Program PWSCF v.5.1.1 starts on 1Jun2015 at 0:30:52 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./ZrCl.save/ file Zr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 48 33 10 938 523 87 Max 49 34 11 941 539 90 Sum 2315 1585 481 45051 25477 4263 bravais-lattice index = 14 lattice parameter (alat) = 17.1763 a.u. unit-cell volume = 608.2423 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 268.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 17.176347 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.929001 celldm(5)= 0.929001 celldm(6)= 0.929001 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.929001 0.370077 0.000000 ) a(3) = ( 0.929001 0.178228 0.324333 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.510287 -1.484883 ) b(2) = ( 0.000000 2.702137 -1.484883 ) b(3) = ( 0.000000 0.000000 3.083248 ) PseudoPot. # 1 for Zr read from file: /home/autes/Pseudo/Zr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8b6e13b1b49db219b5566974d4b37ab4 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cl read from file: /home/autes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 Zr 12.00 91.22400 Zr( 1.00) Cl 7.00 35.45300 Cl( 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: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 337 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0092593 -0.0232434 -0.0137489), wk = 0.0029674 k( 3) = ( 0.0185185 -0.0464868 -0.0274978), wk = 0.0029674 k( 4) = ( 0.0277778 -0.0697302 -0.0412468), wk = 0.0029674 k( 5) = ( 0.0370370 -0.0929736 -0.0549957), wk = 0.0029674 k( 6) = ( 0.0462963 -0.1162170 -0.0687446), wk = 0.0029674 k( 7) = ( 0.0555556 -0.1394604 -0.0824935), wk = 0.0029674 k( 8) = ( 0.0648148 -0.1627038 -0.0962424), wk = 0.0029674 k( 9) = ( 0.0740741 -0.1859472 -0.1099913), wk = 0.0029674 k( 10) = ( 0.0833333 -0.2091906 -0.1237402), wk = 0.0029674 k( 11) = ( 0.0925926 -0.2324340 -0.1374892), wk = 0.0029674 k( 12) = ( 0.1018518 -0.2556774 -0.1512381), wk = 0.0029674 k( 13) = ( 0.1111111 -0.2789208 -0.1649870), wk = 0.0029674 k( 14) = ( 0.1203704 -0.3021642 -0.1787359), wk = 0.0029674 k( 15) = ( 0.1296296 -0.3254076 -0.1924848), wk = 0.0029674 k( 16) = ( 0.1388889 -0.3486510 -0.2062337), wk = 0.0029674 k( 17) = ( 0.1481482 -0.3718944 -0.2199827), wk = 0.0029674 k( 18) = ( 0.1574074 -0.3951378 -0.2337316), wk = 0.0029674 k( 19) = ( 0.1666667 -0.4183812 -0.2474805), wk = 0.0029674 k( 20) = ( 0.1759259 -0.4416246 -0.2612294), wk = 0.0029674 k( 21) = ( 0.1851852 -0.4648681 -0.2749783), wk = 0.0029674 k( 22) = ( 0.1944444 -0.4881114 -0.2887272), wk = 0.0029674 k( 23) = ( 0.2037037 -0.5113548 -0.3024761), wk = 0.0029674 k( 24) = ( 0.2129630 -0.5345982 -0.3162251), wk = 0.0029674 k( 25) = ( 0.2222222 -0.5578416 -0.3299740), wk = 0.0029674 k( 26) = ( 0.2314815 -0.5810850 -0.3437229), wk = 0.0029674 k( 27) = ( 0.2407407 -0.6043285 -0.3574718), wk = 0.0029674 k( 28) = ( 0.2500000 -0.6275719 -0.3712207), wk = 0.0029674 k( 29) = ( 0.2592593 -0.6508153 -0.3849696), wk = 0.0029674 k( 30) = ( 0.2685185 -0.6740587 -0.3987186), wk = 0.0029674 k( 31) = ( 0.2777778 -0.6973021 -0.4124675), wk = 0.0029674 k( 32) = ( 0.2870370 -0.7205455 -0.4262164), wk = 0.0029674 k( 33) = ( 0.2962963 -0.7437889 -0.4399653), wk = 0.0029674 k( 34) = ( 0.3055556 -0.7670323 -0.4537142), wk = 0.0029674 k( 35) = ( 0.3148148 -0.7902757 -0.4674631), wk = 0.0029674 k( 36) = ( 0.3240741 -0.8135191 -0.4812120), wk = 0.0029674 k( 37) = ( 0.3333333 -0.8367625 -0.4949610), wk = 0.0029674 k( 38) = ( 0.3425926 -0.8600059 -0.5087099), wk = 0.0029674 k( 39) = ( 0.3518519 -0.8832493 -0.5224588), wk = 0.0029674 k( 40) = ( 0.3611111 -0.9064927 -0.5362077), wk = 0.0029674 k( 41) = ( 0.3703704 -0.9297361 -0.5499566), wk = 0.0029674 k( 42) = ( 0.3796296 -0.9529795 -0.5637055), wk = 0.0029674 k( 43) = ( 0.3888889 -0.9762229 -0.5774545), wk = 0.0029674 k( 44) = ( 0.3981481 -0.9994663 -0.5912034), wk = 0.0029674 k( 45) = ( 0.4074074 -1.0227097 -0.6049523), wk = 0.0029674 k( 46) = ( 0.4166667 -1.0459531 -0.6187012), wk = 0.0029674 k( 47) = ( 0.4259259 -1.0691965 -0.6324501), wk = 0.0029674 k( 48) = ( 0.4351852 -1.0924399 -0.6461990), wk = 0.0029674 k( 49) = ( 0.4444444 -1.1156833 -0.6599479), wk = 0.0029674 k( 50) = ( 0.4537037 -1.1389267 -0.6736969), wk = 0.0029674 k( 51) = ( 0.4629630 -1.1621701 -0.6874458), wk = 0.0029674 k( 52) = ( 0.4722222 -1.1854135 -0.7011947), wk = 0.0029674 k( 53) = ( 0.4814815 -1.2086569 -0.7149436), wk = 0.0029674 k( 54) = ( 0.4907407 -1.2319003 -0.7286925), wk = 0.0029674 k( 55) = ( 0.5000000 -1.2551437 -0.7424414), wk = 0.0029674 k( 56) = ( 0.5000000 -1.2551437 -0.7424414), wk = 0.0029674 k( 57) = ( 0.5000000 -1.2408185 -0.7666591), wk = 0.0029674 k( 58) = ( 0.5000000 -1.2264933 -0.7908767), wk = 0.0029674 k( 59) = ( 0.5000000 -1.2121681 -0.8150944), wk = 0.0029674 k( 60) = ( 0.5000000 -1.1978429 -0.8393121), wk = 0.0029674 k( 61) = ( 0.5000000 -1.1835177 -0.8635297), wk = 0.0029674 k( 62) = ( 0.5000000 -1.1691925 -0.8877474), wk = 0.0029674 k( 63) = ( 0.5000000 -1.1548673 -0.9119651), wk = 0.0029674 k( 64) = ( 0.5000000 -1.1405421 -0.9361827), wk = 0.0029674 k( 65) = ( 0.5000000 -1.1262168 -0.9604004), wk = 0.0029674 k( 66) = ( 0.5000000 -1.1118916 -0.9846180), wk = 0.0029674 k( 67) = ( 0.5000000 -1.0975664 -1.0088357), wk = 0.0029674 k( 68) = ( 0.5000000 -1.0832412 -1.0330533), wk = 0.0029674 k( 69) = ( 0.5000000 -1.0689160 -1.0572710), wk = 0.0029674 k( 70) = ( 0.5000000 -1.0545908 -1.0814886), wk = 0.0029674 k( 71) = ( 0.5000000 -1.0402656 -1.1057063), wk = 0.0029674 k( 72) = ( 0.5000000 -1.0259404 -1.1299240), wk = 0.0029674 k( 73) = ( 0.5000000 -1.0116152 -1.1541416), wk = 0.0029674 k( 74) = ( 0.5000000 -0.9972900 -1.1783593), wk = 0.0029674 k( 75) = ( 0.5000000 -0.9829648 -1.2025770), wk = 0.0029674 k( 76) = ( 0.5000000 -0.9686396 -1.2267946), wk = 0.0029674 k( 77) = ( 0.5000000 -0.9543144 -1.2510123), wk = 0.0029674 k( 78) = ( 0.5000000 -0.9399892 -1.2752299), wk = 0.0029674 k( 79) = ( 0.5000000 -0.9256640 -1.2994476), wk = 0.0029674 k( 80) = ( 0.5000000 -0.9113387 -1.3236652), wk = 0.0029674 k( 81) = ( 0.5000000 -0.8970136 -1.3478829), wk = 0.0029674 k( 82) = ( 0.5000000 -0.8826883 -1.3721005), wk = 0.0029674 k( 83) = ( 0.5000000 -0.8683631 -1.3963182), wk = 0.0029674 k( 84) = ( 0.5000000 -0.8540379 -1.4205358), wk = 0.0029674 k( 85) = ( 0.5000000 -0.8397127 -1.4447535), wk = 0.0029674 k( 86) = ( 0.5000000 -0.8253875 -1.4689712), wk = 0.0029674 k( 87) = ( 0.5000000 -0.8110623 -1.4931888), wk = 0.0029674 k( 88) = ( 0.5000000 -0.7967371 -1.5174065), wk = 0.0029674 k( 89) = ( 0.5000000 -0.7824119 -1.5416242), wk = 0.0029674 k( 90) = ( 0.8250526 -0.7200508 -1.4281416), wk = 0.0029674 k( 91) = ( 0.8196351 -0.7064512 -1.4033936), wk = 0.0029674 k( 92) = ( 0.8142175 -0.6928516 -1.3786455), wk = 0.0029674 k( 93) = ( 0.8088000 -0.6792520 -1.3538975), wk = 0.0029674 k( 94) = ( 0.8033824 -0.6656524 -1.3291494), wk = 0.0029674 k( 95) = ( 0.7979649 -0.6520528 -1.3044014), wk = 0.0029674 k( 96) = ( 0.7925473 -0.6384532 -1.2796533), wk = 0.0029674 k( 97) = ( 0.7871298 -0.6248536 -1.2549053), wk = 0.0029674 k( 98) = ( 0.7817122 -0.6112541 -1.2301573), wk = 0.0029674 k( 99) = ( 0.7762947 -0.5976545 -1.2054092), wk = 0.0029674 k( 100) = ( 0.7708772 -0.5840549 -1.1806611), wk = 0.0029674 k( 101) = ( 0.7654596 -0.5704553 -1.1559131), wk = 0.0029674 k( 102) = ( 0.7600421 -0.5568557 -1.1311650), wk = 0.0029674 k( 103) = ( 0.7546245 -0.5432561 -1.1064170), wk = 0.0029674 k( 104) = ( 0.7492070 -0.5296565 -1.0816690), wk = 0.0029674 k( 105) = ( 0.7437894 -0.5160569 -1.0569209), wk = 0.0029674 k( 106) = ( 0.7383719 -0.5024573 -1.0321728), wk = 0.0029674 k( 107) = ( 0.7329544 -0.4888577 -1.0074248), wk = 0.0029674 k( 108) = ( 0.7275368 -0.4752581 -0.9826767), wk = 0.0029674 k( 109) = ( 0.7221193 -0.4616586 -0.9579287), wk = 0.0029674 k( 110) = ( 0.7167017 -0.4480590 -0.9331807), wk = 0.0029674 k( 111) = ( 0.7112842 -0.4344594 -0.9084326), wk = 0.0029674 k( 112) = ( 0.7058666 -0.4208598 -0.8836846), wk = 0.0029674 k( 113) = ( 0.7004491 -0.4072602 -0.8589365), wk = 0.0029674 k( 114) = ( 0.6950316 -0.3936606 -0.8341885), wk = 0.0029674 k( 115) = ( 0.6896140 -0.3800610 -0.8094404), wk = 0.0029674 k( 116) = ( 0.6841965 -0.3664614 -0.7846924), wk = 0.0029674 k( 117) = ( 0.6787789 -0.3528618 -0.7599443), wk = 0.0029674 k( 118) = ( 0.6733614 -0.3392622 -0.7351963), wk = 0.0029674 k( 119) = ( 0.6679438 -0.3256627 -0.7104482), wk = 0.0029674 k( 120) = ( 0.6625263 -0.3120631 -0.6857002), wk = 0.0029674 k( 121) = ( 0.6571088 -0.2984635 -0.6609521), wk = 0.0029674 k( 122) = ( 0.6516912 -0.2848639 -0.6362041), wk = 0.0029674 k( 123) = ( 0.6462737 -0.2712643 -0.6114561), wk = 0.0029674 k( 124) = ( 0.6408561 -0.2576647 -0.5867080), wk = 0.0029674 k( 125) = ( 0.6354386 -0.2440651 -0.5619599), wk = 0.0029674 k( 126) = ( 0.6300210 -0.2304655 -0.5372119), wk = 0.0029674 k( 127) = ( 0.6246035 -0.2168659 -0.5124638), wk = 0.0029674 k( 128) = ( 0.6191859 -0.2032663 -0.4877158), wk = 0.0029674 k( 129) = ( 0.6137684 -0.1896668 -0.4629678), wk = 0.0029674 k( 130) = ( 0.6083509 -0.1760671 -0.4382197), wk = 0.0029674 k( 131) = ( 0.6029333 -0.1624676 -0.4134716), wk = 0.0029674 k( 132) = ( 0.5975158 -0.1488680 -0.3887236), wk = 0.0029674 k( 133) = ( 0.5920982 -0.1352684 -0.3639755), wk = 0.0029674 k( 134) = ( 0.5866807 -0.1216688 -0.3392275), wk = 0.0029674 k( 135) = ( 0.5812631 -0.1080692 -0.3144795), wk = 0.0029674 k( 136) = ( 0.5758456 -0.0944696 -0.2897314), wk = 0.0029674 k( 137) = ( 0.5704281 -0.0808700 -0.2649834), wk = 0.0029674 k( 138) = ( 0.5650105 -0.0672704 -0.2402353), wk = 0.0029674 k( 139) = ( 0.5595930 -0.0536709 -0.2154873), wk = 0.0029674 k( 140) = ( 0.5541754 -0.0400712 -0.1907392), wk = 0.0029674 k( 141) = ( 0.5487579 -0.0264717 -0.1659912), wk = 0.0029674 k( 142) = ( 0.5433404 -0.0128721 -0.1412431), wk = 0.0029674 k( 143) = ( 0.5379228 0.0007275 -0.1164951), wk = 0.0029674 k( 144) = ( 0.5325053 0.0143271 -0.0917470), wk = 0.0029674 k( 145) = ( 0.5270877 0.0279267 -0.0669990), wk = 0.0029674 k( 146) = ( 0.5216702 0.0415263 -0.0422509), wk = 0.0029674 k( 147) = ( 0.5162526 0.0551259 -0.0175029), wk = 0.0029674 k( 148) = ( 0.5108351 0.0687255 0.0072452), wk = 0.0029674 k( 149) = ( 0.5054175 0.0823251 0.0319932), wk = 0.0029674 k( 150) = ( 0.5000000 0.0959247 0.0567413), wk = 0.0029674 k( 151) = ( 0.5000000 0.0959247 0.0567413), wk = 0.0029674 k( 152) = ( 0.4722222 0.0905955 0.0535890), wk = 0.0029674 k( 153) = ( 0.4444444 0.0852664 0.0504367), wk = 0.0029674 k( 154) = ( 0.4166667 0.0799372 0.0472844), wk = 0.0029674 k( 155) = ( 0.3888889 0.0746081 0.0441321), wk = 0.0029674 k( 156) = ( 0.3611111 0.0692789 0.0409798), wk = 0.0029674 k( 157) = ( 0.3333333 0.0639498 0.0378275), wk = 0.0029674 k( 158) = ( 0.3055556 0.0586206 0.0346752), wk = 0.0029674 k( 159) = ( 0.2777778 0.0532915 0.0315229), wk = 0.0029674 k( 160) = ( 0.2500000 0.0479623 0.0283706), wk = 0.0029674 k( 161) = ( 0.2222222 0.0426332 0.0252183), wk = 0.0029674 k( 162) = ( 0.1944444 0.0373040 0.0220660), wk = 0.0029674 k( 163) = ( 0.1666667 0.0319749 0.0189138), wk = 0.0029674 k( 164) = ( 0.1388889 0.0266457 0.0157615), wk = 0.0029674 k( 165) = ( 0.1111111 0.0213166 0.0126092), wk = 0.0029674 k( 166) = ( 0.0833333 0.0159874 0.0094569), wk = 0.0029674 k( 167) = ( 0.0555556 0.0106583 0.0063046), wk = 0.0029674 k( 168) = ( 0.0277778 0.0053291 0.0031523), wk = 0.0029674 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 171) = ( 0.0054431 -0.0136638 -0.0248649), wk = 0.0029674 k( 172) = ( 0.0108863 -0.0273276 -0.0497298), wk = 0.0029674 k( 173) = ( 0.0163294 -0.0409914 -0.0745947), wk = 0.0029674 k( 174) = ( 0.0217725 -0.0546552 -0.0994596), wk = 0.0029674 k( 175) = ( 0.0272156 -0.0683190 -0.1243245), wk = 0.0029674 k( 176) = ( 0.0326588 -0.0819828 -0.1491895), wk = 0.0029674 k( 177) = ( 0.0381019 -0.0956466 -0.1740543), wk = 0.0029674 k( 178) = ( 0.0435450 -0.1093104 -0.1989192), wk = 0.0029674 k( 179) = ( 0.0489881 -0.1229743 -0.2237842), wk = 0.0029674 k( 180) = ( 0.0544312 -0.1366381 -0.2486490), wk = 0.0029674 k( 181) = ( 0.0598744 -0.1503019 -0.2735140), wk = 0.0029674 k( 182) = ( 0.0653175 -0.1639657 -0.2983789), wk = 0.0029674 k( 183) = ( 0.0707606 -0.1776295 -0.3232438), wk = 0.0029674 k( 184) = ( 0.0762037 -0.1912933 -0.3481087), wk = 0.0029674 k( 185) = ( 0.0816469 -0.2049571 -0.3729736), wk = 0.0029674 k( 186) = ( 0.0870900 -0.2186209 -0.3978385), wk = 0.0029674 k( 187) = ( 0.0925331 -0.2322847 -0.4227034), wk = 0.0029674 k( 188) = ( 0.0979762 -0.2459485 -0.4475683), wk = 0.0029674 k( 189) = ( 0.1034194 -0.2596123 -0.4724332), wk = 0.0029674 k( 190) = ( 0.1088625 -0.2732761 -0.4972981), wk = 0.0029674 k( 191) = ( 0.1143056 -0.2869399 -0.5221630), wk = 0.0029674 k( 192) = ( 0.1197487 -0.3006037 -0.5470279), wk = 0.0029674 k( 193) = ( 0.1251919 -0.3142676 -0.5718928), wk = 0.0029674 k( 194) = ( 0.1306350 -0.3279313 -0.5967577), wk = 0.0029674 k( 195) = ( 0.1360781 -0.3415952 -0.6216227), wk = 0.0029674 k( 196) = ( 0.1415212 -0.3552590 -0.6464875), wk = 0.0029674 k( 197) = ( 0.1469643 -0.3689228 -0.6713524), wk = 0.0029674 k( 198) = ( 0.1524075 -0.3825866 -0.6962174), wk = 0.0029674 k( 199) = ( 0.1578506 -0.3962504 -0.7210822), wk = 0.0029674 k( 200) = ( 0.1632937 -0.4099142 -0.7459472), wk = 0.0029674 k( 201) = ( 0.1687368 -0.4235780 -0.7708121), wk = 0.0029674 k( 202) = ( 0.1741800 -0.4372418 -0.7956770), wk = 0.0029674 k( 203) = ( 0.1796231 -0.4509056 -0.8205419), wk = 0.0029674 k( 204) = ( 0.1850662 -0.4645694 -0.8454068), wk = 0.0029674 k( 205) = ( 0.1905093 -0.4782332 -0.8702717), wk = 0.0029674 k( 206) = ( 0.1959525 -0.4918970 -0.8951366), wk = 0.0029674 k( 207) = ( 0.2013956 -0.5055608 -0.9200015), wk = 0.0029674 k( 208) = ( 0.2068387 -0.5192246 -0.9448664), wk = 0.0029674 k( 209) = ( 0.2122818 -0.5328885 -0.9697313), wk = 0.0029674 k( 210) = ( 0.2177250 -0.5465523 -0.9945962), wk = 0.0029674 k( 211) = ( 0.2231681 -0.5602160 -1.0194611), wk = 0.0029674 k( 212) = ( 0.2286112 -0.5738799 -1.0443260), wk = 0.0029674 k( 213) = ( 0.2340543 -0.5875437 -1.0691909), wk = 0.0029674 k( 214) = ( 0.2394975 -0.6012075 -1.0940559), wk = 0.0029674 k( 215) = ( 0.2449406 -0.6148713 -1.1189208), wk = 0.0029674 k( 216) = ( 0.2503837 -0.6285351 -1.1437857), wk = 0.0029674 k( 217) = ( 0.2558268 -0.6421989 -1.1686506), wk = 0.0029674 k( 218) = ( 0.2612700 -0.6558627 -1.1935155), wk = 0.0029674 k( 219) = ( 0.2667131 -0.6695265 -1.2183804), wk = 0.0029674 k( 220) = ( 0.2721562 -0.6831903 -1.2432453), wk = 0.0029674 k( 221) = ( 0.2775993 -0.6968541 -1.2681102), wk = 0.0029674 k( 222) = ( 0.2830425 -0.7105179 -1.2929751), wk = 0.0029674 k( 223) = ( 0.2884856 -0.7241817 -1.3178400), wk = 0.0029674 k( 224) = ( 0.2939287 -0.7378455 -1.3427049), wk = 0.0029674 k( 225) = ( 0.2993718 -0.7515093 -1.3675698), wk = 0.0029674 k( 226) = ( 0.3048150 -0.7651732 -1.3924347), wk = 0.0029674 k( 227) = ( 0.3102581 -0.7788370 -1.4172996), wk = 0.0029674 k( 228) = ( 0.3157012 -0.7925008 -1.4421645), wk = 0.0029674 k( 229) = ( 0.3211443 -0.8061646 -1.4670294), wk = 0.0029674 k( 230) = ( 0.3265875 -0.8198284 -1.4918944), wk = 0.0029674 k( 231) = ( 0.3320306 -0.8334922 -1.5167593), wk = 0.0029674 k( 232) = ( 0.3374737 -0.8471560 -1.5416241), wk = 0.0029674 k( 233) = ( 0.6625263 -0.7512314 -1.4848829), wk = 0.0029674 k( 234) = ( 0.6571088 -0.7229928 -1.4848829), wk = 0.0029674 k( 235) = ( 0.6516912 -0.6947543 -1.4848829), wk = 0.0029674 k( 236) = ( 0.6462737 -0.6665158 -1.4848829), wk = 0.0029674 k( 237) = ( 0.6408561 -0.6382772 -1.4848829), wk = 0.0029674 k( 238) = ( 0.6354386 -0.6100387 -1.4848829), wk = 0.0029674 k( 239) = ( 0.6300210 -0.5818002 -1.4848829), wk = 0.0029674 k( 240) = ( 0.6246035 -0.5535616 -1.4848829), wk = 0.0029674 k( 241) = ( 0.6191859 -0.5253231 -1.4848829), wk = 0.0029674 k( 242) = ( 0.6137684 -0.4970846 -1.4848829), wk = 0.0029674 k( 243) = ( 0.6083509 -0.4688460 -1.4848829), wk = 0.0029674 k( 244) = ( 0.6029333 -0.4406075 -1.4848829), wk = 0.0029674 k( 245) = ( 0.5975158 -0.4123689 -1.4848829), wk = 0.0029674 k( 246) = ( 0.5920982 -0.3841304 -1.4848829), wk = 0.0029674 k( 247) = ( 0.5866807 -0.3558919 -1.4848829), wk = 0.0029674 k( 248) = ( 0.5812631 -0.3276533 -1.4848829), wk = 0.0029674 k( 249) = ( 0.5758456 -0.2994148 -1.4848829), wk = 0.0029674 k( 250) = ( 0.5704281 -0.2711763 -1.4848829), wk = 0.0029674 k( 251) = ( 0.5650105 -0.2429377 -1.4848829), wk = 0.0029674 k( 252) = ( 0.5595930 -0.2146992 -1.4848829), wk = 0.0029674 k( 253) = ( 0.5541754 -0.1864607 -1.4848829), wk = 0.0029674 k( 254) = ( 0.5487579 -0.1582221 -1.4848829), wk = 0.0029674 k( 255) = ( 0.5433404 -0.1299836 -1.4848829), wk = 0.0029674 k( 256) = ( 0.5379228 -0.1017451 -1.4848829), wk = 0.0029674 k( 257) = ( 0.5325053 -0.0735065 -1.4848829), wk = 0.0029674 k( 258) = ( 0.5270877 -0.0452680 -1.4848829), wk = 0.0029674 k( 259) = ( 0.5216702 -0.0170295 -1.4848829), wk = 0.0029674 k( 260) = ( 0.5162526 0.0112091 -1.4848829), wk = 0.0029674 k( 261) = ( 0.5108351 0.0394476 -1.4848829), wk = 0.0029674 k( 262) = ( 0.5054175 0.0676861 -1.4848829), wk = 0.0029674 k( 263) = ( 0.5000000 0.0959247 -1.4848829), wk = 0.0029674 k( 264) = ( 0.5000000 0.0959247 -1.4848829), wk = 0.0029674 k( 265) = ( 0.5232180 0.1003790 -1.4767770), wk = 0.0029674 k( 266) = ( 0.5464361 0.1048334 -1.4686711), wk = 0.0029674 k( 267) = ( 0.5696541 0.1092878 -1.4605652), wk = 0.0029674 k( 268) = ( 0.5928722 0.1137421 -1.4524593), wk = 0.0029674 k( 269) = ( 0.6160902 0.1181965 -1.4443534), wk = 0.0029674 k( 270) = ( 0.6393083 0.1226508 -1.4362475), wk = 0.0029674 k( 271) = ( 0.6625263 0.1271052 -1.4281416), wk = 0.0029674 k( 272) = ( 0.6625263 0.1271052 -1.4281416), wk = 0.0029674 k( 273) = ( 0.6594008 0.1265056 -1.3995862), wk = 0.0029674 k( 274) = ( 0.6562753 0.1259060 -1.3710307), wk = 0.0029674 k( 275) = ( 0.6531498 0.1253063 -1.3424753), wk = 0.0029674 k( 276) = ( 0.6500243 0.1247067 -1.3139199), wk = 0.0029674 k( 277) = ( 0.6468988 0.1241071 -1.2853644), wk = 0.0029674 k( 278) = ( 0.6437733 0.1235075 -1.2568090), wk = 0.0029674 k( 279) = ( 0.6406478 0.1229078 -1.2282535), wk = 0.0029674 k( 280) = ( 0.6375222 0.1223082 -1.1996981), wk = 0.0029674 k( 281) = ( 0.6343967 0.1217086 -1.1711427), wk = 0.0029674 k( 282) = ( 0.6312712 0.1211090 -1.1425872), wk = 0.0029674 k( 283) = ( 0.6281457 0.1205093 -1.1140318), wk = 0.0029674 k( 284) = ( 0.6250202 0.1199097 -1.0854764), wk = 0.0029674 k( 285) = ( 0.6218947 0.1193101 -1.0569209), wk = 0.0029674 k( 286) = ( 0.6187692 0.1187105 -1.0283655), wk = 0.0029674 k( 287) = ( 0.6156437 0.1181108 -0.9998100), wk = 0.0029674 k( 288) = ( 0.6125182 0.1175112 -0.9712546), wk = 0.0029674 k( 289) = ( 0.6093927 0.1169116 -0.9426991), wk = 0.0029674 k( 290) = ( 0.6062672 0.1163119 -0.9141437), wk = 0.0029674 k( 291) = ( 0.6031417 0.1157123 -0.8855883), wk = 0.0029674 k( 292) = ( 0.6000162 0.1151127 -0.8570328), wk = 0.0029674 k( 293) = ( 0.5968907 0.1145131 -0.8284774), wk = 0.0029674 k( 294) = ( 0.5937652 0.1139134 -0.7999219), wk = 0.0029674 k( 295) = ( 0.5906397 0.1133138 -0.7713665), wk = 0.0029674 k( 296) = ( 0.5875142 0.1127142 -0.7428111), wk = 0.0029674 k( 297) = ( 0.5843886 0.1121146 -0.7142556), wk = 0.0029674 k( 298) = ( 0.5812631 0.1115149 -0.6857002), wk = 0.0029674 k( 299) = ( 0.5781376 0.1109153 -0.6571447), wk = 0.0029674 k( 300) = ( 0.5750121 0.1103157 -0.6285893), wk = 0.0029674 k( 301) = ( 0.5718866 0.1097161 -0.6000338), wk = 0.0029674 k( 302) = ( 0.5687611 0.1091164 -0.5714784), wk = 0.0029674 k( 303) = ( 0.5656356 0.1085168 -0.5429230), wk = 0.0029674 k( 304) = ( 0.5625101 0.1079172 -0.5143675), wk = 0.0029674 k( 305) = ( 0.5593846 0.1073176 -0.4858121), wk = 0.0029674 k( 306) = ( 0.5562591 0.1067179 -0.4572567), wk = 0.0029674 k( 307) = ( 0.5531336 0.1061183 -0.4287012), wk = 0.0029674 k( 308) = ( 0.5500081 0.1055187 -0.4001458), wk = 0.0029674 k( 309) = ( 0.5468826 0.1049190 -0.3715903), wk = 0.0029674 k( 310) = ( 0.5437571 0.1043194 -0.3430349), wk = 0.0029674 k( 311) = ( 0.5406316 0.1037198 -0.3144795), wk = 0.0029674 k( 312) = ( 0.5375061 0.1031202 -0.2859240), wk = 0.0029674 k( 313) = ( 0.5343806 0.1025205 -0.2573686), wk = 0.0029674 k( 314) = ( 0.5312551 0.1019209 -0.2288131), wk = 0.0029674 k( 315) = ( 0.5281295 0.1013213 -0.2002577), wk = 0.0029674 k( 316) = ( 0.5250041 0.1007217 -0.1717023), wk = 0.0029674 k( 317) = ( 0.5218785 0.1001220 -0.1431468), wk = 0.0029674 k( 318) = ( 0.5187530 0.0995224 -0.1145914), wk = 0.0029674 k( 319) = ( 0.5156275 0.0989228 -0.0860360), wk = 0.0029674 k( 320) = ( 0.5125020 0.0983232 -0.0574805), wk = 0.0029674 k( 321) = ( 0.5093765 0.0977235 -0.0289251), wk = 0.0029674 k( 322) = ( 0.5062510 0.0971239 -0.0003696), wk = 0.0029674 k( 323) = ( 0.5031255 0.0965243 0.0281858), wk = 0.0029674 k( 324) = ( 0.5000000 0.0959247 0.0567413), wk = 0.0029674 k( 325) = ( 0.5000000 -1.2551437 -0.7424414), wk = 0.0029674 k( 326) = ( 0.5270877 -1.2471500 -0.7377130), wk = 0.0029674 k( 327) = ( 0.5541754 -1.2391563 -0.7329846), wk = 0.0029674 k( 328) = ( 0.5812631 -1.2311625 -0.7282561), wk = 0.0029674 k( 329) = ( 0.6083509 -1.2231688 -0.7235277), wk = 0.0029674 k( 330) = ( 0.6354386 -1.2151751 -0.7187993), wk = 0.0029674 k( 331) = ( 0.6625263 -1.2071814 -0.7140708), wk = 0.0029674 k( 332) = ( 0.6896140 -1.1991877 -0.7093424), wk = 0.0029674 k( 333) = ( 0.7167017 -1.1911939 -0.7046139), wk = 0.0029674 k( 334) = ( 0.7437894 -1.1832002 -0.6998855), wk = 0.0029674 k( 335) = ( 0.7708772 -1.1752065 -0.6951571), wk = 0.0029674 k( 336) = ( 0.7979649 -1.1672128 -0.6904286), wk = 0.0029674 k( 337) = ( 0.8250526 -1.1592191 -0.6857002), wk = 0.0029674 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0092593 -0.0000000 -0.0000000), wk = 0.0029674 k( 3) = ( 0.0185185 -0.0000000 -0.0000000), wk = 0.0029674 k( 4) = ( 0.0277778 0.0000000 0.0000000), wk = 0.0029674 k( 5) = ( 0.0370370 -0.0000000 -0.0000000), wk = 0.0029674 k( 6) = ( 0.0462963 0.0000000 0.0000000), wk = 0.0029674 k( 7) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0029674 k( 8) = ( 0.0648148 0.0000000 0.0000000), wk = 0.0029674 k( 9) = ( 0.0740741 0.0000000 0.0000000), wk = 0.0029674 k( 10) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0029674 k( 11) = ( 0.0925926 -0.0000000 0.0000000), wk = 0.0029674 k( 12) = ( 0.1018518 0.0000000 0.0000000), wk = 0.0029674 k( 13) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0029674 k( 14) = ( 0.1203704 -0.0000000 0.0000000), wk = 0.0029674 k( 15) = ( 0.1296296 0.0000000 0.0000000), wk = 0.0029674 k( 16) = ( 0.1388889 0.0000000 0.0000000), wk = 0.0029674 k( 17) = ( 0.1481482 -0.0000000 0.0000000), wk = 0.0029674 k( 18) = ( 0.1574074 -0.0000000 -0.0000000), wk = 0.0029674 k( 19) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0029674 k( 20) = ( 0.1759259 0.0000000 0.0000000), wk = 0.0029674 k( 21) = ( 0.1851852 -0.0000000 0.0000000), wk = 0.0029674 k( 22) = ( 0.1944444 -0.0000000 0.0000000), wk = 0.0029674 k( 23) = ( 0.2037037 0.0000000 0.0000000), wk = 0.0029674 k( 24) = ( 0.2129630 0.0000000 0.0000000), wk = 0.0029674 k( 25) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0029674 k( 26) = ( 0.2314815 0.0000000 0.0000000), wk = 0.0029674 k( 27) = ( 0.2407407 -0.0000000 0.0000000), wk = 0.0029674 k( 28) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0029674 k( 29) = ( 0.2592593 0.0000000 0.0000000), wk = 0.0029674 k( 30) = ( 0.2685185 0.0000000 0.0000000), wk = 0.0029674 k( 31) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0029674 k( 32) = ( 0.2870370 0.0000000 0.0000000), wk = 0.0029674 k( 33) = ( 0.2962963 -0.0000000 0.0000000), wk = 0.0029674 k( 34) = ( 0.3055556 0.0000000 0.0000000), wk = 0.0029674 k( 35) = ( 0.3148148 0.0000000 0.0000000), wk = 0.0029674 k( 36) = ( 0.3240741 -0.0000000 0.0000000), wk = 0.0029674 k( 37) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0029674 k( 38) = ( 0.3425926 0.0000000 0.0000000), wk = 0.0029674 k( 39) = ( 0.3518519 0.0000000 0.0000000), wk = 0.0029674 k( 40) = ( 0.3611111 0.0000000 0.0000000), wk = 0.0029674 k( 41) = ( 0.3703704 0.0000000 0.0000000), wk = 0.0029674 k( 42) = ( 0.3796296 -0.0000000 0.0000000), wk = 0.0029674 k( 43) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0029674 k( 44) = ( 0.3981481 0.0000000 0.0000000), wk = 0.0029674 k( 45) = ( 0.4074074 -0.0000000 0.0000000), wk = 0.0029674 k( 46) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0029674 k( 47) = ( 0.4259259 0.0000000 0.0000000), wk = 0.0029674 k( 48) = ( 0.4351852 -0.0000000 0.0000000), wk = 0.0029674 k( 49) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0029674 k( 50) = ( 0.4537037 -0.0000000 0.0000000), wk = 0.0029674 k( 51) = ( 0.4629630 0.0000000 0.0000000), wk = 0.0029674 k( 52) = ( 0.4722222 -0.0000000 0.0000000), wk = 0.0029674 k( 53) = ( 0.4814815 -0.0000000 0.0000000), wk = 0.0029674 k( 54) = ( 0.4907407 0.0000000 0.0000000), wk = 0.0029674 k( 55) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029674 k( 56) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029674 k( 57) = ( 0.5000000 0.0053014 -0.0053014), wk = 0.0029674 k( 58) = ( 0.5000000 0.0106029 -0.0106029), wk = 0.0029674 k( 59) = ( 0.5000000 0.0159043 -0.0159043), wk = 0.0029674 k( 60) = ( 0.5000000 0.0212057 -0.0212058), wk = 0.0029674 k( 61) = ( 0.5000000 0.0265072 -0.0265072), wk = 0.0029674 k( 62) = ( 0.5000000 0.0318086 -0.0318086), wk = 0.0029674 k( 63) = ( 0.5000000 0.0371101 -0.0371101), wk = 0.0029674 k( 64) = ( 0.5000000 0.0424115 -0.0424115), wk = 0.0029674 k( 65) = ( 0.5000000 0.0477129 -0.0477129), wk = 0.0029674 k( 66) = ( 0.5000000 0.0530144 -0.0530144), wk = 0.0029674 k( 67) = ( 0.5000000 0.0583158 -0.0583158), wk = 0.0029674 k( 68) = ( 0.5000000 0.0636172 -0.0636172), wk = 0.0029674 k( 69) = ( 0.5000000 0.0689187 -0.0689187), wk = 0.0029674 k( 70) = ( 0.5000000 0.0742201 -0.0742201), wk = 0.0029674 k( 71) = ( 0.5000000 0.0795215 -0.0795215), wk = 0.0029674 k( 72) = ( 0.5000000 0.0848230 -0.0848230), wk = 0.0029674 k( 73) = ( 0.5000000 0.0901244 -0.0901244), wk = 0.0029674 k( 74) = ( 0.5000000 0.0954259 -0.0954259), wk = 0.0029674 k( 75) = ( 0.5000000 0.1007273 -0.1007273), wk = 0.0029674 k( 76) = ( 0.5000000 0.1060287 -0.1060287), wk = 0.0029674 k( 77) = ( 0.5000000 0.1113302 -0.1113302), wk = 0.0029674 k( 78) = ( 0.5000000 0.1166316 -0.1166316), wk = 0.0029674 k( 79) = ( 0.5000000 0.1219330 -0.1219330), wk = 0.0029674 k( 80) = ( 0.5000000 0.1272345 -0.1272345), wk = 0.0029674 k( 81) = ( 0.5000000 0.1325359 -0.1325359), wk = 0.0029674 k( 82) = ( 0.5000000 0.1378373 -0.1378373), wk = 0.0029674 k( 83) = ( 0.5000000 0.1431388 -0.1431388), wk = 0.0029674 k( 84) = ( 0.5000000 0.1484402 -0.1484402), wk = 0.0029674 k( 85) = ( 0.5000000 0.1537417 -0.1537417), wk = 0.0029674 k( 86) = ( 0.5000000 0.1590431 -0.1590431), wk = 0.0029674 k( 87) = ( 0.5000000 0.1643445 -0.1643445), wk = 0.0029674 k( 88) = ( 0.5000000 0.1696460 -0.1696460), wk = 0.0029674 k( 89) = ( 0.5000000 0.1749474 -0.1749474), wk = 0.0029674 k( 90) = ( 0.8250526 0.5000000 0.1749474), wk = 0.0029674 k( 91) = ( 0.8196351 0.5000000 0.1803650), wk = 0.0029674 k( 92) = ( 0.8142175 0.5000000 0.1857825), wk = 0.0029674 k( 93) = ( 0.8088000 0.5000000 0.1912000), wk = 0.0029674 k( 94) = ( 0.8033824 0.5000000 0.1966176), wk = 0.0029674 k( 95) = ( 0.7979649 0.5000000 0.2020351), wk = 0.0029674 k( 96) = ( 0.7925473 0.5000000 0.2074527), wk = 0.0029674 k( 97) = ( 0.7871298 0.5000000 0.2128702), wk = 0.0029674 k( 98) = ( 0.7817122 0.5000000 0.2182878), wk = 0.0029674 k( 99) = ( 0.7762947 0.5000000 0.2237053), wk = 0.0029674 k( 100) = ( 0.7708772 0.5000000 0.2291228), wk = 0.0029674 k( 101) = ( 0.7654596 0.5000000 0.2345404), wk = 0.0029674 k( 102) = ( 0.7600421 0.5000000 0.2399579), wk = 0.0029674 k( 103) = ( 0.7546245 0.5000000 0.2453755), wk = 0.0029674 k( 104) = ( 0.7492070 0.5000000 0.2507930), wk = 0.0029674 k( 105) = ( 0.7437894 0.5000000 0.2562106), wk = 0.0029674 k( 106) = ( 0.7383719 0.5000000 0.2616281), wk = 0.0029674 k( 107) = ( 0.7329544 0.5000000 0.2670456), wk = 0.0029674 k( 108) = ( 0.7275368 0.5000000 0.2724632), wk = 0.0029674 k( 109) = ( 0.7221193 0.5000000 0.2778807), wk = 0.0029674 k( 110) = ( 0.7167017 0.5000000 0.2832983), wk = 0.0029674 k( 111) = ( 0.7112842 0.5000000 0.2887158), wk = 0.0029674 k( 112) = ( 0.7058666 0.5000000 0.2941334), wk = 0.0029674 k( 113) = ( 0.7004491 0.5000000 0.2995509), wk = 0.0029674 k( 114) = ( 0.6950316 0.5000000 0.3049684), wk = 0.0029674 k( 115) = ( 0.6896140 0.5000000 0.3103860), wk = 0.0029674 k( 116) = ( 0.6841965 0.5000000 0.3158035), wk = 0.0029674 k( 117) = ( 0.6787789 0.5000000 0.3212211), wk = 0.0029674 k( 118) = ( 0.6733614 0.5000000 0.3266386), wk = 0.0029674 k( 119) = ( 0.6679438 0.5000000 0.3320562), wk = 0.0029674 k( 120) = ( 0.6625263 0.5000000 0.3374737), wk = 0.0029674 k( 121) = ( 0.6571088 0.5000000 0.3428913), wk = 0.0029674 k( 122) = ( 0.6516912 0.5000000 0.3483088), wk = 0.0029674 k( 123) = ( 0.6462737 0.5000000 0.3537263), wk = 0.0029674 k( 124) = ( 0.6408561 0.5000000 0.3591439), wk = 0.0029674 k( 125) = ( 0.6354386 0.5000000 0.3645614), wk = 0.0029674 k( 126) = ( 0.6300210 0.5000000 0.3699790), wk = 0.0029674 k( 127) = ( 0.6246035 0.5000000 0.3753965), wk = 0.0029674 k( 128) = ( 0.6191859 0.5000000 0.3808141), wk = 0.0029674 k( 129) = ( 0.6137684 0.5000000 0.3862316), wk = 0.0029674 k( 130) = ( 0.6083509 0.5000000 0.3916491), wk = 0.0029674 k( 131) = ( 0.6029333 0.5000000 0.3970667), wk = 0.0029674 k( 132) = ( 0.5975158 0.5000000 0.4024842), wk = 0.0029674 k( 133) = ( 0.5920982 0.5000000 0.4079018), wk = 0.0029674 k( 134) = ( 0.5866807 0.5000000 0.4133193), wk = 0.0029674 k( 135) = ( 0.5812631 0.5000000 0.4187369), wk = 0.0029674 k( 136) = ( 0.5758456 0.5000000 0.4241544), wk = 0.0029674 k( 137) = ( 0.5704281 0.5000000 0.4295719), wk = 0.0029674 k( 138) = ( 0.5650105 0.5000000 0.4349895), wk = 0.0029674 k( 139) = ( 0.5595930 0.5000000 0.4404070), wk = 0.0029674 k( 140) = ( 0.5541754 0.5000000 0.4458246), wk = 0.0029674 k( 141) = ( 0.5487579 0.5000000 0.4512421), wk = 0.0029674 k( 142) = ( 0.5433404 0.5000000 0.4566596), wk = 0.0029674 k( 143) = ( 0.5379228 0.5000000 0.4620772), wk = 0.0029674 k( 144) = ( 0.5325053 0.5000000 0.4674947), wk = 0.0029674 k( 145) = ( 0.5270877 0.5000000 0.4729123), wk = 0.0029674 k( 146) = ( 0.5216702 0.5000000 0.4783298), wk = 0.0029674 k( 147) = ( 0.5162526 0.5000000 0.4837474), wk = 0.0029674 k( 148) = ( 0.5108351 0.5000000 0.4891649), wk = 0.0029674 k( 149) = ( 0.5054175 0.5000000 0.4945825), wk = 0.0029674 k( 150) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 151) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 152) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0029674 k( 153) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0029674 k( 154) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0029674 k( 155) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0029674 k( 156) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0029674 k( 157) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0029674 k( 158) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0029674 k( 159) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0029674 k( 160) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029674 k( 161) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0029674 k( 162) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0029674 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0029674 k( 164) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0029674 k( 165) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0029674 k( 166) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0029674 k( 167) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0029674 k( 168) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0029674 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 171) = ( 0.0054431 -0.0000000 -0.0054431), wk = 0.0029674 k( 172) = ( 0.0108863 0.0000000 -0.0108863), wk = 0.0029674 k( 173) = ( 0.0163294 0.0000000 -0.0163294), wk = 0.0029674 k( 174) = ( 0.0217725 0.0000000 -0.0217725), wk = 0.0029674 k( 175) = ( 0.0272156 0.0000000 -0.0272156), wk = 0.0029674 k( 176) = ( 0.0326588 0.0000000 -0.0326588), wk = 0.0029674 k( 177) = ( 0.0381019 0.0000000 -0.0381019), wk = 0.0029674 k( 178) = ( 0.0435450 0.0000000 -0.0435450), wk = 0.0029674 k( 179) = ( 0.0489881 -0.0000000 -0.0489881), wk = 0.0029674 k( 180) = ( 0.0544312 0.0000000 -0.0544312), wk = 0.0029674 k( 181) = ( 0.0598744 0.0000000 -0.0598744), wk = 0.0029674 k( 182) = ( 0.0653175 0.0000000 -0.0653175), wk = 0.0029674 k( 183) = ( 0.0707606 0.0000000 -0.0707606), wk = 0.0029674 k( 184) = ( 0.0762037 0.0000000 -0.0762037), wk = 0.0029674 k( 185) = ( 0.0816469 0.0000000 -0.0816469), wk = 0.0029674 k( 186) = ( 0.0870900 0.0000000 -0.0870900), wk = 0.0029674 k( 187) = ( 0.0925331 0.0000000 -0.0925331), wk = 0.0029674 k( 188) = ( 0.0979762 -0.0000000 -0.0979762), wk = 0.0029674 k( 189) = ( 0.1034194 -0.0000000 -0.1034194), wk = 0.0029674 k( 190) = ( 0.1088625 0.0000000 -0.1088625), wk = 0.0029674 k( 191) = ( 0.1143056 0.0000000 -0.1143056), wk = 0.0029674 k( 192) = ( 0.1197487 0.0000000 -0.1197487), wk = 0.0029674 k( 193) = ( 0.1251919 -0.0000000 -0.1251919), wk = 0.0029674 k( 194) = ( 0.1306350 0.0000000 -0.1306350), wk = 0.0029674 k( 195) = ( 0.1360781 0.0000000 -0.1360781), wk = 0.0029674 k( 196) = ( 0.1415212 0.0000000 -0.1415212), wk = 0.0029674 k( 197) = ( 0.1469643 0.0000000 -0.1469643), wk = 0.0029674 k( 198) = ( 0.1524075 0.0000000 -0.1524075), wk = 0.0029674 k( 199) = ( 0.1578506 0.0000000 -0.1578506), wk = 0.0029674 k( 200) = ( 0.1632937 -0.0000000 -0.1632937), wk = 0.0029674 k( 201) = ( 0.1687368 0.0000000 -0.1687368), wk = 0.0029674 k( 202) = ( 0.1741800 0.0000000 -0.1741800), wk = 0.0029674 k( 203) = ( 0.1796231 -0.0000000 -0.1796231), wk = 0.0029674 k( 204) = ( 0.1850662 0.0000000 -0.1850662), wk = 0.0029674 k( 205) = ( 0.1905093 0.0000000 -0.1905093), wk = 0.0029674 k( 206) = ( 0.1959525 -0.0000000 -0.1959525), wk = 0.0029674 k( 207) = ( 0.2013956 0.0000000 -0.2013956), wk = 0.0029674 k( 208) = ( 0.2068387 -0.0000000 -0.2068387), wk = 0.0029674 k( 209) = ( 0.2122818 0.0000000 -0.2122818), wk = 0.0029674 k( 210) = ( 0.2177250 0.0000000 -0.2177250), wk = 0.0029674 k( 211) = ( 0.2231681 -0.0000000 -0.2231681), wk = 0.0029674 k( 212) = ( 0.2286112 0.0000000 -0.2286112), wk = 0.0029674 k( 213) = ( 0.2340543 0.0000000 -0.2340543), wk = 0.0029674 k( 214) = ( 0.2394975 0.0000000 -0.2394975), wk = 0.0029674 k( 215) = ( 0.2449406 0.0000000 -0.2449406), wk = 0.0029674 k( 216) = ( 0.2503837 -0.0000000 -0.2503837), wk = 0.0029674 k( 217) = ( 0.2558268 0.0000000 -0.2558268), wk = 0.0029674 k( 218) = ( 0.2612700 0.0000000 -0.2612700), wk = 0.0029674 k( 219) = ( 0.2667131 -0.0000000 -0.2667131), wk = 0.0029674 k( 220) = ( 0.2721562 0.0000000 -0.2721562), wk = 0.0029674 k( 221) = ( 0.2775993 0.0000000 -0.2775993), wk = 0.0029674 k( 222) = ( 0.2830425 0.0000000 -0.2830425), wk = 0.0029674 k( 223) = ( 0.2884856 -0.0000000 -0.2884856), wk = 0.0029674 k( 224) = ( 0.2939287 -0.0000000 -0.2939287), wk = 0.0029674 k( 225) = ( 0.2993718 0.0000000 -0.2993718), wk = 0.0029674 k( 226) = ( 0.3048150 0.0000000 -0.3048150), wk = 0.0029674 k( 227) = ( 0.3102581 0.0000000 -0.3102581), wk = 0.0029674 k( 228) = ( 0.3157012 -0.0000000 -0.3157012), wk = 0.0029674 k( 229) = ( 0.3211443 -0.0000000 -0.3211443), wk = 0.0029674 k( 230) = ( 0.3265875 -0.0000000 -0.3265875), wk = 0.0029674 k( 231) = ( 0.3320306 0.0000000 -0.3320306), wk = 0.0029674 k( 232) = ( 0.3374737 0.0000000 -0.3374737), wk = 0.0029674 k( 233) = ( 0.6625263 0.3374737 0.0000000), wk = 0.0029674 k( 234) = ( 0.6571088 0.3428913 0.0000000), wk = 0.0029674 k( 235) = ( 0.6516912 0.3483088 0.0000000), wk = 0.0029674 k( 236) = ( 0.6462737 0.3537263 0.0000000), wk = 0.0029674 k( 237) = ( 0.6408561 0.3591439 0.0000000), wk = 0.0029674 k( 238) = ( 0.6354386 0.3645614 0.0000000), wk = 0.0029674 k( 239) = ( 0.6300210 0.3699790 0.0000000), wk = 0.0029674 k( 240) = ( 0.6246035 0.3753965 0.0000000), wk = 0.0029674 k( 241) = ( 0.6191859 0.3808141 0.0000000), wk = 0.0029674 k( 242) = ( 0.6137684 0.3862316 -0.0000000), wk = 0.0029674 k( 243) = ( 0.6083509 0.3916491 0.0000000), wk = 0.0029674 k( 244) = ( 0.6029333 0.3970667 0.0000000), wk = 0.0029674 k( 245) = ( 0.5975158 0.4024842 0.0000000), wk = 0.0029674 k( 246) = ( 0.5920982 0.4079018 0.0000000), wk = 0.0029674 k( 247) = ( 0.5866807 0.4133193 0.0000000), wk = 0.0029674 k( 248) = ( 0.5812631 0.4187368 0.0000000), wk = 0.0029674 k( 249) = ( 0.5758456 0.4241544 0.0000000), wk = 0.0029674 k( 250) = ( 0.5704281 0.4295719 0.0000000), wk = 0.0029674 k( 251) = ( 0.5650105 0.4349895 0.0000000), wk = 0.0029674 k( 252) = ( 0.5595930 0.4404070 -0.0000000), wk = 0.0029674 k( 253) = ( 0.5541754 0.4458246 0.0000000), wk = 0.0029674 k( 254) = ( 0.5487579 0.4512421 -0.0000000), wk = 0.0029674 k( 255) = ( 0.5433404 0.4566596 -0.0000000), wk = 0.0029674 k( 256) = ( 0.5379228 0.4620772 0.0000000), wk = 0.0029674 k( 257) = ( 0.5325053 0.4674947 -0.0000000), wk = 0.0029674 k( 258) = ( 0.5270877 0.4729123 0.0000000), wk = 0.0029674 k( 259) = ( 0.5216702 0.4783298 0.0000000), wk = 0.0029674 k( 260) = ( 0.5162526 0.4837474 0.0000000), wk = 0.0029674 k( 261) = ( 0.5108351 0.4891649 0.0000000), wk = 0.0029674 k( 262) = ( 0.5054175 0.4945825 0.0000000), wk = 0.0029674 k( 263) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029674 k( 264) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029674 k( 265) = ( 0.5232180 0.5232180 0.0249925), wk = 0.0029674 k( 266) = ( 0.5464361 0.5464361 0.0499850), wk = 0.0029674 k( 267) = ( 0.5696541 0.5696541 0.0749775), wk = 0.0029674 k( 268) = ( 0.5928722 0.5928722 0.0999700), wk = 0.0029674 k( 269) = ( 0.6160902 0.6160902 0.1249624), wk = 0.0029674 k( 270) = ( 0.6393083 0.6393083 0.1499549), wk = 0.0029674 k( 271) = ( 0.6625263 0.6625263 0.1749474), wk = 0.0029674 k( 272) = ( 0.6625263 0.6625263 0.1749474), wk = 0.0029674 k( 273) = ( 0.6594008 0.6594008 0.1811984), wk = 0.0029674 k( 274) = ( 0.6562753 0.6562753 0.1874494), wk = 0.0029674 k( 275) = ( 0.6531498 0.6531498 0.1937004), wk = 0.0029674 k( 276) = ( 0.6500243 0.6500243 0.1999515), wk = 0.0029674 k( 277) = ( 0.6468988 0.6468988 0.2062025), wk = 0.0029674 k( 278) = ( 0.6437733 0.6437733 0.2124535), wk = 0.0029674 k( 279) = ( 0.6406478 0.6406478 0.2187045), wk = 0.0029674 k( 280) = ( 0.6375222 0.6375223 0.2249555), wk = 0.0029674 k( 281) = ( 0.6343967 0.6343967 0.2312065), wk = 0.0029674 k( 282) = ( 0.6312712 0.6312712 0.2374575), wk = 0.0029674 k( 283) = ( 0.6281457 0.6281457 0.2437085), wk = 0.0029674 k( 284) = ( 0.6250202 0.6250202 0.2499595), wk = 0.0029674 k( 285) = ( 0.6218947 0.6218947 0.2562106), wk = 0.0029674 k( 286) = ( 0.6187692 0.6187692 0.2624616), wk = 0.0029674 k( 287) = ( 0.6156437 0.6156437 0.2687126), wk = 0.0029674 k( 288) = ( 0.6125182 0.6125182 0.2749636), wk = 0.0029674 k( 289) = ( 0.6093927 0.6093927 0.2812146), wk = 0.0029674 k( 290) = ( 0.6062672 0.6062672 0.2874656), wk = 0.0029674 k( 291) = ( 0.6031417 0.6031417 0.2937166), wk = 0.0029674 k( 292) = ( 0.6000162 0.6000162 0.2999676), wk = 0.0029674 k( 293) = ( 0.5968907 0.5968907 0.3062187), wk = 0.0029674 k( 294) = ( 0.5937652 0.5937652 0.3124697), wk = 0.0029674 k( 295) = ( 0.5906397 0.5906397 0.3187207), wk = 0.0029674 k( 296) = ( 0.5875142 0.5875142 0.3249717), wk = 0.0029674 k( 297) = ( 0.5843886 0.5843887 0.3312227), wk = 0.0029674 k( 298) = ( 0.5812631 0.5812631 0.3374737), wk = 0.0029674 k( 299) = ( 0.5781376 0.5781376 0.3437247), wk = 0.0029674 k( 300) = ( 0.5750121 0.5750121 0.3499757), wk = 0.0029674 k( 301) = ( 0.5718866 0.5718866 0.3562267), wk = 0.0029674 k( 302) = ( 0.5687611 0.5687611 0.3624777), wk = 0.0029674 k( 303) = ( 0.5656356 0.5656356 0.3687288), wk = 0.0029674 k( 304) = ( 0.5625101 0.5625101 0.3749798), wk = 0.0029674 k( 305) = ( 0.5593846 0.5593846 0.3812308), wk = 0.0029674 k( 306) = ( 0.5562591 0.5562591 0.3874818), wk = 0.0029674 k( 307) = ( 0.5531336 0.5531336 0.3937328), wk = 0.0029674 k( 308) = ( 0.5500081 0.5500081 0.3999838), wk = 0.0029674 k( 309) = ( 0.5468826 0.5468826 0.4062348), wk = 0.0029674 k( 310) = ( 0.5437571 0.5437571 0.4124858), wk = 0.0029674 k( 311) = ( 0.5406316 0.5406316 0.4187369), wk = 0.0029674 k( 312) = ( 0.5375061 0.5375061 0.4249879), wk = 0.0029674 k( 313) = ( 0.5343806 0.5343806 0.4312389), wk = 0.0029674 k( 314) = ( 0.5312551 0.5312551 0.4374899), wk = 0.0029674 k( 315) = ( 0.5281295 0.5281295 0.4437409), wk = 0.0029674 k( 316) = ( 0.5250041 0.5250041 0.4499919), wk = 0.0029674 k( 317) = ( 0.5218785 0.5218785 0.4562429), wk = 0.0029674 k( 318) = ( 0.5187530 0.5187530 0.4624939), wk = 0.0029674 k( 319) = ( 0.5156275 0.5156275 0.4687449), wk = 0.0029674 k( 320) = ( 0.5125020 0.5125020 0.4749960), wk = 0.0029674 k( 321) = ( 0.5093765 0.5093765 0.4812470), wk = 0.0029674 k( 322) = ( 0.5062510 0.5062510 0.4874980), wk = 0.0029674 k( 323) = ( 0.5031255 0.5031255 0.4937490), wk = 0.0029674 k( 324) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 325) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029674 k( 326) = ( 0.5270877 0.0281228 0.0281228), wk = 0.0029674 k( 327) = ( 0.5541754 0.0562456 0.0562456), wk = 0.0029674 k( 328) = ( 0.5812631 0.0843684 0.0843684), wk = 0.0029674 k( 329) = ( 0.6083509 0.1124912 0.1124912), wk = 0.0029674 k( 330) = ( 0.6354386 0.1406140 0.1406140), wk = 0.0029674 k( 331) = ( 0.6625263 0.1687368 0.1687369), wk = 0.0029674 k( 332) = ( 0.6896140 0.1968597 0.1968597), wk = 0.0029674 k( 333) = ( 0.7167017 0.2249825 0.2249825), wk = 0.0029674 k( 334) = ( 0.7437894 0.2531053 0.2531053), wk = 0.0029674 k( 335) = ( 0.7708772 0.2812281 0.2812281), wk = 0.0029674 k( 336) = ( 0.7979649 0.3093509 0.3093509), wk = 0.0029674 k( 337) = ( 0.8250526 0.3374737 0.3374737), wk = 0.0029674 Dense grid: 45051 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 25477 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 134, 46) NL pseudopotentials 0.14 Mb ( 67, 136) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.01 Mb ( 939) G-vector shells 0.01 Mb ( 816) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 134, 184) Each subspace H/S matrix 0.52 Mb ( 184, 184) Each matrix 0.19 Mb ( 136, 2, 46) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./ZrCl.