 6.2220 6.2220 6.2879 6.2879 6.6745 6.6745 7.1610 7.1610 7.9230 7.9230 8.3193 8.3193 8.6317 8.6317 8.8265 8.8265 11.7293 11.7293 15.1487 15.1487 16.1499 16.1499 19.9916 19.9916 k = 0.1183-0.2149-0.4069 ( 1606 PWs) bands (ev): -10.6533 -10.6533 -9.2244 -9.2244 -5.0641 -5.0641 -4.9187 -4.9187 -4.6435 -4.6435 -4.5193 -4.5193 -4.3981 -4.3981 1.8618 1.8618 4.7177 4.7177 4.7924 4.7924 6.2029 6.2029 6.2871 6.2871 6.6608 6.6608 7.1934 7.1934 7.9191 7.9191 8.3352 8.3352 8.6181 8.6181 8.8168 8.8168 11.7948 11.7948 15.1382 15.1382 16.2489 16.2489 19.9297 19.9297 k = 0.1231-0.2235-0.4232 ( 1608 PWs) bands (ev): -10.6215 -10.6215 -9.2281 -9.2281 -5.0608 -5.0608 -4.9106 -4.9106 -4.6387 -4.6387 -4.5184 -4.5184 -4.3858 -4.3858 1.8702 1.8702 4.6382 4.6382 4.7119 4.7119 6.1825 6.1825 6.2841 6.2841 6.6481 6.6481 7.2268 7.2268 7.9151 7.9151 8.3517 8.3517 8.6050 8.6050 8.8069 8.8069 11.8601 11.8601 15.1271 15.1271 16.3486 16.3486 19.8699 19.8699 k = 0.1278-0.2321-0.4395 ( 1606 PWs) bands (ev): -10.5890 -10.5890 -9.2319 -9.2319 -5.0575 -5.0575 -4.9025 -4.9025 -4.6340 -4.6340 -4.5173 -4.5173 -4.3728 -4.3728 1.8781 1.8781 4.5599 4.5599 4.6318 4.6318 6.1611 6.1611 6.2782 6.2782 6.6368 6.6368 7.2613 7.2613 7.9112 7.9112 8.3687 8.3687 8.5927 8.5927 8.7968 8.7968 11.9250 11.9250 15.1156 15.1156 16.4489 16.4489 19.8121 19.8121 k = 0.1326-0.2407-0.4558 ( 1606 PWs) bands (ev): -10.5558 -10.5558 -9.2358 -9.2358 -5.0543 -5.0543 -4.8947 -4.8947 -4.6294 -4.6294 -4.5161 -4.5161 -4.3592 -4.3592 1.8853 1.8853 4.4830 4.4830 4.5524 4.5524 6.1387 6.1387 6.2688 6.2688 6.6273 6.6273 7.2966 7.2966 7.9073 7.9073 8.3858 8.3858 8.5816 8.5816 8.7865 8.7865 11.9894 11.9894 15.1039 15.1039 16.5495 16.5495 19.7561 19.7561 k = 0.1373-0.2493-0.4721 ( 1604 PWs) bands (ev): -10.5220 -10.5220 -9.2397 -9.2397 -5.0511 -5.0511 -4.8870 -4.8870 -4.6248 -4.6248 -4.5146 -4.5146 -4.3450 -4.3450 1.8918 1.8918 4.4075 4.4075 4.4737 4.4737 6.1155 6.1155 6.2557 6.2557 6.6199 6.6199 7.3327 7.3327 7.9036 7.9036 8.4025 8.4025 8.5721 8.5721 8.7761 8.7761 12.0533 12.0533 15.0920 15.0920 16.6503 16.6503 19.7016 19.7016 k = 0.1420-0.2579-0.4883 ( 1602 PWs) bands (ev): -10.4877 -10.4877 -9.2437 -9.2437 -5.0479 -5.0479 -4.8796 -4.8796 -4.6204 -4.6204 -4.5130 -4.5130 -4.3302 -4.3302 1.8975 1.8975 4.3338 4.3338 4.3962 4.3962 6.0914 6.0914 6.2387 6.2387 6.6147 6.6147 7.3693 7.3693 7.9001 7.9001 8.4180 8.4180 8.5653 8.5653 8.7656 8.7656 12.1165 12.1165 15.0802 15.0802 16.7512 16.7512 19.6482 19.6482 k = 0.1468-0.2664-0.5046 ( 1602 PWs) bands (ev): -10.4529 -10.4529 -9.2478 -9.2478 -5.0448 -5.0448 -4.8726 -4.8726 -4.6159 -4.6159 -4.5113 -4.5113 -4.3150 -4.3150 1.9024 1.9024 4.2619 4.2619 4.3200 4.3200 6.0666 6.0666 6.2177 6.2177 6.6115 6.6115 7.4064 7.4064 7.8968 7.8968 8.4310 8.4310 8.5624 8.5624 8.7549 8.7549 12.1791 12.1791 15.0687 15.0687 16.8519 16.8519 19.5956 19.5956 k = 0.1515-0.2750-0.5209 ( 1602 PWs) bands (ev): -10.4178 -10.4178 -9.2519 -9.2519 -5.0417 -5.0417 -4.8658 -4.8658 -4.6115 -4.6115 -4.5093 -4.5093 -4.2995 -4.2995 1.9064 1.9064 4.1918 4.1918 4.2453 4.2453 6.0412 6.0412 6.1928 6.1928 6.6103 6.6103 7.4437 7.4437 7.8938 7.8938 8.4398 8.4398 8.5650 8.5650 8.7443 8.7443 12.2410 12.2410 15.0576 15.0576 16.9523 16.9523 19.5434 19.5434 k = 0.1562-0.2836-0.5372 ( 1604 PWs) bands (ev): -10.3823 -10.3823 -9.2561 -9.2561 -5.0387 -5.0387 -4.8594 -4.8594 -4.6071 -4.6071 -4.5072 -4.5072 -4.2837 -4.2837 1.9094 1.9094 4.1238 4.1238 4.1724 4.1724 6.0153 6.0153 6.1645 6.1645 6.6106 6.6106 7.4810 7.4810 7.8912 7.8912 8.4435 8.4435 8.5742 8.5742 8.7337 8.7337 12.3020 12.3020 15.0473 15.0473 17.0523 17.0523 19.4911 19.4911 k = 0.1610-0.2922-0.5534 ( 1608 PWs) bands (ev): -10.3466 -10.3466 -9.2603 -9.2603 -5.0356 -5.0356 -4.8534 -4.8534 -4.6026 -4.6026 -4.5050 -4.5050 -4.2677 -4.2677 1.9113 1.9113 4.0579 4.0579 4.1014 4.1014 5.9890 5.9890 6.1329 6.1329 6.6122 6.6122 7.5182 7.5182 7.8890 7.8890 8.4425 8.4425 8.5893 8.5893 8.7233 8.7233 12.3622 12.3622 15.0379 15.0379 17.1517 17.1517 19.4384 19.4384 k = 0.1657-0.3008-0.5697 ( 1612 PWs) bands (ev): -10.3107 -10.3107 -9.2645 -9.2645 -5.0325 -5.0325 -4.8479 -4.8479 -4.5980 -4.5980 -4.5026 -4.5026 -4.2517 -4.2517 1.9122 1.9122 3.9942 3.9942 4.0326 4.0326 5.9624 5.9624 6.0983 6.0983 6.6146 6.6146 7.5551 7.5551 7.8874 7.8874 8.4382 8.4382 8.6088 8.6088 8.7135 8.7135 12.4216 12.4216 15.0297 15.0297 17.2501 17.2501 19.3847 19.3847 k = 0.1704-0.3094-0.5860 ( 1612 PWs) bands (ev): -10.2748 -10.2748 -9.2687 -9.2687 -5.0293 -5.0293 -4.8426 -4.8426 -4.5933 -4.5933 -4.5001 -4.5001 -4.2357 -4.2357 1.9121 1.9121 3.9325 3.9325 3.9662 3.9662 5.9357 5.9357 6.0612 6.0612 6.6175 6.6175 7.5913 7.5913 7.8866 7.8866 8.4320 8.4320 8.6304 8.6304 8.7054 8.7054 12.4800 12.4800 15.0229 15.0229 17.3474 17.3474 19.3296 19.3296 k = 0.1752-0.3180-0.6023 ( 1608 PWs) bands (ev): -10.2388 -10.2388 -9.2730 -9.2730 -5.0261 -5.0261 -4.8377 -4.8377 -4.5884 -4.5884 -4.4973 -4.4973 -4.2198 -4.2198 1.9109 1.9109 3.8731 3.8731 3.9024 3.9024 5.9088 5.9088 6.0216 6.0216 6.6206 6.6206 7.6265 7.6265 7.8868 7.8868 8.4247 8.4247 8.6496 8.6496 8.7025 8.7025 12.5375 12.5375 15.0178 15.0178 17.4433 17.4433 19.2729 19.2729 k = 0.1799-0.3266-0.6186 ( 1606 PWs) bands (ev): -10.2030 -10.2030 -9.2772 -9.2772 -5.0228 -5.0228 -4.8332 -4.8332 -4.5834 -4.5834 -4.4945 -4.4945 -4.2040 -4.2040 1.9087 1.9087 3.8157 3.8157 3.8414 3.8414 5.8820 5.8820 5.9800 5.9800 6.6237 6.6237 7.6605 7.6605 7.8880 7.8880 8.4170 8.4170 8.6572 8.6572 8.7133 8.7133 12.5940 12.5940 15.0147 15.0147 17.5373 17.5373 19.2141 19.2141 k = 0.1846-0.3352-0.6348 ( 1608 PWs) bands (ev): -10.1673 -10.1673 -9.2815 -9.2815 -5.0195 -5.0195 -4.8292 -4.8292 -4.5783 -4.5783 -4.4916 -4.4916 -4.1887 -4.1887 1.9054 1.9054 3.7604 3.7604 3.7833 3.7833 5.8552 5.8552 5.9365 5.9365 6.6265 6.6265 7.6926 7.6926 7.8907 7.8907 8.4091 8.4091 8.6531 8.6531 8.7378 8.7378 12.6495 12.6495 15.0137 15.0137 17.6288 17.6288 19.1530 19.1530 k = 0.1894-0.3438-0.6511 ( 1610 PWs) bands (ev): -10.1318 -10.1318 -9.2857 -9.2857 -5.0161 -5.0161 -4.8255 -4.8255 -4.5729 -4.5729 -4.4886 -4.4886 -4.1738 -4.1738 1.9013 1.9013 3.7071 3.7071 3.7282 3.7282 5.8287 5.8287 5.8912 5.8912 6.6288 6.6288 7.7223 7.7223 7.8953 7.8953 8.4014 8.4014 8.6445 8.6445 8.7684 8.7684 12.7040 12.7040 15.0152 15.0152 17.7168 17.7168 19.0896 19.0896 k = 0.1941-0.3524-0.6674 ( 1614 PWs) bands (ev): -10.0967 -10.0967 -9.2900 -9.2900 -5.0127 -5.0127 -4.8222 -4.8222 -4.5675 -4.5675 -4.4855 -4.4855 -4.1594 -4.1594 1.8963 1.8963 3.6561 3.6561 3.6762 3.6762 5.8024 5.8024 5.8446 5.8446 6.6305 6.6305 7.7491 7.7491 7.9023 7.9023 8.3941 8.3941 8.6345 8.6345 8.8018 8.8018 12.7575 12.7575 15.0192 15.0192 17.8000 17.8000 19.0238 19.0238 k = 0.1988-0.3610-0.6837 ( 1614 PWs) bands (ev): -10.0620 -10.0620 -9.2942 -9.2942 -5.0091 -5.0091 -4.8192 -4.8192 -4.5618 -4.5618 -4.4823 -4.4823 -4.1455 -4.1455 1.8906 1.8906 3.6074 3.6074 3.6271 3.6271 5.7757 5.7757 5.7974 5.7974 6.6315 6.6315 7.7721 7.7721 7.9124 7.9124 8.3873 8.3873 8.6240 8.6240 8.8372 8.8372 12.8102 12.8102 15.0262 15.0262 17.8759 17.8759 18.9557 18.9557 k = 0.2036-0.3696-0.6999 ( 1612 PWs) bands (ev): -10.0278 -10.0278 -9.2984 -9.2984 -5.0054 -5.0054 -4.8165 -4.8165 -4.5560 -4.5560 -4.4790 -4.4790 -4.1324 -4.1324 1.8842 1.8842 3.5612 3.5612 3.5807 3.5807 5.7413 5.7413 5.7572 5.7572 6.6315 6.6315 7.7910 7.7910 7.9260 7.9260 8.3811 8.3811 8.6132 8.6132 8.8740 8.8740 12.8620 12.8620 15.0361 15.0361 17.9407 17.9407 18.8839 18.8839 k = 0.2083-0.3782-0.7162 ( 1612 PWs) bands (ev): -9.9941 -9.9941 -9.3025 -9.3025 -5.0016 -5.0016 -4.8142 -4.8142 -4.5500 -4.5500 -4.4757 -4.4757 -4.1200 -4.1200 1.8774 1.8774 3.5176 3.5176 3.5370 3.5370 5.6929 5.6929 5.7305 5.7305 6.6306 6.6306 7.8058 7.8058 7.9427 7.9427 8.3755 8.3755 8.6023 8.6023 8.9118 8.9118 12.9130 12.9130 15.0492 15.0492 17.9873 17.9873 18.7964 18.7964 k = 0.2130-0.3868-0.7325 ( 1614 PWs) bands (ev): -9.9612 -9.9612 -9.3066 -9.3066 -4.9976 -4.9976 -4.8122 -4.8122 -4.5439 -4.5439 -4.4722 -4.4722 -4.1085 -4.1085 1.8702 1.8702 3.4763 3.4763 3.4962 3.4962 5.6413 5.6413 5.7066 5.7066 6.6286 6.6286 7.8174 7.8174 7.9617 7.9617 8.3705 8.3705 8.5915 8.5915 8.9506 8.9506 12.9633 12.9633 15.0656 15.0656 18.0056 18.0056 18.7177 18.7177 k = 0.2178-0.3954-0.7488 ( 1618 PWs) bands (ev): -9.9289 -9.9289 -9.3107 -9.3107 -4.9936 -4.9936 -4.8105 -4.8105 -4.5377 -4.5377 -4.4687 -4.4687 -4.0979 -4.0979 1.8629 1.8629 3.4371 3.4371 3.4585 3.4585 5.5885 5.5885 5.6839 5.6839 6.6256 6.6256 7.8265 7.8265 7.9821 7.9821 8.3662 