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.8 secs Computing kpt #: 2 total cpu time spent up to now is 48.2 secs Computing kpt #: 3 total cpu time spent up to now is 50.4 secs Computing kpt #: 4 total cpu time spent up to now is 52.7 secs Computing kpt #: 5 total cpu time spent up to now is 54.8 secs Computing kpt #: 6 total cpu time spent up to now is 57.1 secs Computing kpt #: 7 total cpu time spent up to now is 59.3 secs Computing kpt #: 8 total cpu time spent up to now is 61.5 secs Computing kpt #: 9 total cpu time spent up to now is 63.7 secs Computing kpt #: 10 total cpu time spent up to now is 65.9 secs Computing kpt #: 11 total cpu time spent up to now is 68.1 secs Computing kpt #: 12 total cpu time spent up to now is 70.3 secs Computing kpt #: 13 total cpu time spent up to now is 72.5 secs Computing kpt #: 14 total cpu time spent up to now is 74.6 secs Computing kpt #: 15 total cpu time spent up to now is 76.8 secs Computing kpt #: 16 total cpu time spent up to now is 79.0 secs Computing kpt #: 17 total cpu time spent up to now is 81.2 secs Computing kpt #: 18 total cpu time spent up to now is 83.5 secs Computing kpt #: 19 total cpu time spent up to now is 85.7 secs Computing kpt #: 20 total cpu time spent up to now is 88.1 secs Computing kpt #: 21 total cpu time spent up to now is 90.6 secs Computing kpt #: 22 total cpu time spent up to now is 93.1 secs Computing kpt #: 23 total cpu time spent up to now is 95.6 secs Computing kpt #: 24 total cpu time spent up to now is 98.2 secs Computing kpt #: 25 total cpu time spent up to now is 100.8 secs Computing kpt #: 26 total cpu time spent up to now is 103.3 secs Computing kpt #: 27 total cpu time spent up to now is 105.9 secs Computing kpt #: 28 total cpu time spent up to now is 108.8 secs Computing kpt #: 29 total cpu time spent up to now is 111.5 secs Computing kpt #: 30 total cpu time spent up to now is 114.1 secs Computing kpt #: 31 total cpu time spent up to now is 116.9 secs Computing kpt #: 32 total cpu time spent up to now is 119.7 secs Computing kpt #: 33 total cpu time spent up to now is 122.3 secs Computing kpt #: 34 total cpu time spent up to now is 124.8 secs Computing kpt #: 35 total cpu time spent up to now is 127.4 secs Computing kpt #: 36 total cpu time spent up to now is 130.0 secs Computing kpt #: 37 total cpu time spent up to now is 132.5 secs Computing kpt #: 38 total cpu time spent up to now is 135.0 secs Computing kpt #: 39 total cpu time spent up to now is 137.6 secs Computing kpt #: 40 total cpu time spent up to now is 140.1 secs Computing kpt #: 41 total cpu time spent up to now is 142.7 secs Computing kpt #: 42 total cpu time spent up to now is 145.1 secs Computing kpt #: 43 total cpu time spent up to now is 147.7 secs Computing kpt #: 44 total cpu time spent up to now is 150.2 secs Computing kpt #: 45 total cpu time spent up to now is 152.8 secs Computing kpt #: 46 total cpu time spent up to now is 155.4 secs Computing kpt #: 47 total cpu time spent up to now is 157.9 secs Computing kpt #: 48 total cpu time spent up to now is 160.4 secs Computing kpt #: 49 total cpu time spent up to now is 162.9 secs Computing kpt #: 50 total cpu time spent up to now is 165.5 secs Computing kpt #: 51 total cpu time spent up to now is 168.1 secs Computing kpt #: 52 total cpu time spent up to now is 170.6 secs Computing kpt #: 53 total cpu time spent up to now is 173.3 secs Computing kpt #: 54 total cpu time spent up to now is 176.0 secs Computing kpt #: 55 total cpu time spent up to now is 178.8 secs Computing kpt #: 56 total cpu time spent up to now is 181.6 secs Computing kpt #: 57 total cpu time spent up to now is 184.4 secs Computing kpt #: 58 total cpu time spent up to now is 187.1 secs Computing kpt #: 59 total cpu time spent up to now is 189.8 secs Computing kpt #: 60 total cpu time spent up to now is 192.4 secs Computing kpt #: 61 total cpu time spent up to now is 195.0 secs Computing kpt #: 62 total cpu time spent up to now is 197.6 secs Computing kpt #: 63 total cpu time spent up to now is 200.1 secs Computing kpt #: 64 total cpu time spent up to now is 202.7 secs Computing kpt #: 65 total cpu time spent up to now is 205.2 secs Computing kpt #: 66 total cpu time spent up to now is 207.9 secs Computing kpt #: 67 total cpu time spent up to now is 210.4 secs Computing kpt #: 68 total cpu time spent up to now is 212.9 secs Computing kpt #: 69 total cpu time spent up to now is 215.4 secs Computing kpt #: 70 total cpu time spent up to now is 217.9 secs Computing kpt #: 71 total cpu time spent up to now is 220.4 secs Computing kpt #: 72 total cpu time spent up to now is 222.8 secs Computing kpt #: 73 total cpu time spent up to now is 225.3 secs Computing kpt #: 74 total cpu time spent up to now is 227.8 secs Computing kpt #: 75 total cpu time spent up to now is 230.3 secs Computing kpt #: 76 total cpu time spent up to now is 232.7 secs Computing kpt #: 77 total cpu time spent up to now is 235.2 secs Computing kpt #: 78 total cpu time spent up to now is 237.7 secs Computing kpt #: 79 total cpu time spent up to now is 240.1 secs Computing kpt #: 80 total cpu time spent up to now is 242.7 secs Computing kpt #: 81 total cpu time spent up to now is 245.2 secs Computing kpt #: 82 total cpu time spent up to now is 247.8 secs Computing kpt #: 83 total cpu time spent up to now is 250.3 secs Computing kpt #: 84 total cpu time spent up to now is 252.8 secs Computing kpt #: 85 total cpu time spent up to now is 255.3 secs Computing kpt #: 86 total cpu time spent up to now is 257.8 secs Computing kpt #: 87 total cpu time spent up to now is 260.4 secs Computing kpt #: 88 total cpu time spent up to now is 262.9 secs Computing kpt #: 89 total cpu time spent up to now is 265.4 secs Computing kpt #: 90 total cpu time spent up to now is 267.9 secs Computing kpt #: 91 total cpu time spent up to now is 270.4 secs Computing kpt #: 92 total cpu time spent up to now is 272.9 secs Computing kpt #: 93 total cpu time spent up to now is 275.4 secs Computing kpt #: 94 total cpu time spent up to now is 277.6 secs Computing kpt #: 95 total cpu time spent up to now is 279.8 secs Computing kpt #: 96 total cpu time spent up to now is 282.0 secs Computing kpt #: 97 total cpu time spent up to now is 284.2 secs Computing kpt #: 98 total cpu time spent up to now is 286.4 secs Computing kpt #: 99 total cpu time spent up to now is 288.6 secs Computing kpt #: 100 total cpu time spent up to now is 290.8 secs Computing kpt #: 101 total cpu time spent up to now is 292.9 secs Computing kpt #: 102 total cpu time spent up to now is 295.1 secs Computing kpt #: 103 total cpu time spent up to now is 297.3 secs Computing kpt #: 104 total cpu time spent up to now is 299.4 secs Computing kpt #: 105 total cpu time spent up to now is 301.6 secs Computing kpt #: 106 total cpu time spent up to now is 303.7 secs Computing kpt #: 107 total cpu time spent up to now is 305.8 secs Computing kpt #: 108 total cpu time spent up to now is 308.0 secs Computing kpt #: 109 total cpu time spent up to now is 310.1 secs Computing kpt #: 110 total cpu time spent up to now is 312.2 secs Computing kpt #: 111 total cpu time spent up to now is 314.4 secs Computing kpt #: 112 total cpu time spent up to now is 316.5 secs Computing kpt #: 113 total cpu time spent up to now is 318.6 secs Computing kpt #: 114 total cpu time spent up to now is 320.8 secs Computing kpt #: 115 total cpu time spent up to now is 322.9 secs Computing kpt #: 116 total cpu time spent up to now is 325.1 secs Computing kpt #: 117 total cpu time spent up to now is 327.3 secs Computing kpt #: 118 total cpu time spent up to now is 329.5 secs Computing kpt #: 119 total cpu time spent up to now is 331.7 secs Computing kpt #: 120 total cpu time spent up to now is 333.9 secs Computing kpt #: 121 total cpu time spent up to now is 336.1 secs Computing kpt #: 122 total cpu time spent up to now is 338.3 secs Computing kpt #: 123 total cpu time spent up to now is 340.6 secs Computing kpt #: 124 total cpu time spent up to now is 342.8 secs Computing kpt #: 125 total cpu time spent up to now is 345.0 secs Computing kpt #: 126 total cpu time spent up to now is 347.3 secs Computing kpt #: 127 total cpu time spent up to now is 349.4 secs Computing kpt #: 128 total cpu time spent up to now is 351.7 secs Computing kpt #: 129 total cpu time spent up to now is 353.9 secs Computing kpt #: 130 total cpu time spent up to now is 356.1 secs Computing kpt #: 131 total cpu time spent up to now is 358.3 secs Computing kpt #: 132 total cpu time spent up to now is 360.4 secs Computing kpt #: 133 total cpu time spent up to now is 362.7 secs Computing kpt #: 134 total cpu time spent up to now is 364.9 secs Computing kpt #: 135 total cpu time spent up to now is 367.1 secs Computing kpt #: 136 total cpu time spent up to now is 369.3 secs Computing kpt #: 137 total cpu time spent up to now is 371.5 secs Computing kpt #: 138 total cpu time spent up to now is 373.7 secs Computing kpt #: 139 total cpu time spent up to now is 375.9 secs Computing kpt #: 140 total cpu time spent up to now is 378.1 secs Computing kpt #: 141 total cpu time spent up to now is 380.3 secs Computing kpt #: 142 total cpu time spent up to now is 382.4 secs Computing kpt #: 143 total cpu time spent up to now is 384.6 secs Computing kpt #: 144 total cpu time spent up to now is 386.8 secs Computing kpt #: 145 total cpu time spent up to now is 389.0 secs Computing kpt #: 146 total cpu time spent up to now is 391.1 secs Computing kpt #: 147 total cpu time spent up to now is 393.3 secs Computing kpt #: 148 total cpu time spent up to now is 395.5 secs Computing kpt #: 149 total cpu time spent up to now is 397.7 secs Computing kpt #: 150 total cpu time spent up to now is 399.9 secs Computing kpt #: 151 total cpu time spent up to now is 402.0 secs Computing kpt #: 152 total cpu time spent up to now is 404.3 secs Computing kpt #: 153 total cpu time spent up to now is 406.7 secs Computing kpt #: 154 total cpu time spent up to now is 408.9 secs Computing kpt #: 155 total cpu time spent up to now is 411.1 secs Computing kpt #: 156 total cpu time spent up to now is 413.3 secs Computing kpt #: 157 total cpu time spent up to now is 415.5 secs Computing kpt #: 158 total cpu time spent up to now is 417.7 secs Computing kpt #: 159 total cpu time spent up to now is 419.8 secs Computing kpt #: 160 total cpu time spent up to now is 422.1 secs Computing kpt #: 161 total cpu time spent up to now is 424.3 secs Computing kpt #: 162 total cpu time spent up to now is 426.5 secs Computing kpt #: 163 total cpu time spent up to now is 428.8 secs Computing kpt #: 164 total cpu time spent up to now is 431.1 secs Computing kpt #: 165 total cpu time spent up to now is 433.3 secs Computing kpt #: 166 total cpu time spent up to now is 435.4 secs Computing kpt #: 167 total cpu time spent up to now is 437.7 secs Computing kpt #: 168 total cpu time spent up to now is 439.9 secs Computing kpt #: 169 total cpu time spent up to now is 442.1 secs Computing kpt #: 170 total cpu time spent up to now is 444.3 secs Computing kpt #: 171 total cpu time spent up to now is 446.5 secs Computing kpt #: 172 total cpu time spent up to now is 448.7 secs Computing kpt #: 173 total cpu time spent up to now is 450.9 secs Computing kpt #: 174 total cpu time spent up to now is 453.0 secs Computing kpt #: 175 total cpu time spent up to now is 455.3 secs Computing kpt #: 176 total cpu time spent up to now is 457.4 secs Computing kpt #: 177 total cpu time spent up to now is 459.6 secs Computing kpt #: 178 total cpu time spent up to now is 461.8 secs Computing kpt #: 179 total cpu time spent up to now is 464.0 secs Computing kpt #: 180 total cpu time spent up to now is 466.2 secs Computing kpt #: 181 total cpu time spent up to now is 468.4 secs Computing kpt #: 182 total cpu time spent up to now is 470.6 secs Computing kpt #: 183 total cpu time spent up to now is 472.8 secs Computing kpt #: 184 total cpu time spent up to now is 475.0 secs Computing kpt #: 185 total cpu time spent up to now is 477.2 secs Computing kpt #: 186 total cpu time spent up to now is 479.5 secs Computing kpt #: 187 total cpu time spent up to now is 482.0 secs Computing kpt #: 188 total cpu time spent up to now is 484.4 secs Computing kpt #: 189 total cpu time spent up to now is 486.6 secs Computing kpt #: 190 total cpu time spent up to now is 488.9 secs Computing kpt #: 191 total cpu time spent up to now is 491.1 secs Computing kpt #: 192 total cpu time spent up to now is 493.3 secs Computing kpt #: 193 total cpu time spent up to now is 495.5 secs Computing kpt #: 194 total cpu time spent up to now is 497.7 secs Computing kpt #: 195 total cpu time spent up to now is 499.9 secs Computing kpt #: 196 total cpu time spent up to now is 502.1 secs Computing kpt #: 197 total cpu time spent up to now is 504.3 secs Computing kpt #: 198 total cpu time spent up to now is 506.6 secs Computing kpt #: 199 total cpu time spent up to now is 508.8 secs Computing kpt #: 200 total cpu time spent up to now is 511.0 secs Computing kpt #: 201 total cpu time spent up to now is 513.3 secs Computing kpt #: 202 total cpu time spent up to now is 515.4 secs Computing kpt #: 203 total cpu time spent up to now is 517.6 secs Computing kpt #: 204 total cpu time spent up to now is 519.7 secs Computing kpt #: 205 total cpu time spent up to now is 521.9 secs Computing kpt #: 206 total cpu time spent up to now is 524.0 secs Computing kpt #: 207 total cpu time spent up to now is 526.1 secs Computing kpt #: 208 total cpu time spent up to now is 528.2 secs Computing kpt #: 209 total cpu time spent up to now is 530.3 secs Computing kpt #: 210 total cpu time spent up to now is 532.5 secs Computing kpt #: 211 total cpu time spent up to now is 534.6 secs Computing kpt #: 212 total cpu time spent up to now is 536.7 secs Computing kpt #: 213 total cpu time spent up to now is 538.8 secs Computing kpt #: 214 total cpu time spent up to now is 540.9 secs Computing kpt #: 215 total cpu time spent up to now is 543.1 secs Computing kpt #: 216 total cpu time spent up to now is 545.2 secs Computing kpt #: 217 total cpu time spent up to now is 547.3 secs Computing kpt #: 218 total cpu time spent up to now is 549.4 secs Computing kpt #: 219 total cpu time spent up to now is 551.6 secs Computing kpt #: 220 total cpu time spent up to now is 553.7 secs Computing kpt #: 221 total cpu time spent up to now is 555.8 secs Computing kpt #: 222 total cpu time spent up to now is 558.0 secs Computing kpt #: 223 total cpu time spent up to now is 560.1 secs Computing kpt #: 224 total cpu time spent up to now is 562.3 secs Computing kpt #: 225 total cpu time spent up to now is 564.5 secs Computing kpt #: 226 total cpu time spent up to now is 566.7 secs Computing kpt #: 227 total cpu time spent up to now is 568.9 secs Computing kpt #: 228 total cpu time spent up to now is 571.4 secs Computing kpt #: 229 total cpu time spent up to now is 573.9 secs Computing kpt #: 230 total cpu time spent up to now is 576.4 secs Computing kpt #: 231 total cpu time spent up to now is 578.9 secs Computing kpt #: 232 total cpu time spent up to now is 581.4 secs Computing kpt #: 233 total cpu time spent up to now is 583.8 secs Computing kpt #: 234 total cpu time spent up to now is 586.3 secs Computing kpt #: 235 total cpu time spent up to now is 588.8 secs Computing kpt #: 236 total cpu time spent up to now is 591.3 secs Computing kpt #: 237 total cpu time spent up to now is 593.8 secs Computing kpt #: 238 total cpu time spent up to now is 596.3 secs Computing kpt #: 239 total cpu time spent up to now is 598.8 secs Computing kpt #: 240 total cpu time spent up to now is 601.3 secs Computing kpt #: 241 total cpu time spent up to now is 603.8 secs Computing kpt #: 242 total cpu time spent up to now is 606.3 secs Computing kpt #: 243 total cpu time spent up to now is 609.0 secs Computing kpt #: 244 total cpu time spent up to now is 611.5 secs Computing kpt #: 245 total cpu time spent up to now is 614.0 secs Computing kpt #: 246 total cpu time spent up to now is 616.6 secs Computing kpt #: 247 total cpu time spent up to now is 619.0 secs Computing kpt #: 248 total cpu time spent up to now is 621.5 secs Computing kpt #: 249 total cpu time spent up to now is 623.9 secs Computing kpt #: 250 total cpu time spent up to now is 626.5 secs Computing kpt #: 251 total cpu time spent up to now is 628.9 secs Computing kpt #: 252 total cpu time spent up to now is 631.4 secs Computing kpt #: 253 total cpu time spent up to now is 634.0 secs Computing kpt #: 254 total cpu time spent up to now is 636.5 secs Computing kpt #: 255 total cpu time spent up to now is 639.1 secs Computing kpt #: 256 total cpu time spent up to now is 641.6 secs Computing kpt #: 257 total cpu time spent up to now is 644.1 secs Computing kpt #: 258 total cpu time spent up to now is 646.7 secs Computing kpt #: 259 total cpu time spent up to now is 649.3 secs Computing kpt #: 260 total cpu time spent up to now is 651.9 secs Computing kpt #: 261 total cpu time spent up to now is 654.5 secs Computing kpt #: 262 total cpu time spent up to now is 657.1 secs Computing kpt #: 263 total cpu time spent up to now is 659.8 secs Computing kpt #: 264 total cpu time spent up to now is 662.6 secs Computing kpt #: 265 total cpu time spent up to now is 665.4 secs Computing kpt #: 266 total cpu time spent up to now is 668.2 secs Computing kpt #: 267 total cpu time spent up to now is 671.0 secs Computing kpt #: 268 total cpu time spent up to now is 673.7 secs Computing kpt #: 269 total cpu time spent up to now is 676.5 secs Computing kpt #: 270 total cpu time spent up to now is 679.3 secs Computing kpt #: 271 total cpu time spent up to now is 682.1 secs Computing kpt #: 272 total cpu time spent up to now is 684.9 secs Computing kpt #: 273 total cpu time spent up to now is 687.7 secs Computing kpt #: 274 total cpu time spent up to now is 690.5 secs Computing kpt #: 275 total cpu time spent up to now is 693.3 secs Computing kpt #: 276 total cpu time spent up to now is 696.0 secs Computing kpt #: 277 total cpu time spent up to now is 698.7 secs Computing kpt #: 278 total cpu time spent up to now is 701.4 secs Computing kpt #: 279 total cpu time spent up to now is 704.0 secs Computing kpt #: 280 total cpu time spent up to now is 706.6 secs Computing kpt #: 281 total cpu time spent up to now is 709.3 secs Computing kpt #: 282 total cpu time spent up to now is 711.8 secs Computing kpt #: 283 total cpu time spent up to now is 714.4 secs Computing kpt #: 284 total cpu time spent up to now is 716.9 secs Computing kpt #: 285 total cpu time spent up to now is 719.5 secs Computing kpt #: 286 total cpu time spent up to now is 722.1 secs Computing kpt #: 287 total cpu time spent up to now is 724.7 secs Computing kpt #: 288 total cpu time spent up to now is 727.2 secs Computing kpt #: 289 total cpu time spent up to now is 729.7 secs Computing kpt #: 290 total cpu time spent up to now is 732.2 secs Computing kpt #: 291 total cpu time spent up to now is 734.7 secs Computing kpt #: 292 total cpu time spent up to now is 737.2 secs Computing kpt #: 293 total cpu time spent up to now is 739.7 secs Computing kpt #: 294 total cpu time spent up to now is 742.2 secs Computing kpt #: 295 total cpu time spent up to now is 744.7 secs Computing kpt #: 296 total cpu time spent up to now is 747.3 secs Computing kpt #: 297 total cpu time spent up to now is 749.7 secs Computing kpt #: 298 total cpu time spent up to now is 752.2 secs Computing kpt #: 299 total cpu time spent up to now is 754.7 secs Computing kpt #: 300 total cpu time spent up to now is 757.2 secs Computing kpt #: 301 total cpu time spent up to now is 759.7 secs Computing kpt #: 302 total cpu time spent up to now is 762.2 secs Computing kpt #: 303 total cpu time spent up to now is 764.6 secs Computing kpt #: 304 total cpu time spent up to now is 767.1 secs Computing kpt #: 305 total cpu time spent up to now is 769.6 secs Computing kpt #: 306 total cpu time spent up to now is 771.8 secs Computing kpt #: 307 total cpu time spent up to now is 774.0 secs Computing kpt #: 308 total cpu time spent up to now is 776.2 secs Computing kpt #: 309 total cpu time spent up to now is 778.4 secs Computing kpt #: 310 total cpu time spent up to now is 780.6 secs Computing kpt #: 311 total cpu time spent up to now is 782.8 secs Computing kpt #: 312 total cpu time spent up to now is 785.0 secs Computing kpt #: 313 total cpu time spent up to now is 787.2 secs Computing kpt #: 314 total cpu time spent up to now is 789.4 secs Computing kpt #: 315 total cpu time spent up to now is 791.6 secs Computing kpt #: 316 total cpu time spent up to now is 793.8 secs Computing kpt #: 317 total cpu time spent up to now is 796.0 secs Computing kpt #: 318 total cpu time spent up to now is 798.1 secs Computing kpt #: 319 total cpu time spent up to now is 800.4 secs Computing kpt #: 320 total cpu time spent up to now is 802.6 secs Computing kpt #: 321 total cpu time spent up to now is 804.8 secs Computing kpt #: 322 total cpu time spent up to now is 807.2 secs Computing kpt #: 323 total cpu time spent up to now is 809.4 secs Computing kpt #: 324 total cpu time spent up to now is 811.6 secs Computing kpt #: 325 total cpu time spent up to now is 814.4 secs Computing kpt #: 326 total cpu time spent up to now is 817.1 secs Computing kpt #: 327 total cpu time spent up to now is 819.9 secs Computing kpt #: 328 total cpu time spent up to now is 822.7 secs Computing kpt #: 329 total cpu time spent up to now is 825.5 secs Computing kpt #: 330 total cpu time spent up to now is 828.3 secs Computing kpt #: 331 total cpu time spent up to now is 831.1 secs Computing kpt #: 332 total cpu time spent up to now is 833.8 secs Computing kpt #: 333 total cpu time spent up to now is 836.6 secs Computing kpt #: 334 total cpu time spent up to now is 839.5 secs Computing kpt #: 335 total cpu time spent up to now is 842.2 secs Computing kpt #: 336 total cpu time spent up to now is 845.0 secs Computing kpt #: 337 total cpu time spent up to now is 847.8 secs ethr = 2.63E-11, avg # of iterations = 22.3 total cpu time spent up to now is 847.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3145 PWs) bands (ev): -38.9424 -38.9424 -38.8412 -38.8412 -18.1884 -18.1884 -17.9207 -17.9207 -16.5584 -16.5584 -16.1953 -16.1953 -16.1879 -16.1879 -16.0741 -16.0741 -7.1860 -7.1860 -6.9435 -6.9435 3.4109 3.4109 4.5997 4.5997 5.8650 5.8650 5.9448 5.9448 6.0024 6.0024 6.0856 6.0856 7.8743 7.8743 9.0708 9.0708 10.8079 10.8079 10.8718 10.8718 11.2352 11.2352 11.4250 11.4250 11.4590 11.4590 k = 0.0093-0.0232-0.0137 ( 3145 PWs) bands (ev): -38.9423 -38.9423 -38.8412 -38.8412 -18.1885 -18.1885 -17.9209 -17.9209 -16.5585 -16.5585 -16.1975 -16.1975 -16.1860 -16.1860 -16.0743 -16.0743 -7.1856 -7.1856 -6.9431 -6.9431 3.4120 3.4120 4.6004 4.6004 5.8636 5.8636 5.9434 5.9434 6.0001 6.0001 6.0832 6.0832 7.8764 7.8764 9.0703 9.0703 10.8064 10.8064 10.8703 10.8703 11.2363 11.2363 11.4266 11.4266 11.4606 11.4606 k = 0.0185-0.0465-0.0275 ( 3143 PWs) bands (ev): -38.9421 -38.9421 -38.8412 -38.8412 -18.1885 -18.1885 -17.9214 -17.9214 -16.5585 -16.5585 -16.2018 -16.2018 -16.1826 -16.1826 -16.0751 -16.0751 -7.1842 -7.1842 -6.9421 -6.9421 3.4153 3.4153 4.6022 4.6022 5.8591 5.8591 5.9392 5.9392 5.9927 5.9927 6.0768 6.0768 7.8826 7.8826 9.0690 9.0690 10.8015 10.8015 10.8667 10.8667 11.2394 11.2394 11.4312 11.4312 11.4652 11.4652 k = 0.0278-0.0697-0.0412 ( 3137 PWs) bands (ev): -38.9419 -38.9419 -38.8410 -38.8410 -18.1886 -18.1886 -17.9222 -17.9222 -16.5586 -16.5586 -16.2067 -16.2067 -16.1792 -16.1792 -16.0764 -16.0764 -7.1818 -7.1818 -6.9405 -6.9405 3.4207 3.4207 4.6052 4.6052 5.8513 5.8513 5.9328 5.9328 5.9790 5.9790 6.0677 6.0677 7.8927 7.8927 9.0668 9.0668 10.7915 10.7915 10.8628 10.8628 11.2445 11.2445 11.4387 11.4387 11.4729 11.4729 k = 0.0370-0.0930-0.0550 ( 3144 PWs) bands (ev): -38.9415 -38.9415 -38.8409 -38.8409 -18.1888 -18.1888 -17.9233 -17.9233 -16.5587 -16.5587 -16.2120 -16.2120 -16.1761 -16.1761 -16.0782 -16.0782 -7.1786 -7.1786 -6.9382 -6.9382 3.4283 3.4283 4.6093 4.6093 5.8394 5.8394 5.9249 5.9249 5.9577 5.9577 6.0578 6.0578 7.9064 7.9064 9.0638 9.0638 10.7752 10.7752 10.8605 10.8605 11.2513 11.2513 11.4490 11.4490 11.4833 11.4833 k = 0.0463-0.1162-0.0687 ( 3151 PWs) bands (ev): -38.9411 -38.9411 -38.8408 -38.8408 -18.1889 -18.1889 -17.9248 -17.9248 -16.5589 -16.5589 -16.2177 -16.2177 -16.1732 -16.1732 -16.0804 -16.0804 -7.1744 -7.1744 -6.9352 -6.9352 3.4380 3.4380 4.6146 4.6146 5.8227 5.8227 5.9159 5.9159 5.9284 5.9284 6.0482 6.0482 7.9232 7.9232 9.0600 9.0600 10.7523 10.7523 10.8605 10.8605 11.2595 11.2595 11.4618 11.4618 11.4963 11.4963 k = 0.0556-0.1395-0.0825 ( 3160 PWs) bands (ev): -38.9405 -38.9405 -38.8407 -38.8407 -18.1892 -18.1892 -17.9265 -17.9265 -16.5591 -16.5591 -16.2236 -16.2236 -16.1707 -16.1707 -16.0832 -16.0832 -7.1693 -7.1693 -6.9316 -6.9316 3.4498 3.4498 4.6210 4.6210 5.8009 5.8009 5.8903 5.8903 5.9076 5.9076 6.0392 6.0392 7.9426 7.9426 9.0556 9.0556 10.7236 10.7236 10.8630 10.8630 11.2686 11.2686 11.4769 11.4769 11.5117 11.5117 k = 0.0648-0.1627-0.0962 ( 3168 PWs) bands (ev): -38.9398 -38.9398 -38.8405 -38.8405 -18.1894 -18.1894 -17.9286 -17.9286 -16.5593 -16.5593 -16.2298 -16.2298 -16.1685 -16.1685 -16.0863 -16.0863 -7.1634 -7.1634 -6.9273 -6.9273 3.4635 3.4635 4.6284 4.6284 5.7737 5.7737 5.8465 5.8465 5.8985 5.8985 6.0306 6.0306 7.9641 7.9641 9.0507 9.0507 10.6899 10.6899 10.8674 10.8674 11.2782 11.2782 11.4942 11.4942 11.5294 11.5294 k = 0.0741-0.1859-0.1100 ( 3170 PWs) bands (ev): -38.9391 -38.9391 -38.8403 -38.8403 -18.1897 -18.1897 -17.9310 -17.9310 -16.5595 -16.5595 -16.2362 -16.2362 -16.1667 -16.1667 -16.0898 -16.0898 -7.1565 -7.1565 -6.9224 -6.9224 3.4791 3.4791 4.6367 4.6367 5.7410 5.7410 5.7973 5.7973 5.8895 5.8895 6.0219 6.0219 7.9873 7.9873 9.0453 9.0453 10.6522 10.6522 10.8738 10.8738 11.2876 11.2876 11.5137 11.5137 11.5491 11.5491 k = 0.0833-0.2092-0.1237 ( 3169 PWs) bands (ev): -38.9382 -38.9382 -38.8400 -38.8400 -18.1901 -18.1901 -17.9337 -17.9337 -16.5598 -16.5598 -16.2428 -16.2428 -16.1654 -16.1654 -16.0936 -16.0936 -7.1489 -7.1489 -6.9169 -6.9169 3.4966 3.4966 4.6459 4.6459 5.7019 5.7019 5.7449 5.7449 5.8804 5.8804 6.0128 6.0128 8.0116 8.0116 9.0396 9.0396 10.6112 10.6112 10.8818 10.8818 11.2961 11.2961 11.5352 11.5352 11.5708 11.5708 k = 0.0926-0.2324-0.1375 ( 3167 PWs) bands (ev): -38.9372 -38.9372 -38.8397 -38.8397 -18.1905 -18.1905 -17.9366 -17.9366 -16.5601 -16.5601 -16.2497 -16.2497 -16.1645 -16.1645 -16.0977 -16.0977 -7.1404 -7.1404 -6.9108 -6.9108 3.5157 3.5157 4.6559 4.6559 5.6548 5.6548 5.6921 5.6921 5.8711 5.8711 6.0034 6.0034 8.0366 8.0366 9.0337 9.0337 10.5674 10.5674 10.8915 10.8915 11.3032 11.3032 11.5586 11.5586 11.5947 11.5947 k = 0.1019-0.2557-0.1512 ( 3165 PWs) bands (ev): -38.9360 -38.9360 -38.8394 -38.8394 -18.1909 -18.1909 -17.9399 -17.9399 -16.5604 -16.5604 -16.2567 -16.2567 -16.1642 -16.1642 -16.1019 -16.1019 -7.1312 -7.1312 -6.9041 -6.9041 3.5365 3.5365 4.6666 4.6666 5.5983 5.5983 5.6415 5.6415 5.8614 5.8614 5.9934 5.9934 8.0620 8.0620 9.0277 9.0277 10.5214 10.5214 10.9028 10.9028 11.3080 11.3080 11.5841 11.5841 11.6208 11.6208 k = 0.1111-0.2789-0.1650 ( 3165 PWs) bands (ev): -38.9349 -38.9349 -38.8390 -38.8390 -18.1914 -18.1914 -17.9434 -17.9434 -16.5608 -16.5608 -16.2640 -16.2640 -16.1644 -16.1644 -16.1063 -16.1063 -7.1211 -7.1211 -6.8968 -6.8968 3.5587 3.5587 4.6778 4.6778 5.5349 5.5349 5.5916 5.5916 5.8513 5.8513 5.9827 5.9827 8.0875 8.0875 9.0219 9.0219 10.4736 10.4736 10.9157 10.9157 11.3100 11.3100 11.6117 11.6117 11.6491 11.6491 k = 0.1204-0.3022-0.1787 ( 3171 PWs) bands (ev): -38.9336 -38.9336 -38.8387 -38.8387 -18.1920 -18.1920 -17.9473 -17.9473 -16.5612 -16.5612 -16.2713 -16.2713 -16.1653 -16.1653 -16.1106 -16.1106 -7.1104 -7.1104 -6.8890 -6.8890 3.5823 3.5823 4.6894 4.6894 5.4672 5.4672 5.5407 5.5407 5.8408 5.8408 5.9715 5.9715 8.1127 8.1127 9.0162 9.0162 10.4244 10.4244 10.9302 10.9302 11.3087 11.3087 11.6414 11.6414 11.6798 11.6798 k = 0.1296-0.3254-0.1925 ( 3179 PWs) bands (ev): -38.9323 -38.9323 -38.8383 -38.8383 -18.1926 -18.1926 -17.9514 -17.9514 -16.5616 -16.5616 -16.2789 -16.2789 -16.1670 -16.1670 -16.1147 -16.1147 -7.0990 -7.0990 -6.8806 -6.8806 3.6070 3.6070 4.7014 4.7014 5.3968 5.3968 5.4881 5.4881 5.8298 5.8298 5.9596 5.9596 8.1374 8.1374 9.0109 9.0109 10.3743 10.3743 10.9463 10.9463 11.3040 11.3040 11.6733 11.6733 11.7129 11.7129 k = 0.1389-0.3487-0.2062 ( 3179 PWs) bands (ev): -38.9309 -38.9309 -38.8380 -38.8380 -18.1932 -18.1932 -17.9557 -17.9557 -16.5620 -16.5620 -16.2865 -16.2865 -16.1695 -16.1695 -16.1185 -16.1185 -7.0869 -7.0869 -6.8718 -6.8718 3.6327 3.6327 4.7134 4.7134 5.3247 5.3247 5.4337 5.4337 5.8183 5.8183 5.9471 5.9471 8.1616 8.1616 9.0061 9.0061 10.3235 10.3235 10.9639 10.9639 11.2959 11.2959 11.7074 11.7074 11.7483 11.7483 k = 0.1481-0.3719-0.2200 ( 3180 PWs) bands (ev): -38.9293 -38.9293 -38.8376 -38.8376 -18.1939 -18.1939 -17.9603 -17.9603 -16.5624 -16.5624 -16.2943 -16.2943 -16.1728 -16.1728 -16.1220 -16.1220 -7.0742 -7.0742 -6.8624 -6.8624 3.6592 3.6592 4.7253 4.7253 5.2515 5.2515 5.3777 5.3777 5.8064 5.8064 5.9340 5.9340 8.1850 8.1850 9.0017 9.0017 10.2724 10.2724 10.9829 10.9829 11.2845 11.2845 11.7438 11.7438 11.7860 11.7860 k = 0.1574-0.3951-0.2337 ( 3180 PWs) bands (ev): -38.9277 -38.9277 -38.8372 -38.8372 -18.1946 -18.1946 -17.9651 -17.9651 -16.5629 -16.5629 -16.3021 -16.3021 -16.1770 -16.1770 -16.1251 -16.1251 -7.0610 -7.0610 -6.8527 -6.8527 3.6864 3.6864 4.7367 4.7367 5.1779 5.1779 5.3203 5.3203 5.7940 5.7940 5.9204 5.9204 8.2075 8.2075 8.9980 8.9980 10.2213 10.2213 11.0033 11.0033 11.2701 11.2701 11.7823 11.7823 11.8260 11.8260 k = 0.1667-0.4184-0.2475 ( 3182 PWs) bands (ev): -38.9261 -38.9261 -38.8367 -38.8367 -18.1954 -18.1954 -17.9702 -17.9702 -16.5634 -16.5634 -16.3101 -16.3101 -16.1820 -16.1820 -16.1279 -16.1279 -7.0472 -7.0472 -6.8425 -6.8425 3.7139 3.7139 4.7471 4.7471 5.1048 5.1048 5.2618 5.2618 5.7813 5.7813 5.9062 5.9062 8.2291 8.2291 8.9950 8.9950 10.1707 10.1707 11.0249 11.0249 11.2532 11.2532 11.8230 11.8230 11.8682 11.8682 k = 0.1759-0.4416-0.2612 ( 3184 PWs) bands (ev): -38.9244 -38.9244 -38.8363 -38.8363 -18.1962 -18.1962 -17.9755 -17.9755 -16.5639 -16.5639 -16.3180 -16.3180 -16.1877 -16.1877 -16.1303 -16.1303 -7.0329 -7.0329 -6.8319 -6.8319 3.7416 3.7416 4.7554 4.7554 5.0334 5.0334 5.2025 5.2025 5.7681 5.7681 5.8916 5.8916 8.2497 8.2497 8.9927 8.9927 10.1206 10.1206 11.0473 11.0473 11.2343 11.2343 11.8655 11.8655 11.9126 11.9126 k = 0.1852-0.4649-0.2750 ( 3187 PWs) bands (ev): -38.9226 -38.9226 -38.8359 -38.8359 -18.1970 -18.1970 -17.9809 -17.9809 -16.5644 -16.5644 -16.3260 -16.3260 -16.1939 -16.1939 -16.1325 -16.1325 -7.0182 -7.0182 -6.8209 -6.8209 3.7692 3.7692 4.7593 4.7593 4.9661 4.9661 5.1429 5.1429 5.7546 5.7546 5.8765 5.8765 8.2694 8.2694 8.9910 8.9910 10.0716 10.0716 11.0700 11.0700 11.2143 11.2143 11.9098 11.9098 11.9590 11.9590 k = 0.1944-0.4881-0.2887 ( 3192 PWs) bands (ev): -38.9207 -38.9207 -38.8355 -38.8355 -18.1979 -18.1979 -17.9866 -17.9866 -16.5649 -16.5649 -16.3341 -16.3341 -16.2006 -16.2006 -16.1345 -16.1345 -7.0031 -7.0031 -6.8096 -6.8096 3.7964 3.7964 4.7529 4.7529 4.9088 4.9088 5.0834 5.0834 5.7408 5.7408 5.8611 5.8611 8.2881 8.2881 8.9900 8.9900 10.0238 10.0238 11.0919 11.0919 11.1944 11.1944 11.9553 11.9553 12.0076 12.0076 k = 0.2037-0.5114-0.3025 ( 3193 PWs) bands (ev): -38.9188 -38.9188 -38.8351 -38.8351 -18.1988 -18.1988 -17.9924 -17.9924 -16.5655 -16.5655 -16.3421 -16.3421 -16.2076 -16.2076 -16.1364 -16.1364 -6.9876 -6.9876 -6.7981 -6.7981 3.8229 3.8229 4.7259 4.7259 4.8719 4.8719 5.0247 5.0247 5.7267 5.7267 5.8453 5.8453 8.3058 8.3058 8.9896 8.9896 9.9777 9.9777 11.1090 11.1090 11.1789 11.1789 12.0010 12.0010 12.0579 12.0579 k = 0.2130-0.5346-0.3162 ( 3191 PWs) bands (ev): -38.9169 -38.9169 -38.8347 -38.8347 -18.1998 -18.1998 -17.9984 -17.9984 -16.5660 -16.5660 -16.3501 -16.3501 -16.2149 -16.2149 -16.1382 -16.1382 -6.9719 -6.9719 -6.7862 -6.7862 3.8482 3.8482 4.6761 4.6761 4.8563 4.8563 4.9684 4.9684 5.7124 5.7124 5.8293 5.8293 8.3226 8.3226 8.9897 8.9897 9.9334 9.9334 11.1108 11.1108 11.1783 11.1783 12.0454 12.0454 12.1098 12.1098 k = 0.2222-0.5578-0.3300 ( 3198 PWs) bands (ev): -38.9149 -38.9149 -38.8343 -38.8343 -18.2007 -18.2007 -18.0045 -18.0045 -16.5666 -16.5666 -16.3581 -16.3581 -16.2222 -16.2222 -16.1401 -16.1401 -6.9558 -6.9558 -6.7742 -6.7742 3.8719 3.8719 4.6145 4.6145 4.8469 4.8469 4.9195 4.9195 5.6979 5.6979 5.8130 5.8130 8.3385 8.3385 8.9902 8.9902 9.8913 9.8913 11.0949 11.0949 11.1949 11.1949 12.0855 12.0855 12.1624 12.1624 k = 0.2315-0.5811-0.3437 ( 3198 PWs) bands (ev): -38.9129 -38.9129 -38.8339 -38.8339 -18.2017 -18.2017 -18.0108 -18.0108 -16.5672 -16.5672 -16.3661 -16.3661 -16.2296 -16.2296 -16.1419 -16.1419 -6.9396 -6.9396 -6.7620 -6.7620 3.8936 3.8936 4.5489 4.5489 4.8214 4.8214 4.8929 4.8929 5.6833 5.6833 5.7966 5.7966 8.3535 8.3535 8.9910 8.9910 9.8517 9.8517 11.0719 11.0719 11.2184 11.2184 12.1193 12.1193 12.2149 12.2149 k = 0.2407-0.6043-0.3575 ( 3200 PWs) bands (ev): -38.9108 -38.9108 -38.8335 -38.8335 -18.2027 -18.2027 -18.0171 -18.0171 -16.5679 -16.5679 -16.3740 -16.3740 -16.2370 -16.2370 -16.1438 -16.1438 -6.9232 -6.9232 -6.7497 -6.7497 3.9125 3.9125 4.4826 4.4826 4.7765 4.7765 4.8895 4.8895 5.6686 5.6686 5.7801 5.7801 8.3675 8.3675 8.9921 8.9921 9.8149 9.8149 11.0463 11.0463 11.2441 11.2441 12.1486 12.1486 12.2692 12.2692 k = 0.2500-0.6276-0.3712 ( 3197 PWs) bands (ev): -38.9086 -38.9086 -38.8332 -38.8332 -18.2038 -18.2038 -18.0236 -18.0236 -16.5685 -16.5685 -16.3818 -16.3818 -16.2443 -16.2443 -16.1457 -16.1457 -6.9067 -6.9067 -6.7374 -6.7374 3.9278 3.9278 4.4174 4.4174 4.7273 4.7273 4.8935 4.8935 5.6539 5.6539 5.7636 5.7636 8.3807 8.3807 8.9933 8.9933 9.7810 9.7810 11.0196 11.0196 11.2705 11.2705 12.1770 12.1770 12.3273 12.3273 k = 0.2593-0.6508-0.3850 ( 3199 PWs) bands (ev): -38.9065 -38.9065 -38.8328 -38.8328 -18.2048 -18.2048 -18.0301 -18.0301 -16.5691 -16.5691 -16.3896 -16.3896 -16.2515 -16.2515 -16.1477 -16.1477 -6.8901 -6.8901 -6.7250 -6.7250 3.9387 3.9387 4.3540 4.3540 4.6796 4.6796 4.8993 4.8993 5.6392 5.6392 5.7470 5.7470 8.3929 8.3929 8.9948 8.9948 9.7503 9.7503 10.9924 10.9924 11.2969 11.2969 12.2070 12.2070 12.3892 12.3892 k = 0.2685-0.6741-0.3987 ( 3200 PWs) bands (ev): -38.9044 -38.9044 -38.8325 -38.8325 -18.2058 -18.2058 -18.0367 -18.0367 -16.5698 -16.5698 -16.3973 -16.3973 -16.2585 -16.2585 -16.1498 -16.1498 -6.8734 -6.8734 -6.7126 -6.7126 3.9440 3.9440 4.2932 4.2932 4.6353 4.6353 4.9055 4.9055 5.6246 5.6246 5.7306 5.7306 8.4041 8.4041 8.9965 8.9965 9.7229 9.7229 10.9650 10.9650 11.3230 11.3230 12.2399 12.2399 12.4544 12.4544 k = 0.2778-0.6973-0.4125 ( 3204 PWs) bands (ev): -38.9023 -38.9023 -38.8322 -38.8322 -18.2068 -18.2068 -18.0433 -18.0433 -16.5705 -16.5705 -16.4050 -16.4050 -16.2652 -16.2652 -16.1519 -16.1519 -6.8569 -6.8569 -6.7003 -6.7003 3.9425 3.9425 4.2357 4.2357 4.5960 4.5960 4.9114 4.9114 5.6101 5.6101 5.7143 5.7143 8.4140 8.4140 8.9986 8.9986 9.6988 9.6988 10.9377 10.9377 11.3486 11.3486 12.2766 12.2766 12.5226 12.5226 k = 0.2870-0.7205-0.4262 ( 3208 PWs) bands (ev): -38.9001 -38.9001 -38.8320 -38.8320 -18.2078 -18.2078 -18.0500 -18.0500 -16.5711 -16.5711 -16.4125 -16.4125 -16.2717 -16.2717 -16.1540 -16.1540 -6.8403 -6.8403 -6.6881 -6.6881 3.9330 3.9330 4.1820 4.1820 4.5625 4.5625 4.9167 4.9167 5.5958 5.5958 5.6982 5.6982 8.4227 8.4227 9.0013 9.0013 9.6780 9.6780 10.9105 10.9105 11.3735 11.3735 12.3172 12.3172 12.5935 12.5935 k = 0.2963-0.7438-0.4400 ( 3201 PWs) bands (ev): -38.8980 -38.8980 -38.8317 -38.8317 -18.2087 -18.2087 -18.0566 -18.0566 -16.5718 -16.5718 -16.4199 -16.4199 -16.2779 -16.2779 -16.1563 -16.1563 -6.8239 -6.8239 -6.6761 -6.6761 3.9149 3.9149 4.1323 4.1323 4.5357 4.5357 4.9213 4.9213 5.5817 5.5817 5.6823 5.6823 8.4298 8.4298 9.0050 9.0050 9.6604 9.6604 10.8837 10.8837 11.3975 11.3975 12.3619 12.3619 12.6665 12.6665 k = 0.3056-0.7670-0.4537 ( 3200 PWs) bands (ev): -38.8958 -38.8958 -38.8315 -38.8315 -18.2096 -18.2096 -18.0632 -18.0632 -16.5725 -16.5725 -16.4272 -16.4272 -16.2837 -16.2837 -16.1585 -16.1585 -6.8077 -6.8077 -6.6644 -6.6644 3.8887 3.8887 4.0862 4.0862 4.5157 4.5157 4.9250 4.9250 5.5678 5.5678 5.6668 5.6668 8.4352 8.4352 9.0100 9.0100 9.6456 9.6456 10.8573 10.8573 11.4204 11.4204 12.4108 12.4108 12.7412 12.7412 k = 0.3148-0.7903-0.4675 ( 3199 PWs) bands (ev): -38.8937 -38.8937 -38.8313 -38.8313 -18.2105 -18.2105 -18.0698 -18.0698 -16.5731 -16.5731 -16.4344 -16.4344 -16.2891 -16.2891 -16.1608 -16.1608 -6.7917 -6.7917 -6.6529 -6.6529 3.8558 3.8558 4.0428 4.0428 4.5024 4.5024 4.9278 4.9278 5.5543 5.5543 5.6516 5.6516 8.4388 8.4388 9.0167 9.0167 9.6335 9.6335 10.8316 10.8316 11.4422 11.4422 12.4638 12.4638 12.8168 12.8168 k = 0.3241-0.8135-0.4812 ( 3201 PWs) bands (ev): -38.8916 -38.8916 -38.8312 -38.8312 -18.2112 -18.2112 -18.0763 -18.0763 -16.5738 -16.5738 -16.4415 -16.4415 -16.2942 -16.2942 -16.1631 -16.1631 -6.7759 -6.7759 -6.6418 -6.6418 3.8185 3.8185 4.0009 4.0009 4.4950 4.4950 4.9298 4.9298 5.5411 5.5411 5.6368 5.6368 8.4404 8.4404 9.0253 9.0253 9.6238 9.6238 10.8066 10.8066 11.4629 11.4629 12.5208 12.5208 12.8928 12.8928 k = 0.3333-0.8368-0.4950 ( 3202 PWs) bands (ev): -38.8895 -38.8895 -38.8311 -38.8311 -18.2120 -18.2120 -18.0827 -18.0827 -16.5743 -16.5743 -16.4485 -16.4485 -16.2989 -16.2989 -16.1655 -16.1655 -6.7605 -6.7605 -6.6310 -6.6310 3.7786 3.7786 3.9598 3.9598 4.4924 4.4924 4.9307 4.9307 5.5283 5.5283 5.6225 5.6225 8.4400 8.4400 9.0363 9.0363 9.6159 9.6159 10.7824 10.7824 11.4823 11.4823 12.5816 12.5816 12.9689 12.9689 k = 0.3426-0.8600-0.5087 ( 3202 PWs) bands (ev): -38.8875 -38.8875 -38.8311 -38.8311 -18.2126 -18.2126 -18.0890 -18.0890 -16.5749 -16.5749 -16.4553 -16.4553 -16.3032 -16.3032 -16.1678 -16.1678 -6.7454 -6.7454 -6.6207 -6.6207 3.7380 3.7380 3.9191 3.9191 4.4936 4.4936 4.9308 4.9308 5.5159 5.5159 5.6086 5.6086 8.4376 8.4376 9.0497 9.0497 9.6097 9.6097 10.7591 10.7591 11.5004 11.5004 12.6460 12.6460 13.0449 13.0449 k = 0.3519-0.8832-0.5225 ( 3203 PWs) bands (ev): -38.8855 -38.8855 -38.8311 -38.8311 -18.2132 -18.2132 -18.0952 -18.0952 -16.5754 -16.5754 -16.4619 -16.4619 -16.3071 -16.3071 -16.1701 -16.1701 -6.7307 -6.7307 -6.6109 -6.6109 3.6976 3.6976 3.8788 3.8788 4.4976 4.4976 4.9299 4.9299 5.5040 5.5040 5.5954 5.5954 8.4333 8.4333 9.0656 9.0656 9.6046 9.6046 10.7369 10.7369 11.5172 11.5172 12.7138 12.7138 13.1208 13.1208 k = 0.3611-0.9065-0.5362 ( 3202 PWs) bands (ev): -38.8835 -38.8835 -38.8311 -38.8311 -18.2137 -18.2137 -18.1012 -18.1012 -16.5758 -16.5758 -16.4684 -16.4684 -16.3106 -16.3106 -16.1724 -16.1724 -6.7164 -6.7164 -6.6015 -6.6015 3.6585 3.6585 3.8391 3.8391 4.5037 4.5037 4.9282 4.9282 5.4927 5.4927 5.5827 5.5827 8.4275 8.4275 9.0839 9.0839 9.6003 9.6003 10.7156 10.7156 11.5328 11.5328 12.7847 12.7847 13.1963 13.1963 k = 0.3704-0.9297-0.5500 ( 3204 PWs) bands (ev): -38.8816 -38.8816 -38.8311 -38.8311 -18.2141 -18.2141 -18.1071 -18.1071 -16.5762 -16.5762 -16.4746 -16.4746 -16.3137 -16.3137 -16.1747 -16.1747 -6.7027 -6.7027 -6.5928 -6.5928 3.6209 3.6209 3.8004 3.8004 4.5112 4.5112 4.9256 4.9256 5.4819 5.4819 5.5706 5.5706 8.4203 8.4203 9.1045 9.1045 9.5966 9.5966 10.6956 10.6956 11.5470 11.5470 12.8584 12.8584 13.2711 13.2711 k = 0.3796-0.9530-0.5637 ( 3202 PWs) bands (ev): -38.8798 -38.8798 -38.8312 -38.8312 -18.2144 -18.2144 -18.1127 -18.1127 -16.5765 -16.5765 -16.4807 -16.4807 -16.3165 -16.3165 -16.1769 -16.1769 -6.6895 -6.6895 -6.5846 -6.5846 3.5855 3.5855 3.7630 3.7630 4.5195 4.5195 4.9223 4.9223 5.4717 5.4717 5.5592 5.5592 8.4121 8.4121 9.1270 9.1270 9.5930 9.5930 10.6767 10.6767 11.5601 11.5601 12.9347 12.9347 13.3451 13.3451 k = 0.3889-0.9762-0.5775 ( 3207 PWs) bands (ev): -38.8781 -38.8781 -38.8313 -38.8313 -18.2146 -18.2146 -18.1182 -18.1182 -16.5767 -16.5767 -16.4865 -16.4865 -16.3189 -16.3189 -16.1791 -16.1791 -6.6769 -6.6769 -6.5771 -6.5771 3.5523 3.5523 3.7272 3.7272 4.5284 4.5284 4.9184 4.9184 5.4621 5.4621 5.5485 5.5485 8.4031 8.4031 9.1511 9.1511 9.5894 9.5894 10.6590 10.6590 11.5719 11.5719 13.0131 13.0131 13.4176 13.4176 k = 0.3981-0.9995-0.5912 ( 3212 PWs) bands (ev): -38.8764 -38.8764 -38.8315 -38.8315 -18.2146 -18.2146 -18.1234 -18.1234 -16.5768 -16.5768 -16.4920 -16.4920 -16.3210 -16.3210 -16.1811 -16.1811 -6.6650 -6.6650 -6.5702 -6.5702 3.5215 3.5215 3.6932 3.6932 4.5376 4.5376 4.9139 4.9139 5.4531 5.4531 5.5386 5.5386 8.3938 8.3938 9.1765 9.1765 9.5856 9.5856 10.6426 10.6426 11.5826 11.5826 13.0933 13.0933 13.4885 13.4885 k = 0.4074-1.0227-0.6050 ( 3217 PWs) bands (ev): -38.8749 -38.8749 -38.8316 -38.8316 -18.2146 -18.2146 -18.1283 -18.1283 -16.5768 -16.5768 -16.4973 -16.4973 -16.3228 -16.3228 -16.1831 -16.1831 -6.6537 -6.6537 -6.5640 -6.5640 3.4934 3.4934 3.6612 3.6612 4.5467 4.5467 4.9090 4.9090 5.4449 5.4449 5.5294 5.5294 8.3844 8.3844 9.2027 9.2027 9.5813 9.5813 10.6275 10.6275 11.5921 11.5921 13.1750 13.1750 13.5573 13.5573 k = 0.4167-1.0460-0.6187 ( 3211 PWs) bands (ev): -38.8734 -38.8734 -38.8318 -38.8318 -18.2145 -18.2145 -18.1329 -18.1329 -16.5767 -16.5767 -16.5023 -16.5023 -16.3243 -16.3243 -16.1849 -16.1849 -6.6432 -6.6432 -6.5585 -6.5585 3.4679 3.4679 3.6316 3.6316 4.5557 4.5557 4.9038 4.9038 5.4373 5.4373 5.5210 5.5210 8.3751 8.3751 9.2293 9.2293 9.5764 9.5764 10.6137 10.6137 11.6006 11.6006 13.2579 13.2579 13.6236 13.6236 k = 0.4259-1.0692-0.6325 ( 3213 PWs) bands (ev): -38.8720 -38.8720 -38.8320 -38.8320 -18.2143 -18.2143 -18.1372 -18.1372 -16.5765 -16.5765 -16.5069 -16.5069 -16.3256 -16.3256 -16.1866 -16.1866 -6.6336 -6.6336 -6.5536 -6.5536 3.4452 3.4452 3.6045 3.6045 4.5643 4.5643 4.8985 4.8985 5.4305 5.4305 5.5134 5.5134 8.3662 8.3662 9.2559 9.2559 9.5707 9.5707 10.6013 10.6013 11.6080 11.6080 13.3414 13.3414 13.6870 13.6870 k = 0.4352-1.0924-0.6462 ( 3216 PWs) bands (ev): -38.8708 -38.8708 -38.8322 -38.8322 -18.2141 -18.2141 -18.1411 -18.1411 -16.5763 -16.5763 -16.5111 -16.5111 -16.3266 -16.3266 -16.1882 -16.1882 -6.6248 -6.6248 -6.5495 -6.5495 3.4252 3.4252 3.5801 3.5801 4.5724 4.5724 4.8931 4.8931 5.4244 5.4244 5.5067 5.5067 8.3579 8.3579 9.2820 9.2820 9.5643 9.5643 10.5903 10.5903 11.6144 11.6144 13.4253 13.4253 13.7470 13.7470 k = 0.4444-1.1157-0.6599 ( 3219 PWs) bands (ev): -38.8697 -38.8697 -38.8324 -38.8324 -18.2138 -18.2138 -18.1447 -18.1447 -16.5759 -16.5759 -16.5149 -16.5149 -16.3275 -16.3275 -16.1896 -16.1896 -6.6169 -6.6169 -6.5460 -6.5460 3.4080 3.4080 3.5585 3.5585 4.5798 4.5798 4.8880 4.8880 5.4191 5.4191 5.5008 5.5008 8.3504 8.3504 9.3074 9.3074 9.5571 9.5571 10.5807 10.5807 11.6199 11.6199 13.5092 13.5092 13.8033 13.8033 k = 0.4537-1.1389-0.6737 ( 3219 PWs) bands (ev): -38.8687 -38.8687 -38.8326 -38.8326 -18.2134 -18.2134 -18.1477 -18.1477 -16.5756 -16.5756 -16.5183 -16.5183 -16.3282 -16.3282 -16.1908 -16.1908 -6.6101 -6.6101 -6.5432 -6.5432 3.3934 3.3934 3.5400 3.5400 4.5865 4.5865 