8.3662 8.5807 8.5807 8.9900 8.9900 13.0131 13.0131 15.0853 15.0853 17.9856 17.9856 18.6534 18.6534 k = 0.2225-0.4040-0.7650 ( 1626 PWs) bands (ev): -9.8975 -9.8975 -9.3147 -9.3147 -4.9895 -4.9895 -4.8091 -4.8091 -4.5315 -4.5315 -4.4651 -4.4651 -4.0884 -4.0884 1.8555 1.8555 3.3993 3.3993 3.4245 3.4245 5.5347 5.5347 5.6624 5.6624 6.6213 6.6213 7.8340 7.8340 8.0029 8.0029 8.3626 8.3626 8.5700 8.5700 9.0298 9.0298 13.0625 13.0625 15.1085 15.1085 17.9261 17.9261 18.5835 18.5835 k = 0.2272-0.4126-0.7813 ( 1624 PWs) bands (ev): -9.8670 -9.8670 -9.3187 -9.3187 -4.9851 -4.9851 -4.8079 -4.8079 -4.5252 -4.5252 -4.4612 -4.4612 -4.0799 -4.0799 1.8482 1.8482 3.3627 3.3627 3.3945 3.3945 5.4802 5.4802 5.6419 5.6419 6.6159 6.6159 7.8407 7.8407 8.0237 8.0237 8.3598 8.3598 8.5596 8.5596 9.0698 9.0698 13.1118 13.1118 15.1351 15.1351 17.8364 17.8364 18.5102 18.5102 k = 0.2320-0.4212-0.7976 ( 1628 PWs) bands (ev): -9.8374 -9.8374 -9.3226 -9.3226 -4.9807 -4.9807 -4.8070 -4.8070 -4.5190 -4.5190 -4.4571 -4.4571 -4.0726 -4.0726 1.8413 1.8413 3.3270 3.3270 3.3686 3.3686 5.4250 5.4250 5.6225 5.6225 6.6093 6.6093 7.8469 7.8469 8.0438 8.0438 8.3577 8.3577 8.5493 8.5493 9.1098 9.1098 13.1612 13.1612 15.1651 15.1651 17.7278 17.7278 18.4361 18.4361 k = 0.2367-0.4298-0.8139 ( 1628 PWs) bands (ev): -9.8088 -9.8088 -9.3264 -9.3264 -4.9761 -4.9761 -4.8062 -4.8062 -4.5130 -4.5130 -4.4527 -4.4527 -4.0663 -4.0663 1.8348 1.8348 3.2922 3.2922 3.3467 3.3467 5.3692 5.3692 5.6043 5.6043 6.6015 6.6015 7.8528 7.8528 8.0629 8.0629 8.3562 8.3562 8.5394 8.5394 9.1495 9.1495 13.2109 13.2109 15.1985 15.1985 17.6082 17.6082 18.3622 18.3622 k = 0.2414-0.4383-0.8302 ( 1636 PWs) bands (ev): -9.7814 -9.7814 -9.3302 -9.3302 -4.9714 -4.9714 -4.8058 -4.8058 -4.5072 -4.5072 -4.4479 -4.4479 -4.0614 -4.0614 1.8290 1.8290 3.2584 3.2584 3.3287 3.3287 5.3131 5.3131 5.5873 5.5873 6.5924 6.5924 7.8587 7.8587 8.0808 8.0808 8.3554 8.3554 8.5297 8.5297 9.1887 9.1887 13.2613 13.2613 15.2351 15.2351 17.4825 17.4825 18.2893 18.2893 k = 0.2462-0.4469-0.8464 ( 1638 PWs) bands (ev): -9.7550 -9.7550 -9.3339 -9.3339 -4.9665 -4.9665 -4.8055 -4.8055 -4.5017 -4.5017 -4.4426 -4.4426 -4.0577 -4.0577 1.8238 1.8238 3.2256 3.2256 3.3146 3.3146 5.2568 5.2568 5.5715 5.5715 6.5822 6.5822 7.8647 7.8647 8.0974 8.0974 8.3552 8.3552 8.5205 8.5205 9.2271 9.2271 13.3126 13.3126 15.2746 15.2746 17.3533 17.3533 18.2178 18.2178 k = 0.2509-0.4555-0.8627 ( 1638 PWs) bands (ev): -9.7299 -9.7299 -9.3375 -9.3375 -4.9615 -4.9615 -4.8054 -4.8054 -4.4966 -4.4966 -4.4367 -4.4367 -4.0551 -4.0551 1.8195 1.8195 3.1937 3.1937 3.3043 3.3043 5.2003 5.2003 5.5568 5.5568 6.5709 6.5709 7.8709 7.8709 8.1126 8.1126 8.3554 8.3554 8.5119 8.5119 9.2645 9.2645 13.3651 13.3651 15.3170 15.3170 17.2223 17.2223 18.1480 18.1480 k = 0.2556-0.4641-0.8790 ( 1632 PWs) bands (ev): -9.7060 -9.7060 -9.3410 -9.3410 -4.9564 -4.9564 -4.8054 -4.8054 -4.4920 -4.4920 -4.4301 -4.4301 -4.0538 -4.0538 1.8162 1.8162 3.1628 3.1628 3.2976 3.2976 5.1438 5.1438 5.5434 5.5434 6.5584 6.5584 7.8774 7.8774 8.1263 8.1263 8.3562 8.3562 8.5039 8.5039 9.3009 9.3009 13.4192 13.4192 15.3620 15.3620 17.0903 17.0903 18.0805 18.0805 k = 0.2604-0.4727-0.8953 ( 1630 PWs) bands (ev): -9.6834 -9.6834 -9.3444 -9.3444 -4.9512 -4.9512 -4.8057 -4.8057 -4.4879 -4.4879 -4.4228 -4.4228 -4.0538 -4.0538 1.8139 1.8139 3.1330 3.1330 3.2946 3.2946 5.0876 5.0876 5.5312 5.5312 6.5449 6.5449 7.8841 7.8841 8.1385 8.1385 8.3570 8.3570 8.4967 8.4967 9.3358 9.3358 13.4752 13.4752 15.4091 15.4091 16.9581 16.9581 18.0155 18.0155 k = 0.2651-0.4813-0.9115 ( 1628 PWs) bands (ev): -9.6621 -9.6621 -9.3477 -9.3477 -4.9459 -4.9459 -4.8062 -4.8062 -4.4844 -4.4844 -4.4148 -4.4148 -4.0550 -4.0550 1.8127 1.8127 3.1042 3.1042 3.2949 3.2949 5.0317 5.0317 5.5201 5.5201 6.5303 6.5303 7.8910 7.8910 8.1491 8.1491 8.3579 8.3579 8.4906 8.4906 9.3692 9.3692 13.5333 13.5333 15.4581 15.4581 16.8261 16.8261 17.9535 17.9535 k = 0.2698-0.4899-0.9278 ( 1630 PWs) bands (ev): -9.6421 -9.6421 -9.3510 -9.3510 -4.9405 -4.9405 -4.8070 -4.8070 -4.4814 -4.4814 -4.4062 -4.4062 -4.0576 -4.0576 1.8125 1.8125 3.0768 3.0768 3.2986 3.2986 4.9763 4.9763 5.5101 5.5101 6.5148 6.5148 7.8982 7.8982 8.1581 8.1581 8.3585 8.3585 8.4855 8.4855 9.4008 9.4008 13.5938 13.5938 15.5084 15.5084 16.6945 16.6945 17.8948 17.8948 k = 0.2746-0.4985-0.9441 ( 1632 PWs) bands (ev): -9.6235 -9.6235 -9.3541 -9.3541 -4.9352 -4.9352 -4.8080 -4.8080 -4.4789 -4.4789 -4.3970 -4.3970 -4.0613 -4.0613 1.8135 1.8135 3.0506 3.0506 3.3053 3.3053 4.9217 4.9217 5.5013 5.5013 6.4984 6.4984 7.9055 7.9055 8.1656 8.1656 8.3586 8.3586 8.4820 8.4820 9.4307 9.4307 13.6570 13.6570 15.5596 15.5596 16.5636 16.5636 17.8399 17.8399 k = 0.2793-0.5071-0.9604 ( 1630 PWs) bands (ev): -9.6063 -9.6063 -9.3572 -9.3572 -4.9297 -4.9297 -4.8092 -4.8092 -4.4768 -4.4768 -4.3872 -4.3872 -4.0661 -4.0661 1.8154 1.8154 3.0260 3.0260 3.3148 3.3148 4.8681 4.8681 5.4934 5.4934 6.4812 6.4812 7.9131 7.9131 8.1716 8.1716 8.3580 8.3580 8.4801 8.4801 9.4586 9.4586 13.7230 13.7230 15.6111 15.6111 16.4335 16.4335 17.7893 17.7893 k = 0.2840-0.5157-0.9767 ( 1630 PWs) bands (ev): -9.5905 -9.5905 -9.3602 -9.3602 -4.9243 -4.9243 -4.8106 -4.8106 -4.4750 -4.4750 -4.3770 -4.3770 -4.0720 -4.0720 1.8183 1.8183 3.0031 3.0031 3.3269 3.3269 4.8157 4.8157 5.4865 5.4865 6.4633 6.4633 7.9208 7.9208 8.1761 8.1761 8.3564 8.3564 8.4800 8.4800 9.4846 9.4846 13.7921 13.7921 15.6622 15.6622 16.3044 16.3044 17.7435 17.7435 k = 0.2888-0.5243-0.9929 ( 1626 PWs) bands (ev): -9.5761 -9.5761 -9.3631 -9.3631 -4.9188 -4.9188 -4.8122 -4.8122 -4.4736 -4.4736 -4.3664 -4.3664 -4.0790 -4.0790 1.8219 1.8219 2.9822 2.9822 3.3412 3.3412 4.7649 4.7649 5.4806 5.4806 6.4447 6.4447 7.9285 7.9285 8.1794 8.1794 8.3537 8.3537 8.4819 8.4819 9.5086 9.5086 13.8643 13.8643 15.7122 15.7122 16.1764 16.1764 17.7032 17.7032 k = 0.2935-0.5329-1.0092 ( 1628 PWs) bands (ev): -9.5630 -9.5630 -9.3658 -9.3658 -4.9135 -4.9135 -4.8141 -4.8141 -4.4725 -4.4725 -4.3555 -4.3555 -4.0869 -4.0869 1.8262 1.8262 2.9635 2.9635 3.3573 3.3573 4.7161 4.7161 5.4754 5.4754 6.4255 6.4255 7.9360 7.9360 8.1815 8.1815 8.3499 8.3499 8.4855 8.4855 9.5306 9.5306 13.9397 13.9397 15.7601 15.7601 16.0496 16.0496 17.6690 17.6690 k = 0.2982-0.5415-1.0255 ( 1632 PWs) bands (ev): -9.5513 -9.5513 -9.3685 -9.3685 -4.9083 -4.9083 -4.8162 -4.8162 -4.4716 -4.4716 -4.3444 -4.3444 -4.0957 -4.0957 1.8309 1.8309 2.9473 2.9473 3.3748 3.3748 4.6695 4.6695 5.4711 5.4711 6.4059 6.4059 7.9433 7.9433 8.1825 8.1825 8.3450 8.3450 8.4909 8.4909 9.5506 9.5506 14.0184 14.0184 15.8050 15.8050 15.9242 15.9242 17.6418 17.6418 k = 0.3030-0.5501-1.0418 ( 1630 PWs) bands (ev): -9.5409 -9.5409 -9.3711 -9.3711 -4.9032 -4.9032 -4.8185 -4.8185 -4.4709 -4.4709 -4.3331 -4.3331 -4.1051 -4.1051 1.8358 1.8358 2.9340 2.9340 3.3929 3.3929 4.6259 4.6259 5.4674 5.4674 6.3859 6.3859 7.9502 7.9502 8.1829 8.1829 8.3392 8.3392 8.4978 8.4978 9.5688 9.5688 14.1003 14.1003 15.7989 15.7989 15.8472 15.8472 17.6224 17.6224 k = 0.3077-0.5587-1.0580 ( 1626 PWs) bands (ev): -9.5319 -9.5319 -9.3736 -9.3736 -4.8983 -4.8983 -4.8209 -4.8209 -4.4703 -4.4703 -4.3219 -4.3219 -4.1151 -4.1151 1.8407 1.8407 2.9240 2.9240 3.4112 3.4112 4.5857 4.5857 5.4644 5.4644 6.3657 6.3657 7.9565 7.9565 8.1828 8.1828 8.3327 8.3327 8.5061 8.5061 9.5851 9.5851 14.1855 14.1855 15.6767 15.6767 15.8829 15.8829 17.6116 17.6116 k = 0.3124-0.5673-1.0743 ( 1622 PWs) bands (ev): -9.5241 -9.5241 -9.3760 -9.3760 -4.8936 -4.8936 -4.8234 -4.8234 -4.4699 -4.4699 -4.3109 -4.3109 -4.1254 -4.1254 1.8451 1.8451 2.9175 2.9175 3.4288 3.4288 4.5495 4.5495 5.4619 5.4619 6.3453 6.3453 7.9618 7.9618 8.1825 8.1825 8.3254 8.3254 8.5155 8.5155 9.5998 9.5998 14.2737 14.2737 15.5554 15.5554 15.9132 15.9132 17.6103 17.6103 k = 0.3172-0.5759-1.0906 ( 1622 PWs) bands (ev): -9.5176 -9.5176 -9.3783 -9.3783 -4.8895 -4.8895 -4.8259 -4.8259 -4.4696 -4.4696 -4.3004 -4.3004 -4.1358 -4.1358 1.8488 1.8488 2.9150 2.9150 3.4449 3.4449 4.5182 4.5182 5.4599 5.4599 6.3248 6.3248 7.9657 7.9657 8.1825 8.1825 8.3177 8.3177 8.5258 8.5258 9.6127 9.6127 14.3648 14.3648 15.4356 15.4356 15.9368 15.9368 17.6190 17.6190 k = 0.3219-0.5845-1.1069 ( 1624 PWs) bands (ev): -9.5123 -9.5123 -9.3805 -9.3805 -4.8859 -4.8859 -4.8282 -4.8282 -4.4694 -4.4694 -4.2907 -4.2907 -4.1459 -4.1459 1.8515 1.8515 2.9168 2.9168 3.4586 3.4586 4.4924 4.4924 5.4583 5.4583 6.3044 6.3044 7.9678 7.9678 8.1829 8.1829 8.3096 8.3096 8.5370 8.5370 9.6241 9.6241 14.4587 14.4587 15.3174 15.3174 15.9531 15.9531 17.6383 17.6383 k = 0.3266-0.5931-1.1232 ( 1626 PWs) bands (ev): -9.5082 -9.5082 -9.3826 -9.3826 -4.8831 -4.8831 -4.8301 -4.8301 -4.4693 -4.4693 -4.2825 -4.2825 -4.1550 -4.1550 1.8529 1.8529 2.9232 2.9232 3.4690 3.4690 4.4729 4.4729 5.4570 5.4570 6.2841 6.2841 7.9679 7.9679 8.1843 8.1843 8.3012 8.3012 8.5490 8.5490 9.6342 9.6342 14.5550 14.5550 15.2009 15.2009 15.9616 15.9616 17.6685 17.6685 k = 0.3314-0.6017-1.1394 ( 1626 PWs) bands (ev): -9.5052 -9.5052 -9.3846 -9.3846 -4.8815 -4.8815 -4.8315 -4.8315 -4.4693 -4.4693 -4.2763 -4.2763 -4.1622 -4.1622 1.8528 1.8528 2.9344 2.9344 3.4752 3.4752 4.4605 4.4605 5.4561 5.4561 6.2642 6.2642 7.9656 7.9656 8.1868 8.1868 8.2929 8.2929 8.5615 8.5615 9.6430 9.6430 14.6535 14.6535 15.0863 15.0863 15.9625 15.9625 17.7094 17.7094 k = 0.3361-0.6102-1.1557 ( 1622 PWs) bands (ev): -9.5032 -9.5032 -9.3865 -9.3865 -4.8811 -4.8811 -4.8319 -4.8319 -4.4693 -4.4693 -4.2732 -4.2732 -4.1667 -4.1667 1.8511 1.8511 2.9507 2.9507 3.4767 3.4767 4.4555 4.4555 5.4552 5.4552 6.2447 6.2447 7.9608 7.9608 8.1904 8.1904 8.2850 8.2850 8.5747 8.5747 9.6507 9.6507 14.7535 14.7535 14.9741 14.9741 15.9558 15.9558 17.7607 17.7607 k = 0.3408-0.6188-1.1720 ( 1618 PWs) bands (ev): -9.5023 -9.5023 -9.3884 -9.3884 -4.8822 -4.8822 -4.8313 -4.8313 -4.4694 -4.4694 -4.2740 -4.2740 -4.1675 -4.1675 1.8476 1.8476 2.9720 2.9720 3.4729 3.4729 4.4582 4.4582 5.4546 5.4546 6.2258 6.2258 7.9534 7.9534 8.1947 8.1947 8.2781 8.2781 8.5883 8.5883 9.6574 9.6574 14.8389 14.8389 14.8798 14.8798 15.9421 15.9421 17.8218 17.8218 k = 0.6592-0.4903-1.0945 ( 1618 PWs) bands (ev): -9.5023 -9.5023 -9.3884 -9.3884 -4.8822 -4.8822 -4.8313 -4.8313 -4.4694 -4.4694 -4.2740 -4.2740 -4.1675 -4.1675 1.8476 1.8476 2.9720 2.9720 3.4729 3.4729 4.4582 4.4582 5.4546 5.4546 6.2258 6.2258 7.9534 7.9534 8.1947 8.1947 8.2781 8.2781 8.5883 8.5883 9.6574 9.6574 14.8389 14.8389 14.8798 14.8798 15.9421 15.9421 17.8218 17.8218 k = 0.6545-0.4721-1.0945 ( 1618 PWs) bands (ev): -9.5022 -9.5022 -9.3901 -9.3901 -4.8847 -4.8847 -4.8298 -4.8298 -4.4696 -4.4696 -4.2787 -4.2787 -4.1647 -4.1647 1.8424 1.8424 2.9981 2.9981 3.4640 3.4640 4.4683 4.4683 5.4540 5.4540 6.2078 6.2078 7.9435 7.9435 8.1986 8.1986 8.2729 8.2729 8.6022 8.6022 9.6631 9.6631 14.7506 14.7506 14.9627 14.9627 15.9222 15.9222 17.8913 17.8913 k = 0.6498-0.4538-1.0945 ( 1620 PWs) bands (ev): -9.5031 -9.5031 -9.3918 -9.3918 -4.8884 -4.8884 -4.8275 -4.8275 -4.4698 -4.4698 -4.2866 -4.2866 -4.1590 -4.1590 1.8355 1.8355 3.0292 3.0292 3.4502 3.4502 4.4852 4.4852 5.4534 5.4534 6.1906 6.1906 7.9312 7.9312 8.2010 8.2010 8.2709 8.2709 8.6164 8.6164 9.6681 9.6681 14.6452 14.6452 15.0655 15.0655 15.8966 15.8966 17.9690 17.9690 k = 0.6451-0.4356-1.0945 ( 1620 PWs) bands (ev): -9.5047 -9.5047 -9.3933 -9.3933 -4.8931 -4.8931 -4.8247 -4.8247 -4.4702 -4.4702 -4.2966 -4.2966 -4.1512 -4.1512 1.8270 1.8270 3.0650 3.0650 3.4319 3.4319 4.5085 4.5085 5.4527 5.4527 6.1745 6.1745 7.9168 7.9168 8.2005 8.2005 8.2731 8.2731 8.6310 8.6310 9.6723 9.6723 14.5411 14.5411 15.1697 15.1697 15.8660 15.8660 18.0542 18.0542 k = 0.6404-0.4174-1.0945 ( 1622 PWs) bands (ev): -9.5071 -9.5071 -9.3948 -9.3948 -4.8986 -4.8986 -4.8215 -4.8215 -4.4708 -4.4708 -4.3079 -4.3079 -4.1420 -4.1420 1.8171 1.8171 3.1054 3.1054 3.4097 3.4097 4.5371 4.5371 5.4519 5.4519 6.1595 6.1595 7.9004 7.9004 8.1967 8.1967 8.2797 8.2797 8.6458 8.6458 9.6760 9.6760 14.4388 14.4388 15.2743 15.2743 15.8311 15.8311 18.1461 18.1461 k = 0.6357-0.3992-1.0945 ( 1622 PWs) bands (ev): -9.5101 -9.5101 -9.3962 -9.3962 -4.9047 -4.9047 -4.8181 -4.8181 -4.4715 -4.4715 -4.3200 -4.3200 -4.1321 -4.1321 1.8058 1.8058 3.1500 3.1500 3.3844 3.3844 4.5701 4.5701 5.4509 5.4509 6.1459 6.1459 7.8824 7.8824 8.1904 8.1904 8.2901 8.2901 8.6609 8.6609 9.6792 9.6792 14.3386 14.3386 15.3787 15.3787 15.7926 15.7926 18.2442 18.2442 k = 0.6311-0.3810-1.0945 ( 1622 PWs) bands (ev): -9.5137 -9.5137 -9.3975 -9.3975 -4.9112 -4.9112 -4.8146 -4.8146 -4.4724 -4.4724 -4.3324 -4.3324 -4.1216 -4.1216 1.7934 1.7934 3.1986 3.1986 3.3565 3.3565 4.6066 4.6066 5.4497 5.4497 6.1339 6.1339 7.8629 7.8629 8.1824 8.1824 8.3031 8.3031 8.6763 8.6763 9.6819 9.6819 14.2405 14.2405 15.4824 15.4824 15.7513 15.7513 18.3478 18.3478 k = 0.6264-0.3628-1.0945 ( 1626 PWs) bands (ev): -9.5179 -9.5179 -9.3988 -9.3988 -4.9182 -4.9182 -4.8112 -4.8112 -4.4738 -4.4738 -4.3447 -4.3447 -4.1110 -4.1110 1.7802 1.7802 3.2506 3.2506 3.3270 3.3270 4.6456 4.6456 5.4481 5.4481 6.1237 6.1237 7.8420 7.8420 8.1735 8.1735 8.3180 8.3180 8.6917 8.6917 9.6843 9.6843 14.1446 14.1446 15.5835 15.5835 15.7091 15.7091 18.4564 18.4564 k = 0.6217-0.3446-1.0945 ( 1628 PWs) bands (ev): -9.5225 -9.5225 -9.4000 -9.4000 -4.9255 -4.9255 -4.8078 -4.8078 -4.4756 -4.4756 -4.3565 -4.3565 -4.1003 -4.1003 1.7661 1.7661 3.2908 3.2908 3.3114 3.3114 4.6863 4.6863 5.4462 5.4462 6.1154 6.1154 7.8201 7.8201 8.1639 8.1639 8.3342 8.3342 8.7074 8.7074 9.6863 9.6863 14.0509 14.0509 15.6449 15.6449 15.7031 15.7031 18.5692 18.5692 k = 0.6170-0.3264-1.0945 ( 1628 PWs) bands (ev): -9.5276 -9.5276 -9.4011 -9.4011 -4.9331 -4.9331 -4.8044 -4.8044 -4.4779 -4.4779 -4.3677 -4.3677 -4.0897 -4.0897 1.7516 1.7516 3.2618 3.2618 3.3670 3.3670 4.7278 4.7278 5.4440 5.4440 6.1093 6.1093 7.7973 7.7973 8.1541 8.1541 8.3514 8.3514 8.7233 8.7233 9.6880 9.6880 13.9596 13.9596 15.6052 15.6052 15.7948 15.7948 18.6845 18.6845 k = 0.6123-0.3082-1.0945 ( 1628 PWs) bands (ev): -9.5330 -9.5330 -9.4022 -9.4022 -4.9407 -4.9407 -4.8011 -4.8011 -4.4809 -4.4809 -4.3780 -4.3780 -4.0793 -4.0793 1.7366 1.7366 3.2293 3.2293 3.4285 3.4285 4.7695 4.7695 5.4412 5.4412 6.1055 6.1055 7.7738 7.7738 8.1440 8.1440 8.3693 8.3693 8.7392 8.7392 9.6895 9.6895 13.8707 13.8707 15.5561 15.5561 15.8925 15.8925 18.6811 18.6811 k = 0.6077-0.2900-1.0945 ( 1630 PWs) bands (ev): -9.5387 -9.5387 -9.4031 -9.4031 -4.9486 -4.9486 -4.7980 -4.7980 -4.4848 -4.4848 -4.3871 -4.3871 -4.0690 -4.0690 1.7215 1.7215 3.1964 3.1964 3.4927 3.4927 4.8105 4.8105 5.4379 5.4379 6.1043 6.1043 7.7497 7.7497 8.1339 8.1339 8.3878 8.3878 8.7552 8.7552 9.6908 9.6908 13.7844 13.7844 15.5048 15.5048 15.9889 15.9889 18.5728 18.5728 k = 0.6030-0.2718-1.0945 ( 1632 PWs) bands (ev): -9.5447 -9.5447 -9.4041 -9.4041 -4.9565 -4.9565 -4.7951 -4.7951 -4.4896 -4.4896 -4.3950 -4.3950 -4.0591 -4.0591 1.7062 1.7062 3.1636 3.1636 3.5591 3.5591 4.8502 4.8502 5.4340 5.4340 6.1059 6.1059 7.7251 7.7251 8.1238 8.1238 8.4066 8.4066 8.7712 8.7712 9.6919 9.6919 13.7006 13.7006 15.4525 15.4525 16.0830 16.0830 18.4635 18.4635 k = 0.5983-0.2536-1.0945 ( 1628 PWs) bands (ev): -9.5508 -9.5508 -9.4049 -9.4049 -4.9643 -4.9643 -4.7923 -4.7923 -4.4953 -4.4953 -4.4013 -4.4013 -4.0494 -4.0494 1.6910 1.6910 3.1311 3.1311 3.6273 3.6273 4.8882 4.8882 5.4295 5.4295 6.1104 6.1104 7.7004 7.7004 8.1138 8.1138 8.4258 8.4258 8.7873 8.7873 9.6929 9.6929 13.6195 13.6195 15.3995 15.3995 16.1743 16.1743 18.3549 18.3549 k = 0.5936-0.2354-1.0945 ( 1626 PWs) bands (ev): -9.5570 -9.5570 -9.4057 -9.4057 -4.9722 -4.9722 -4.7897 -4.7897 -4.5019 -4.5019 -4.4063 -4.4063 -4.0401 -4.0401 1.6760 1.6760 3.0992 3.0992 3.6972 3.6972 4.9240 4.9240 5.4242 5.4242 6.1177 6.1177 7.6756 7.6756 8.1038 8.1038 8.4451 8.4451 8.8034 8.8034 9.6936 9.6936 13.5412 13.5412 15.3462 15.3462 16.2626 16.2626 18.2473 18.2473 k = 0.5889-0.2172-1.0945 ( 1622 PWs) bands (ev): -9.5632 -9.5632 -9.4065 -9.4065 -4.9800 -4.9800 -4.7873 -4.7873 -4.5092 -4.5092 -4.4101 -4.4101 -4.0312 -4.0312 1.6612 1.6612 3.0680 3.0680 3.7682 3.7682 4.9571 4.9571 5.4181 5.4181 6.1281 6.1281 7.6506 7.6506 8.0941 8.0941 8.4645 8.4645 8.8194 8.8194 9.6943 9.6943 13.4657 13.4657 15.2929 15.2929 16.3475 16.3475 18.1414 18.1414 k = 0.5843-0.1990-1.0945 ( 1622 PWs) bands (ev): -9.5695 -9.5695 -9.4072 -9.4072 -4.9877 -4.9877 -4.7851 -4.7851 -4.5170 -4.5170 -4.4128 -4.4128 -4.0226 -4.0226 1.6468 1.6468 3.0378 3.0378 3.8402 3.8402 4.9873 4.9873 5.4112 5.4112 6.1413 6.1413 7.6258 7.6258 8.0845 8.0845 8.4837 8.4837 8.8353 8.8353 9.6948 9.6948 13.3932 13.3932 15.2398 15.2398 16.4287 16.4287 18.0376 18.0376 k = 0.5796-0.1808-1.0945 ( 1628 PWs) bands (ev): -9.5758 -9.5758 -9.4078 -9.4078 -4.9953 -4.9953 -4.7832 -4.7832 -4.5252 -4.5252 -4.4148 -4.4148 -4.0146 -4.0146 1.6329 1.6329 3.0086 3.0086 3.9128 3.9128 5.0145 5.0145 5.4032 5.4032 6.1571 6.1571 7.6013 7.6013 8.0750 8.0750 8.5027 8.5027 8.8509 8.8509 9.6952 9.6952 13.3237 13.3237 15.1874 15.1874 16.5062 16.5062 17.9362 17.9362 k = 0.5749-0.1626-1.0945 ( 1626 PWs) bands (ev): -9.5819 -9.5819 -9.4084 -9.4084 -5.0026 -5.0026 -4.7814 -4.7814 -4.5332 -4.5332 -4.4160 -4.4160 -4.0069 -4.0069 1.6194 1.6194 2.9805 2.9805 3.9858 3.9858 5.0386 5.0386 5.3942 5.3942 6.1755 6.1755 7.5772 7.5772 8.0659 8.0659 8.5215 8.5215 8.8664 8.8664 9.6955 9.6955 13.2574 13.2574 15.1359 15.1359 16.5796 16.5796 17.8377 17.8377 k = 0.5702-0.1444-1.0945 ( 1628 PWs) bands (ev): -9.5879 -9.5879 -9.4090 -9.4090 -5.0098 -5.0098 -4.7799 -4.7799 -4.5413 -4.5413 -4.4168 -4.4168 -3.9997 -3.9997 1.6065 1.6065 2.9538 2.9538 4.0588 4.0588 5.0596 5.0596 5.3841 5.3841 6.1959 6.1959 7.5536 7.5536 8.0570 8.0570 8.5398 8.5398 8.8816 8.8816 9.6957 9.6957 13.1944 13.1944 15.0855 15.0855 16.6489 16.6489 17.7426 17.7426 k = 0.5655-0.1262-1.0945 ( 1620 PWs) bands (ev): -9.5937 -9.5937 -9.4095 -9.4095 -5.0166 -5.0166 -4.7785 -4.7785 -4.5489 -4.5489 -4.4171 -4.4171 -3.9928 -3.9928 1.5943 1.5943 2.9284 2.9284 4.1315 4.1315 5.0778 5.0778 5.3727 5.3727 6.2181 6.2181 7.5308 7.5308 8.0485 8.0485 8.5576 8.5576 8.8965 8.8965 9.6959 9.6959 13.1347 13.1347 15.0366 15.0366 16.7139 16.7139 17.6511 17.6511 k = 0.5609-0.1080-1.0945 ( 1622 PWs) bands (ev): -9.5993 -9.5993 -9.4100 -9.4100 -5.0231 -5.0231 -4.7774 -4.7774 -4.5563 -4.5563 -4.4171 -4.4171 -3.9865 -3.9865 1.5827 1.5827 2.9045 2.9045 4.2037 4.2037 5.0931 5.0931 5.3600 5.3600 6.2414 6.2414 7.5087 7.5087 8.0403 8.0403 8.5748 8.5748 8.9108 8.9108 9.6959 9.6959 13.0786 13.0786 14.9896 14.9896 16.7746 16.7746 17.5639 17.5639 k = 0.5562-0.0898-1.0945 ( 1622 PWs) bands (ev): -9.6047 -9.6047 -9.4104 -9.4104 -5.0294 -5.0294 -4.7765 -4.7765 -4.5633 -4.5633 -4.4170 -4.4170 -3.9806 -3.9806 1.5719 1.5719 2.8821 2.8821 4.2751 4.2751 5.1060 5.1060 5.3458 5.3458 6.2654 6.2654 7.4875 7.4875 8.0324 8.0324 8.5913 8.5913 8.9247 8.9247 9.6959 9.6959 13.0260 13.0260 14.9446 14.9446 16.8308 16.8308 17.4811 17.4811 k = 0.5515-0.0716-1.0945 ( 1618 PWs) bands (ev): -9.6097 -9.6097 -9.4108 -9.4108 -5.0352 -5.0352 -4.7757 -4.7757 -4.5697 -4.5697 -4.4167 -4.4167 -3.9751 -3.9751 1.5617 1.5617 2.8613 2.8613 4.3453 4.3453 5.1166 5.1166 5.3300 5.3300 6.2897 6.2897 7.4673 7.4673 8.0251 8.0251 8.6070 8.6070 8.9380 8.9380 9.6959 9.6959 12.9771 12.9771 14.9019 14.9019 16.8825 16.8825 17.4033 17.4033 k = 0.5468-0.0534-1.0945 ( 1620 PWs) bands (ev): -9.6144 -9.6144 -9.4111 -9.4111 -5.0407 -5.0407 -4.7751 -4.7751 -4.5757 -4.5757 -4.4163 -4.4163 -3.9702 -3.9702 1.5524 1.5524 2.8421 2.8421 4.4142 4.4142 5.1253 5.1253 5.3126 5.3126 6.3137 6.3137 7.4482 7.4482 8.0182 8.0182 8.6217 8.6217 8.9506 8.9506 9.6958 9.6958 12.9320 12.9320 14.8619 14.8619 16.9297 16.9297 17.3308 17.3308 k = 0.5421-0.0352-1.0945 ( 1620 PWs) bands (ev): -9.6188 -9.6188 -9.4114 -9.4114 -5.0457 -5.0457 -4.7746 -4.7746 -4.5810 -4.5810 -4.4158 -4.4158 -3.9657 -3.9657 1.5439 1.5439 2.8246 2.8246 4.4813 4.4813 5.1322 5.1322 5.2935 5.2935 6.3369 6.3369 7.4305 7.4305 8.0117 8.0117 8.6354 8.6354 8.9624 8.9624 9.6957 9.6957 12.8908 12.8908 14.8248 14.8248 16.9723 16.9723 17.2640 17.2640 k = 0.5374-0.0170-1.0945 ( 1620 PWs) bands (ev): -9.6227 -9.6227 -9.4117 -9.4117 -5.0502 -5.0502 -4.7743 -4.7743 -4.5859 -4.5859 -4.4153 -4.4153 -3.9616 -3.9616 1.5363 1.5363 2.8088 2.8088 4.5465 4.5465 5.1376 5.1376 5.2725 5.2725 6.3589 6.3589 7.4143 7.4143 8.0059 8.0059 8.6479 8.6479 8.9733 8.9733 9.6956 9.6956 12.8537 12.8537 14.7908 14.7908 17.0104 17.0104 17.2032 17.2032 k = 0.5328 0.0012-1.0945 ( 1620 PWs) bands (ev): -9.6263 -9.6263 -9.4119 -9.4119 -5.0543 -5.0543 -4.7740 -4.7740 -4.5901 -4.5901 -4.4149 -4.4149 -3.9581 -3.9581 1.5294 1.5294 2.7949 2.7949 4.6095 4.6095 5.1416 5.1416 5.2498 5.2498 6.3793 6.3793 7.3995 7.3995 8.0006 8.0006 8.6592 8.6592 8.9833 8.9833 9.6954 9.6954 12.8207 12.8207 14.7602 14.7602 17.0438 17.0438 17.1488 17.1488 k = 0.5281 0.0194-1.0945 ( 1616 PWs) bands (ev): -9.6294 -9.6294 -9.4121 -9.4121 -5.0578 -5.0578 -4.7739 -4.7739 -4.5937 -4.5937 -4.4144 -4.4144 -3.9550 -3.9550 1.5235 1.5235 2.7827 2.7827 4.6698 4.6698 5.1443 5.1443 5.2254 5.2254 6.3977 6.3977 7.3865 7.3865 7.9959 7.9959 8.6692 8.6692 8.9922 8.9922 9.6953 9.6953 12.7918 12.7918 14.7333 14.7333 17.0719 17.0719 17.1019 17.1019 k = 0.5234 0.0376-1.0945 ( 1618 PWs) bands (ev): -9.6321 -9.6321 -9.4123 -9.4123 -5.0609 -5.0609 -4.7738 -4.7738 -4.5969 -4.5969 -4.4140 -4.4140 -3.9524 -3.9524 1.5185 1.5185 2.7723 2.7723 4.7273 4.7273 5.1451 5.1451 5.2001 5.2001 6.4137 6.4137 7.3753 7.3753 7.9919 7.9919 8.6778 8.6778 8.9998 8.9998 9.6951 9.6951 12.7673 12.7673 14.7101 14.7101 17.0586 17.0586 17.0987 17.0987 k = 0.5187 0.0558-1.0945 ( 1618 PWs) bands (ev): -9.6343 -9.6343 -9.4125 -9.4125 -5.0634 -5.0634 -4.7738 -4.7738 -4.5994 -4.5994 -4.4136 -4.4136 -3.9503 -3.9503 1.5143 1.5143 2.7638 2.7638 4.7813 4.7813 5.1418 5.1418 5.1767 5.1767 6.4272 6.4272 7.3659 7.3659 7.9886 7.9886 8.6849 8.6849 9.0062 9.0062 9.6950 9.6950 12.7471 12.7471 14.6909 14.6909 17.0253 17.0253 17.1182 17.1182 k = 0.5140 0.0740-1.0945 ( 1616 PWs) bands (ev): -9.6361 -9.6361 -9.4126 -9.4126 -5.0654 -5.0654 -4.7737 -4.7737 -4.6013 -4.6013 -4.4133 -4.4133 -3.9486 -3.9486 1.5111 1.5111 2.7572 2.7572 4.8311 4.8311 5.1267 5.1267 5.1633 5.1633 6.4380 6.4380 7.3586 7.3586 7.9860 7.9860 8.6905 8.6905 9.0113 9.0113 9.6949 9.6949 12.7313 12.7313 14.6758 14.6758 16.9988 16.9988 17.1336 17.1336 k = 0.5094 0.0922-1.0945 ( 1612 PWs) bands (ev): -9.6373 -9.6373 -9.4126 -9.4126 -5.0668 -5.0668 -4.7737 -4.7737 -4.6027 -4.6027 -4.4131 -4.4131 -3.9474 -3.9474 1.5088 1.5088 2.7524 2.7524 4.8748 4.8748 5.1018 5.1018 5.1598 5.1598 6.4458 6.4458 7.3533 7.3533 7.9841 7.9841 8.6946 8.6946 9.0149 9.0149 9.6948 9.6948 12.7200 12.7200 14.6649 14.6649 16.9798 16.9798 17.1447 17.1447 k = 0.5047 0.1104-1.0945 ( 1612 PWs) bands (ev): -9.6381 -9.6381 -9.4127 -9.4127 -5.0676 -5.0676 -4.7737 -4.7737 -4.6035 -4.6035 -4.4130 -4.4130 -3.9467 -3.9467 1.5074 1.5074 2.7496 2.7496 4.9081 4.9081 5.0785 5.0785 5.1589 5.1589 6.4505 6.4505 7.3502 7.3502 7.9829 7.9829 8.6970 8.6970 9.0171 9.0171 9.6948 9.6948 12.7132 12.7132 14.6584 14.6584 16.9683 16.9683 17.1513 17.1513 k = 0.5000 0.1286-1.0945 ( 1612 PWs) bands (ev): -9.6383 -9.6383 -9.4127 -9.4127 -5.0679 -5.0679 -4.7737 -4.7737 -4.6038 -4.6038 -4.4129 -4.4129 -3.9464 -3.9464 1.5069 1.5069 2.7486 2.7486 4.9218 4.9218 5.0681 5.0681 5.1587 5.1587 6.4521 6.4521 7.3491 7.3491 7.9826 7.9826 8.6979 8.6979 9.0178 9.0178 9.6947 9.6947 12.7109 12.7109 14.6562 14.6562 16.9645 16.9645 17.1535 17.1535 k = 0.5000 0.1286-1.0945 ( 1612 PWs) bands (ev): -9.6383 -9.6383 -9.4127 -9.4127 -5.0679 -5.0679 -4.7737 -4.7737 -4.6038 -4.6038 -4.4129 -4.4129 -3.9464 -3.9464 1.5069 1.5069 2.7486 2.7486 4.9218 4.9218 5.0681 5.0681 5.1587 5.1587 6.4521 6.4521 7.3491 7.3491 7.9826 7.9826 8.6979 8.6979 9.0178 9.0178 9.6947 9.6947 12.7109 12.7109 14.6562 14.6562 16.9645 16.9645 17.1535 17.1535 k = 0.5159 0.1327-1.0867 ( 1610 PWs) bands (ev): -9.6380 -9.6380 -9.4131 -9.4131 -5.0679 -5.0679 -4.7737 -4.7737 -4.6037 -4.6037 -4.4129 -4.4129 -3.9463 -3.9463 1.5075 1.5075 2.7475 2.7475 4.9158 4.9158 5.0679 5.0679 5.1647 5.1647 6.4539 6.4539 7.3491 7.3491 7.9842 7.9842 8.6978 8.6978 9.0168 9.0168 9.6943 9.6943 12.7074 12.7074 14.6590 14.6590 16.9201 16.9201 17.1994 17.1994 k = 0.5318 0.1368-1.0790 ( 1612 PWs) bands (ev): -9.6371 -9.6371 -9.4144 -9.4144 -5.0679 -5.0679 -4.7737 -4.7737 -4.6037 -4.6037 -4.4129 -4.4129 -3.9461 -3.9461 1.5092 1.5092 2.7443 2.7443 4.8996 4.8996 5.0667 5.0667 5.1814 5.1814 6.4591 6.4591 7.3492 7.3492 7.9889 7.9889 8.6976 8.6976 9.0135 9.0135 9.6930 9.6930 12.6971 12.6971 14.6674 14.6674 16.8357 16.8357 17.2883 17.2883 k = 0.5477 0.1409-1.0712 ( 1612 PWs) bands (ev): -9.6357 -9.6357 -9.4164 -9.4164 -5.0678 -5.0678 -4.7736 -4.7736 -4.6037 -4.6037 -4.4130 -4.4130 -3.9457 -3.9457 1.5120 1.5120 2.7389 2.7389 4.8764 4.8764 5.0640 5.0640 5.2063 5.2063 6.4677 6.4677 7.3493 7.3493 7.9967 7.9967 8.6974 8.6974 9.0081 9.0081 9.6909 9.6909 12.6801 12.6801 14.6809 14.6809 16.7435 16.7435 17.3880 17.3880 k = 0.5637 0.1450-1.0635 ( 1614 PWs) bands (ev): -9.6337 -9.6337 -9.4193 -9.4193 -5.0677 -5.0677 -4.7736 -4.7736 -4.6037 -4.6037 -4.4131 -4.4131 -3.9452 -3.9452 1.5160 1.5160 2.7315 2.7315 4.8489 4.8489 5.0595 5.0595 5.2369 5.2369 6.4795 6.4795 7.3494 7.3494 8.0074 8.0074 8.6970 8.6970 9.0006 9.0006 9.6879 9.6879 12.6571 12.6571 14.6993 14.6993 16.6500 16.6500 17.4919 17.4919 k = 0.5796 0.1491-1.0557 ( 1618 PWs) bands (ev): -9.6312 -9.6312 -9.4230 -9.4230 -5.0676 -5.0676 -4.7736 -4.7736 -4.6036 -4.6036 -4.4132 -4.4132 -3.9445 -3.9445 1.5210 1.5210 2.7222 2.7222 4.8189 4.8189 5.0536 5.0536 5.2715 5.2715 6.4945 6.4945 7.3496 