4.8832 4.8832 5.4146 5.4146 5.4958 5.4958 8.3439 8.3439 9.3314 9.3314 9.5491 9.5491 10.5725 10.5725 11.6245 11.6245 13.5926 13.5926 13.8554 13.8554 k = 0.4630-1.1622-0.6874 ( 3209 PWs) bands (ev): -38.8679 -38.8679 -38.8327 -38.8327 -18.2131 -18.2131 -18.1503 -18.1503 -16.5752 -16.5752 -16.5211 -16.5211 -16.3287 -16.3287 -16.1918 -16.1918 -6.6043 -6.6043 -6.5410 -6.5410 3.3816 3.3816 3.5246 3.5246 4.5922 4.5922 4.8790 4.8790 5.4109 5.4109 5.4917 5.4917 8.3384 8.3384 9.3535 9.3535 9.5406 9.5406 10.5658 10.5658 11.6282 11.6282 13.6751 13.6751 13.9030 13.9030 k = 0.4722-1.1854-0.7012 ( 3210 PWs) bands (ev): -38.8672 -38.8672 -38.8329 -38.8329 -18.2128 -18.2128 -18.1524 -18.1524 -16.5748 -16.5748 -16.5234 -16.5234 -16.3291 -16.3291 -16.1926 -16.1926 -6.5998 -6.5998 -6.5393 -6.5393 3.3725 3.3725 3.5125 3.5125 4.5968 4.5968 4.8755 4.8755 5.4080 5.4080 5.4885 5.4885 8.3340 8.3340 9.3731 9.3731 9.5319 9.5319 10.5605 10.5605 11.6311 11.6311 13.7558 13.7558 13.9455 13.9455 k = 0.4815-1.2087-0.7149 ( 3210 PWs) bands (ev): -38.8668 -38.8668 -38.8330 -38.8330 -18.2126 -18.2126 -18.1539 -18.1539 -16.5745 -16.5745 -16.5251 -16.5251 -16.3293 -16.3293 -16.1932 -16.1932 -6.5964 -6.5964 -6.5382 -6.5382 3.3660 3.3660 3.5037 3.5037 4.6002 4.6002 4.8728 4.8728 5.4059 5.4059 5.4862 5.4862 8.3308 8.3308 9.3890 9.3890 9.5240 9.5240 10.5567 10.5567 11.6331 11.6331 13.8334 13.8334 13.9822 13.9822 k = 0.4907-1.2319-0.7287 ( 3200 PWs) bands (ev): -38.8665 -38.8665 -38.8330 -38.8330 -18.2124 -18.2124 -18.1549 -18.1549 -16.5743 -16.5743 -16.5261 -16.5261 -16.3295 -16.3295 -16.1935 -16.1935 -6.5944 -6.5944 -6.5375 -6.5375 3.3621 3.3621 3.4985 3.4985 4.6023 4.6023 4.8712 4.8712 5.4047 5.4047 5.4848 5.4848 8.3288 8.3288 9.3998 9.3998 9.5180 9.5180 10.5545 10.5545 11.6343 11.6343 13.9036 13.9036 14.0111 14.0111 k = 0.5000-1.2551-0.7424 ( 3202 PWs) bands (ev): -38.8664 -38.8664 -38.8330 -38.8330 -18.2123 -18.2123 -18.1552 -18.1552 -16.5743 -16.5743 -16.5265 -16.5265 -16.3295 -16.3295 -16.1936 -16.1936 -6.5937 -6.5937 -6.5373 -6.5373 3.3609 3.3609 3.4967 3.4967 4.6030 4.6030 4.8706 4.8706 5.4042 5.4042 5.4844 5.4844 8.3282 8.3282 9.4036 9.4036 9.5158 9.5158 10.5537 10.5537 11.6347 11.6347 13.9424 13.9424 14.0290 14.0290 k = 0.5000-1.2551-0.7424 ( 3202 PWs) bands (ev): -38.8664 -38.8664 -38.8330 -38.8330 -18.2123 -18.2123 -18.1552 -18.1552 -16.5743 -16.5743 -16.5265 -16.5265 -16.3295 -16.3295 -16.1936 -16.1936 -6.5937 -6.5937 -6.5373 -6.5373 3.3609 3.3609 3.4967 3.4967 4.6030 4.6030 4.8706 4.8706 5.4042 5.4042 5.4844 5.4844 8.3282 8.3282 9.4036 9.4036 9.5158 9.5158 10.5537 10.5537 11.6347 11.6347 13.9424 13.9424 14.0290 14.0290 k = 0.5000-1.2408-0.7667 ( 3204 PWs) bands (ev): -38.8664 -38.8664 -38.8330 -38.8330 -18.2123 -18.2123 -18.1552 -18.1552 -16.5744 -16.5744 -16.5264 -16.5264 -16.3297 -16.3297 -16.1938 -16.1938 -6.5936 -6.5936 -6.5372 -6.5372 3.3617 3.3617 3.4973 3.4973 4.6032 4.6032 4.8709 4.8709 5.4015 5.4015 5.4826 5.4826 8.3293 8.3293 9.4034 9.4034 9.5159 9.5159 10.5564 10.5564 11.6341 11.6341 13.9258 13.9258 13.9964 13.9964 k = 0.5000-1.2265-0.7909 ( 3212 PWs) bands (ev): -38.8663 -38.8663 -38.8331 -38.8331 -18.2123 -18.2123 -18.1553 -18.1553 -16.5746 -16.5746 -16.5260 -16.5260 -16.3300 -16.3300 -16.1943 -16.1943 -6.5931 -6.5931 -6.5368 -6.5368 3.3641 3.3641 3.4993 3.4993 4.6039 4.6039 4.8718 4.8718 5.3932 5.3932 5.4772 5.4772 8.3326 8.3326 9.4027 9.4027 9.5164 9.5164 10.5646 10.5646 11.6322 11.6322 13.8880 13.8880 13.9542 13.9542 k = 0.5000-1.2122-0.8151 ( 3210 PWs) bands (ev): -38.8661 -38.8661 -38.8331 -38.8331 -18.2122 -18.2122 -18.1555 -18.1555 -16.5751 -16.5751 -16.5254 -16.5254 -16.3305 -16.3305 -16.1951 -16.1951 -6.5923 -6.5923 -6.5360 -6.5360 3.3681 3.3681 3.5026 3.5026 4.6051 4.6051 4.8732 4.8732 5.3795 5.3795 5.4682 5.4682 8.3380 8.3380 9.4016 9.4016 9.5170 9.5170 10.5782 10.5782 11.6292 11.6292 13.8410 13.8410 13.9068 13.9068 k = 0.5000-1.1978-0.8393 ( 3206 PWs) bands (ev): -38.8659 -38.8659 -38.8331 -38.8331 -18.2121 -18.2121 -18.1558 -18.1558 -16.5758 -16.5758 -16.5245 -16.5245 -16.3313 -16.3313 -16.1962 -16.1962 -6.5912 -6.5912 -6.5350 -6.5350 3.3737 3.3737 3.5072 3.5072 4.6068 4.6068 4.8750 4.8750 5.3607 5.3607 5.4558 5.4558 8.3456 8.3456 9.4001 9.4001 9.5179 9.5179 10.5971 10.5971 11.6252 11.6252 13.7891 13.7891 13.8562 13.8562 k = 0.5000-1.1835-0.8635 ( 3206 PWs) bands (ev): -38.8656 -38.8656 -38.8332 -38.8332 -18.2119 -18.2119 -18.1561 -18.1561 -16.5766 -16.5766 -16.5235 -16.5235 -16.3323 -16.3323 -16.1976 -16.1976 -6.5899 -6.5899 -6.5338 -6.5338 3.3809 3.3809 3.5131 3.5131 4.6088 4.6088 4.8773 4.8773 5.3370 5.3370 5.4400 5.4400 8.3552 8.3552 9.3982 9.3982 9.5189 9.5189 10.6211 10.6211 11.6203 11.6203 13.7338 13.7338 13.8038 13.8038 k = 0.5000-1.1692-0.8877 ( 3210 PWs) bands (ev): -38.8653 -38.8653 -38.8333 -38.8333 -18.2117 -18.2117 -18.1565 -18.1565 -16.5776 -16.5776 -16.5222 -16.5222 -16.3335 -16.3335 -16.1994 -16.1994 -6.5882 -6.5882 -6.5323 -6.5323 3.3896 3.3896 3.5203 3.5203 4.6113 4.6113 4.8798 4.8798 5.3087 5.3087 5.4210 5.4210 8.3668 8.3668 9.3961 9.3961 9.5200 9.5200 10.6501 10.6501 11.6147 11.6147 13.6757 13.6757 13.7506 13.7506 k = 0.5000-1.1549-0.9120 ( 3208 PWs) bands (ev): -38.8649 -38.8649 -38.8334 -38.8334 -18.2115 -18.2115 -18.1570 -18.1570 -16.5787 -16.5787 -16.5207 -16.5207 -16.3349 -16.3349 -16.2013 -16.2013 -6.5863 -6.5863 -6.5305 -6.5305 3.3999 3.3999 3.5287 3.5287 4.6141 4.6141 4.8825 4.8825 5.2763 5.2763 5.3988 5.3988 8.3803 8.3803 9.3936 9.3936 9.5210 9.5210 10.6839 10.6839 11.6088 11.6088 13.6154 13.6154 13.6974 13.6974 k = 0.5000-1.1405-0.9362 ( 3216 PWs) bands (ev): -38.8646 -38.8646 -38.8335 -38.8335 -18.2112 -18.2112 -18.1575 -18.1575 -16.5800 -16.5800 -16.5189 -16.5189 -16.3366 -16.3366 -16.2036 -16.2036 -6.5840 -6.5840 -6.5286 -6.5286 3.4118 3.4118 3.5383 3.5383 4.6172 4.6172 4.8852 4.8852 5.2403 5.2403 5.3738 5.3738 8.3955 8.3955 9.3910 9.3910 9.5219 9.5219 10.7223 10.7223 11.6026 11.6026 13.5531 13.5531 13.6448 13.6448 k = 0.5000-1.1262-0.9604 ( 3216 PWs) bands (ev): -38.8641 -38.8641 -38.8336 -38.8336 -18.2109 -18.2109 -18.1582 -18.1582 -16.5814 -16.5814 -16.5170 -16.5170 -16.3384 -16.3384 -16.2060 -16.2060 -6.5816 -6.5816 -6.5264 -6.5264 3.4251 3.4251 3.5491 3.5491 4.6206 4.6206 4.8874 4.8874 5.2013 5.2013 5.3462 5.3462 8.4124 8.4124 9.3882 9.3882 9.5227 9.5227 10.7651 10.7651 11.5966 11.5966 13.4892 13.4892 13.5935 13.5935 k = 0.5000-1.1119-0.9846 ( 3212 PWs) bands (ev): -38.8635 -38.8635 -38.8338 -38.8338 -18.2106 -18.2106 -18.1589 -18.1589 -16.5829 -16.5829 -16.5149 -16.5149 -16.3404 -16.3404 -16.2086 -16.2086 -6.5789 -6.5789 -6.5241 -6.5241 3.4400 3.4400 3.5610 3.5610 4.6242 4.6242 4.8888 4.8888 5.1602 5.1602 5.3161 5.3161 8.4307 8.4307 9.3855 9.3855 9.5232 9.5232 10.8119 10.8119 11.5909 11.5909 13.4237 13.4237 13.5438 13.5438 k = 0.5000-1.0976-1.0088 ( 3208 PWs) bands (ev): -38.8629 -38.8629 -38.8339 -38.8339 -18.2103 -18.2103 -18.1596 -18.1596 -16.5845 -16.5845 -16.5127 -16.5127 -16.3427 -16.3427 -16.2114 -16.2114 -6.5759 -6.5759 -6.5216 -6.5216 3.4563 3.4563 3.5740 3.5740 4.6279 4.6279 4.8884 4.8884 5.1181 5.1181 5.2840 5.2840 8.4503 8.4503 9.3828 9.3828 9.5234 9.5234 10.8627 10.8627 11.5859 11.5859 13.3573 13.3573 13.4961 13.4961 k = 0.5000-1.0832-1.0331 ( 3208 PWs) bands (ev): -38.8622 -38.8622 -38.8341 -38.8341 -18.2099 -18.2099 -18.1605 -18.1605 -16.5861 -16.5861 -16.5103 -16.5103 -16.3451 -16.3451 -16.2144 -16.2144 -6.5728 -6.5728 -6.5190 -6.5190 3.4740 3.4740 3.5881 3.5881 4.6316 4.6316 4.8848 4.8848 5.0768 5.0768 5.2500 5.2500 8.4709 8.4709 9.3804 9.3804 9.5233 9.5233 10.9170 10.9170 11.5819 11.5819 13.2900 13.2900 13.4505 13.4505 k = 0.5000-1.0689-1.0573 ( 3206 PWs) bands (ev): -38.8616 -38.8616 -38.8343 -38.8343 -18.2094 -18.2094 -18.1614 -18.1614 -16.5879 -16.5879 -16.5077 -16.5077 -16.3477 -16.3477 -16.2174 -16.2174 -6.5695 -6.5695 -6.5162 -6.5162 3.4931 3.4931 3.6031 3.6031 4.6351 4.6351 4.8752 4.8752 5.0395 5.0395 5.2146 5.2146 8.4924 8.4924 9.3783 9.3783 9.5229 9.5229 10.9747 10.9747 11.5790 11.5790 13.2224 13.2224 13.4072 13.4072 k = 0.5000-1.0546-1.0815 ( 3210 PWs) bands (ev): -38.8609 -38.8609 -38.8345 -38.8345 -18.2090 -18.2090 -18.1624 -18.1624 -16.5897 -16.5897 -16.5050 -16.5050 -16.3505 -16.3505 -16.2205 -16.2205 -6.5660 -6.5660 -6.5134 -6.5134 3.5136 3.5136 3.6191 3.6191 4.6384 4.6384 4.8560 4.8560 5.0100 5.0100 5.1781 5.1781 8.5143 8.5143 9.3766 9.3766 9.5221 9.5221 11.0356 11.0356 11.5776 11.5776 13.1548 13.1548 13.3664 13.3664 k = 0.5000-1.0403-1.1057 ( 3210 PWs) bands (ev): -38.8601 -38.8601 -38.8348 -38.8348 -18.2085 -18.2085 -18.1635 -18.1635 -16.5915 -16.5915 -16.5021 -16.5021 -16.3534 -16.3534 -16.2236 -16.2236 -6.5623 -6.5623 -6.5106 -6.5106 3.5353 3.5353 3.6360 3.6360 4.6412 4.6412 4.8250 4.8250 4.9908 4.9908 5.1410 5.1410 8.5366 8.5366 9.3755 9.3755 9.5210 9.5210 11.0992 11.0992 11.5780 11.5780 13.0875 13.0875 13.3282 13.3282 k = 0.5000-1.0259-1.1299 ( 3212 PWs) bands (ev): -38.8593 -38.8593 -38.8351 -38.8351 -18.2080 -18.2080 -18.1646 -18.1646 -16.5933 -16.5933 -16.4992 -16.4992 -16.3565 -16.3565 -16.2268 -16.2268 -6.5586 -6.5586 -6.5078 -6.5078 3.5583 3.5583 3.6536 3.6536 4.6430 4.6430 4.7842 4.7842 4.9803 4.9803 5.1039 5.1039 8.5588 8.5588 9.3752 9.3752 9.5196 9.5196 11.1653 11.1653 11.5803 11.5803 13.0209 13.0209 13.2927 13.2927 k = 0.5000-1.0116-1.1541 ( 3210 PWs) bands (ev): -38.8584 -38.8584 -38.8354 -38.8354 -18.2074 -18.2074 -18.1658 -18.1658 -16.5952 -16.5952 -16.4961 -16.4961 -16.3597 -16.3597 -16.2299 -16.2299 -6.5547 -6.5547 -6.5050 -6.5050 3.5826 3.5826 3.6720 3.6720 4.6432 4.6432 4.7378 4.7378 4.9748 4.9748 5.0674 5.0674 8.5807 8.5807 9.3758 9.3758 9.5179 9.5179 11.2336 11.2336 11.5847 11.5847 12.9555 12.9555 13.2599 13.2599 k = 0.5000-0.9973-1.1784 ( 3208 PWs) bands (ev): -38.8576 -38.8576 -38.8357 -38.8357 -18.2068 -18.2068 -18.1671 -18.1671 -16.5970 -16.5970 -16.4930 -16.4930 -16.3630 -16.3630 -16.2329 -16.2329 -6.5508 -6.5508 -6.5023 -6.5023 3.6079 3.6079 3.6910 3.6910 4.6390 4.6390 4.6911 4.6911 4.9713 4.9713 5.0329 5.0329 8.6019 8.6019 9.3773 9.3773 9.5159 9.5159 11.3036 11.3036 11.5916 11.5916 12.8917 12.8917 13.2300 13.2300 k = 0.5000-0.9830-1.2026 ( 3212 PWs) bands (ev): -38.8567 -38.8567 -38.8361 -38.8361 -18.2061 -18.2061 -18.1684 -18.1684 -16.5988 -16.5988 -16.4898 -16.4898 -16.3665 -16.3665 -16.2359 -16.2359 -6.5468 -6.5468 -6.4996 -6.4996 3.6343 3.6343 3.7106 3.7106 4.6169 4.6169 4.6588 4.6588 4.9659 4.9659 5.0031 5.0031 8.6222 8.6222 9.3799 9.3799 9.5137 9.5137 11.3746 11.3746 11.6011 11.6011 12.8300 12.8300 13.2031 13.2031 k = 0.5000-0.9686-1.2268 ( 3216 PWs) bands (ev): -38.8558 -38.8558 -38.8366 -38.8366 -18.2055 -18.2055 -18.1698 -18.1698 -16.6005 -16.6005 -16.4866 -16.4866 -16.3700 -16.3700 -16.2387 -16.2387 -6.5428 -6.5428 -6.4971 -6.4971 3.6617 3.6617 3.7306 3.7306 4.5709 4.5709 4.6474 4.6474 4.9512 4.9512 4.9858 4.9858 8.6412 8.6412 9.3836 9.3836 9.5113 9.5113 11.4458 11.4458 11.6135 11.6135 12.7711 12.7711 13.1791 13.1791 k = 0.5000-0.9543-1.2510 ( 3218 PWs) bands (ev): -38.8548 -38.8548 -38.8371 -38.8371 -18.2047 -18.2047 -18.1712 -18.1712 -16.6022 -16.6022 -16.4834 -16.4834 -16.3735 -16.3735 -16.2414 -16.2414 -6.5389 -6.5389 -6.4948 -6.4948 3.6900 3.6900 3.7510 3.7510 4.5195 4.5195 4.6385 4.6385 4.9283 4.9283 4.9802 4.9802 8.6588 8.6588 9.3885 9.3885 9.5088 9.5088 11.5156 11.5156 11.6296 11.6296 12.7159 12.7159 13.1583 13.1583 k = 0.5000-0.9400-1.2752 ( 3216 PWs) bands (ev): -38.8538 -38.8538 -38.8375 -38.8375 -18.2040 -18.2040 -18.1727 -18.1727 -16.6038 -16.6038 -16.4802 -16.4802 -16.3770 -16.3770 -16.2439 -16.2439 -6.5350 -6.5350 -6.4926 -6.4926 3.7189 3.7189 3.7715 3.7715 4.4676 4.4676 4.6272 4.6272 4.9064 4.9064 4.9777 4.9777 8.6747 8.6747 9.3945 9.3945 9.5062 9.5062 11.5806 11.5806 11.6515 11.6515 12.6653 12.6653 13.1407 13.1407 k = 0.5000-0.9257-1.2994 ( 3212 PWs) bands (ev): -38.8528 -38.8528 -38.8381 -38.8381 -18.2032 -18.2032 -18.1742 -18.1742 -16.6053 -16.6053 -16.4771 -16.4771 -16.3805 -16.3805 -16.2462 -16.2462 -6.5312 -6.5312 -6.4907 -6.4907 3.7484 3.7484 3.7922 3.7922 4.4167 4.4167 4.6125 4.6125 4.8886 4.8886 4.9757 4.9757 8.6888 8.6888 9.4016 9.4016 9.5035 9.5035 11.6319 11.6319 11.6863 11.6863 12.6207 12.6207 13.1264 13.1264 k = 0.5000-0.9113-1.3237 ( 3214 PWs) bands (ev): -38.8518 -38.8518 -38.8387 -38.8387 -18.2023 -18.2023 -18.1757 -18.1757 -16.6067 -16.6067 -16.4741 -16.4741 -16.3838 -16.3838 -16.2483 -16.2483 -6.5275 -6.5275 -6.4891 -6.4891 3.7778 3.7778 3.8130 3.8130 4.3673 4.3673 4.5943 4.5943 4.8755 4.8755 4.9732 4.9732 8.7010 8.7010 9.4096 9.4096 9.5008 9.5008 11.6652 11.6652 11.7361 11.7361 12.5839 12.5839 13.1157 13.1157 k = 0.5000-0.8970-1.3479 ( 3214 PWs) bands (ev): -38.8508 -38.8508 -38.8393 -38.8393 -18.2015 -18.2015 -18.1772 -18.1772 -16.6079 -16.6079 -16.4712 -16.4712 -16.3870 -16.3870 -16.2502 -16.2502 -6.5239 -6.5239 -6.4877 -6.4877 3.8066 3.8066 3.8340 3.8340 4.3201 4.3201 4.5736 4.5736 4.8670 4.8670 4.9702 4.9702 8.7113 8.7113 9.4182 9.4182 9.4981 9.4981 11.6918 11.6918 11.7865 11.7865 12.5570 12.5570 13.1086 13.1086 k = 0.5000-0.8827-1.3721 ( 3216 PWs) bands (ev): -38.8498 -38.8498 -38.8400 -38.8400 -18.2006 -18.2006 -18.1787 -18.1787 -16.6090 -16.6090 -16.4686 -16.4686 -16.3900 -16.3900 -16.2519 -16.2519 -6.5206 -6.5206 -6.4867 -6.4867 3.8333 3.8333 3.8558 3.8558 4.2759 4.2759 4.5513 4.5513 4.8625 4.8625 4.9663 4.9663 8.7199 8.7199 9.4272 9.4272 9.4954 9.4954 11.7172 11.7172 11.8285 11.8285 12.5421 12.5421 13.1053 13.1053 k = 0.5000-0.8684-1.3963 ( 3210 PWs) bands (ev): -38.8488 -38.8488 -38.8406 -38.8406 -18.1996 -18.1996 -18.1801 -18.1801 -16.6100 -16.6100 -16.4663 -16.4663 -16.3926 -16.3926 -16.2532 -16.2532 -6.5175 -6.5175 -6.4860 -6.4860 3.8560 3.8560 3.8791 3.8791 4.2358 4.2358 4.5288 4.5288 4.8610 4.8610 4.9615 4.9615 8.7267 8.7267 9.4362 9.4362 9.4929 9.4929 11.7426 11.7426 11.8579 11.8579 12.5405 12.5405 13.1060 13.1060 k = 0.5000-0.8540-1.4205 ( 3204 PWs) bands (ev): -38.8478 -38.8478 -38.8414 -38.8414 -18.1987 -18.1987 -18.1814 -18.1814 -16.6107 -16.6107 -16.4643 -16.4643 -16.3949 -16.3949 -16.2544 -16.2544 -6.5147 -6.5147 -6.4857 -6.4857 3.8743 3.8743 3.9026 3.9026 4.2012 4.2012 4.5073 4.5073 4.8620 4.8620 4.9559 4.9559 8.7319 8.7319 9.4447 9.4447 9.4907 9.4907 11.7679 11.7679 11.8732 11.8732 12.5512 12.5512 13.1107 13.1107 k = 0.5000-0.8397-1.4448 ( 3204 PWs) bands (ev): -38.8468 -38.8468 -38.8422 -38.8422 -18.1979 -18.1979 -18.1826 -18.1826 -16.6113 -16.6113 -16.4627 -16.4627 -16.3966 -16.3966 -16.2552 -16.2552 -6.5123 -6.5123 -6.4857 -6.4857 3.8888 3.8888 3.9227 3.9227 4.1749 4.1749 4.4880 4.4880 4.8649 4.8649 4.9493 4.9493 8.7357 8.7357 9.4519 9.4519 9.4893 9.4893 11.7927 11.7927 11.8753 11.8753 12.5707 12.5707 13.1192 13.1192 k = 0.5000-0.8254-1.4690 ( 3212 PWs) bands (ev): -38.8458 -38.8458 -38.8431 -38.8431 -18.1973 -18.1973 -18.1835 -18.1835 -16.6117 -16.6117 -16.4617 -16.4617 -16.3978 -16.3978 -16.2558 -16.2558 -6.5103 -6.5103 -6.4860 -6.4860 3.8993 3.8993 3.9357 3.9357 4.1602 4.1602 4.4718 4.4718 4.8690 4.8690 4.9418 4.9418 8.7383 8.7383 9.4567 9.4567 9.4894 9.4894 11.8162 11.8162 11.8668 11.8668 12.5930 12.5930 13.1309 13.1309 k = 0.5000-0.8111-1.4932 ( 3206 PWs) bands (ev): -38.8448 -38.8448 -38.8440 -38.8440 -18.1969 -18.1969 -18.1840 -18.1840 -16.6119 -16.6119 -16.4612 -16.4612 -16.3984 -16.3984 -16.2561 -16.2561 -6.5089 -6.5089 -6.4867 -6.4867 3.9048 3.9048 3.9397 3.9397 4.1600 4.1600 4.4596 4.4596 4.8742 4.8742 4.9336 4.9336 8.7399 8.7399 9.4583 9.4583 9.4916 9.4916 11.8370 11.8370 11.8519 11.8519 12.6117 12.6117 13.1444 13.1444 k = 0.5000-0.7967-1.5174 ( 3204 PWs) bands (ev): -38.8449 -38.8449 -38.8439 -38.8439 -18.1970 -18.1970 -18.1840 -18.1840 -16.6119 -16.6119 -16.4612 -16.4612 -16.3984 -16.3984 -16.2560 -16.2560 -6.5081 -6.5081 -6.4875 -6.4875 3.9026 3.9026 3.9376 3.9376 4.1736 4.1736 4.4520 4.4520 4.8798 4.8798 4.9248 4.9248 8.7406 8.7406 9.4567 9.4567 9.4955 9.4955 11.8288 11.8288 11.8589 11.8589 12.6214 12.6214 13.1565 13.1565 k = 0.5000-0.7824-1.5416 ( 3210 PWs) bands (ev): -38.8460 -38.8460 -38.8429 -38.8429 -18.1974 -18.1974 -18.1833 -18.1833 -16.6117 -16.6117 -16.4618 -16.4618 -16.3977 -16.3977 -16.2557 -16.2557 -6.5081 -6.5081 -6.4885 -6.4885 3.8914 3.8914 3.9344 3.9344 4.1974 4.1974 4.4495 4.4495 4.8849 4.8849 4.9162 4.9162 8.7406 8.7406 9.4529 9.4529 9.4998 9.4998 11.8058 11.8058 11.8754 11.8754 12.6193 12.6193 13.1621 13.1621 k = 0.8251-0.7201-1.4281 ( 3210 PWs) bands (ev): -38.8460 -38.8460 -38.8429 -38.8429 -18.1974 -18.1974 -18.1833 -18.1833 -16.6117 -16.6117 -16.4618 -16.4618 -16.3977 -16.3977 -16.2557 -16.2557 -6.5081 -6.5081 -6.4885 -6.4885 3.8914 3.8914 3.9344 3.9344 4.1974 4.1974 4.4495 4.4495 4.8849 4.8849 4.9162 4.9162 8.7406 8.7406 9.4529 9.4529 9.4998 9.4998 11.8058 11.8058 11.8754 11.8754 12.6193 12.6193 13.1621 13.1621 k = 0.8196-0.7065-1.4034 ( 3208 PWs) bands (ev): -38.8471 -38.8471 -38.8420 -38.8420 -18.1982 -18.1982 -18.1822 -18.1822 -16.6112 -16.6112 -16.4627 -16.4627 -16.3965 -16.3965 -16.2551 -16.2551 -6.5091 -6.5091 -6.4895 -6.4895 3.8738 3.8738 3.9310 3.9310 4.2284 4.2284 4.4521 4.4521 4.8870 4.8870 4.9104 4.9104 8.7401 8.7401 9.4473 9.4473 9.5039 9.5039 11.7810 11.7810 11.8893 11.8893 12.6047 12.6047 13.1548 13.1548 k = 0.8142-0.6929-1.3786 ( 3210 PWs) bands (ev): -38.8483 -38.8483 -38.8410 -38.8410 -18.1993 -18.1993 -18.1806 -18.1806 -16.6106 -16.6106 -16.4641 -16.4641 -16.3948 -16.3948 -16.2542 -16.2542 -6.5112 -6.5112 -6.4905 -6.4905 3.8539 3.8539 3.9262 3.9262 4.2636 4.2636 4.4600 4.4600 4.8815 4.8815 4.9118 4.9118 8.7393 8.7393 9.4404 9.4404 9.5070 9.5070 11.7563 11.7563 11.8997 11.8997 12.5793 12.5793 13.1326 13.1326 k = 0.8088-0.6793-1.3539 ( 3210 PWs) bands (ev): -38.8495 -38.8495 -38.8402 -38.8402 -18.2005 -18.2005 -18.1786 -18.1786 -16.6097 -16.6097 -16.4656 -16.4656 -16.3927 -16.3927 -16.2529 -16.2529 -6.5144 -6.5144 -6.4916 -6.4916 3.8341 3.8341 3.9200 3.9200 4.3015 4.3015 4.4725 4.4725 4.8708 4.8708 4.9179 4.9179 8.7381 8.7381 9.4323 9.4323 9.5090 9.5090 11.7325 11.7325 11.9067 11.9067 12.5457 12.5457 13.0997 13.0997 k = 0.8034-0.6657-1.3291 ( 3204 PWs) bands (ev): -38.8508 -38.8508 -38.8393 -38.8393 -18.2018 -18.2018 -18.1763 -18.1763 -16.6086 -16.6086 -16.4673 -16.4673 -16.3903 -16.3903 -16.2514 -16.2514 -6.5185 -6.5185 -6.4928 -6.4928 3.8156 3.8156 3.9125 3.9125 4.3412 4.3412 4.4893 4.4893 4.8581 4.8581 4.9258 4.9258 8.7369 8.7369 9.4231 9.4231 9.5095 9.5095 11.7102 11.7102 11.9101 11.9101 12.5061 12.5061 13.0607 13.0607 k = 0.7980-0.6521-1.3044 ( 3206 PWs) bands (ev): -38.8521 -38.8521 -38.8384 -38.8384 -18.2031 -18.2031 -18.1738 -18.1738 -16.6073 -16.6073 -16.4691 -16.4691 -16.3876 -16.3876 -16.2495 -16.2495 -6.5237 -6.5237 -6.4942 -6.4942 3.7991 3.7991 3.9045 3.9045 4.3820 4.3820 4.5097 4.5097 4.8444 4.8444 4.9342 4.9342 8.7355 8.7355 9.4127 9.4127 9.5086 9.5086 11.6898 11.6898 11.9103 11.9103 12.4623 12.4623 13.0185 13.0185 k = 0.7925-0.6385-1.2797 ( 3210 PWs) bands (ev): -38.8535 -38.8535 -38.8377 -38.8377 -18.2043 -18.2043 -18.1710 -18.1710 -16.6058 -16.6058 -16.4708 -16.4708 -16.3847 -16.3847 -16.2474 -16.2474 -6.5296 -6.5296 -6.4960 -6.4960 3.7848 3.7848 3.8965 3.8965 4.4236 4.4236 4.5331 4.5331 4.8301 4.8301 4.9430 4.9430 8.7341 8.7341 9.4011 9.4011 9.5064 9.5064 11.6715 11.6715 11.9076 11.9076 12.4156 12.4156 12.9749 12.9749 k = 0.7871-0.6249-1.2549 ( 3212 PWs) bands (ev): -38.8550 -38.8550 -38.8369 -38.8369 -18.2056 -18.2056 -18.1679 -18.1679 -16.6041 -16.6041 -16.4725 -16.4725 -16.3817 -16.3817 -16.2450 -16.2450 -6.5364 -6.5364 -6.4982 -6.4982 3.7732 3.7732 3.8889 3.8889 4.4656 4.4656 4.5592 4.5592 4.8154 4.8154 4.9519 4.9519 8.7328 8.7328 9.3885 9.3885 9.5027 9.5027 11.6553 11.6553 11.9023 11.9023 12.3672 12.3672 12.9305 12.9305 k = 0.7817-0.6113-1.2302 ( 3210 PWs) bands (ev): -38.8565 -38.8565 -38.8362 -38.8362 -18.2067 -18.2067 -18.1647 -18.1647 -16.6023 -16.6023 -16.4740 -16.4740 -16.3784 -16.3784 -16.2424 -16.2424 -6.5440 -6.5440 -6.5009 -6.5009 3.7643 3.7643 3.8824 3.8824 4.5077 4.5077 4.5874 4.5874 4.8008 4.8008 4.9609 4.9609 8.7314 8.7314 9.3747 9.3747 9.4979 9.4979 11.6412 11.6412 11.8947 11.8947 12.3177 12.3177 12.8858 12.8858 k = 0.7763-0.5977-1.2054 ( 3210 PWs) bands (ev): -38.8581 -38.8581 -38.8355 -38.8355 -18.2078 -18.2078 -18.1612 -18.1612 -16.6004 -16.6004 -16.4752 -16.4752 -16.3751 -16.3751 -16.2396 -16.2396 -6.5523 -6.5523 -6.5041 -6.5041 3.7581 3.7581 3.8772 3.8772 4.5495 4.5495 4.6173 4.6173 4.7866 4.7866 4.9699 4.9699 8.7300 8.7300 9.3600 9.3600 9.4919 9.4919 11.6293 11.6293 11.8855 11.8855 12.2676 12.2676 12.8412 12.8412 k = 0.7709-0.5841-1.1807 ( 3210 PWs) bands (ev): -38.8598 -38.8598 -38.8348 -38.8348 -18.2088 -18.2088 -18.1575 -18.1575 -16.5983 -16.5983 -16.4763 -16.4763 -16.3716 -16.3716 -16.2365 -16.2365 -6.5613 -6.5613 -6.5079 -6.5079 3.7548 3.7548 3.8738 3.8738 4.5902 4.5902 4.6486 4.6486 4.7734 4.7734 4.9790 4.9790 8.7286 8.7286 9.3443 9.3443 9.4851 9.4851 11.6194 11.6194 11.8747 11.8747 12.2173 12.2173 12.7967 12.7967 k = 0.7655-0.5705-1.1559 ( 3206 PWs) bands (ev): -38.8615 -38.8615 -38.8342 -38.8342 -18.2097 -18.2097 -18.1536 -18.1536 -16.5961 -16.5961 -16.4770 -16.4770 -16.3680 -16.3680 -16.2332 -16.2332 -6.5710 -6.5710 -6.5122 -6.5122 3.7542 3.7542 3.8724 3.8724 4.6285 4.6285 4.6802 4.6802 4.7634 4.7634 4.9880 4.9880 8.7270 8.7270 9.3278 9.3278 9.4776 9.4776 