7.3496 8.0207 8.0207 8.6964 8.6964 8.9911 8.9911 9.6841 9.6841 12.6288 12.6288 14.7218 14.7218 16.5573 16.5573 17.5981 17.5981 k = 0.5955 0.1531-1.0480 ( 1614 PWs) bands (ev): -9.6281 -9.6281 -9.4274 -9.4274 -5.0674 -5.0674 -4.7735 -4.7735 -4.6035 -4.6035 -4.4133 -4.4133 -3.9437 -3.9437 1.5270 1.5270 2.7110 2.7110 4.7874 4.7874 5.0464 5.0464 5.3091 5.3091 6.5124 6.5124 7.3498 7.3498 8.0364 8.0364 8.6958 8.6958 8.9797 8.9797 9.6796 9.6796 12.5958 12.5958 14.7478 14.7478 16.4659 16.4659 17.7057 17.7057 k = 0.6114 0.1572-1.0402 ( 1614 PWs) bands (ev): -9.6246 -9.6246 -9.4326 -9.4326 -5.0673 -5.0673 -4.7734 -4.7734 -4.6035 -4.6035 -4.4134 -4.4134 -3.9427 -3.9427 1.5341 1.5341 2.6981 2.6981 4.7549 4.7549 5.0380 5.0380 5.3489 5.3489 6.5331 6.5331 7.3500 7.3500 8.0542 8.0542 8.6950 8.6950 8.9664 8.9664 9.6743 9.6743 12.5590 12.5590 14.7768 14.7768 16.3765 16.3765 17.8143 17.8143 k = 0.6273 0.1613-1.0325 ( 1616 PWs) bands (ev): -9.6205 -9.6205 -9.4385 -9.4385 -5.0672 -5.0672 -4.7732 -4.7732 -4.6034 -4.6034 -4.4135 -4.4135 -3.9417 -3.9417 1.5421 1.5421 2.6837 2.6837 4.7220 4.7220 5.0289 5.0289 5.3906 5.3906 6.5563 6.5563 7.3502 7.3502 8.0735 8.0735 8.6940 8.6940 8.9514 8.9514 9.6682 9.6682 12.5193 12.5193 14.8077 14.8077 16.2893 16.2893 17.9235 17.9235 k = 0.6432 0.1654-1.0247 ( 1616 PWs) bands (ev): -9.6160 -9.6160 -9.4451 -9.4451 -5.0669 -5.0669 -4.7730 -4.7730 -4.6034 -4.6034 -4.4136 -4.4136 -3.9406 -3.9406 1.5511 1.5511 2.6678 2.6678 4.6890 4.6890 5.0190 5.0190 5.4340 5.4340 6.5817 6.5817 7.3505 7.3505 8.0942 8.0942 8.6928 8.6928 8.9347 8.9347 9.6614 9.6614 12.4775 12.4775 14.8401 14.8401 16.2046 16.2046 18.0330 18.0330 k = 0.6592 0.1695-1.0170 ( 1620 PWs) bands (ev): -9.6111 -9.6111 -9.4522 -9.4522 -5.0668 -5.0668 -4.7730 -4.7730 -4.6034 -4.6034 -4.4139 -4.4139 -3.9394 -3.9394 1.5609 1.5609 2.6507 2.6507 4.6560 4.6560 5.0087 5.0087 5.4787 5.4787 6.6091 6.6091 7.3507 7.3507 8.1157 8.1157 8.6914 8.6914 8.9166 8.9166 9.6539 9.6539 12.4344 12.4344 14.8730 14.8730 16.1228 16.1228 18.1425 18.1425 k = 0.6592 0.1695-1.0170 ( 1620 PWs) bands (ev): -9.6111 -9.6111 -9.4522 -9.4522 -5.0668 -5.0668 -4.7730 -4.7730 -4.6034 -4.6034 -4.4139 -4.4139 -3.9394 -3.9394 1.5609 1.5609 2.6507 2.6507 4.6560 4.6560 5.0087 5.0087 5.4787 5.4787 6.6091 6.6091 7.3507 7.3507 8.1157 8.1157 8.6914 8.6914 8.9166 8.9166 9.6539 9.6539 12.4344 12.4344 14.8730 14.8730 16.1228 16.1228 18.1425 18.1425 k = 0.6565 0.1688-0.9984 ( 1617 PWs) bands (ev): -9.6117 -9.6117 -9.4586 -9.4586 -5.0664 -5.0664 -4.7729 -4.7729 -4.6042 -4.6042 -4.4146 -4.4146 -3.9443 -3.9443 1.5754 1.5754 2.6638 2.6638 4.6667 4.6667 5.0130 5.0130 5.4534 5.4534 6.6121 6.6121 7.3518 7.3518 8.1233 8.1233 8.6886 8.6886 8.9157 8.9157 9.6437 9.6437 12.4112 12.4112 14.8962 14.8962 16.1620 16.1620 18.1419 18.1419 k = 0.6538 0.1681-0.9799 ( 1614 PWs) bands (ev): -9.6158 -9.6158 -9.4633 -9.4633 -5.0659 -5.0659 -4.7730 -4.7730 -4.6051 -4.6051 -4.4155 -4.4155 -3.9505 -3.9505 1.5930 1.5930 2.6798 2.6798 4.6777 4.6777 5.0189 5.0189 5.4281 5.4281 6.6154 6.6154 7.3533 7.3533 8.1314 8.1314 8.6852 8.6852 8.9148 8.9148 9.6257 9.6257 12.3936 12.3936 14.9156 14.9156 16.2103 16.2103 18.1435 18.1435 k = 0.6511 0.1674-0.9613 ( 1616 PWs) bands (ev): -9.6237 -9.6237 -9.4663 -9.4663 -5.0653 -5.0653 -4.7731 -4.7731 -4.6064 -4.6064 -4.4168 -4.4168 -3.9579 -3.9579 1.6137 1.6137 2.6985 2.6985 4.6890 4.6890 5.0264 5.0264 5.4030 5.4030 6.6190 6.6190 7.3551 7.3551 8.1401 8.1401 8.6808 8.6808 8.9139 8.9139 9.6000 9.6000 12.3818 12.3818 14.9309 14.9309 16.2671 16.2671 18.1476 18.1476 k = 0.6484 0.1667-0.9428 ( 1612 PWs) bands (ev): -9.6351 -9.6351 -9.4675 -9.4675 -5.0647 -5.0647 -4.7732 -4.7732 -4.6078 -4.6078 -4.4182 -4.4182 -3.9664 -3.9664 1.6373 1.6373 2.7200 2.7200 4.7006 4.7006 5.0354 5.0354 5.3782 5.3782 6.6228 6.6228 7.3573 7.3573 8.1493 8.1493 8.6757 8.6757 8.9130 8.9130 9.5670 9.5670 12.3758 12.3758 14.9424 14.9424 16.3317 16.3317 18.1544 18.1544 k = 0.6457 0.1661-0.9242 ( 1610 PWs) bands (ev): -9.6499 -9.6499 -9.4672 -9.4672 -5.0640 -5.0640 -4.7734 -4.7734 -4.6094 -4.6094 -4.4198 -4.4198 -3.9760 -3.9760 1.6637 1.6637 2.7442 2.7442 4.7125 4.7125 5.0460 5.0460 5.3537 5.3537 6.6270 6.6270 7.3598 7.3598 8.1590 8.1590 8.6699 8.6699 8.9122 8.9122 9.5272 9.5272 12.3752 12.3752 14.9501 14.9501 16.4032 16.4032 18.1645 18.1645 k = 0.6430 0.1654-0.9057 ( 1608 PWs) bands (ev): -9.6675 -9.6675 -9.4658 -9.4658 -5.0633 -5.0633 -4.7738 -4.7738 -4.6112 -4.6112 -4.4216 -4.4216 -3.9866 -3.9866 1.6930 1.6930 2.7708 2.7708 4.7248 4.7248 5.0580 5.0580 5.3297 5.3297 6.6315 6.6315 7.3625 7.3625 8.1692 8.1692 8.6633 8.6633 8.9114 8.9114 9.4811 9.4811 12.3798 12.3798 14.9544 14.9544 16.4804 16.4804 18.1783 18.1783 k = 0.6403 0.1647-0.8871 ( 1608 PWs) bands (ev): -9.6877 -9.6877 -9.4636 -9.4636 -5.0625 -5.0625 -4.7742 -4.7742 -4.6131 -4.6131 -4.4237 -4.4237 -3.9982 -3.9982 1.7250 1.7250 2.7999 2.7999 4.7374 4.7374 5.0714 5.0714 5.3061 5.3061 6.6362 6.6362 7.3654 7.3654 8.1798 8.1798 8.6559 8.6559 8.9105 8.9105 9.4296 9.4296 12.3891 12.3891 14.9555 14.9555 16.5620 16.5620 18.1966 18.1966 k = 0.6376 0.1640-0.8686 ( 1606 PWs) bands (ev): -9.7100 -9.7100 -9.4607 -9.4607 -5.0617 -5.0617 -4.7748 -4.7748 -4.6151 -4.6151 -4.4259 -4.4259 -4.0108 -4.0108 1.7596 1.7596 2.8313 2.8313 4.7504 4.7504 5.0863 5.0863 5.2831 5.2831 6.6412 6.6412 7.3686 7.3686 8.1906 8.1906 8.6478 8.6478 8.9096 8.9096 9.3733 9.3733 12.4025 12.4025 14.9535 14.9535 16.6468 16.6468 18.2201 18.2201 k = 0.6349 0.1633-0.8500 ( 1606 PWs) bands (ev): -9.7341 -9.7341 -9.4575 -9.4575 -5.0608 -5.0608 -4.7757 -4.7757 -4.6172 -4.6172 -4.4283 -4.4283 -4.0242 -4.0242 1.7966 1.7966 2.8649 2.8649 4.7639 4.7639 5.1025 5.1025 5.2608 5.2608 6.6465 6.6465 7.3718 7.3718 8.2018 8.2018 8.6390 8.6390 8.9087 8.9087 9.3130 9.3130 12.4196 12.4196 14.9485 14.9485 16.7332 16.7332 18.2498 18.2498 k = 0.6322 0.1626-0.8315 ( 1606 PWs) bands (ev): -9.7600 -9.7600 -9.4541 -9.4541 -5.0600 -5.0600 -4.7768 -4.7768 -4.6194 -4.6194 -4.4309 -4.4309 -4.0384 -4.0384 1.8359 1.8359 2.9006 2.9006 4.7780 4.7780 5.1200 5.1200 5.2393 5.2393 6.6521 6.6521 7.3752 7.3752 8.2131 8.2131 8.6295 8.6295 8.9078 8.9078 9.2496 9.2496 12.4398 12.4398 14.9408 14.9408 16.8197 16.8197 18.2869 18.2869 k = 0.6295 0.1619-0.8129 ( 1606 PWs) bands (ev): -9.7873 -9.7873 -9.4505 -9.4505 -5.0592 -5.0592 -4.7782 -4.7782 -4.6216 -4.6216 -4.4337 -4.4337 -4.0533 -4.0533 1.8772 1.8772 2.9383 2.9383 4.7928 4.7928 5.1385 5.1385 5.2189 5.2189 6.6580 6.6580 7.3786 7.3786 8.2246 8.2246 8.6194 8.6194 8.9066 8.9066 9.1838 9.1838 12.4626 12.4626 14.9302 14.9302 16.9046 16.9046 18.3325 18.3325 k = 0.6268 0.1612-0.7944 ( 1606 PWs) bands (ev): -9.8159 -9.8159 -9.4469 -9.4469 -5.0585 -5.0585 -4.7799 -4.7799 -4.6237 -4.6237 -4.4365 -4.4365 -4.0689 -4.0689 1.9204 1.9204 2.9778 2.9778 4.8082 4.8082 5.1571 5.1571 5.2005 5.2005 6.6641 6.6641 7.3819 7.3819 8.2360 8.2360 8.6086 8.6086 8.9051 8.9051 9.1168 9.1168 12.4876 12.4876 14.9168 14.9168 16.9865 16.9865 18.3878 18.3878 k = 0.6241 0.1605-0.7758 ( 1607 PWs) bands (ev): -9.8457 -9.8457 -9.4433 -9.4433 -5.0577 -5.0577 -4.7820 -4.7820 -4.6258 -4.6258 -4.4395 -4.4395 -4.0850 -4.0850 1.9653 1.9653 3.0190 3.0190 4.8244 4.8244 5.1679 5.1679 5.1922 5.1922 6.6705 6.6705 7.3850 7.3850 8.2474 8.2474 8.5973 8.5973 8.9026 8.9026 9.0498 9.0498 12.5143 12.5143 14.9004 14.9004 17.0639 17.0639 18.4539 18.4539 k = 0.6214 0.1598-0.7573 ( 1603 PWs) bands (ev): -9.8766 -9.8766 -9.4396 -9.4396 -5.0570 -5.0570 -4.7845 -4.7845 -4.6278 -4.6278 -4.4426 -4.4426 -4.1016 -4.1016 2.0114 2.0114 3.0619 3.0619 4.8414 4.8414 5.1568 5.1568 5.2081 5.2081 6.6772 6.6772 7.3880 7.3880 8.2585 8.2585 8.5853 8.5853 8.8969 8.8969 8.9858 8.9858 12.5423 12.5423 14.8810 14.8810 17.1357 17.1357 18.5314 18.5314 k = 0.6187 0.1591-0.7387 ( 1601 PWs) bands (ev): -9.9083 -9.9083 -9.4360 -9.4360 -5.0564 -5.0564 -4.7875 -4.7875 -4.6296 -4.6296 -4.4459 -4.4459 -4.1187 -4.1187 2.0587 2.0587 3.1063 3.1063 4.8591 4.8591 5.1416 5.1416 5.2307 5.2307 6.6840 6.6840 7.3905 7.3905 8.2690 8.2690 8.5729 8.5729 8.8766 8.8766 8.9371 8.9371 12.5713 12.5713 14.8584 14.8584 17.2013 17.2013 18.6205 18.6205 k = 0.6160 0.1584-0.7202 ( 1599 PWs) bands (ev): -9.9409 -9.9409 -9.4325 -9.4325 -5.0558 -5.0558 -4.7909 -4.7909 -4.6313 -4.6313 -4.4492 -4.4492 -4.1360 -4.1360 2.1067 2.1067 3.1522 3.1522 4.8774 4.8774 5.1272 5.1272 5.2552 5.2552 6.6912 6.6912 7.3926 7.3926 8.2786 8.2786 8.5599 8.5599 8.8269 8.8269 8.9193 8.9193 12.6009 12.6009 14.8324 14.8324 17.2603 17.2603 