11.6113 11.6113 11.8630 11.8630 12.1671 12.1671 12.7524 12.7524 k = 0.7600-0.5569-1.1312 ( 3204 PWs) bands (ev): -38.8632 -38.8632 -38.8337 -38.8337 -18.2105 -18.2105 -18.1494 -18.1494 -16.5939 -16.5939 -16.4774 -16.4774 -16.3643 -16.3643 -16.2298 -16.2298 -6.5814 -6.5814 -6.5170 -6.5170 3.7564 3.7564 3.8731 3.8731 4.6607 4.6607 4.7099 4.7099 4.7622 4.7622 4.9972 4.9972 8.7252 8.7252 9.3106 9.3106 9.4698 9.4698 11.6049 11.6049 11.8504 11.8504 12.1172 12.1172 12.7085 12.7085 k = 0.7546-0.5433-1.1064 ( 3210 PWs) bands (ev): -38.8650 -38.8650 -38.8332 -38.8332 -18.2112 -18.2112 -18.1450 -18.1450 -16.5917 -16.5917 -16.4774 -16.4774 -16.3604 -16.3604 -16.2263 -16.2263 -6.5924 -6.5924 -6.5225 -6.5225 3.7613 3.7613 3.8762 3.8762 4.6782 4.6782 4.7359 4.7359 4.7797 4.7797 5.0067 5.0067 8.7229 8.7229 9.2928 9.2928 9.4620 9.4620 11.5998 11.5998 11.8374 11.8374 12.0676 12.0676 12.6650 12.6650 k = 0.7492-0.5297-1.0817 ( 3212 PWs) bands (ev): -38.8669 -38.8669 -38.8328 -38.8328 -18.2118 -18.2118 -18.1405 -18.1405 -16.5895 -16.5895 -16.4770 -16.4770 -16.3564 -16.3564 -16.2226 -16.2226 -6.6040 -6.6040 -6.5286 -6.5286 3.7687 3.7687 3.8819 3.8819 4.6778 4.6778 4.7644 4.7644 4.8124 4.8124 5.0167 5.0167 8.7201 8.7201 9.2746 9.2746 9.4545 9.4545 11.5959 11.5959 11.8241 11.8241 12.0187 12.0187 12.6220 12.6220 k = 0.7438-0.5161-1.0569 ( 3210 PWs) bands (ev): -38.8688 -38.8688 -38.8324 -38.8324 -18.2122 -18.2122 -18.1357 -18.1357 -16.5873 -16.5873 -16.4762 -16.4762 -16.3522 -16.3522 -16.2188 -16.2188 -6.6162 -6.6162 -6.5352 -6.5352 3.7785 3.7785 3.8902 3.8902 4.6691 4.6691 4.7948 4.7948 4.8509 4.8509 5.0276 5.0276 8.7166 8.7166 9.2560 9.2560 9.4477 9.4477 11.5928 11.5928 11.8107 11.8107 11.9704 11.9704 12.5795 12.5795 k = 0.7384-0.5025-1.0322 ( 3212 PWs) bands (ev): -38.8707 -38.8707 -38.8321 -38.8321 -18.2126 -18.2126 -18.1307 -18.1307 -16.5852 -16.5852 -16.4749 -16.4749 -16.3479 -16.3479 -16.2149 -16.2149 -6.6290 -6.6290 -6.5425 -6.5425 3.7906 3.7906 3.9012 3.9012 4.6578 4.6578 4.8242 4.8242 4.8916 4.8916 5.0401 5.0401 8.7122 8.7122 9.2374 9.2374 9.4420 9.4420 11.5905 11.5905 11.7973 11.7973 11.9228 11.9228 12.5376 12.5376 k = 0.7330-0.4889-1.0074 ( 3216 PWs) bands (ev): -38.8728 -38.8728 -38.8318 -38.8318 -18.2128 -18.2128 -18.1255 -18.1255 -16.5832 -16.5832 -16.4731 -16.4731 -16.3434 -16.3434 -16.2110 -16.2110 -6.6422 -6.6422 -6.5503 -6.5503 3.8048 3.8048 3.9150 3.9150 4.6461 4.6461 4.8510 4.8510 4.9333 4.9333 5.0550 5.0550 8.7068 8.7068 9.2187 9.2187 9.4379 9.4379 11.5885 11.5885 11.7839 11.7839 11.8760 11.8760 12.4964 12.4964 k = 0.7275-0.4753-0.9827 ( 3212 PWs) bands (ev): -38.8748 -38.8748 -38.8316 -38.8316 -18.2129 -18.2129 -18.1201 -18.1201 -16.5813 -16.5813 -16.4708 -16.4708 -16.3387 -16.3387 -16.2070 -16.2070 -6.6560 -6.6560 -6.5587 -6.5587 3.8207 3.8207 3.9316 3.9316 4.6348 4.6348 4.8739 4.8739 4.9753 4.9753 5.0731 5.0731 8.7003 8.7003 9.2001 9.2001 9.4356 9.4356 11.5867 11.5867 11.7705 11.7705 11.8304 11.8304 12.4559 12.4559 k = 0.7221-0.4617-0.9579 ( 3218 PWs) bands (ev): -38.8769 -38.8769 -38.8314 -38.8314 -18.2129 -18.2129 -18.1146 -18.1146 -16.5796 -16.5796 -16.4680 -16.4680 -16.3338 -16.3338 -16.2030 -16.2030 -6.6703 -6.6703 -6.5677 -6.5677 3.8380 3.8380 3.9510 3.9510 4.6245 4.6245 4.8920 4.8920 5.0172 5.0172 5.0950 5.0950 8.6924 8.6924 9.1818 9.1818 9.4355 9.4355 11.5848 11.5848 11.7560 11.7560 11.7870 11.7870 12.4163 12.4163 k = 0.7167-0.4481-0.9332 ( 3214 PWs) bands (ev): -38.8790 -38.8790 -38.8312 -38.8312 -18.2128 -18.2128 -18.1088 -18.1088 -16.5780 -16.5780 -16.4647 -16.4647 -16.3287 -16.3287 -16.1990 -16.1990 -6.6849 -6.6849 -6.5771 -6.5771 3.8565 3.8565 3.9734 3.9734 4.6156 4.6156 4.9052 4.9052 5.0590 5.0590 5.1210 5.1210 8.6833 8.6833 9.1639 9.1639 9.4380 9.4380 11.5827 11.5827 11.7320 11.7320 11.7542 11.7542 12.3776 12.3776 k = 0.7113-0.4345-0.9084 ( 3210 PWs) bands (ev): -38.8811 -38.8811 -38.8311 -38.8311 -18.2125 -18.2125 -18.1030 -18.1030 -16.5766 -16.5766 -16.4609 -16.4609 -16.3234 -16.3234 -16.1951 -16.1951 -6.6999 -6.6999 -6.5872 -6.5872 3.8756 3.8756 3.9985 3.9985 4.6087 4.6087 4.9136 4.9136 5.1004 5.1004 5.1506 5.1506 8.6728 8.6728 9.1464 9.1464 9.4432 9.4432 11.5797 11.5797 11.6930 11.6930 11.7381 11.7381 12.3400 12.3400 k = 0.7059-0.4209-0.8837 ( 3214 PWs) bands (ev): -38.8833 -38.8833 -38.8310 -38.8310 -18.2122 -18.2122 -18.0969 -18.0969 -16.5753 -16.5753 -16.4566 -16.4566 -16.3179 -16.3179 -16.1911 -16.1911 -6.7153 -6.7153 -6.5977 -6.5977 3.8949 3.8949 4.0264 4.0264 4.6041 4.6041 4.9178 4.9178 5.1414 5.1414 5.1831 5.1831 8.6610 8.6610 9.1295 9.1295 9.4513 9.4513 11.5753 11.5753 11.6527 11.6527 11.7256 11.7256 12.3033 12.3033 k = 0.7004-0.4073-0.8589 ( 3212 PWs) bands (ev): -38.8855 -38.8855 -38.8310 -38.8310 -18.2117 -18.2117 -18.0908 -18.0908 -16.5741 -16.5741 -16.4518 -16.4518 -16.3121 -16.3121 -16.1873 -16.1873 -6.7310 -6.7310 -6.6087 -6.6087 3.9137 3.9137 4.0571 4.0571 4.6024 4.6024 4.9185 4.9185 5.1819 5.1819 5.2177 5.2177 8.6482 8.6482 9.1132 9.1132 9.4625 9.4625 11.5665 11.5665 11.6165 11.6165 11.7138 11.7138 12.2678 12.2678 k = 0.6950-0.3937-0.8342 ( 3212 PWs) bands (ev): -38.8877 -38.8877 -38.8311 -38.8311 -18.2112 -18.2112 -18.0845 -18.0845 -16.5731 -16.5731 -16.4466 -16.4466 -16.3061 -16.3061 -16.1835 -16.1835 -6.7469 -6.7469 -6.6201 -6.6201 3.9316 3.9316 4.0905 4.0905 4.6041 4.6041 4.9162 4.9162 5.2219 5.2219 5.2537 5.2537 8.6343 8.6343 9.0975 9.0975 9.4768 9.4768 11.5455 11.5455 11.5928 11.5928 11.7025 11.7025 12.2335 12.2335 k = 0.6896-0.3801-0.8094 ( 3212 PWs) bands (ev): -38.8899 -38.8899 -38.8311 -38.8311 -18.2106 -18.2106 -18.0781 -18.0781 -16.5722 -16.5722 -16.4410 -16.4410 -16.3000 -16.3000 -16.1797 -16.1797 -6.7630 -6.7630 -6.6319 -6.6319 3.9477 3.9477 4.1265 4.1265 4.6098 4.6098 4.9114 4.9114 5.2614 5.2614 5.2904 5.2904 8.6197 8.6197 9.0825 9.0825 9.4941 9.4941 11.5117 11.5117 11.5822 11.5822 11.6915 11.6915 12.2004 12.2004 k = 0.6842-0.3665-0.7847 ( 3214 PWs) bands (ev): -38.8922 -38.8922 -38.8312 -38.8312 -18.2099 -18.2099 -18.0717 -18.0717 -16.5714 -16.5714 -16.4350 -16.4350 -16.2936 -16.2936 -16.1761 -16.1761 -6.7793 -6.7793 -6.6441 -6.6441 3.9617 3.9617 4.1650 4.1650 4.6199 4.6199 4.9044 4.9044 5.3003 5.3003 5.3275 5.3275 8.6045 8.6045 9.0682 9.0682 9.5145 9.5145 11.4739 11.4739 11.5761 11.5761 11.6806 11.6806 12.1685 12.1685 k = 0.6788-0.3529-0.7599 ( 3208 PWs) bands (ev): -38.8944 -38.8944 -38.8314 -38.8314 -18.2092 -18.2092 -18.0651 -18.0651 -16.5707 -16.5707 -16.4287 -16.4287 -16.2870 -16.2870 -16.1725 -16.1725 -6.7958 -6.7958 -6.6567 -6.6567 3.9728 3.9728 4.2058 4.2058 4.6349 4.6349 4.8956 4.8956 5.3385 5.3385 5.3647 5.3647 8.5891 8.5891 9.0545 9.0545 9.5379 9.5379 11.4355 11.4355 11.5712 11.5712 11.6698 11.6698 12.1379 12.1379 k = 0.6734-0.3393-0.7352 ( 3208 PWs) bands (ev): -38.8966 -38.8966 -38.8316 -38.8316 -18.2084 -18.2084 -18.0585 -18.0585 -16.5700 -16.5700 -16.4221 -16.4221 -16.2802 -16.2802 -16.1691 -16.1691 -6.8123 -6.8123 -6.6696 -6.6696 3.9809 3.9809 4.2486 4.2486 4.6549 4.6549 4.8854 4.8854 5.3761 5.3761 5.4016 5.4016 8.5735 8.5735 9.0415 9.0415 9.5641 9.5641 11.3974 11.3974 11.5666 11.5666 11.6592 11.6592 12.1084 12.1084 k = 0.6679-0.3257-0.7104 ( 3212 PWs) bands (ev): -38.8989 -38.8989 -38.8318 -38.8318 -18.2075 -18.2075 -18.0519 -18.0519 -16.5694 -16.5694 -16.4152 -16.4152 -16.2733 -16.2733 -16.1657 -16.1657 -6.8288 -6.8288 -6.6827 -6.6827 3.9856 3.9856 4.2933 4.2933 4.6799 4.6799 4.8741 4.8741 5.4129 5.4129 5.4381 5.4381 8.5581 8.5581 9.0290 9.0290 9.5931 9.5931 11.3601 11.3601 11.5622 11.5622 11.6485 11.6485 12.0801 12.0801 k = 0.6625-0.3121-0.6857 ( 3210 PWs) bands (ev): -38.9011 -38.9011 -38.8321 -38.8321 -18.2066 -18.2066 -18.0453 -18.0453 -16.5689 -16.5689 -16.4081 -16.4081 -16.2661 -16.2661 -16.1625 -16.1625 -6.8453 -6.8453 -6.6960 -6.6960 3.9871 3.9871 4.3393 4.3393 4.7099 4.7099 4.8622 4.8622 5.4488 5.4488 5.4741 5.4741 8.5431 8.5431 9.0170 9.0170 9.6247 9.6247 11.3236 11.3236 11.5579 11.5579 11.6380 11.6380 12.0528 12.0528 k = 0.6571-0.2985-0.6610 ( 3204 PWs) bands (ev): -38.9034 -38.9034 -38.8323 -38.8323 -18.2057 -18.2057 -18.0387 -18.0387 -16.5684 -16.5684 -16.4007 -16.4007 -16.2589 -16.2589 -16.1594 -16.1594 -6.8618 -6.8618 -6.7095 -6.7095 3.9854 3.9854 4.3860 4.3860 4.7443 4.7443 4.8506 4.8506 5.4839 5.4839 5.5093 5.5093 8.5286 8.5286 9.0054 9.0054 9.6587 9.6587 11.2882 11.2882 11.5536 11.5536 11.6275 11.6275 12.0265 12.0265 k = 0.6517-0.2849-0.6362 ( 3204 PWs) bands (ev): -38.9056 -38.9056 -38.8327 -38.8327 -18.2047 -18.2047 -18.0321 -18.0321 -16.5679 -16.5679 -16.3931 -16.3931 -16.2515 -16.2515 -16.1564 -16.1564 -6.8782 -6.8782 -6.7232 -6.7232 3.9809 3.9809 4.4325 4.4325 4.7819 4.7819 4.8411 4.8411 5.5179 5.5179 5.5437 5.5437 8.5149 8.5149 8.9942 8.9942 9.6952 9.6952 11.2539 11.2539 11.5493 11.5493 11.6170 11.6170 12.0011 12.0011 k = 0.6463-0.2713-0.6115 ( 3198 PWs) bands (ev): -38.9078 -38.9078 -38.8330 -38.8330 -18.2038 -18.2038 -18.0255 -18.0255 -16.5674 -16.5674 -16.3854 -16.3854 -16.2440 -16.2440 -16.1536 -16.1536 -6.8944 -6.8944 -6.7369 -6.7369 3.9738 3.9738 4.4770 4.4770 4.8151 4.8151 4.8424 4.8424 5.5509 5.5509 5.5772 5.5772 8.5019 8.5019 8.9832 8.9832 9.7339 9.7339 11.2209 11.2209 11.5449 11.5449 11.6066 11.6066 11.9763 11.9763 k = 0.6409-0.2577-0.5867 ( 3202 PWs) bands (ev): -38.9099 -38.9099 -38.8334 -38.8334 -18.2028 -18.2028 -18.0190 -18.0190 -16.5669 -16.5669 -16.3775 -16.3775 -16.2365 -16.2365 -16.1509 -16.1509 -6.9105 -6.9105 -6.7507 -6.7507 3.9646 3.9646 4.5170 4.5170 4.8225 4.8225 4.8781 4.8781 5.5828 5.5828 5.6096 5.6096 8.4899 8.4899 8.9723 8.9723 9.7747 9.7747 11.1893 11.1893 11.5405 11.5405 11.5964 11.5964 11.9522 11.9522 k = 0.6354-0.2441-0.5620 ( 3204 PWs) bands (ev): -38.9121 -38.9121 -38.8337 -38.8337 -18.2018 -18.2018 -18.0126 -18.0126 -16.5664 -16.5664 -16.3696 -16.3696 -16.2290 -16.2290 -16.1482 -16.1482 -6.9263 -6.9263 -6.7645 -6.7645 3.9535 3.9535 4.5487 4.5487 4.8300 4.8300 4.9256 4.9256 5.6136 5.6136 5.6408 5.6408 8.4788 8.4788 8.9615 8.9615 9.8175 9.8175 11.1591 11.1591 11.5358 11.5358 11.5862 11.5862 11.9284 11.9284 k = 0.6300-0.2305-0.5372 ( 3202 PWs) bands (ev): -38.9142 -38.9142 -38.8341 -38.8341 -18.2008 -18.2008 -18.0063 -18.0063 -16.5659 -16.5659 -16.3615 -16.3615 -16.2216 -16.2216 -16.1457 -16.1457 -6.9419 -6.9419 -6.7782 -6.7782 3.9409 3.9409 4.5683 4.5683 4.8491 4.8491 4.9765 4.9765 5.6433 5.6433 5.6708 5.6708 8.4688 8.4688 8.9507 8.9507 9.8621 9.8621 11.1304 11.1304 11.5307 11.5307 11.5762 11.5762 11.9050 11.9050 k = 0.6246-0.2169-0.5125 ( 3194 PWs) bands (ev): -38.9162 -38.9162 -38.8345 -38.8345 -18.1999 -18.1999 -18.0001 -18.0001 -16.5655 -16.5655 -16.3534 -16.3534 -16.2142 -16.2142 -16.1432 -16.1432 -6.9572 -6.9572 -6.7918 -6.7918 3.9272 3.9272 4.5747 4.5747 4.8819 4.8819 5.0296 5.0296 5.6719 5.6719 5.6994 5.6994 8.4598 8.4598 8.9397 8.9397 9.9083 9.9083 11.1033 11.1033 11.5252 11.5252 11.5662 11.5662 11.8816 11.8816 k = 0.6192-0.2033-0.4877 ( 3192 PWs) bands (ev): -38.9182 -38.9182 -38.8349 -38.8349 -18.1989 -18.1989 -17.9940 -17.9940 -16.5650 -16.5650 -16.3452 -16.3452 -16.2070 -16.2070 -16.1408 -16.1408 -6.9721 -6.9721 -6.8053 -6.8053 3.9125 3.9125 4.5701 4.5701 4.9261 4.9261 5.0842 5.0842 5.6993 5.6993 5.7266 5.7266 8.4517 8.4517 8.9285 8.9285 9.9561 9.9561 11.0779 11.0779 11.5190 11.5190 11.5563 11.5563 11.8583 11.8583 k = 0.6138-0.1897-0.4630 ( 3192 PWs) bands (ev): -38.9202 -38.9202 -38.8353 -38.8353 -18.1980 -18.1980 -17.9881 -17.9881 -16.5645 -16.5645 -16.3370 -16.3370 -16.2000 -16.2000 -16.1384 -16.1384 -6.9866 -6.9866 -6.8186 -6.8186 3.8970 3.8970 4.5578 4.5578 4.9785 4.9785 5.1400 5.1400 5.7255 5.7255 5.7523 5.7523 8.4446 8.4446 8.9170 8.9170 10.0052 10.0052 11.0542 11.0542 11.5120 11.5120 11.5464 11.5464 11.8350 11.8350 k = 0.6084-0.1761-0.4382 ( 3188 PWs) bands (ev): -38.9221 -38.9221 -38.8358 -38.8358 -18.1971 -18.1971 -17.9824 -17.9824 -16.5641 -16.5641 -16.3288 -16.3288 -16.1934 -16.1934 -16.1359 -16.1359 -7.0007 -7.0007 -6.8317 -6.8317 3.8811 3.8811 4.5408 4.5408 5.0362 5.0362 5.1964 5.1964 5.7506 5.7506 5.7765 5.7765 8.4384 8.4384 8.9052 8.9052 10.0554 10.0554 11.0321 11.0321 11.5043 11.5043 11.5363 11.5363 11.8115 11.8115 k = 0.6029-0.1625-0.4135 ( 3184 PWs) bands (ev): -38.9239 -38.9239 -38.8362 -38.8362 -18.1963 -18.1963 -17.9768 -17.9768 -16.5636 -16.5636 -16.3206 -16.3206 -16.1873 -16.1873 -16.1333 -16.1333 -7.0144 -7.0144 -6.8444 -6.8444 3.8649 3.8649 4.5208 4.5208 5.0973 5.0973 5.2532 5.2532 5.7744 5.7744 5.7992 5.7992 8.4329 8.4329 8.8930 8.8930 10.1066 10.1066 11.0118 11.0118 11.4958 11.4958 11.5260 11.5260 11.7880 11.7880 k = 0.5975-0.1489-0.3887 ( 3184 PWs) bands (ev): -38.9257 -38.9257 -38.8366 -38.8366 -18.1954 -18.1954 -17.9714 -17.9714 -16.5632 -16.5632 -16.3124 -16.3124 -16.1817 -16.1817 -16.1304 -16.1304 -7.0275 -7.0275 -6.8568 -6.8568 3.8485 3.8485 4.4990 4.4990 5.1604 5.1604 5.3099 5.3099 5.7970 5.7970 5.8204 5.8204 8.4281 8.4281 8.8805 8.8805 10.1585 10.1585 10.9930 10.9930 11.4864 11.4864 11.5153 11.5153 11.7644 11.7644 k = 0.5921-0.1353-0.3640 ( 3186 PWs) bands (ev): -38.9274 -38.9274 -38.8370 -38.8370 -18.1947 -18.1947 -17.9663 -17.9663 -16.5627 -16.5627 -16.3043 -16.3043 -16.1768 -16.1768 -16.1273 -16.1273 -7.0402 -7.0402 -6.8689 -6.8689 3.8322 3.8322 4.4762 4.4762 5.2247 5.2247 5.3662 5.3662 5.8184 5.8184 5.8401 5.8401 8.4238 8.4238 8.8677 8.8677 10.2109 10.2109 10.9759 10.9759 11.4763 11.4763 11.5046 11.5046 11.7410 11.7410 k = 0.5867-0.1217-0.3392 ( 3186 PWs) bands (ev): -38.9291 -38.9291 -38.8375 -38.8375 -18.1939 -18.1939 -17.9614 -17.9614 -16.5623 -16.5623 -16.2963 -16.2963 -16.1727 -16.1727 -16.1239 -16.1239 -7.0523 -7.0523 -6.8805 -6.8805 3.8160 3.8160 4.4530 4.4530 5.2894 5.2894 5.4217 5.4217 5.8386 5.8386 5.8583 5.8583 8.4199 8.4199 8.8545 8.8545 10.2636 10.2636 10.9603 10.9603 11.4653 11.4653 11.4940 11.4940 11.7178 11.7178 k = 0.5813-0.1081-0.3145 ( 3188 PWs) bands (ev): -38.9306 -38.9306 -38.8379 -38.8379 -18.1932 -18.1932 -17.9567 -17.9567 -16.5618 -16.5618 -16.2884 -16.2884 -16.1694 -16.1694 -16.1201 -16.1201 -7.0638 -7.0638 -6.8917 -6.8917 3.8001 3.8001 4.4298 4.4298 5.3540 5.3540 5.4762 5.4762 5.8576 5.8576 5.8750 5.8750 8.4163 8.4163 8.8411 8.8411 10.3162 10.3162 10.9460 10.9460 11.4535 11.4535 11.4840 11.4840 11.6951 11.6951 k = 0.5758-0.0945-0.2897 ( 3186 PWs) bands (ev): -38.9321 -38.9321 -38.8383 -38.8383 -18.1926 -18.1926 -17.9522 -17.9522 -16.5614 -16.5614 -16.2806 -16.2806 -16.1669 -16.1669 -16.1160 -16.1160 -7.0747 -7.0747 -6.9023 -6.9023 3.7847 3.7847 4.4069 4.4069 5.4179 5.4179 5.5291 5.5291 5.8753 5.8753 5.8904 5.8904 8.4129 8.4129 8.8275 8.8275 10.3685 10.3685 10.9331 10.9331 11.4406 11.4406 11.4750 11.4750 11.6729 11.6729 k = 0.5704-0.0809-0.2650 ( 3186 PWs) bands (ev): -38.9335 -38.9335 -38.8386 -38.8386 -18.1920 -18.1920 -17.9480 -17.9480 -16.5610 -16.5610 -16.2729 -16.2729 -16.1653 -16.1653 -16.1116 -16.1116 -7.0850 -7.0850 -6.9124 -6.9124 3.7698 3.7698 4.3846 4.3846 5.4806 5.4806 5.5803 5.5803 5.8918 5.8918 5.9045 5.9045 8.4095 8.4095 8.8138 8.8138 10.4201 10.4201 10.9213 10.9213 11.4268 11.4268 11.4675 11.4675 11.6515 11.6515 k = 0.5650-0.0673-0.2402 ( 3186 PWs) bands (ev): -38.9348 -38.9348 -38.8390 -38.8390 -18.1914 -18.1914 -17.9441 -17.9441 -16.5607 -16.5607 -16.2653 -16.2653 -16.1644 -16.1644 -16.1072 -16.1072 -7.0946 -7.0946 -6.9219 -6.9219 3.7555 3.7555 4.3631 4.3631 5.5415 5.5415 5.6292 5.6292 5.9072 5.9072 5.9174 5.9174 8.4062 8.4062 8.8002 8.8002 10.4707 10.4707 10.9106 10.9106 11.4121 11.4121 11.4618 11.4618 11.6311 11.6311 k = 0.5596-0.0537-0.2155 ( 3184 PWs) bands (ev): -38.9360 -38.9360 -38.8393 -38.8393 -18.1909 -18.1909 -17.9405 -17.9405 -16.5603 -16.5603 -16.2580 -16.2580 -16.1642 -16.1642 -16.1027 -16.1027 -7.1035 -7.1035 -6.9308 -6.9308 3.7420 3.7420 4.3426 4.3426 5.6001 5.6001 5.6757 5.6757 5.9214 5.9214 5.9291 5.9291 8.4029 8.4029 8.7868 8.7868 10.5198 10.5198 10.9009 10.9009 11.3966 11.3966 11.4581 11.4581 11.6118 11.6118 k = 0.5542-0.0401-0.1907 ( 3186 PWs) bands (ev): -38.9372 -38.9372 -38.8396 -38.8396 -18.1905 -18.1905 -17.9371 -17.9371 -16.5600 -16.5600 -16.2508 -16.2508 -16.1645 -16.1645 -16.0983 -16.0983 -7.1117 -7.1117 -6.9391 -6.9391 3.7294 3.7294 4.3234 4.3234 5.6557 5.6557 5.7192 5.7192 5.9346 5.9346 5.9399 5.9399 8.3994 8.3994 8.7738 8.7738 10.5670 10.5670 10.8921 10.8921 11.3807 11.3807 11.4564 11.4564 11.5937 11.5937 k = 0.5488-0.0265-0.1660 ( 3180 PWs) bands (ev): -38.9382 -38.9382 -38.8399 -38.8399 -18.1901 -18.1901 -17.9341 -17.9341 -16.5596 -16.5596 -16.2438 -16.2438 -16.1654 -16.1654 -16.0941 -16.0941 -7.1192 -7.1192 -6.9466 -6.9466 3.7177 3.7177 4.3055 4.3055 5.7080 5.7080 5.7594 5.7594 5.9466 5.9466 5.9498 5.9498 8.3959 8.3959 8.7612 8.7612 10.6118 10.6118 10.8842 10.8842 11.3646 11.3646 11.4566 11.4566 11.5770 11.5770 k = 0.5433-0.0129-0.1412 ( 3170 PWs) bands (ev): -38.9391 -38.9391 -38.8402 -38.8402 -18.1897 -18.1897 -17.9313 -17.9313 -16.5594 -16.5594 -16.2370 -16.2370 -16.1667 -16.1667 -16.0902 -16.0902 -7.1260 -7.1260 -6.9535 -6.9535 3.7070 3.7070 4.2891 4.2891 5.7561 5.7561 5.7960 5.7960 5.9576 5.9576 5.9591 5.9591 8.3923 8.3923 8.7493 8.7493 10.6537 10.6537 10.8774 10.8774 11.3487 11.3487 11.4585 11.4585 11.5617 11.5617 k = 0.5379 0.0007-0.1165 ( 3166 PWs) bands (ev): -38.9398 -38.9398 -38.8404 -38.8404 -18.1894 -18.1894 -17.9289 -17.9289 -16.5591 -16.5591 -16.2305 -16.2305 -16.1685 -16.1685 -16.0866 -16.0866 -7.1320 -7.1320 -6.9596 -6.9596 3.6974 3.6974 4.2744 4.2744 5.7994 5.7994 5.8285 5.8285 5.9672 5.9672 5.9686 5.9686 8.3888 8.3888 8.7383 8.7383 10.6920 10.6920 10.8716 10.8716 11.3334 11.3334 11.4617 11.4617 11.5481 11.5481 k = 0.5325 0.0143-0.0917 ( 3162 PWs) bands (ev): -38.9405 -38.9405 -38.8406 -38.8406 -18.1891 -18.1891 -17.9268 -17.9268 -16.5589 -16.5589 -16.2242 -16.2242 -16.1706 -16.1706 -16.0834 -16.0834 -7.1372 -7.1372 -6.9649 -6.9649 3.6889 3.6889 4.2614 4.2614 5.8373 5.8373 5.8566 5.8566 5.9757 5.9757 5.9781 5.9781 8.3854 8.3854 8.7283 8.7283 10.7260 10.7260 10.8672 10.8672 11.3190 11.3190 11.4656 11.4656 11.5362 11.5362 k = 0.5271 0.0279-0.0670 ( 3166 PWs) bands (ev): -38.9412 -38.9412 -38.8408 -38.8408 -18.1889 -18.1889 -17.9250 -17.9250 -16.5587 -16.5587 -16.2182 -16.2182 -16.1732 -16.1732 -16.0806 -16.0806 -7.1416 -7.1416 -6.9695 -6.9695 3.6817 3.6817 4.2503 4.2503 5.8690 5.8690 5.8800 5.8800 5.9837 5.9837 5.9873 5.9873 8.3823 8.3823 8.7195 8.7195 10.7549 10.7549 10.8645 10.8645 11.3061 11.3061 11.4696 11.4696 11.5263 11.5263 k = 0.5217 0.0415-0.0423 ( 3162 PWs) bands (ev): -38.9416 -38.9416 -38.8409 -38.8409 -18.1887 -18.1887 -17.9235 -17.9235 -16.5585 -16.5585 -16.2125 -16.2125 -16.1761 -16.1761 -16.0783 -16.0783 -7.1453 -7.1453 -6.9732 -6.9732 3.6757 3.6757 4.2410 4.2410 5.8942 5.8942 5.8986 5.8986 5.9913 5.9913 5.9961 5.9961 8.3794 8.3794 8.7121 8.7121 10.7776 10.7776 10.8640 10.8640 11.2949 11.2949 11.4729 11.4729 11.5188 11.5188 k = 0.5163 0.0551-0.0175 ( 3166 PWs) bands (ev): -38.9420 -38.9420 -38.8411 -38.8411 -18.1885 -18.1885 -17.9223 -17.9223 -16.5584 -16.5584 -16.2070 -16.2070 -16.1793 -16.1793 -16.0765 -16.0765 -7.1481 -7.1481 -6.9761 -6.9761 3.6709 3.6709 4.2338 4.2338 5.9116 5.9116 5.9134 5.9134 5.9981 5.9981 6.0045 6.0045 8.3771 8.3771 8.7061 8.7061 10.7936 10.7936 10.8659 10.8659 11.2859 11.2859 11.4750 11.4750 11.5139 11.5139 k = 0.5108 0.0687 0.0072 ( 3166 PWs) bands (ev): -38.9423 -38.9423 -38.8412 -38.8412 -18.1884 -18.1884 -17.9215 -17.9215 -16.5583 -16.5583 -16.2020 -16.2020 -16.1827 -16.1827 -16.0751 -16.0751 -7.1502 -7.1502 -6.9782 -6.9782 3.6676 3.6676 4.2286 4.2286 5.9212 5.9212 5.9255 5.9255 6.0035 6.0035 6.0117 6.0117 8.3753 8.3753 8.7018 8.7018 10.8033 10.8033 10.8694 10.8694 11.2792 11.2792 11.4758 11.4758 11.5113 11.5113 k = 0.5054 0.0823 0.0320 ( 3158 PWs) bands (ev): -38.9424 -38.9424 -38.8412 -38.8412 -18.1884 -18.1884 -17.9210 -17.9210 -16.5583 -16.5583 -16.1976 -16.1976 -16.1862 -16.1862 -16.0743 -16.0743 -7.1514 -7.1514 -6.9795 -6.9795 3.6655 3.6655 4.2254 4.2254 5.9265 5.9265 5.9325 5.9325 6.0069 6.0069 6.0166 6.0166 8.3742 8.3742 8.6991 8.6991 10.8080 10.8080 10.8727 10.8727 11.2751 11.2751 11.4758 11.4758 11.5104 11.5104 k = 0.5000 0.0959 0.0567 ( 3156 PWs) bands (ev): -38.9425 -38.9425 -38.8412 -38.8412 -18.1883 -18.1883 -17.9208 -17.9208 -16.5582 -16.5582 -16.1953 -16.1953 -16.1882 -16.1882 -16.0741 -16.0741 -7.1518 -7.1518 -6.9799 -6.9799 3.6648 3.6648 4.2244 4.2244 5.9282 5.9282 5.9348 5.9348 6.0081 6.0081 6.0183 6.0183 8.3738 8.3738 8.6983 8.6983 10.8094 10.8094 10.8741 10.8741 11.2737 11.2737 11.4757 11.4757 11.5102 11.5102 k = 0.5000 0.0959 0.0567 ( 3156 PWs) bands (ev): -38.9425 -38.9425 -38.8412 -38.8412 -18.1883 -18.1883 -17.9208 -17.9208 -16.5582 -16.5582 -16.1953 -16.1953 -16.1882 -16.1882 -16.0741 -16.0741 -7.1518 -7.1518 -6.9799 -6.9799 3.6648 3.6648 4.2244 4.2244 5.9282 5.9282 5.9348 5.9348 6.0081 6.0081 6.0183 6.0183 8.3738 8.3738 8.6983 8.6983 10.8094 10.8094 10.8741 10.8741 11.2737 11.2737 11.4757 11.4757 11.5102 11.5102 k = 0.4722 0.0906 0.0536 ( 3150 PWs) bands (ev): -38.9425 -38.9425 -38.8412 -38.8412 -18.1883 -18.1883 -17.9208 -17.9208 -16.5582 -16.5582 -16.1953 -16.1953 -16.1882 -16.1882 -16.0741 -16.0741 -7.1521 -7.1521 -6.9796 -6.9796 3.6618 3.6618 4.2283 4.2283 5.9247 5.9247 5.9383 5.9383 6.0053 6.0053 6.0212 6.0212 8.3662 8.3662 8.7050 8.7050 10.8094 10.8094 10.8740 10.8740 11.2734 11.2734 11.4753 11.4753 11.5098 11.5098 k = 0.4444 0.0853 0.0504 ( 3150 PWs) bands (ev): -38.9425 -38.9425 -38.8412 -38.8412 -18.1883 -18.1883 -17.9208 -17.9208 -16.5582 -16.5582 -16.1953 -16.1953 -16.1882 -16.1882 -16.0741 -16.0741 -7.1530 -7.1530 -6.9786 -6.9786 3.6529 3.6529 4.2398 4.2398 5.9193 5.9193 5.9439 5.9439 6.0001 6.0001 6.0265 6.0265 8.3450 8.3450 8.7235 8.7235 10.8093 10.8093 10.8740 10.8740 11.2725 11.2725 11.4741 11.4741 11.5086 11.5086 k = 0.4167 0.0799 0.0473 ( 3162 PWs) bands (ev): -38.9425 -38.9425 -38.8412 -38.8412 -18.1883 -18.1883 -17.9208 -17.9208 -16.5583 -16.5583 -16.1953 -16.1953 -16.1881 -16.1881 -16.0741 -16.0741 -7.1545 -7.1545 -6.9770 -6.9770 3.6390 3.6390 4.2578 4.2578 5.9136 5.9136 5.9497 5.9497 5.9945 5.9945 6.0322 6.0322 8.3142 8.3142 8.7499 8.7499 10.8092 10.8092 10.8739 10.8739 11.2709 11.2709 11.4722 11.4722 11.5067 11.5067 k = 0.3889 0.0746 0.0441 ( 3159 PWs) bands (ev): -38.9425 -38.9425 -38.8412 -38.8412 -18.1883 -18.1883 -17.9208 -17.9208 -16.5583 -16.5583 -16.1953 -16.1953 -16.1881 -16.1881 -16.0741 -16.0741 -7.1565 -7.1565 -6.9750 -6.9750 3.6214 3.6214 4.2812 4.2812 5.9081 5.9081 5.9554 5.9554 5.9889 5.9889 6.0379 6.0379 8.2774 8.2774 8.7807 8.7807 10.8092 10.8092 10.8738 10.8738 11.2689 11.2689 11.4697 11.4697 11.5040 11.5040 k = 0.3611 0.0693 0.0410 ( 3159 PWs) bands (ev): -38.9425 -38.9425 -38.8412 -38.8412 -18.1883 -18.1883 -17.9208 -17.9208 -16.5583 -16.5583 -16.1953 -16.1953 -16.1881 -16.1881 -16.0741 -16.0741 -7.1589 -7.1589 -6.9724 -6.9724 3.6011 3.6011 4.3085 4.3085 5.9028 5.9028 5.9610 5.9610 5.9835 5.9835 6.0436 6.0436 8.2373 8.2373 8.8134 8.8134 10.8091 10.8091 10.8736 10.8736 11.2664 11.2664 11.4665 11.4665 11.5008 11.5008 k = 0.3333 0.0639 0.0378 ( 3171 PWs) bands (ev): -38.9426 -38.9426 -38.8413 -38.8413 -18.1884 -18.1884 -17.9208 -17.9208 -16.5583 -16.5583 -16.1953 -16.1953 -16.1881 -16.1881 -16.0741 -16.0741 -7.1616 -7.1616 -6.9696 -6.9696 3.5794 3.5794 4.3385 4.3385 5.8977 5.8977 5.9664 5.9664 5.9783 5.9783 6.0491 6.0491 8.1956 8.1956 8.8465 8.8465 10.8089 10.8089 10.8734 10.8734 11.2635 11.2635 11.4629 11.4629 11.4971 11.4971 k = 0.3056 0.0586 0.0347 ( 3171 PWs) bands (ev): -38.9426 -38.9426 -38.8413 -38.8413 -18.1884 -18.1884 -17.9208 -17.9208 -16.5583 -16.5583 -16.1953 -16.1953 -16.1881 -16.1881 -16.0741 -16.0741 -7.1645 -7.1645 -6.9665 -6.9665 3.5571 3.5571 4.3701 4.3701 5.8928 5.8928 5.9716 5.9716 5.9733 5.9733 6.0544 6.0544 8.1535 8.1535 8.8788 8.8788 10.8088 10.8088 10.8732 10.8732 11.2603 11.2603 11.4588 11.4588 11.4930 11.4930 k = 0.2778 0.0533 0.0315 ( 3165 PWs) bands (ev): -38.9425 -38.9425 -38.8412 -38.8412 -18.1884 -18.1884 -17.9208 -17.9208 -16.5583 -16.5583 -16.1953 -16.1953 -16.1880 -16.1880 -16.0741 -16.0741 -7.1674 -7.1674 -6.9634 -6.9634 3.5350 3.5350 4.4022 4.4022 5.8883 5.8883 5.9686 5.9686 5.9765 5.9765 6.0594 6.0594 8.1122 8.1122 8.9096 8.9096 10.8087 10.8087 10.8730 10.8730 11.2571 11.2571 11.4546 11.4546 11.4887 11.4887 k = 0.2500 0.0480 0.0284 ( 3168 PWs) bands (ev): -38.9425 -38.9425 -38.8413 -38.8413 -18.1884 -18.1884 -17.9208 -17.9208 -16.5583 -16.5583 -16.1953 -16.1953 -16.1880 -16.1880 -16.0741 -16.0741 -7.1704 -7.1704 -6.9602 -6.9602 3.5137 3.5137 4.4339 4.4339 5.8840 5.8840 5.9643 5.9643 5.9811 5.9811 6.0640 6.0640 8.0723 8.0723 8.9386 8.9386 10.8085 10.8085 10.8728 10.8728 11.2537 11.2537 11.4501 11.4501 11.4843 11.4843 k = 0.2222 0.0426 0.0252 ( 3165 PWs) bands (ev): -38.9425 -38.9425 -38.8412 -38.8412 -18.1884 -18.1884 -17.9208 -17.9208 -16.5584 -16.5584 -16.1953 -16.1953 -16.1880 -16.1880 -16.0741 -16.0741 -7.1733 -7.1733 -6.9571 -6.9571 3.4936 3.4936 4.4646 4.4646 5.8802 5.8802 5.9604 5.9604 5.9853 5.9853 6.0683 6.0683 8.0346 8.0346 8.9652 8.9652 10.8084 10.8084 10.8726 10.8726 11.2504 11.2504 11.4458 11.4458 11.4798 11.4798 k = 0.1944 0.0373 0.0221 ( 3177 PWs) bands (ev): -38.9426 -38.9426 -38.8413 -38.8413 -18.1884 -18.1884 -17.9208 -17.9208 -16.5584 -16.5584 -16.1953 -16.1953 -16.1880 -16.1880 -16.0741 -16.0741 -7.1760 -7.1760 -6.9542 -6.9542 3.4752 3.4752 4.4934 4.4934 5.8767 5.8767 5.9568 5.9568 5.9892 5.9892 6.0722 6.0722 7.9998 7.9998 8.9892 8.9892 10.8083 10.8083 10.8724 10.8724 11.2472 11.2472 11.4415 11.4415 11.4755 11.4755 k = 0.1667 0.0320 0.0189 ( 3168 PWs) bands (ev): -38.9425 -38.9425 -38.8413 -38.8413 -18.1884 -18.1884 -17.9208 -17.9208 -16.5584 -16.5584 -16.1953 -16.1953 -16.1879 -16.1879 -16.0741 -16.0741 -7.1785 -7.1785 -6.9516 -6.9516 3.4588 3.4588 4.5197 4.5197 5.8737 5.8737 5.9537 5.9537 5.9926 5.9926 6.0757 6.0757 7.9682 7.9682 9.0104 9.0104 10.8082 10.8082 10.8723 10.8723 11.2442 11.2442 11.4375 11.4375 11.4716 11.4716 k = 0.1389 0.0266 0.0158 ( 3159 PWs) bands (ev): -38.9425 -38.9425 -38.8413 -38.8413 -18.1884 -18.1884 -17.9208 -17.9208 -16.5584 -16.5584 -16.1953 -16.1953 -16.1879 -16.1879 -16.0741 -16.0741 -7.1807 -7.1807 -6.9492 -6.9492 3.4445 3.4445 4.5431 4.5431 5.8710 5.8710 5.9510 5.9510 5.9955 5.9955 6.0786 6.0786 7.9406 7.9406 9.0286 9.0286 10.8081 10.8081 10.8721 10.8721 11.2416 11.2416 11.4340 11.4340 11.4680 11.4680 k = 0.1111 0.0213 0.0126 ( 3147 PWs) bands (ev): -38.9424 -38.9424 -38.8412 -38.8412 -18.1884 -18.1884 -17.9207 -17.9207 -16.5584 -16.5584 -16.1953 -16.1953 -16.1879 -16.1879 -16.0741 -16.0741 -7.1826 -7.1826 -6.9472 -6.9472 3.4326 3.4326 4.5629 4.5629 5.8689 5.8689 5.9488 5.9488 5.9980 5.9980 6.0811 6.0811 7.9173 7.9173 9.0436 9.0436 10.8080 10.8080 10.8720 10.8720 11.2394 11.2394 11.4309 11.4309 11.4649 11.4649 k = 0.0833 0.0160 0.0095 ( 3151 PWs) bands (ev): -38.9424 -38.9424 -38.8412 -38.8412 -18.1884 -18.1884 -17.9207 -17.9207 -16.5584 -16.5584 -16.1953 -16.1953 -16.1879 -16.1879 -16.0741 -16.0741 -7.1841 -7.1841 -6.9456 -6.9456 3.4232 3.4232 4.5787 4.5787 5.8672 5.8672 5.9471 5.9471 5.9999 5.9999 6.0830 6.0830 7.8987 7.8987 9.0554 9.0554 10.8080 10.8080 10.8719 10.8719 11.2376 11.2376 11.4284 11.4284 11.4624 11.4624 k = 0.0556 0.0107 0.0063 ( 3145 PWs) bands (ev): -38.9424 -38.9424 -38.8412 -38.8412 -18.1884 -18.1884 -17.9207 -17.9207 -16.5584 -16.5584 -16.1953 -16.1953 -16.1879 -16.1879 -16.0741 -16.0741 -7.1851 -7.1851 -6.9444 -6.9444 3.4164 3.4164 4.5903 4.5903 5.8660 5.8660 5.9458 5.9458 6.0013 6.0013 6.0844 6.0844 7.8852 7.8852 9.0639 9.0639 10.8079 10.8079 10.8718 10.8718 11.2363 11.2363 11.4265 11.4265 11.4605 11.4605 k = 0.0278 0.0053 0.0032 ( 3145 PWs) bands (ev): -38.9424 -38.9424 -38.8412 -38.8412 -18.1884 -18.1884 -17.9207 -17.9207 -16.5584 -16.5584 -16.1953 -16.1953 -16.1879 -16.1879 -16.0741 -16.0741 -7.1858 -7.1858 -6.9437 -6.9437 3.4123 3.4123 4.5974 4.5974 5.8652 5.8652 5.9451 5.9451 6.0021 6.0021 6.0853 6.0853 7.8770 7.8770 9.0690 9.0690 10.8079 10.8079 10.8718 10.8718 11.2355 11.2355 11.4254 11.4254 11.4594 11.4594 k = 0.0000 0.0000 0.0000 ( 3145 PWs) bands (ev): -38.9424 -38.9424 -38.8412 -38.8412 -18.1884 -18.1884 -17.9207 -17.9207 -16.5584 -16.5584 -16.1953 -16.1953 -16.1879 -16.1879 -16.0741 -16.0741 -7.1860 -7.1860 -6.9435 -6.9435 3.4109 3.4109 4.5997 4.5997 5.8650 5.8650 5.9448 5.9448 6.0024 6.0024 6.0856 6.0856 7.8743 7.8743 9.0708 9.0708 10.8079 10.8079 10.8718 10.8718 11.2352 11.2352 11.4250 11.4250 11.4590 11.4590 k = 0.0000 0.0000 0.0000 ( 3145 PWs) bands (ev): -38.9424 -38.9424 -38.8412 -38.8412 -18.1884 -18.1884 -17.9207 -17.9207 -16.5584 -16.5584 -16.1953 -16.1953 -16.1879 -16.1879 -16.0741 -16.0741 -7.1860 -7.1860 -6.9435 -6.9435 3.4109 3.4109 4.5997 4.5997 5.8650 5.8650 5.9448 5.9448 6.0024 6.0024 6.0856 6.0856 7.8743 7.8743 9.0708 9.0708 10.8079 10.8079 10.8718 10.8718 11.2352 11.2352 11.4250 11.4250 11.4590 11.4590 k = 0.0054-0.0137-0.0249 ( 3145 PWs) bands (ev): -38.9423 -38.9423 -38.8412 -38.8412 -18.1885 -18.1885 -17.9209 -17.9209 -16.5585 -16.5585 -16.1976 -16.1976 -16.1859 -16.1859 -16.0743 -16.0743 -7.1855 -7.1855 -6.9431 -6.9431 3.4120 3.4120 4.6004 4.6004 5.8635 5.8635 5.9433 5.9433 6.0000 6.0000 6.0832 6.0832 7.8764 7.8764 9.0703 9.0703 10.8064 10.8064 10.8703 10.8703 11.2363 11.2363 11.4267 11.4267 11.4607 11.4607 k = 0.0109-0.0273-0.0497 ( 3141 PWs) bands (ev): -38.9421 -38.9421 -38.8411 -38.8411 -18.1885 -18.1885 -17.9214 -17.9214 -16.5585 -16.5585 -16.2020 -16.2020 -16.1825 -16.1825 -16.0751 -16.0751 -7.1841 -7.1841 -6.9421 -6.9421 3.4154 3.4154 4.6024 4.6024 5.8589 5.8589 5.9390 5.9390 5.9923 5.9923 6.0765 6.0765 7.8828 7.8828 9.0690 9.0690 10.8012 10.8012 10.8666 10.8666 11.2396 11.2396 11.4314 11.4314 11.4655 11.4655 k = 0.0163-0.0410-0.0746 ( 3139 PWs) bands (ev): -38.9419 -38.9419 -38.8410 -38.8410 -18.1886 -18.1886 -17.9222 -17.9222 -16.5586 -16.5586 -16.2070 -16.2070 -16.1790 -16.1790 -16.0765 -16.0765 -7.1817 -7.1817 -6.9403 -6.9403 3.4209 3.4209 4.6056 4.6056 5.8506 5.8506 5.9325 5.9325 5.9782 5.9782 6.0670 6.0670 7.8931 7.8931 9.0668 9.0668 10.7909 10.7909 10.8626 10.8626 11.2448 11.2448 11.4392 11.4392 11.4733 11.4733 k = 0.0218-0.0547-0.0995 ( 3141 PWs) bands (ev): -38.9415 -38.9415 -38.8409 -38.8409 -18.1888 -18.1888 -17.9234 -17.9234 -16.5587 -16.5587 -16.2124 -16.2124 -16.1758 -16.1758 -16.0783 -16.0783 -7.1783 -7.1783 -6.9379 -6.9379 3.4287 3.4287 4.6102 4.6102 5.8381 5.8381 5.9244 5.9244 5.9563 5.9563 6.0566 6.0566 7.9071 7.9071 9.0638 9.0638 10.7739 10.7739 10.8603 10.8603 11.2519 11.2519 11.4498 11.4498 11.4842 11.4842 k = 0.0272-0.0683-0.1243 ( 3157 PWs) bands (ev): -38.9410 -38.9410 -38.8408 -38.8408 -18.1890 -18.1890 -17.9249 -17.9249 -16.5589 -16.5589 -16.2182 -16.2182 -16.1729 -16.1729 -16.0807 -16.0807 -7.1740 -7.1740 -6.9348 -6.9348 3.4386 3.4386 4.6159 4.6159 5.8205 5.8205 5.9155 5.9155 5.9261 5.9261 6.0464 6.0464 7.9242 7.9242 9.0601 9.0601 10.7500 10.7500 10.8606 10.8606 11.2604 11.2604 11.4629 11.4629 11.4978 11.4978 k = 0.0327-0.0820-0.1492 ( 3153 PWs) bands (ev): -38.9404 -38.9404 -38.8406 -38.8406 -18.1892 -18.1892 -17.9267 -17.9267 -16.5591 -16.5591 -16.2242 -16.2242 -16.1704 -16.1704 -16.0835 -16.0835 -7.1688 -7.1688 -6.9310 -6.9310 3.4506 3.4506 4.6228 4.6228 5.7977 5.7977 5.8872 5.8872 5.9071 5.9071 6.0366 6.0366 7.9441 7.9441 9.0557 9.0557 10.7200 10.7200 10.8636 10.8636 11.2700 11.2700 11.4781 11.4781 11.5140 11.5140 k = 0.0381-0.0956-0.1741 ( 3163 PWs) bands (ev): -38.9397 -38.9397 -38.8405 -38.8405 -18.1895 -18.1895 -17.9289 -17.9289 -16.5593 -16.5593 -16.2306 -16.2306 -16.1682 -16.1682 -16.0867 -16.0867 -7.1626 -7.1626 -6.9266 -6.9266 3.4647 3.4647 4.6308 4.6308 5.7695 5.7695 5.8420 5.8420 5.8979 5.8979 6.0269 6.0269 7.9661 7.9661 9.0506 9.0506 10.6849 10.6849 10.8689 10.8689 11.2804 11.2804 11.4952 11.4952 11.5325 11.5325 k = 0.0435-0.1093-0.1989 ( 3163 PWs) bands (ev): -38.9389 -38.9389 -38.8402 -38.8402 -18.1898 -18.1898 -17.9313 -17.9313 -16.5596 -16.5596 -16.2371 -16.2371 -16.1665 -16.1665 -16.0904 -16.0904 -7.1556 -7.1556 -6.9215 -6.9215 3.4807 3.4807 4.6399 4.6399 5.7364 5.7364 5.7909 5.7909 5.8887 5.8887 6.0170 6.0170 7.9899 7.9899 9.0451 9.0451 10.6456 10.6456 10.8764 10.8764 11.2910 11.2910 11.5138 11.5138 11.5532 11.5532 k = 0.0490-0.1230-0.2238 ( 3167 PWs) bands (ev): -38.9380 -38.9380 -38.8400 -38.8400 -18.1902 -18.1902 -17.9341 -17.9341 -16.5598 -16.5598 -16.2439 -16.2439 -16.1652 -16.1652 -16.0943 -16.0943 -7.1477 -7.1477 -6.9158 -6.9158 3.4986 3.4986 4.6499 4.6499 5.6987 5.6987 5.7348 5.7348 5.8791 5.8791 6.0065 6.0065 8.0150 8.0150 9.0393 9.0393 10.6028 10.6028 10.8860 10.8860 11.3015 11.3015 11.5337 11.5337 11.5755 11.5755 k = 0.0544-0.1366-0.2486 ( 3173 PWs) bands (ev): -38.9370 -38.9370 -38.8397 -38.8397 -18.1906 -18.1906 -17.9372 -17.9372 -16.5602 -16.5602 -16.2510 -16.2510 -16.1643 -16.1643 -16.0985 -16.0985 -7.1389 -7.1389 -6.9094 -6.9094 3.5183 3.5183 4.6607 4.6607 5.6569 5.6569 5.6748 5.6748 5.8689 5.8689 5.9952 5.9952 8.0409 8.0409 9.0331 9.0331 10.5572 10.5572 10.8977 10.8977 11.3116 11.3116 11.5547 11.5547 11.5989 11.5989 k = 0.0599-0.1503-0.2735 ( 3179 PWs) bands (ev): -38.9359 -38.9359 -38.8394 -38.8394 -18.1910 -18.1910 -17.9406 -17.9406 -16.5605 -16.5605 -16.2582 -16.2582 -16.1640 -16.1640 -16.1029 -16.1029 -7.1294 -7.1294 -6.9025 -6.9025 3.5397 3.5397 4.6723 4.6723 5.6103 5.6103 5.6125 5.6125 5.8579 5.8579 5.9831 5.9831 8.0675 8.0675 9.0269 9.0269 10.5093 10.5093 10.9115 10.9115 11.3210 11.3210 11.5765 11.5765 11.6226 11.6226 k = 0.0653-0.1640-0.2984 ( 3175 PWs) bands (ev): -38.9346 -38.9346 -38.8390 -38.8390 -18.1916 -18.1916 -17.9443 -17.9443 -16.5609 -16.5609 -16.2656 -16.2656 -16.1643 -16.1643 -16.1074 -16.1074 -7.1190 -7.1190 -6.8950 -6.8950 3.5626 3.5626 4.6845 4.6845 5.5454 5.5454 5.5626 5.5626 5.8459 5.8459 5.9701 5.9701 8.0942 8.0942 9.0207 9.0207 10.4596 10.4596 10.9274 10.9274 11.3294 11.3294 11.5988 11.5988 11.6460 11.6460 k = 0.0708-0.1776-0.3232 ( 3175 PWs) bands (ev): -38.9333 -38.9333 -38.8386 -38.8386 -18.1921 -18.1921 -17.9482 -17.9482 -16.5612 -16.5612 -16.2732 -16.2732 -16.1653 -16.1653 -16.1119 -16.1119 -7.1079 -7.1079 -6.8869 -6.8869 3.5870 3.5870 4.6972 4.6972 5.4777 5.4777 5.5108 5.5108 5.8329 5.8329 5.9561 5.9561 8.1211 8.1211 9.0146 9.0146 10.4084 10.4084 10.9455 10.9455 11.3368 11.3368 11.6212 11.6212 11.6683 11.6683 k = 0.0762-0.1913-0.3481 ( 3175 PWs) bands (ev): -38.9319 -38.9319 -38.8382 -38.8382 -18.1927 -18.1927 -17.9524 -17.9524 -16.5616 -16.5616 -16.2809 -16.2809 -16.1670 -16.1670 -16.1163 -16.1163 -7.0961 -7.0961 -6.8783 -6.8783 3.6127 3.6127 4.7103 4.7103 5.4084 5.4084 5.4564 5.4564 5.8187 5.8187 5.9412 5.9412 8.1477 8.1477 9.0088 9.0088 10.3563 10.3563 10.9656 10.9656 11.3433 11.3433 11.6427 11.6427 11.6889 11.6889 k = 0.0816-0.2050-0.3730 ( 3179 PWs) bands (ev): -38.9305 -38.9305 -38.8378 -38.8378 -18.1934 -18.1934 -17.9569 -17.9569 -16.5620 -16.5620 -16.2888 -16.2888 -16.1695 -16.1695 -16.1204 -16.1204 -7.0835 -7.0835 -6.8692 -6.8692 3.6395 3.6395 4.7237 4.7237 5.3384 5.3384 5.3997 5.3997 5.8032 5.8032 5.9252 5.9252 8.1741 8.1741 9.0035 9.0035 10.3036 10.3036 10.9877 10.9877 11.3489 11.3489 11.6623 11.6623 11.7080 11.7080 k = 0.0871-0.2186-0.3978 ( 3181 PWs) bands (ev): -38.9289 -38.9289 -38.8374 -38.8374 -18.1941 -18.1941 -17.9617 -17.9617 -16.5625 -16.5625 -16.2968 -16.2968 -16.1729 -16.1729 -16.1241 -16.1241 -7.0704 -7.0704 -6.8596 -6.8596 3.6672 3.6672 4.7372 4.7372 5.2680 5.2680 5.3411 5.3411 5.7864 5.7864 5.9083 5.9083 8.2001 8.2001 8.9987 8.9987 10.2505 10.2505 11.0118 11.0118 11.3540 11.3540 11.6782 11.6782 11.7265 11.7265 k = 0.0925-0.2323-0.4227 ( 3185 PWs) bands (ev): -38.9272 -38.9272 -38.8370 -38.8370 -18.1948 -18.1948 -17.9666 -17.9666 -16.5629 -16.5629 -16.3048 -16.3048 -16.1771 -16.1771 -16.1276 -16.1276 -7.0566 -7.0566 -6.8496 -6.8496 3.6957 3.6957 4.7506 4.7506 5.1977 5.1977 5.2809 5.2809 5.7681 5.7681 5.8903 5.8903 8.2255 8.2255 8.9945 8.9945 10.1973 10.1973 11.0377 11.0377 11.3586 11.3586 11.6891 11.6891 11.7453 11.7453 k = 0.0980-0.2459-0.4476 ( 3189 PWs) bands (ev): -38.9255 -38.9255 -38.8366 -38.8366 -18.1956 -18.1956 -17.9718 -17.9718 -16.5634 -16.5634 -16.3130 -16.3130 -16.1821 -16.1821 -16.1306 -16.1306 -7.0423 -7.0423 -6.8391 -6.8391 3.7248 3.7248 4.7639 4.7639 5.1280 5.1280 5.2194 5.2194 5.7484 5.7484 5.8714 5.8714 8.2505 8.2505 8.9911 8.9911 10.1444 10.1444 11.0652 11.0652 11.3631 11.3631 11.6949 11.6949 11.7646 11.7646 k = 0.1034-0.2596-0.4724 ( 3191 PWs) bands (ev): -38.9238 -38.9238 -38.8362 -38.8362 -18.1964 -18.1964 -17.9773 -17.9773 -16.5638 -16.5638 -16.3212 -16.3212 -16.1878 -16.1878 -16.1335 -16.1335 -7.0274 -7.0274 -6.8283 -6.8283 3.7542 3.7542 4.7767 4.7767 5.0595 5.0595 5.1569 5.1569 5.7272 5.7272 5.8516 5.8516 8.2749 8.2749 8.9885 8.9885 10.0920 10.0920 11.0942 11.0942 11.3679 11.3679 11.6965 11.6965 11.7838 11.7838 k = 0.1089-0.2733-0.4973 ( 3193 PWs) bands (ev): -38.9219 -38.9219 -38.8357 -38.8357 -18.1973 -18.1973 -17.9829 -17.9829 -16.5643 -16.5643 -16.3294 -16.3294 -16.1940 -16.1940 -16.1361 -16.1361 -7.0121 -7.0121 -6.8171 -6.8171 3.7836 3.7836 4.7887 4.7887 4.9928 4.9928 5.0938 5.0938 5.7045 5.7045 5.8308 5.8308 8.2987 8.2987 8.9869 8.9869 10.0403 10.0403 11.1244 11.1244 11.3733 11.3733 11.6953 11.6953 11.8022 11.8022 k = 0.1143-0.2869-0.5222 ( 3189 PWs) bands (ev): -38.9200 -38.9200 -38.8353 -38.8353 -18.1982 -18.1982 -17.9887 -17.9887 -16.5647 -16.5647 -16.3377 -16.3377 -16.2007 -16.2007 -16.1386 -16.1386 -6.9963 -6.9963 -6.8056 -6.8056 3.8127 3.8127 4.7987 4.7987 4.9292 4.9292 5.0303 5.0303 5.6803 5.6803 5.8092 5.8092 8.3219 8.3219 8.9862 8.9862 9.9894 9.9894 11.1556 11.1556 11.3795 11.3795 11.6921 11.6921 11.8192 11.8192 k = 0.1197-0.3006-0.5470 ( 3197 PWs) bands (ev): -38.9180 -38.9180 -38.8349 -38.8349 -18.1991 -18.1991 -17.9946 -17.9946 -16.5652 -16.5652 -16.3459 -16.3459 -16.2077 -16.2077 -16.1410 -16.1410 -6.9802 -6.9802 -6.7938 -6.7938 3.8412 3.8412 4.8023 4.8023 4.8735 4.8735 4.9670 4.9670 5.6545 5.6545 5.7867 5.7867 8.3446 8.3446 8.9865 8.9865 9.9397 9.9397 11.1874 11.1874 11.3868 11.3868 11.6880 11.6880 11.8344 11.8344 k = 0.1252-0.3143-0.5719 ( 3207 PWs) bands (ev): -38.9161 -38.9161 -38.8345 -38.8345 -18.2000 -18.2000 -18.0007 -18.0007 -16.5657 -16.5657 -16.3541 -16.3541 -16.2150 -16.2150 -16.1434 -16.1434 -6.9637 -6.9637 -6.7818 -6.7818 3.8686 3.8686 4.7797 4.7797 4.8448 4.8448 4.9053 4.9053 5.6272 5.6272 5.7634 5.7634 8.3667 8.3667 8.9879 8.9879 9.8912 9.8912 11.2196 11.2196 11.3955 11.3955 11.6836 11.6836 11.8478 11.8478 k = 0.1306-0.3279-0.5968 ( 3207 PWs) bands (ev): -38.9140 -38.9140 -38.8341 -38.8341 -18.2010 -18.2010 -18.0070 -18.0070 -16.5661 -16.5661 -16.3623 -16.3623 -16.2224 -16.2224 -16.1459 -16.1459 -6.9470 -6.9470 -6.7695 -6.7695 3.8945 3.8945 4.7314 4.7314 4.8273 4.8273 4.8610 4.8610 5.5984 5.5984 5.7393 5.7393 8.3883 8.3883 8.9905 8.9905 9.8441 9.8441 11.2518 11.2518 11.4058 11.4058 11.6794 11.6794 11.8594 11.8594 k = 0.1361-0.3416-0.6216 ( 3195 PWs) bands (ev): -38.9118 -38.9118 -38.8337 -38.8337 -18.2020 -18.2020 -18.0133 -18.0133 -16.5666 -16.5666 -16.3704 -16.3704 -16.2299 -16.2299 -16.1485 -16.1485 -6.9300 -6.9300 -6.7571 -6.7571 3.9181 3.9181 4.6803 4.6803 4.7720 4.7720 4.8611 4.8611 5.5681 5.5681 5.7145 5.7145 8.4094 8.4094 8.9942 8.9942 9.7986 9.7986 11.2837 11.2837 11.4179 11.4179 11.6758 11.6758 11.8692 11.8692 k = 0.1415-0.3553-0.6465 ( 3203 PWs) bands (ev): -38.9096 -38.9096 -38.8333 -38.8333 -18.2029 -18.2029 -18.0198 -18.0198 -16.5670 -16.5670 -16.3784 -16.3784 -16.2375 -16.2375 -16.1511 -16.1511 -6.9128 -6.9128 -6.7446 -6.7446 3.9387 3.9387 4.6322 4.6322 4.7112 4.7112 4.8684 4.8684 5.5363 5.5363 5.6889 5.6889 8.4300 8.4300 8.9990 8.9990 9.7547 9.7547 11.3150 11.3150 11.4319 11.4319 11.6732 11.6732 11.8774 11.8774 k = 0.1470-0.3689-0.6714 ( 3203 PWs) bands (ev): -38.9075 -38.9075 -38.8330 -38.8330 -18.2039 -18.2039 -18.0263 -18.0263 -16.5675 -16.5675 -16.3863 -16.3863 -16.2450 -16.2450 -16.1539 -16.1539 -6.8955 -6.8955 -6.7319 -6.7319 3.9555 3.9555 4.5889 4.5889 4.6510 4.6510 4.8761 4.8761 5.5032 5.5032 5.6626 5.6626 8.4502 8.4502 9.0050 9.0050 9.7128 9.7128 11.3451 11.3451 11.4479 11.4479 11.6718 11.6718 11.8842 11.8842 k = 0.1524-0.3826-0.6962 ( 3205 PWs) bands (ev): -38.9053 -38.9053 -38.8326 -38.8326 -18.2049 -18.2049 -18.0329 -18.0329 -16.5680 -16.5680 -16.3940 -16.3940 -16.2525 -16.2525 -16.1568 -16.1568 -6.8781 -6.8781 -6.7192 -6.7192 3.9675 3.9675 4.5508 4.5508 4.5929 4.5929 4.8836 4.8836 5.4688 5.4688 5.6356 5.6356 8.4698 8.4698 9.0122 9.0122 9.6728 9.6728 11.3739 11.3739 11.4659 11.4659 11.6719 11.6719 11.8899 11.8899 k = 0.1579-0.3963-0.7211 ( 3203 PWs) bands (ev): -38.9030 -38.9030 -38.8323 -38.8323 -18.2058 -18.2058 -18.0396 -18.0396 -16.5685 -16.5685 -16.4016 -16.4016 -16.2599 -16.2599 -16.1598 -16.1598 -6.8607 -6.8607 -6.7065 -6.7065 3.9738 3.9738 4.5143 4.5143 4.5419 4.5419 4.8903 4.8903 5.4331 5.4331 5.6080 5.6080 8.4890 8.4890 9.0206 9.0206 9.6350 9.6350 11.4010 11.4010 11.4859 11.4859 11.6738 11.6738 11.8947 11.8947 k = 0.1633-0.4099-0.7459 ( 3209 PWs) bands (ev): -38.9008 -38.9008 -38.8320 -38.8320 -18.2068 -18.2068 -18.0462 -18.0462 -16.5690 -16.5690 -16.4090 -16.4090 -16.2672 -16.2672 -16.1629 -16.1629 -6.8433 -6.8433 -6.6939 -6.6939 3.9739 3.9739 4.4669 4.4669 4.5112 4.5112 4.8963 4.8963 5.3962 5.3962 5.5798 5.5798 8.5077 8.5077 9.0301 9.0301 9.5994 9.5994 11.4258 11.4258 11.5079 11.5079 11.6777 11.6777 11.8989 11.8989 k = 0.1687-0.4236-0.7708 ( 3211 PWs) bands (ev): -38.8986 -38.8986 -38.8318 -38.8318 -18.2077 -18.2077 -18.0529 -18.0529 -16.5696 -16.5696 -16.4162 -16.4162 -16.2743 -16.2743 -16.1662 -16.1662 -6.8259 -6.8259 -6.6812 -6.6812 3.9677 3.9677 4.4137 4.4137 4.4962 4.4962 4.9015 4.9015 5.3583 5.3583 5.5509 5.5509 8.5259 8.5259 9.0407 9.0407 9.5662 9.5662 11.4482 11.4482 11.5317 11.5317 11.6839 11.6839 11.9029 11.9029 k = 0.1742-0.4372-0.7957 ( 3215 PWs) bands (ev): -38.8963 -38.8963 -38.8316 -38.8316 -18.2085 -18.2085 -18.0595 -18.0595 -16.5702 -16.5702 -16.4231 -16.4231 -16.2813 -16.2813 -16.1695 -16.1695 -6.8086 -6.8086 -6.6687 -6.6687 3.9558 3.9558 4.3608 4.3608 4.4902 4.4902 4.9057 4.9057 5.3193 5.3193 5.5216 5.5216 8.5435 8.5435 9.0524 9.0524 9.5355 9.5355 11.4677 11.4677 11.5572 11.5572 11.6927 11.6927 11.9071 11.9071 k = 0.1796-0.4509-0.8205 ( 3221 PWs) bands (ev): -38.8941 -38.8941 -38.8314 -38.8314 -18.2093 -18.2093 -18.0661 -18.0661 -16.5709 -16.5709 -16.4297 -16.4297 -16.2881 -16.2881 -16.1730 -16.1730 -6.7916 -6.7916 -6.6564 -6.6564 3.9392 3.9392 4.3093 4.3093 4.4912 4.4912 4.9091 4.9091 5.2795 5.2795 5.4917 5.4917 8.5606 8.5606 9.0651 9.0651 9.5075 9.5075 11.4841 11.4841 11.5843 11.5843 11.7043 