18.7207 18.7207 k = 0.6133 0.1577-0.7016 ( 1595 PWs) bands (ev): -9.9742 -9.9742 -9.4290 -9.4290 -5.0554 -5.0554 -4.7947 -4.7947 -4.6329 -4.6329 -4.4525 -4.4525 -4.1536 -4.1536 2.1551 2.1551 3.1996 3.1996 4.8961 4.8961 5.1148 5.1148 5.2810 5.2810 6.6985 6.6985 7.3940 7.3940 8.2867 8.2867 8.5464 8.5464 8.7670 8.7670 8.9143 8.9143 12.6309 12.6309 14.8028 14.8028 17.3130 17.3130 18.8307 18.8307 k = 0.6106 0.1570-0.6831 ( 1602 PWs) bands (ev): -10.0081 -10.0081 -9.4256 -9.4256 -5.0551 -5.0551 -4.7992 -4.7992 -4.6343 -4.6343 -4.4560 -4.4560 -4.1715 -4.1715 2.2035 2.2035 3.2483 3.2483 4.9144 4.9144 5.1053 5.1053 5.3078 5.3078 6.7060 6.7060 7.3945 7.3945 8.2924 8.2924 8.5326 8.5326 8.7079 8.7079 8.9121 8.9121 12.6610 12.6610 14.7695 14.7695 17.3599 17.3599 18.9475 18.9475 k = 0.6079 0.1563-0.6645 ( 1600 PWs) bands (ev): -10.0424 -10.0424 -9.4223 -9.4223 -5.0548 -5.0548 -4.8040 -4.8040 -4.6355 -4.6355 -4.4595 -4.4595 -4.1894 -4.1894 2.2516 2.2516 3.2984 3.2984 4.9312 4.9312 5.1001 5.1001 5.3356 5.3356 6.7138 6.7138 7.3941 7.3941 8.2947 8.2947 8.5187 8.5187 8.6533 8.6533 8.9108 8.9108 12.6911 12.6911 14.7324 14.7324 17.4015 17.4015 19.0652 19.0652 k = 0.6052 0.1556-0.6460 ( 1598 PWs) bands (ev): -10.0772 -10.0772 -9.4190 -9.4190 -5.0547 -5.0547 -4.8094 -4.8094 -4.6366 -4.6366 -4.4631 -4.4631 -4.2073 -4.2073 2.2991 2.2991 3.3498 3.3498 4.9450 4.9450 5.1009 5.1009 5.3643 5.3643 6.7217 6.7217 7.3925 7.3925 8.2915 8.2915 8.5051 8.5051 8.6054 8.6054 8.9100 8.9100 12.7209 12.7209 14.6913 14.6913 17.4385 17.4385 19.1697 19.1697 k = 0.6025 0.1550-0.6274 ( 1599 PWs) bands (ev): -10.1123 -10.1123 -9.4158 -9.4158 -5.0547 -5.0547 -4.8152 -4.8152 -4.6376 -4.6376 -4.4666 -4.4666 -4.2251 -4.2251 2.3454 2.3454 3.4024 3.4024 4.9542 4.9542 5.1095 5.1095 5.3937 5.3937 6.7299 6.7299 7.3893 7.3893 8.2809 8.2809 8.4927 8.4927 8.5660 8.5660 8.9095 8.9095 12.7504 12.7504 14.6461 14.6461 17.4712 17.4712 19.2302 19.2302 k = 0.5998 0.1543-0.6088 ( 1602 PWs) bands (ev): -10.1476 -10.1476 -9.4127 -9.4127 -5.0549 -5.0549 -4.8216 -4.8216 -4.6385 -4.6385 -4.4702 -4.4702 -4.2428 -4.2428 2.3904 2.3904 3.4562 3.4562 4.9585 4.9585 5.1265 5.1265 5.4238 5.4238 6.7382 6.7382 7.3845 7.3845 8.2618 8.2618 8.4823 8.4823 8.5361 8.5361 8.9090 8.9090 12.7794 12.7794 14.5968 14.5968 17.4999 17.4999 19.2264 19.2264 k = 0.5971 0.1536-0.5903 ( 1602 PWs) bands (ev): -10.1830 -10.1830 -9.4097 -9.4097 -5.0553 -5.0553 -4.8283 -4.8283 -4.6393 -4.6393 -4.4737 -4.4737 -4.2602 -4.2602 2.4335 2.4335 3.5112 3.5112 4.9588 4.9588 5.1510 5.1510 5.4546 5.4546 6.7466 6.7466 7.3776 7.3776 8.2350 8.2350 8.4729 8.4729 8.5165 8.5165 8.9086 8.9086 12.8077 12.8077 14.5433 14.5433 17.5244 17.5244 19.1831 19.1831 k = 0.5944 0.1529-0.5717 ( 1609 PWs) bands (ev): -10.2184 -10.2184 -9.4067 -9.4067 -5.0558 -5.0558 -4.8355 -4.8355 -4.6402 -4.6402 -4.4773 -4.4773 -4.2774 -4.2774 2.4746 2.4746 3.5671 3.5671 4.9569 4.9569 5.1814 5.1814 5.4859 5.4859 6.7552 6.7552 7.3685 7.3685 8.2031 8.2031 8.4614 8.4614 8.5076 8.5076 8.9082 8.9082 12.8354 12.8354 14.4858 14.4858 17.5443 17.5443 19.1263 19.1263 k = 0.5917 0.1522-0.5532 ( 1604 PWs) bands (ev): -10.2538 -10.2538 -9.4039 -9.4039 -5.0565 -5.0565 -4.8429 -4.8429 -4.6409 -4.6409 -4.4807 -4.4807 -4.2940 -4.2940 2.5134 2.5134 3.6237 3.6237 4.9545 4.9545 5.2165 5.2165 5.5177 5.5177 6.7640 6.7640 7.3571 7.3571 8.1693 8.1693 8.4474 8.4474 8.5079 8.5079 8.9079 8.9079 12.8623 12.8623 14.4243 14.4243 17.5587 17.5587 19.0677 19.0677 k = 0.5890 0.1515-0.5346 ( 1602 PWs) bands (ev): -10.2890 -10.2890 -9.4011 -9.4011 -5.0573 -5.0573 -4.8506 -4.8506 -4.6418 -4.6418 -4.4840 -4.4840 -4.3102 -4.3102 2.5496 2.5496 3.6808 3.6808 4.9525 4.9525 5.2553 5.2553 5.5499 5.5499 6.7728 6.7728 7.3430 7.3430 8.1359 8.1359 8.4322 8.4322 8.5135 8.5135 8.9076 8.9076 12.8884 12.8884 14.3589 14.3589 17.5665 17.5665 19.0130 19.0130 k = 0.5863 0.1508-0.5161 ( 1600 PWs) bands (ev): -10.3241 -10.3241 -9.3983 -9.3983 -5.0582 -5.0582 -4.8586 -4.8586 -4.6427 -4.6427 -4.4873 -4.4873 -4.3259 -4.3259 2.5832 2.5832 3.7380 3.7380 4.9519 4.9519 5.2971 5.2971 5.5824 5.5824 6.7818 6.7818 7.3263 7.3263 8.1045 8.1045 8.4167 8.4167 8.5221 8.5221 8.9074 8.9074 12.9136 12.9136 14.2897 14.2897 17.5662 17.5662 18.9659 18.9659 k = 0.5836 0.1501-0.4975 ( 1603 PWs) bands (ev): -10.3588 -10.3588 -9.3957 -9.3957 -5.0595 -5.0595 -4.8669 -4.8669 -4.6438 -4.6438 -4.4905 -4.4905 -4.3411 -4.3411 2.6140 2.6140 3.7947 3.7947 4.9535 4.9535 5.3415 5.3415 5.6151 5.6151 6.7909 6.7909 7.3069 7.3069 8.0760 8.0760 8.4015 8.4015 8.5324 8.5324 8.9071 8.9071 12.9378 12.9378 14.2170 14.2170 17.5565 17.5565 18.9292 18.9292 k = 0.5809 0.1494-0.4790 ( 1603 PWs) bands (ev): -10.3931 -10.3931 -9.3932 -9.3932 -5.0608 -5.0608 -4.8753 -4.8753 -4.6451 -4.6451 -4.4936 -4.4936 -4.3556 -4.3556 2.6420 2.6420 3.8502 3.8502 4.9580 4.9580 5.3881 5.3881 5.6480 5.6480 6.8000 6.8000 7.2852 7.2852 8.0509 8.0509 8.3864 8.3864 8.5439 8.5439 8.9069 8.9069 12.9612 12.9612 14.1410 14.1410 17.5361 17.5361 18.9050 18.9050 k = 0.5782 0.1487-0.4604 ( 1603 PWs) bands (ev): -10.4270 -10.4270 -9.3907 -9.3907 -5.0624 -5.0624 -4.8839 -4.8839 -4.6466 -4.6466 -4.4965 -4.4965 -4.3694 -4.3694 2.6672 2.6672 3.9039 3.9039 4.9663 4.9663 5.4365 5.4365 5.6810 5.6810 6.8093 6.8093 7.2613 7.2613 8.0294 8.0294 8.3716 8.3716 8.5561 8.5561 8.9066 8.9066 12.9836 12.9836 14.0620 14.0620 17.5043 17.5043 18.8944 18.8944 k = 0.5755 0.1480-0.4419 ( 1601 PWs) bands (ev): -10.4603 -10.4603 -9.3883 -9.3883 -5.0642 -5.0642 -4.8925 -4.8925 -4.6484 -4.6484 -4.4992 -4.4992 -4.3824 -4.3824 2.6898 2.6898 3.9548 3.9548 4.9790 4.9790 5.4864 5.4864 5.7139 5.7139 6.8185 6.8185 7.2357 7.2357 8.0114 8.0114 8.3573 8.3573 8.5688 8.5688 8.9065 8.9065 13.0051 13.0051 13.9803 13.9803 17.4612 17.4612 18.8980 18.8980 k = 0.5728 0.1473-0.4233 ( 1602 PWs) bands (ev): -10.4931 -10.4931 -9.3861 -9.3861 -5.0662 -5.0662 -4.9012 -4.9012 -4.6505 -4.6505 -4.5017 -4.5017 -4.3946 -4.3946 2.7098 2.7098 4.0022 4.0022 4.9970 4.9970 5.5375 5.5375 5.7466 5.7466 6.8278 6.8278 7.2089 7.2089 7.9966 7.9966 8.3431 8.3431 8.5818 8.5818 8.9062 8.9062 13.0256 13.0256 13.8961 13.8961 17.4076 17.4076 18.9153 18.9153 k = 0.5701 0.1466-0.4048 ( 1604 PWs) bands (ev): -10.5252 -10.5252 -9.3839 -9.3839 -5.0684 -5.0684 -4.9099 -4.9099 -4.6530 -4.6530 -4.5041 -4.5041 -4.4061 -4.4061 2.7274 2.7274 4.0452 4.0452 5.0208 5.0208 5.5894 5.5894 5.7792 5.7792 6.8371 6.8371 7.1813 7.1813 7.9847 7.9847 8.3294 8.3294 8.5950 8.5950 8.9060 8.9060 13.0451 13.0451 13.8097 13.8097 17.3448 17.3448 18.9452 18.9452 k = 0.5674 0.1459-0.3862 ( 1606 PWs) bands (ev): -10.5566 -10.5566 -9.3818 -9.3818 -5.0708 -5.0708 -4.9185 -4.9185 -4.6558 -4.6558 -4.5063 -4.5063 -4.4167 -4.4167 2.7428 2.7428 4.0831 4.0831 5.0510 5.0510 5.6418 5.6418 5.8115 5.8115 6.8464 6.8464 7.1534 7.1534 7.9755 7.9755 8.3160 8.3160 8.6083 8.6083 8.9058 8.9058 13.0637 13.0637 13.7216 13.7216 17.2743 17.2743 18.9863 18.9863 k = 0.5647 0.1452-0.3677 ( 1606 PWs) bands (ev): -10.5872 -10.5872 -9.3798 -9.3798 -5.0734 -5.0734 -4.9270 -4.9270 -4.6589 -4.6589 -4.5082 -4.5082 -4.4265 -4.4265 2.7560 2.7560 4.1155 4.1155 5.0877 5.0877 5.6943 5.6943 5.8434 5.8434 6.8557 6.8557 7.1258 7.1258 7.9684 7.9684 8.3032 8.3032 8.6217 8.6217 8.9056 8.9056 13.0812 13.0812 13.6321 13.6321 17.1977 17.1977 19.0373 19.0373 k = 0.5620 0.1445-0.3491 ( 1608 PWs) bands (ev): -10.6170 -10.6170 -9.3778 -9.3778 -5.0762 -5.0762 -4.9353 -4.9353 -4.6624 -4.6624 -4.5099 -4.5099 -4.4355 -4.4355 2.7673 2.7673 4.1421 4.1421 5.1310 5.1310 5.7465 5.7465 5.8748 5.8748 6.8649 6.8649 7.0990 7.0990 7.9631 7.9631 8.2908 8.2908 8.6350 8.6350 8.9055 8.9055 13.0978 13.0978 13.5415 13.5415 17.1166 17.1166 19.0966 19.0966 k = 0.5593 0.1439-0.3306 ( 1610 PWs) bands (ev): -10.6459 -10.6459 -9.3760 -9.3760 -5.0793 -5.0793 -4.9434 -4.9434 -4.6662 -4.6662 -4.5114 -4.5114 -4.4437 -4.4437 2.7769 2.7769 4.1632 4.1632 5.1804 5.1804 5.7980 5.7980 5.9057 5.9057 6.8741 6.8741 7.0733 7.0733 7.9593 7.9593 8.2789 8.2789 8.6482 8.6482 8.9053 8.9053 13.1132 13.1132 13.4502 13.4502 17.0324 17.0324 19.1629 19.1629 k = 0.5566 0.1432-0.3120 ( 1606 PWs) bands (ev): -10.6738 -10.6738 -9.3742 -9.3742 -5.0824 -5.0824 -4.9512 -4.9512 -4.6702 -4.6702 -4.5126 -4.5126 -4.4511 -4.4511 2.7849 2.7849 4.1791 4.1791 5.2353 5.2353 5.8483 5.8483 5.9360 5.9360 6.8831 6.8831 7.0493 7.0493 7.9567 7.9567 8.2677 8.2677 8.6614 8.6614 8.9053 8.9053 13.1275 13.1275 13.3589 13.3589 16.9461 16.9461 19.2350 19.2350 k = 0.5539 0.1425-0.2935 ( 1605 PWs) bands (ev): -10.7008 -10.7008 -9.3726 -9.3726 -5.0858 -5.0858 -4.9588 -4.9588 -4.6744 -4.6744 -4.5137 -4.5137 -4.4578 -4.4578 2.7916 2.7916 4.1904 4.1904 5.2949 5.2949 5.8971 5.8971 5.9658 5.9658 6.8920 6.8920 7.0272 7.0272 7.9550 7.9550 8.2570 8.2570 8.6743 8.6743 8.9053 8.9053 13.1397 13.1397 13.2686 13.2686 16.8590 16.8590 19.3119 19.3119 k = 0.5513 0.1418-0.2749 ( 1608 PWs) bands (ev): -10.7267 -10.7267 -9.3710 -9.3710 -5.0893 -5.0893 -4.9660 -4.9660 -4.6789 -4.6789 -4.5145 -4.5145 -4.4639 -4.4639 2.7970 2.7970 4.1977 4.1977 5.3583 5.3583 5.9436 5.9436 5.9951 5.9951 6.9006 6.9006 7.0075 7.0075 7.9539 7.9539 8.2470 8.2470 8.6870 8.6870 8.9054 8.9054 13.1414 13.1414 13.1884 13.1884 16.7717 16.7717 19.3926 19.3926 k = 0.5486 0.1411-0.2564 ( 1601 PWs) bands (ev): -10.7516 -10.7516 -9.3695 -9.3695 -5.0930 -5.0930 -4.9728 -4.9728 -4.6834 -4.6834 -4.5152 -4.5152 -4.4692 -4.4692 2.8014 2.8014 4.2015 4.2015 5.4245 5.4245 5.9870 5.9870 6.0242 6.0242 6.9090 6.9090 6.9904 6.9904 7.9534 7.9534 8.2377 8.2377 8.6996 8.6996 8.9056 8.9056 13.0768 13.0768 13.1743 13.1743 16.6852 16.6852 19.4762 19.4762 k = 0.5459 0.1404-0.2378 ( 1595 PWs) bands (ev): -10.7753 -10.7753 -9.3681 -9.3681 -5.0967 -5.0967 -4.9792 -4.9792 -4.6879 -4.6879 -4.5156 -4.5156 -4.4740 -4.4740 2.8048 2.8048 4.2027 4.2027 5.4926 5.4926 6.0261 6.0261 6.0541 6.0541 6.9169 6.9169 6.9765 6.9765 7.9532 7.9532 8.2292 8.2292 8.7118 8.7118 8.9059 8.9059 12.9897 12.9897 13.1830 13.1830 16.6000 16.6000 19.5619 19.5619 k = 0.5432 0.1397-0.2193 ( 1599 PWs) bands (ev): -10.7979 -10.7979 -9.3668 -9.3668 -5.1006 -5.1006 -4.9853 -4.9853 -4.6926 -4.6926 -4.5160 -4.5160 -4.4783 -4.4783 2.8073 2.8073 4.2016 4.2016 5.5617 5.5617 6.0592 6.0592 6.0856 6.0856 6.9240 6.9240 6.9661 6.9661 7.9531 7.9531 8.2213 8.2213 8.7236 8.7236 8.9064 8.9064 12.9023 12.9023 13.1927 13.1927 16.5167 16.5167 19.6488 19.6488 k = 0.5405 0.1390-0.2007 ( 1603 PWs) bands (ev): -10.8192 -10.8192 -9.3655 -9.3655 -5.1046 -5.1046 -4.9911 -4.9911 -4.6972 -4.6972 -4.5163 -4.5163 -4.4822 -4.4822 2.8093 2.8093 4.1988 4.1988 5.6311 5.6311 6.0871 6.0871 6.1178 6.1178 6.9297 6.9297 6.9600 6.9600 7.9529 7.9529 8.2141 8.2141 8.7349 8.7349 8.9071 8.9071 12.8164 12.8164 13.2021 13.2021 16.4360 16.4360 19.7362 19.7362 k = 0.5378 0.1383-0.1822 ( 1604 PWs) bands (ev): -10.8394 -10.8394 -9.3644 -9.3644 -5.1086 -5.1086 -4.9963 -4.9963 -4.7017 -4.7017 -4.5165 -4.5165 -4.4855 -4.4855 2.8106 2.8106 4.1948 4.1948 5.6999 5.6999 6.1117 6.1117 6.1486 6.1486 6.9336 6.9336 6.9586 6.9586 7.9528 7.9528 8.2076 8.2076 8.7458 8.7458 8.9080 8.9080 12.7328 12.7328 13.2108 13.2108 16.3582 16.3582 19.8232 19.8232 k = 0.5351 0.1376-0.1636 ( 1605 PWs) bands (ev): -10.8583 -10.8583 -9.3634 -9.3634 -5.1125 -5.1125 -5.0012 -5.0012 -4.7061 -4.7061 -4.5167 -4.5167 -4.4884 -4.4884 2.8114 2.8114 4.1899 4.1899 5.7675 5.7675 6.1340 6.1340 6.1766 6.1766 6.9361 6.9361 6.9614 6.9614 7.9526 7.9526 8.2020 8.2020 8.7560 8.7560 8.9091 8.9091 12.6519 12.6519 13.2188 13.2188 16.2839 16.2839 19.9091 19.9091 k = 0.5324 0.1369-0.1451 ( 1605 PWs) bands (ev): -10.8759 -10.8759 -9.3624 -9.3624 -5.1163 -5.1163 -5.0056 -5.0056 -4.7102 -4.7102 -4.5168 -4.5168 -4.4909 -4.4909 2.8119 2.8119 4.1843 4.1843 5.8330 5.8330 6.1544 6.1544 6.2014 6.2014 6.9389 6.9389 6.9663 6.9663 7.9523 7.9523 8.1970 8.1970 8.7657 8.7657 8.9105 8.9105 12.5744 12.5744 13.2262 13.2262 16.2134 16.2134 19.9930 19.9930 k = 0.5297 0.1362-0.1265 ( 1605 PWs) bands (ev): -10.8922 -10.8922 -9.3615 -9.3615 -5.1200 -5.1200 -5.0097 -5.0097 -4.7141 -4.7141 -4.5169 -4.5169 -4.4931 -4.4931 2.8121 2.8121 4.1784 4.1784 5.8960 5.8960 6.1732 6.1732 6.2228 6.2228 6.9432 6.9432 6.9720 6.9720 7.9519 7.9519 8.1927 8.1927 8.7746 8.7746 8.9122 8.9122 12.5005 12.5005 13.2328 13.2328 16.1470 16.1470 20.0742 20.0742 k = 0.5270 0.1355-0.1080 ( 1605 PWs) bands (ev): -10.9071 -10.9071 -9.3607 -9.3607 -5.1236 -5.1236 -5.0133 -5.0133 -4.7178 -4.7178 -4.5170 -4.5170 -4.4949 -4.4949 2.8120 2.8120 4.1725 4.1725 5.9556 5.9556 6.1904 6.1904 6.2410 6.2410 6.9490 6.9490 6.9779 6.9779 7.9513 7.9513 8.1890 8.1890 8.7828 8.7828 8.9141 8.9141 12.4309 12.4309 13.2388 13.2388 16.0853 16.0853 20.1516 20.1516 k = 0.5243 0.1348-0.0894 ( 1605 PWs) bands (ev): -10.9207 -10.9207 -9.3600 -9.3600 -5.1270 -5.1270 -5.0166 -5.0166 -4.7211 -4.7211 -4.5171 -4.5171 -4.4964 -4.4964 2.8117 2.8117 4.1666 4.1666 6.0112 6.0112 6.2061 6.2061 6.2563 6.2563 6.9562 6.9562 6.9836 6.9836 7.9506 7.9506 8.1859 8.1859 8.7901 8.7901 8.9164 8.9164 12.3661 12.3661 13.2441 13.2441 16.0284 16.0284 20.2246 20.2246 k = 0.5216 0.1341-0.0709 ( 1605 PWs) bands (ev): -10.9330 -10.9330 -9.3593 -9.3593 -5.1301 -5.1301 -5.0195 -5.0195 -4.7242 -4.7242 -4.5173 -4.5173 -4.4976 -4.4976 2.8113 2.8113 4.1609 4.1609 6.0621 6.0621 6.2205 6.2205 6.2690 6.2690 6.9643 6.9643 6.9890 6.9890 7.9499 7.9499 8.1833 8.1833 8.7965 8.7965 8.9188 8.9188 12.3064 12.3064 13.2488 13.2488 15.9766 15.9766 20.2923 20.2923 k = 0.5189 0.1334-0.0523 ( 1609 PWs) bands (ev): -10.9438 -10.9438 -9.3588 -9.3588 -5.1330 -5.1330 -5.0221 -5.0221 -4.7270 -4.7270 -4.5175 -4.5175 -4.4987 -4.4987 2.8109 2.8109 4.1556 4.1556 6.1074 6.1074 6.2338 6.2338 6.2796 6.2796 6.9727 6.9727 6.9940 6.9940 7.9491 7.9491 8.1812 8.1812 8.8020 8.8020 8.9213 8.9213 12.2524 12.2524 13.2529 13.2529 15.9303 15.9303 20.3539 20.3539 k = 0.5162 0.1328-0.0338 ( 1607 PWs) bands (ev): -10.9532 -10.9532 -9.3583 -9.3583 -5.1355 -5.1355 -5.0242 -5.0242 -4.7294 -4.7294 -4.5176 -4.5176 -4.4994 -4.4994 2.8104 2.8104 4.1508 4.1508 6.1463 6.1463 6.2466 6.2466 6.2883 6.2883 6.9811 6.9811 6.9985 6.9985 7.9483 7.9483 8.1796 8.1796 8.8067 8.8067 8.9240 8.9240 12.2046 12.2046 13.2563 13.2563 15.8897 15.8897 20.4087 20.4087 k = 0.5135 0.1321-0.0152 ( 1603 PWs) bands (ev): -10.9612 -10.9612 -9.3579 -9.3579 -5.1376 -5.1376 -5.0260 -5.0260 -4.7314 -4.7314 -4.5177 -4.5177 -4.5000 -4.5000 2.8100 2.8100 4.1466 4.1466 6.1775 6.1775 6.2595 6.2595 6.2954 6.2954 6.9888 6.9888 7.0026 7.0026 7.9476 7.9476 8.1783 8.1783 8.8106 8.8106 8.9265 8.9265 12.1632 12.1632 13.2592 13.2592 15.8550 15.8550 20.4561 20.4561 k = 0.5108 0.1314 0.0033 ( 1603 PWs) bands (ev): -10.9677 -10.9677 -9.3575 -9.3575 -5.1394 -5.1394 -5.0275 -5.0275 -4.7331 -4.7331 -4.5179 -4.5179 -4.5004 -4.5004 2.8096 2.8096 4.1430 4.1430 6.2004 6.2004 6.2731 6.2731 6.3011 6.3011 6.9954 6.9954 7.0062 7.0062 7.9469 7.9469 8.1773 8.1773 8.8137 8.8137 8.9289 8.9289 12.1289 12.1289 13.2616 13.2616 15.8263 15.8263 20.4955 20.4955 k = 0.5081 0.1307 0.0219 ( 1603 PWs) bands (ev): -10.9728 -10.9728 -9.3573 -9.3573 -5.1409 -5.1409 -5.0287 -5.0287 -4.7345 -4.7345 -4.5180 -4.5180 -4.5007 -4.5007 2.8092 2.8092 4.1402 4.1402 6.2156 6.2156 6.2864 6.2864 6.3055 6.3055 7.0005 7.0005 7.0094 7.0094 7.9463 7.9463 8.1765 8.1765 8.8161 8.8161 8.9309 8.9309 12.1018 12.1018 13.2634 13.2634 15.8038 15.8038 20.5266 20.5266 k = 0.5054 0.1300 0.0404 ( 1602 PWs) bands (ev): -10.9765 -10.9765 -9.3571 -9.3571 -5.1419 -5.1419 -5.0295 -5.0295 -4.7354 -4.7354 -4.5181 -4.5181 -4.5009 -4.5009 2.8090 2.8090 4.1381 4.1381 6.2247 6.2247 6.2976 6.2976 6.3088 6.3088 7.0040 7.0040 7.0121 7.0121 7.9458 7.9458 8.1760 8.1760 8.8177 8.8177 8.9325 8.9325 12.0822 12.0822 13.2646 13.2646 15.7877 15.7877 20.5490 20.5490 k = 0.5027 0.1293 0.0590 ( 1604 PWs) bands (ev): -10.9787 -10.9787 -9.3570 -9.3570 -5.1426 -5.1426 -5.0300 -5.0300 -4.7360 -4.7360 -4.5181 -4.5181 -4.5010 -4.5010 2.8088 2.8088 4.1369 4.1369 6.2295 6.2295 6.3047 6.3047 6.3111 6.3111 7.0059 7.0059 7.0140 7.0140 7.9455 7.9455 8.1757 8.1757 8.8187 8.8187 8.9334 8.9334 12.0704 12.0704 13.2654 13.2654 15.7780 15.7780 20.5625 20.5625 k = 0.5000 0.1286 0.0775 ( 1596 PWs) bands (ev): -10.9794 -10.9794 -9.3569 -9.3569 -5.1427 -5.1427 -5.0301 -5.0301 -4.7361 -4.7361 -4.5181 -4.5181 -4.5010 -4.5010 2.8088 2.8088 4.1365 4.1365 6.2310 6.2310 6.3069 6.3069 6.3122 6.3122 7.0065 7.0065 7.0146 7.0146 7.9456 7.9456 8.1757 8.1757 8.8190 8.8190 8.9337 8.9337 12.0664 12.0664 13.2657 13.2657 15.7747 15.7747 20.5670 20.5670 k = 0.5000-0.9078-0.5472 ( 1632 PWs) bands (ev): -9.5403 -9.5403 -9.5239 -9.5239 -5.0656 -5.0656 -4.7700 -4.7700 -4.5993 -4.5993 -4.4129 -4.4129 -3.8874 -3.8874 1.6538 1.6538 2.2897 2.2897 4.2407 4.2407 4.8453 4.8453 6.3101 6.3101 7.0943 7.0943 7.3481 7.3481 8.2739 8.2739 8.5126 8.5126 8.7235 8.7235 9.5401 9.5401 12.0970 12.0970 15.0023 15.0023 15.1482 15.1482 19.5043 19.5043 k = 0.5168-0.9010-0.5432 ( 1632 PWs) bands (ev): -9.5411 -9.5411 -9.5232 -9.5232 -5.0656 -5.0656 -4.7700 -4.7700 -4.5993 -4.5993 -4.4129 -4.4129 -3.8876 -3.8876 1.6533 1.6533 2.2911 2.2911 4.2420 4.2420 4.8459 4.8459 6.3067 6.3067 7.0920 7.0920 7.3481 7.3481 8.2742 8.2742 8.5144 8.5144 8.7236 8.7236 9.5405 9.5405 12.0978 12.0978 15.0058 15.0058 15.1476 15.1476 19.4998 19.4998 k = 0.5335-0.8943-0.5391 ( 1630 PWs) bands (ev): -9.5430 -9.5430 -9.5212 -9.5212 -5.0656 -5.0656 -4.7700 -4.7700 -4.5994 -4.5994 -4.4129 -4.4129 -3.8882 -3.8882 1.6519 1.6519 2.2955 2.2955 4.2458 4.2458 4.8476 4.8476 6.2963 6.2963 7.0851 7.0851 7.3482 7.3482 8.2750 8.2750 8.5195 8.5195 8.7240 8.7240 9.5414 9.5414 12.1002 12.1002 15.0161 15.0161 15.1458 15.1458 19.4866 19.4866 k = 0.5503-0.8875-0.5350 ( 1621 PWs) bands (ev): -9.5456 -9.5456 -9.5185 -9.5185 -5.0655 -5.0655 -4.7700 -4.7700 -4.5994 -4.5994 -4.4128 -4.4128 -3.8892 -3.8892 1.6496 1.6496 2.3028 2.3028 4.2522 4.2522 4.8504 4.8504 6.2794 6.2794 7.0738 7.0738 7.3485 7.3485 8.2761 8.2761 8.5280 8.5280 8.7247 8.7247 9.5431 9.5431 12.1043 12.1043 15.0329 15.0329 15.1432 15.1432 19.4645 19.4645 k = 0.5670-0.8807-0.5309 ( 1621 PWs) bands (ev): -9.5486 -9.5486 -9.5154 -9.5154 -5.0655 -5.0655 -4.7701 -4.7701 -4.5995 -4.5995 -4.4129 -4.4129 -3.8907 -3.8907 1.6464 1.6464 2.3128 2.3128 4.2611 4.2611 4.8543 4.8543 6.2560 6.2560 7.0584 7.0584 7.3488 7.3488 8.2772 8.2772 8.5394 8.5394 8.7256 8.7256 9.5454 9.5454 12.1101 12.1101 15.0549 15.0549 15.1408 15.1408 19.4335 19.4335 k = 0.5838-0.8740-0.5268 ( 1622 PWs) bands (ev): -9.5519 -9.5519 -9.5121 -9.5121 -5.0656 -5.0656 -4.7702 -4.7702 -4.5996 -4.5996 -4.4129 -4.4129 -3.8925 -3.8925 1.6425 1.6425 2.3254 2.3254 4.2724 4.2724 4.8592 4.8592 6.2266 6.2266 7.0392 7.0392 7.3491 7.3491 8.2777 8.2777 8.5534 8.5534 8.7270 8.7270 9.5486 9.5486 12.1176 12.1176 15.0783 15.0783 15.1423 15.1423 19.3938 19.3938 k = 0.6005-0.8672-0.5228 ( 1622 PWs) bands (ev): -9.5553 -9.5553 -9.5085 -9.5085 -5.0656 -5.0656 -4.7703 -4.7703 -4.5998 -4.5998 -4.4130 -4.4130 -3.8947 -3.8947 1.6379 1.6379 2.3404 2.3404 4.2862 4.2862 4.8652 4.8652 6.1918 6.1918 7.0167 7.0167 7.3493 7.3493 8.2774 8.2774 8.5695 8.5695 8.7288 8.7288 9.5527 9.5527 12.1271 12.1271 15.0922 15.0922 15.1584 15.1584 19.3454 19.3454 k = 0.6173-0.8604-0.5187 ( 1624 PWs) bands (ev): -9.5589 -9.5589 -9.5048 -9.5048 -5.0657 -5.0657 -4.7705 -4.7705 -4.6000 -4.6000 -4.4130 -4.4130 -3.8973 -3.8973 1.6327 1.6327 2.3577 2.3577 4.3024 4.3024 4.8722 4.8722 6.1520 6.1520 6.9913 6.9913 7.3496 7.3496 8.2759 8.2759 8.5871 8.5871 8.7315 8.7315 9.5577 9.5577 12.1385 12.1385 15.0913 15.0913 15.1942 15.1942 19.2886 19.2886 k = 0.6340-0.8537-0.5146 ( 1624 PWs) bands (ev): -9.5627 -9.5627 -9.5010 -9.5010 -5.0658 -5.0658 -4.7707 -4.7707 -4.6002 -4.6002 -4.4131 -4.4131 -3.9002 -3.9002 1.6272 1.6272 2.3770 2.3770 4.3209 4.3209 4.8802 4.8802 6.1078 6.1078 6.9635 6.9635 7.3498 7.3498 8.2727 8.2727 8.6056 8.6056 8.7352 8.7352 9.5636 9.5636 12.1519 12.1519 15.0830 15.0830 15.2422 15.2422 19.2239 19.2239 k = 0.6508-0.8469-0.5105 ( 1616 PWs) bands (ev): -9.5665 -9.5665 -9.4970 -9.4970 -5.0658 -5.0658 -4.7708 -4.7708 -4.6003 -4.6003 -4.4131 -4.4131 -3.9032 -3.9032 1.6212 1.6212 2.3982 2.3982 4.3417 4.3417 4.8890 4.8890 6.0597 6.0597 6.9336 6.9336 7.3500 7.3500 8.2676 8.2676 8.6239 8.6239 8.7407 8.7407 9.5707 9.5707 12.1675 12.1675 15.0711 15.0711 15.2980 15.2980 19.1516 19.1516 k = 0.6675-0.8401-0.5064 ( 1619 PWs) bands (ev): -9.5704 -9.5704 -9.4929 -9.4929 -5.0659 -5.0659 -4.7710 -4.7710 -4.6006 -4.6006 -4.4131 -4.4131 -3.9066 -3.9066 1.6150 1.6150 2.4208 2.4208 4.3647 4.3647 4.8987 4.8987 6.0084 6.0084 6.9022 6.9022 7.3501 7.3501 8.2603 8.2603 8.6409 8.6409 8.7485 8.7485 9.5784 9.5784 12.1852 12.1852 15.0570 15.0570 15.3601 15.3601 19.0722 19.0722 k = 0.6843-0.8333-0.5024 ( 1625 PWs) bands (ev): -9.5746 -9.5746 -9.4887 -9.4887 -5.0661 -5.0661 -4.7712 -4.7712 -4.6009 -4.6009 -4.4133 -4.4133 -3.9102 -3.9102 1.6087 1.6087 2.4448 2.4448 4.3898 4.3898 4.9092 4.9092 5.9542 5.9542 6.8695 6.8695 7.3502 7.3502 8.2508 8.2508 8.6554 8.6554 8.7594 8.7594 9.5867 9.5867 12.2052 12.2052 15.0411 15.0411 15.4279 15.4279 18.9864 18.9864 k = 0.7010-0.8266-0.4983 ( 1629 PWs) bands (ev): -9.5788 -9.5788 -9.4844 -9.4844 -5.0662 -5.0662 -4.7715 -4.7715 -4.6012 -4.6012 -4.4133 -4.4133 -3.9139 -3.9139 1.6022 1.6022 2.4699 2.4699 4.4169 4.4169 4.9203 4.9203 5.8977 5.8977 6.8361 6.8361 7.3503 7.3503 8.2392 8.2392 8.6668 8.6668 8.7737 8.7737 9.5957 9.5957 12.2273 12.2273 15.0238 15.0238 15.5008 15.5008 18.8947 18.8947 k = 0.7178-0.8198-0.4942 ( 1627 PWs) bands (ev): -9.5831 -9.5831 -9.4800 -9.4800 -5.0662 -5.0662 -4.7717 -4.7717 -4.6015 -4.6015 -4.4134 -4.4134 -3.9176 -3.9176 1.5958 1.5958 2.4958 2.4958 4.4460 4.4460 4.9321 4.9321 5.8395 5.8395 6.8023 6.8023 7.3504 7.3504 8.2255 8.2255 8.6752 8.6752 8.7914 8.7914 9.6050 9.6050 12.2516 12.2516 15.0051 15.0051 15.5783 15.5783 18.7980 18.7980 k = 0.7345-0.8130-0.4901 ( 1624 PWs) bands (ev): -9.5875 -9.5875 -9.4756 -9.4756 -5.0663 -5.0663 -4.7719 -4.7719 -4.6018 -4.6018 -4.4134 -4.4134 -3.9214 -3.9214 1.5895 1.5895 2.5221 2.5221 4.4770 4.4770 4.9444 4.9444 5.7801 5.7801 6.7684 6.7684 7.3504 7.3504 8.2100 8.2100 8.6810 8.6810 8.8114 8.8114 9.6144 9.6144 12.2779 12.2779 14.9851 14.9851 15.6603 15.6603 18.6966 18.6966 k = 0.7513-0.8063-0.4860 ( 1622 PWs) bands (ev): -9.5920 -9.5920 -9.4710 -9.4710 -5.0664 -5.0664 -4.7721 -4.7721 -4.6020 -4.6020 -4.4135 -4.4135 -3.9252 -3.9252 1.5833 1.5833 2.5486 2.5486 4.5097 4.5097 4.9570 4.9570 5.7198 5.7198 6.7347 6.7347 7.3505 7.3505 8.1929 8.1929 8.6849 8.6849 8.8326 8.8326 9.6237 9.6237 12.3062 12.3062 14.9642 14.9642 15.7461 15.7461 18.5913 18.5913 k = 0.7680-0.7995-0.4820 ( 1620 PWs) bands (ev): -9.5966 -9.5966 -9.4664 -9.4664 -5.0665 -5.0665 -4.7723 -4.7723 -4.6024 -4.6024 -4.4136 -4.4136 -3.9289 -3.9289 1.5773 1.5773 2.5751 2.5751 4.5441 4.5441 4.9699 4.9699 5.6591 5.6591 6.7017 6.7017 7.3505 7.3505 8.1746 8.1746 8.6876 8.6876 8.8543 8.8543 9.6325 9.6325 12.3362 12.3362 14.9423 14.9423 15.8357 15.8357 18.4827 18.4827 k = 0.7848-0.7927-0.4779 ( 1621 PWs) bands (ev): -9.6014 -9.6014 -9.4617 -9.4617 -5.0666 -5.0666 -4.7726 -4.7726 -4.6027 -4.6027 -4.4136 -4.4136 -3.9326 -3.9326 1.5715 1.5715 2.6011 2.6011 4.5800 4.5800 4.9829 4.9829 5.5984 5.5984 6.6695 6.6695 7.3506 7.3506 8.1553 8.1553 8.6894 8.6894 8.8759 8.8759 9.6406 9.6406 12.3678 12.3678 14.9197 14.9197 15.9285 15.9285 18.3713 18.3713 k = 0.8016-0.7860-0.4738 ( 1619 PWs) bands (ev): -9.6062 -9.6062 -9.4570 -9.4570 -5.0667 -5.0667 -4.7727 -4.7727 -4.6030 -4.6030 -4.4137 -4.4137 -3.9360 -3.9360 1.5660 1.5660 2.6265 2.6265 4.6174 4.6174 4.9959 4.9959 5.5381 5.5381 6.6386 6.6386 7.3507 7.3507 8.1356 8.1356 8.6906 8.6906 8.8967 8.8967 9.6478 9.6478 12.4006 12.4006 14.8965 14.8965 16.0243 16.0243 18.2577 18.2577 k = 0.8183-0.7792-0.4697 ( 1620 PWs) bands (ev): -9.6111 -9.6111 -9.4522 -9.4522 -5.0668 -5.0668 -4.7730 -4.7730 -4.6034 -4.6034 -4.4139 -4.4139 -3.9394 -3.9394 1.5609 1.5609 2.6507 2.6507 4.6560 4.6560 5.0087 5.0087 5.4787 5.4787 6.6091 6.6091 7.3507 7.3507 8.1157 8.1157 8.6914 8.6914 8.9166 8.9166 9.6539 9.6539 12.4344 12.4344 14.8730 14.8730 16.1228 16.1228 18.1425 18.1425 Writing output data file GaCuO2.save init_run : 0.47s CPU 0.66s WALL ( 1 calls) electrons : 135.70s CPU 137.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 135.69s CPU 137.98s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 400 calls) cegterg : 122.23s CPU 123.68s WALL ( 498 calls) Called by sum_band: Called by *egterg: h_psi : 87.54s CPU 88.56s WALL ( 8356 calls) s_psi : 3.33s CPU 3.39s WALL ( 8356 calls) g_psi : 0.07s CPU 0.08s WALL ( 7458 calls) cdiaghg : 36.31s CPU 37.00s WALL ( 7858 calls) cegterg:over : 2.56s CPU 2.52s WALL ( 7458 calls) cegterg:upda : 1.56s CPU 1.60s WALL ( 7458 calls) cegterg:last : 1.11s CPU 1.08s WALL ( 1292 calls) cdiaghg:chol : 1.78s CPU 1.93s WALL ( 7858 calls) cdiaghg:inve : 0.98s CPU 1.02s WALL ( 7858 calls) cdiaghg:para : 2.25s CPU 2.21s WALL ( 15716 calls) Called by h_psi: h_psi:vloc : 82.68s CPU 83.64s WALL ( 8356 calls) h_psi:vnl : 4.80s CPU 4.86s WALL ( 8356 calls) add_vuspsi : 2.47s CPU 2.52s WALL ( 8356 calls) General routines calbec : 2.31s CPU 2.32s WALL ( 8356 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 76.94s CPU 77.87s WALL ( 678632 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.24s WALL ( 800 calls) Parallel routines fft_scatter : 18.92s CPU 19.13s WALL ( 678655 calls) PWSCF : 2m28.87s CPU 3m 1.87s WALL This run was terminated on: 17:56: 0 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=