11.7043 11.9117 11.9117 k = 0.1851-0.4646-0.8454 ( 3217 PWs) bands (ev): -38.8918 -38.8918 -38.8312 -38.8312 -18.2101 -18.2101 -18.0727 -18.0727 -16.5716 -16.5716 -16.4360 -16.4360 -16.2947 -16.2947 -16.1766 -16.1766 -6.7747 -6.7747 -6.6442 -6.6442 3.9193 3.9193 4.2599 4.2599 4.4976 4.4976 4.9114 4.9114 5.2390 5.2390 5.4614 5.4614 8.5769 8.5769 9.0788 9.0788 9.4822 9.4822 11.4973 11.4973 11.6125 11.6125 11.7188 11.7188 11.9175 11.9175 k = 0.1905-0.4782-0.8703 ( 3221 PWs) bands (ev): -38.8896 -38.8896 -38.8312 -38.8312 -18.2107 -18.2107 -18.0792 -18.0792 -16.5724 -16.5724 -16.4419 -16.4419 -16.3011 -16.3011 -16.1803 -16.1803 -6.7580 -6.7580 -6.6323 -6.6323 3.8975 3.8975 4.2126 4.2126 4.5078 4.5078 4.9128 4.9128 5.1977 5.1977 5.4307 5.4307 8.5925 8.5925 9.0934 9.0934 9.4598 9.4598 11.5074 11.5074 11.6416 11.6416 11.7361 11.7361 11.9249 11.9249 k = 0.1960-0.4919-0.8951 ( 3227 PWs) bands (ev): -38.8873 -38.8873 -38.8311 -38.8311 -18.2113 -18.2113 -18.0856 -18.0856 -16.5733 -16.5733 -16.4475 -16.4475 -16.3072 -16.3072 -16.1841 -16.1841 -6.7417 -6.7417 -6.6206 -6.6206 3.8747 3.8747 4.1677 4.1677 4.5208 4.5208 4.9131 4.9131 5.1560 5.1560 5.3997 5.3997 8.6072 8.6072 9.1088 9.1088 9.4403 9.4403 11.5149 11.5149 11.6707 11.6707 11.7558 11.7558 11.9348 11.9348 k = 0.2014-0.5056-0.9200 ( 3231 PWs) bands (ev): -38.8851 -38.8851 -38.8311 -38.8311 -18.2118 -18.2118 -18.0918 -18.0918 -16.5744 -16.5744 -16.4526 -16.4526 -16.3132 -16.3132 -16.1879 -16.1879 -6.7257 -6.7257 -6.6093 -6.6093 3.8521 3.8521 4.1252 4.1252 4.5354 4.5354 4.9123 4.9123 5.1139 5.1139 5.3685 5.3685 8.6210 8.6210 9.1249 9.1249 9.4239 9.4239 11.5203 11.5203 11.6993 11.6993 11.7777 11.7777 11.9482 11.9482 k = 0.2068-0.5192-0.9449 ( 3233 PWs) bands (ev): -38.8830 -38.8830 -38.8311 -38.8311 -18.2123 -18.2123 -18.0980 -18.0980 -16.5755 -16.5755 -16.4573 -16.4573 -16.3189 -16.3189 -16.1918 -16.1918 -6.7101 -6.7101 -6.5982 -6.5982 3.8304 3.8304 4.0854 4.0854 4.5509 4.5509 4.9104 4.9104 5.0717 5.0717 5.3373 5.3373 8.6338 8.6338 9.1416 9.1416 9.4106 9.4106 11.5240 11.5240 11.7262 11.7262 11.8014 11.8014 11.9661 11.9661 k = 0.2123-0.5329-0.9697 ( 3233 PWs) bands (ev): -38.8808 -38.8808 -38.8312 -38.8312 -18.2126 -18.2126 -18.1040 -18.1040 -16.5768 -16.5768 -16.4616 -16.4616 -16.3244 -16.3244 -16.1958 -16.1958 -6.6948 -6.6948 -6.5876 -6.5876 3.8100 3.8100 4.0482 4.0482 4.5666 4.5666 4.9071 4.9071 5.0295 5.0295 5.3062 5.3062 8.6454 8.6454 9.1587 9.1587 9.4003 9.4003 11.5266 11.5266 11.7505 11.7505 11.8268 11.8268 11.9894 11.9894 k = 0.2177-0.5466-0.9946 ( 3229 PWs) bands (ev): -38.8786 -38.8786 -38.8313 -38.8313 -18.2128 -18.2128 -18.1099 -18.1099 -16.5783 -16.5783 -16.4653 -16.4653 -16.3297 -16.3297 -16.1998 -16.1998 -6.6800 -6.6800 -6.5773 -6.5773 3.7915 3.7915 4.0139 4.0139 4.5818 4.5818 4.9023 4.9023 4.9878 4.9878 5.2754 5.2754 8.6560 8.6560 9.1763 9.1763 9.3931 9.3931 11.5286 11.5286 11.7713 11.7713 11.8542 11.8542 12.0186 12.0186 k = 0.2232-0.5602-1.0195 ( 3225 PWs) bands (ev): -38.8765 -38.8765 -38.8314 -38.8314 -18.2129 -18.2129 -18.1156 -18.1156 -16.5799 -16.5799 -16.4686 -16.4686 -16.3348 -16.3348 -16.2038 -16.2038 -6.6657 -6.6657 -6.5675 -6.5675 3.7752 3.7752 3.9824 3.9824 4.5961 4.5961 4.8954 4.8954 4.9472 4.9472 5.2451 5.2451 8.6654 8.6654 9.1940 9.1940 9.3889 9.3889 11.5305 11.5305 11.7884 11.7884 11.8837 11.8837 12.0535 12.0535 k = 0.2286-0.5739-1.0443 ( 3227 PWs) bands (ev): -38.8744 -38.8744 -38.8316 -38.8316 -18.2129 -18.2129 -18.1212 -18.1212 -16.5817 -16.5817 -16.4713 -16.4713 -16.3397 -16.3397 -16.2078 -16.2078 -6.6519 -6.6519 -6.5582 -6.5582 3.7613 3.7613 3.9539 3.9539 4.6086 4.6086 4.8847 4.8847 4.9100 4.9100 5.2157 5.2157 8.6737 8.6737 9.2119 9.2119 9.3874 9.3874 11.5326 11.5326 11.8022 11.8022 11.9155 11.9155 12.0935 12.0935 k = 0.2341-0.5875-1.0692 ( 3223 PWs) bands (ev): -38.8724 -38.8724 -38.8319 -38.8319 -18.2128 -18.2128 -18.1266 -18.1266 -16.5836 -16.5836 -16.4735 -16.4735 -16.3444 -16.3444 -16.2118 -16.2118 -6.6387 -6.6387 -6.5494 -6.5494 3.7500 3.7500 3.9284 3.9284 4.6183 4.6183 4.8616 4.8616 4.8854 4.8854 5.1875 5.1875 8.6809 8.6809 9.2298 9.2298 9.3885 9.3885 11.5354 11.5354 11.8135 11.8135 11.9492 11.9492 12.1380 12.1380 k = 0.2395-0.6012-1.0941 ( 3233 PWs) bands (ev): -38.8704 -38.8704 -38.8322 -38.8322 -18.2125 -18.2125 -18.1317 -18.1317 -16.5856 -16.5856 -16.4752 -16.4752 -16.3489 -16.3489 -16.2157 -16.2157 -6.6260 -6.6260 -6.5411 -6.5411 3.7413 3.7413 3.9059 3.9059 4.6235 4.6235 4.8305 4.8305 4.8705 4.8705 5.1608 5.1608 8.6871 8.6871 9.2476 9.2476 9.3919 9.3919 11.5392 11.5392 11.8229 11.8229 11.9847 11.9847 12.1861 12.1861 k = 0.2449-0.6149-1.1189 ( 3233 PWs) bands (ev): -38.8685 -38.8685 -38.8326 -38.8326 -18.2122 -18.2122 -18.1367 -18.1367 -16.5877 -16.5877 -16.4764 -16.4764 -16.3532 -16.3532 -16.2196 -16.2196 -6.6139 -6.6139 -6.5333 -6.5333 3.7355 3.7355 3.8865 3.8865 4.6217 4.6217 4.8037 4.8037 4.8552 4.8552 5.1359 5.1359 8.6924 8.6924 9.2651 9.2651 9.3973 9.3973 11.5443 11.5443 11.8312 11.8312 12.0218 12.0218 12.2373 12.2373 k = 0.2504-0.6285-1.1438 ( 3231 PWs) bands (ev): -38.8666 -38.8666 -38.8330 -38.8330 -18.2117 -18.2117 -18.1415 -18.1415 -16.5899 -16.5899 -16.4771 -16.4771 -16.3573 -16.3573 -16.2234 -16.2234 -6.6024 -6.6024 -6.5261 -6.5261 3.7326 3.7326 3.8702 3.8702 4.6103 4.6103 4.7855 4.7855 4.8377 4.8377 5.1131 5.1131 8.6971 8.6971 9.2823 9.2823 9.4043 9.4043 11.5510 11.5510 11.8387 11.8387 12.0604 12.0604 12.2911 12.2911 k = 0.2558-0.6422-1.1687 ( 3227 PWs) bands (ev): -38.8647 -38.8647 -38.8334 -38.8334 -18.2111 -18.2111 -18.1460 -18.1460 -16.5922 -16.5922 -16.4774 -16.4774 -16.3613 -16.3613 -16.2270 -16.2270 -6.5915 -6.5915 -6.5194 -6.5194 3.7326 3.7326 3.8570 3.8570 4.5886 4.5886 4.7766 4.7766 4.8178 4.8178 5.0926 5.0926 8.7012 8.7012 9.2991 9.2991 9.4126 9.4126 11.5596 11.5596 11.8456 11.8456 12.1003 12.1003 12.3470 12.3470 k = 0.2613-0.6559-1.1935 ( 3227 PWs) bands (ev): -38.8628 -38.8628 -38.8340 -38.8340 -18.2104 -18.2104 -18.1504 -18.1504 -16.5944 -16.5944 -16.4773 -16.4773 -16.3652 -16.3652 -16.2306 -16.2306 -6.5813 -6.5813 -6.5134 -6.5134 3.7355 3.7355 3.8469 3.8469 4.5588 4.5588 4.7743 4.7743 4.7965 4.7965 5.0743 5.0743 8.7048 8.7048 9.3155 9.3155 9.4217 9.4217 11.5702 11.5702 11.8522 11.8522 12.1415 12.1415 12.4046 12.4046 k = 0.2667-0.6695-1.2184 ( 3227 PWs) bands (ev): -38.8611 -38.8611 -38.8345 -38.8345 -18.2095 -18.2095 -18.1545 -18.1545 -16.5966 -16.5966 -16.4768 -16.4768 -16.3689 -16.3689 -16.2340 -16.2340 -6.5717 -6.5717 -6.5080 -6.5080 3.7413 3.7413 3.8399 3.8399 4.5240 4.5240 4.7651 4.7651 4.7844 4.7844 5.0580 5.0580 8.7081 8.7081 9.3313 9.3313 9.4313 9.4313 11.5830 11.5830 11.8583 11.8583 12.1836 12.1836 12.4638 12.4638 k = 0.2722-0.6832-1.2432 ( 3225 PWs) bands (ev): -38.8594 -38.8594 -38.8351 -38.8351 -18.2086 -18.2086 -18.1584 -18.1584 -16.5988 -16.5988 -16.4760 -16.4760 -16.3725 -16.3725 -16.2372 -16.2372 -6.5627 -6.5627 -6.5031 -6.5031 3.7498 3.7498 3.8359 3.8359 4.4863 4.4863 4.7403 4.7403 4.7886 4.7886 5.0436 5.0436 8.7112 8.7112 9.3465 9.3465 9.4409 9.4409 11.5980 11.5980 11.8640 11.8640 12.2266 12.2266 12.5242 12.5242 k = 0.2776-0.6969-1.2681 ( 3225 PWs) bands (ev): -38.8578 -38.8578 -38.8357 -38.8357 -18.2076 -18.2076 -18.1621 -18.1621 -16.6008 -16.6008 -16.4749 -16.4749 -16.3759 -16.3759 -16.2403 -16.2403 -6.5544 -6.5544 -6.4989 -6.4989 3.7611 3.7611 3.8348 3.8348 4.4473 4.4473 4.7122 4.7122 4.7959 4.7959 5.0307 5.0307 8.7142 8.7142 9.3610 9.3610 9.4503 9.4503 11.6152 11.6152 11.8692 11.8692 12.2702 12.2702 12.5856 12.5856 k = 0.2830-0.7105-1.2930 ( 3219 PWs) bands (ev): -38.8562 -38.8562 -38.8364 -38.8364 -18.2065 -18.2065 -18.1655 -18.1655 -16.6028 -16.6028 -16.4736 -16.4736 -16.3793 -16.3793 -16.2431 -16.2431 -6.5468 -6.5468 -6.4953 -6.4953 3.7750 3.7750 3.8366 3.8366 4.4077 4.4077 4.6827 4.6827 4.8041 4.8041 5.0189 5.0189 8.7172 8.7172 9.3750 9.3750 9.4591 9.4591 11.6346 11.6346 11.8737 11.8737 12.3141 12.3141 12.6477 12.6477 k = 0.2885-0.7242-1.3178 ( 3217 PWs) bands (ev): -38.8546 -38.8546 -38.8371 -38.8371 -18.2053 -18.2053 -18.1687 -18.1687 -16.6046 -16.6046 -16.4721 -16.4721 -16.3825 -16.3825 -16.2457 -16.2457 -6.5399 -6.5399 -6.4923 -6.4923 3.7912 3.7912 3.8413 3.8413 4.3682 4.3682 4.6525 4.6525 4.8127 4.8127 5.0081 5.0081 8.7201 8.7201 9.3883 9.3883 9.4670 9.4670 11.6560 11.6560 11.8772 11.8772 12.3578 12.3578 12.7103 12.7103 k = 0.2939-0.7378-1.3427 ( 3215 PWs) bands (ev): -38.8532 -38.8532 -38.8379 -38.8379 -18.2040 -18.2040 -18.1717 -18.1717 -16.6062 -16.6062 -16.4704 -16.4704 -16.3855 -16.3855 -16.2480 -16.2480 -6.5336 -6.5336 -6.4898 -6.4898 3.8092 3.8092 3.8487 3.8487 4.3292 4.3292 4.6222 4.6222 4.8213 4.8213 4.9979 4.9979 8.7231 8.7231 9.4010 9.4010 9.4738 9.4738 11.6793 11.6793 11.8797 11.8797 12.4009 12.4009 12.7730 12.7730 k = 0.2994-0.7515-1.3676 ( 3215 PWs) bands (ev): -38.8518 -38.8518 -38.8387 -38.8387 -18.2027 -18.2027 -18.1745 -18.1745 -16.6076 -16.6076 -16.4686 -16.4686 -16.3884 -16.3884 -16.2500 -16.2500 -6.5280 -6.5280 -6.4880 -6.4880 3.8284 3.8284 3.8589 3.8589 4.2913 4.2913 4.5924 4.5924 4.8299 4.8299 4.9881 4.9881 8.7261 8.7261 9.4130 9.4130 9.4793 9.4793 11.7041 11.7041 11.8807 11.8807 12.4428 12.4428 12.8355 12.8355 k = 0.3048-0.7652-1.3924 ( 3215 PWs) bands (ev): -38.8504 -38.8504 -38.8395 -38.8395 -18.2014 -18.2014 -18.1769 -18.1769 -16.6089 -16.6089 -16.4669 -16.4669 -16.3910 -16.3910 -16.2518 -16.2518 -6.5231 -6.5231 -6.4867 -6.4867 3.8473 3.8473 3.8725 3.8725 4.2551 4.2551 4.5634 4.5634 4.8382 4.8382 4.9785 4.9785 8.7290 8.7290 9.4243 9.4243 9.4834 9.4834 11.7299 11.7299 11.8800 11.8800 12.4826 12.4826 12.8973 12.8973 k = 0.3103-0.7788-1.4173 ( 3215 PWs) bands (ev): -38.8492 -38.8492 -38.8404 -38.8404 -18.2002 -18.2002 -18.1792 -18.1792 -16.6099 -16.6099 -16.4652 -16.4652 -16.3933 -16.3933 -16.2533 -16.2533 -6.5188 -6.5188 -6.4859 -6.4859 3.8644 3.8644 3.8895 3.8895 4.2216 4.2216 4.5361 4.5361 4.8463 4.8463 4.9692 4.9692 8.7318 8.7318 9.4347 9.4347 9.4861 9.4861 11.7561 11.7561 11.8774 11.8774 12.5195 12.5195 12.9576 12.9576 k = 0.3157-0.7925-1.4422 ( 3213 PWs) bands (ev): -38.8479 -38.8479 -38.8413 -38.8413 -18.1990 -18.1990 -18.1810 -18.1810 -16.6108 -16.6108 -16.4637 -16.4637 -16.3954 -16.3954 -16.2544 -16.2544 -6.5152 -6.5152 -6.4855 -6.4855 3.8791 3.8791 3.9082 3.9082 4.1924 4.1924 4.5110 4.5110 4.8541 4.8541 4.9598 4.9598 8.7345 8.7345 9.4441 9.4441 9.4876 9.4876 11.7819 11.7819 11.8727 11.8727 12.5521 12.5521 13.0153 13.0153 k = 0.3211-0.8062-1.4670 ( 3217 PWs) bands (ev): -38.8468 -38.8468 -38.8423 -38.8423 -18.1980 -18.1980 -18.1826 -18.1826 -16.6114 -16.6114 -16.4624 -16.4624 -16.3969 -16.3969 -16.2553 -16.2553 -6.5123 -6.5123 -6.4856 -6.4856 3.8916 3.8916 3.9251 3.9251 4.1702 4.1702 4.4890 4.4890 4.8615 4.8615 4.9505 4.9505 8.7368 8.7368 9.4518 9.4518 9.4884 9.4884 11.8060 11.8060 11.8659 11.8659 12.5794 12.5794 13.0683 13.0683 k = 0.3266-0.8198-1.4919 ( 3217 PWs) bands (ev): -38.8457 -38.8457 -38.8432 -38.8432 -18.1972 -18.1972 -18.1836 -18.1836 -16.6118 -16.6118 -16.4616 -16.4616 -16.3980 -16.3980 -16.2558 -16.2558 -6.5101 -6.5101 -6.4861 -6.4861 3.9012 3.9012 3.9362 3.9362 4.1588 4.1588 4.4709 4.4709 4.8685 4.8685 4.9412 4.9412 8.7387 8.7387 9.4569 9.4569 9.4895 9.4895 11.8270 11.8270 11.8570 11.8570 12.6004 12.6004 13.1132 13.1132 k = 0.3320-0.8335-1.5168 ( 3213 PWs) bands (ev): -38.8447 -38.8447 -38.8442 -38.8442 -18.1969 -18.1969 -18.1840 -18.1840 -16.6119 -16.6119 -16.4612 -16.4612 -16.3985 -16.3985 -16.2561 -16.2561 -6.5087 -6.5087 -6.4868 -6.4868 3.9052 3.9052 3.9394 3.9394 4.1615 4.1615 4.4580 4.4580 4.8750 4.8750 4.9320 4.9320 8.7401 8.7401 9.4582 9.4582 9.4922 9.4922 11.8399 11.8399 11.8492 11.8492 12.6149 12.6149 13.1447 13.1447 k = 0.3375-0.8472-1.5416 ( 3215 PWs) bands (ev): -38.8452 -38.8452 -38.8437 -38.8437 -18.1970 -18.1970 -18.1839 -18.1839 -16.6119 -16.6119 -16.4613 -16.4613 -16.3983 -16.3983 -16.2560 -16.2560 -6.5080 -6.5080 -6.4877 -6.4877 3.8993 3.8993 3.9380 3.9380 4.1784 4.1784 4.4511 4.4511 4.8807 4.8807 4.9232 4.9232 8.7406 8.7406 9.4555 9.4555 9.4968 9.4968 11.8305 11.8305 11.8548 11.8548 12.6242 12.6242 13.1594 13.1594 k = 0.6625-0.7512-1.4849 ( 3215 PWs) bands (ev): -38.8452 -38.8452 -38.8437 -38.8437 -18.1970 -18.1970 -18.1839 -18.1839 -16.6119 -16.6119 -16.4613 -16.4613 -16.3983 -16.3983 -16.2560 -16.2560 -6.5080 -6.5080 -6.4877 -6.4877 3.8993 3.8993 3.9380 3.9380 4.1784 4.1784 4.4511 4.4511 4.8807 4.8807 4.9232 4.9232 8.7406 8.7406 9.4555 9.4555 9.4968 9.4968 11.8305 11.8305 11.8548 11.8548 12.6242 12.6242 13.1594 13.1594 k = 0.6571-0.7230-1.4849 ( 3207 PWs) bands (ev): -38.8461 -38.8461 -38.8428 -38.8428 -18.1975 -18.1975 -18.1832 -18.1832 -16.6116 -16.6116 -16.4620 -16.4620 -16.3975 -16.3975 -16.2556 -16.2556 -6.5082 -6.5082 -6.4887 -6.4887 3.8824 3.8824 3.9355 3.9355 4.2062 4.2062 4.4511 4.4511 4.8851 4.8851 4.9153 4.9153 8.7402 8.7402 9.4499 9.4499 9.5025 9.5025 11.8156 11.8156 11.8550 11.8550 12.6311 12.6311 13.1600 13.1600 k = 0.6517-0.6948-1.4849 ( 3207 PWs) bands (ev): -38.8471 -38.8471 -38.8419 -38.8419 -18.1982 -18.1982 -18.1822 -18.1822 -16.6111 -16.6111 -16.4633 -16.4633 -16.3960 -16.3960 -16.2549 -16.2549 -6.5093 -6.5093 -6.4896 -6.4896 3.8584 3.8584 3.9306 3.9306 4.2415 4.2415 4.4583 4.4583 4.8865 4.8865 4.9100 4.9100 8.7387 8.7387 9.4423 9.4423 9.5083 9.5083 11.7988 11.7988 11.8449 11.8449 12.6394 12.6394 13.1530 13.1530 k = 0.6463-0.6665-1.4849 ( 3207 PWs) bands (ev): -38.8482 -38.8482 -38.8411 -38.8411 -18.1991 -18.1991 -18.1809 -18.1809 -16.6105 -16.6105 -16.4650 -16.4650 -16.3940 -16.3940 -16.2539 -16.2539 -6.5111 -6.5111 -6.4906 -6.4906 3.8307 3.8307 3.9220 3.9220 4.2819 4.2819 4.4729 4.4729 4.8830 4.8830 4.9093 4.9093 8.7359 8.7359 9.4336 9.4336 9.5137 9.5137 11.7801 11.7801 11.8239 11.8239 12.6526 12.6526 13.1435 13.1435 k = 0.6409-0.6383-1.4849 ( 3207 PWs) bands (ev): -38.8492 -38.8492 -38.8403 -38.8403 -18.2000 -18.2000 -18.1795 -18.1795 -16.6096 -16.6096 -16.4672 -16.4672 -16.3915 -16.3915 -16.2527 -16.2527 -6.5136 -6.5136 -6.4916 -6.4916 3.8013 3.8013 3.9096 3.9096 4.3259 4.3259 4.4940 4.4940 4.8761 4.8761 4.9118 4.9118 8.7317 8.7317 9.4241 9.4241 9.5185 9.5185 11.7580 11.7580 11.7943 11.7943 12.6730 12.6730 13.1344 13.1344 k = 0.6354-0.6100-1.4849 ( 3207 PWs) bands (ev): -38.8502 -38.8502 -38.8396 -38.8396 -18.2010 -18.2010 -18.1780 -18.1780 -16.6086 -16.6086 -16.4698 -16.4698 -16.3887 -16.3887 -16.2511 -16.2511 -6.5166 -6.5166 -6.4926 -6.4926 3.7712 3.7712 3.8937 3.8937 4.3725 4.3725 4.5209 4.5209 4.8683 4.8683 4.9155 4.9155 8.7258 8.7258 9.4144 9.4144 9.5224 9.5224 11.7262 11.7262 11.7641 11.7641 12.7015 12.7015 13.1269 13.1269 k = 0.6300-0.5818-1.4849 ( 3207 PWs) bands (ev): -38.8513 -38.8513 -38.8390 -38.8390 -18.2019 -18.2019 -18.1765 -18.1765 -16.6074 -16.6074 -16.4726 -16.4726 -16.3855 -16.3855 -16.2493 -16.2493 -6.5202 -6.5202 -6.4938 -6.4938 3.7410 3.7410 3.8749 3.8749 4.4212 4.4212 4.5523 4.5523 4.8609 4.8609 4.9194 4.9194 8.7182 8.7182 9.4049 9.4049 9.5252 9.5252 11.6796 11.6796 11.7409 11.7409 12.7377 12.7377 13.1219 13.1219 k = 0.6246-0.5536-1.4849 ( 3211 PWs) bands (ev): -38.8523 -38.8523 -38.8384 -38.8384 -18.2028 -18.2028 -18.1749 -18.1749 -16.6060 -16.6060 -16.4756 -16.4756 -16.3822 -16.3822 -16.2473 -16.2473 -6.5241 -6.5241 -6.4951 -6.4951 3.7111 3.7111 3.8540 3.8540 4.4713 4.4713 4.5865 4.5865 4.8547 4.8547 4.9233 4.9233 8.7089 8.7089 9.3958 9.3958 9.5269 9.5269 11.6234 11.6234 11.7221 11.7221 12.7808 12.7808 13.1196 13.1196 k = 0.6192-0.5253-1.4849 ( 3213 PWs) bands (ev): -38.8533 -38.8533 -38.8378 -38.8378 -18.2036 -18.2036 -18.1734 -18.1734 -16.6046 -16.6046 -16.4787 -16.4787 -16.3787 -16.3787 -16.2450 -16.2450 -6.5284 -6.5284 -6.4965 -6.4965 3.6817 3.6817 3.8314 3.8314 4.5224 4.5224 4.6219 4.6219 4.8512 4.8512 4.9271 4.9271 8.6977 8.6977 9.3874 9.3874 9.5272 9.5272 11.5621 11.5621 11.7054 11.7054 12.8296 12.8296 13.1202 13.1202 k = 0.6138-0.4971-1.4849 ( 3215 PWs) bands (ev): -38.8543 -38.8543 -38.8373 -38.8373 -18.2044 -18.2044 -18.1719 -18.1719 -16.6030 -16.6030 -16.4819 -16.4819 -16.3751 -16.3751 -16.2426 -16.2426 -6.5329 -6.5329 -6.4980 -6.4980 3.6531 3.6531 3.8079 3.8079 4.5739 4.5739 4.6556 4.6556 4.8522 4.8522 4.9309 4.9309 8.6849 8.6849 9.3800 9.3800 9.5262 9.5262 11.4981 11.4981 11.6901 11.6901 12.8829 12.8829 13.1240 13.1240 k = 0.6084-0.4688-1.4849 ( 3223 PWs) bands (ev): -38.8553 -38.8553 -38.8369 -38.8369 -18.2052 -18.2052 -18.1704 -18.1704 -16.6013 -16.6013 -16.4852 -16.4852 -16.3715 -16.3715 -16.2399 -16.2399 -6.5375 -6.5375 -6.4997 -6.4997 3.6252 3.6252 3.7839 3.7839 4.6248 4.6248 4.6849 4.6849 4.8605 4.8605 4.9351 4.9351 8.6706 8.6706 9.3736 9.3736 9.5237 9.5237 11.4329 11.4329 11.6761 11.6761 12.9398 12.9398 13.1310 13.1310 k = 0.6029-0.4406-1.4849 ( 3225 PWs) bands (ev): -38.8563 -38.8563 -38.8364 -38.8364 -18.2059 -18.2059 -18.1690 -18.1690 -16.5995 -16.5995 -16.4885 -16.4885 -16.3679 -16.3679 -16.2371 -16.2371 -6.5422 -6.5422 -6.5015 -6.5015 3.5983 3.5983 3.7596 3.7596 4.6710 4.6710 4.7101 4.7101 4.8778 4.8778 4.9411 4.9411 8.6548 8.6548 9.3683 9.3683 9.5198 9.5198 11.3675 11.3675 11.6633 11.6633 12.9992 12.9992 13.1418 13.1418 k = 0.5975-0.4124-1.4849 ( 3233 PWs) bands (ev): -38.8573 -38.8573 -38.8360 -38.8360 -18.2065 -18.2065 -18.1676 -18.1676 -16.5977 -16.5977 -16.4918 -16.4918 -16.3644 -16.3644 -16.2341 -16.2341 -6.5471 -6.5471 -6.5034 -6.5034 3.5724 3.5724 3.7355 3.7355 4.6970 4.6970 4.7457 4.7457 4.9000 4.9000 4.9529 4.9529 8.6379 8.6379 9.3642 9.3642 9.5144 9.5144 11.3028 11.3028 11.6517 11.6517 13.0595 13.0595 13.1574 13.1574 k = 0.5921-0.3841-1.4849 ( 3217 PWs) bands (ev): -38.8581 -38.8581 -38.8356 -38.8356 -18.2072 -18.2072 -18.1663 -18.1663 -16.5959 -16.5959 -16.4950 -16.4950 -16.3609 -16.3609 -16.2310 -16.2310 -6.5519 -6.5519 -6.5053 -6.5053 3.5476 3.5476 3.7117 3.7117 4.7029 4.7029 4.7936 4.7936 4.9162 4.9162 4.9788 4.9788 8.6202 8.6202 9.3612 9.3612 9.5076 9.5076 11.2392 11.2392 11.6412 11.6412 13.1174 13.1174 13.1809 13.1809 k = 0.5867-0.3559-1.4849 ( 3213 PWs) bands (ev): -38.8590 -38.8590 -38.8352 -38.8352 -18.2078 -18.2078 -18.1650 -18.1650 -16.5940 -16.5940 -16.4981 -16.4981 -16.3576 -16.3576 -16.2279 -16.2279 -6.5567 -6.5567 -6.5073 -6.5073 3.5239 3.5239 3.6884 3.6884 4.7012 4.7012 4.8438 4.8438 4.9235 4.9235 5.0184 5.0184 8.6018 8.6018 9.3592 9.3592 9.4995 9.4995 11.1772 11.1772 11.6316 11.6316 13.1636 13.1636 13.2211 13.2211 k = 0.5813-0.3277-1.4849 ( 3213 PWs) bands (ev): -38.8598 -38.8598 -38.8349 -38.8349 -18.2083 -18.2083 -18.1638 -18.1638 -16.5921 -16.5921 -16.5012 -16.5012 -16.3544 -16.3544 -16.2247 -16.2247 -6.5614 -6.5614 -6.5093 -6.5093 3.5014 3.5014 3.6659 3.6659 4.6962 4.6962 4.8936 4.8936 4.9269 4.9269 5.0646 5.0646 8.5832 8.5832 9.3581 9.3581 9.4903 9.4903 11.1170 11.1170 11.6229 11.6229 13.1968 13.1968 13.2790 13.2790 k = 0.5758-0.2994-1.4849 ( 3215 PWs) bands (ev): -38.8606 -38.8606 -38.8347 -38.8347 -18.2088 -18.2088 -18.1627 -18.1627 -16.5902 -16.5902 -16.5041 -16.5041 -16.3514 -16.3514 -16.2215 -16.2215 -6.5660 -6.5660 -6.5113 -6.5113 3.4802 3.4802 3.6443 3.6443 4.6895 4.6895 4.9269 4.9269 4.9441 4.9441 5.1135 5.1135 8.5646 8.5646 9.3578 9.3578 9.4802 9.4802 11.0589 11.0589 11.6150 11.6150 13.2274 13.2274 13.3442 13.3442 k = 0.5704-0.2712-1.4849 ( 3215 PWs) bands (ev): -38.8614 -38.8614 -38.8344 -38.8344 -18.2093 -18.2093 -18.1617 -18.1617 -16.5884 -16.5884 -16.5069 -16.5069 -16.3485 -16.3485 -16.2183 -16.2183 -6.5704 -6.5704 -6.5133 -6.5133 3.4603 3.4603 3.6237 3.6237 4.6821 4.6821 4.9280 4.9280 4.9909 4.9909 5.1633 5.1633 8.5463 8.5463 9.3582 9.3582 9.4693 9.4693 11.0031 11.0031 11.6078 11.6078 13.2599 13.2599 13.4119 13.4119 k = 0.5650-0.2429-1.4849 ( 3215 PWs) bands (ev): -38.8620 -38.8620 -38.8342 -38.8342 -18.2098 -18.2098 -18.1607 -18.1607 -16.5866 -16.5866 -16.5096 -16.5096 -16.3458 -16.3458 -16.2152 -16.2152 -6.5747 -6.5747 -6.5153 -6.5153 3.4417 3.4417 3.6042 3.6042 4.6743 4.6743 4.9280 4.9280 5.0364 5.0364 5.2127 5.2127 8.5285 8.5285 9.3591 9.3591 9.4579 9.4579 10.9498 10.9498 11.6013 11.6013 13.2955 13.2955 13.4806 13.4806 k = 0.5596-0.2147-1.4849 ( 3209 PWs) bands (ev): -38.8627 -38.8627 -38.8340 -38.8340 -18.2102 -18.2102 -18.1598 -18.1598 -16.5848 -16.5848 -16.5121 -16.5121 -16.3432 -16.3432 -16.2121 -16.2121 -6.5788 -6.5788 -6.5171 -6.5171 3.4244 3.4244 3.5859 3.5859 4.6665 4.6665 4.9275 4.9275 5.0798 5.0798 5.2610 5.2610 8.5115 8.5115 9.3605 9.3605 9.4462 9.4462 10.8991 10.8991 11.5953 11.5953 13.3347 13.3347 13.5496 13.5496 k = 0.5542-0.1865-1.4849 ( 3201 PWs) bands (ev): -38.8633 -38.8633 -38.8338 -38.8338 -18.2105 -18.2105 -18.1590 -18.1590 -16.5832 -16.5832 -16.5145 -16.5145 -16.3409 -16.3409 -16.2093 -16.2093 -6.5826 -6.5826 -6.5189 -6.5189 3.4085 3.4085 3.5689 3.5689 4.6590 4.6590 4.9268 4.9268 5.1207 5.1207 5.3075 5.3075 8.4954 8.4954 9.3621 9.3621 9.4345 9.4345 10.8514 10.8514 11.5898 11.5898 13.3775 13.3775 13.6186 13.6186 k = 0.5488-0.1582-1.4849 ( 3203 PWs) bands (ev): -38.8639 -38.8639 -38.8336 -38.8336 -18.2109 -18.2109 -18.1583 -18.1583 -16.5816 -16.5816 -16.5166 -16.5166 -16.3388 -16.3388 -16.2065 -16.2065 -6.5861 -6.5861 -6.5206 -6.5206 3.3941 3.3941 3.5534 3.5534 4.6519 4.6519 4.9258 4.9258 5.1587 5.1587 5.3516 5.3516 8.4804 8.4804 9.3640 9.3640 9.4231 9.4231 10.8069 10.8069 11.5847 11.5847 13.4241 13.4241 13.6869 13.6869 k = 0.5433-0.1300-1.4849 ( 3201 PWs) bands (ev): -38.8644 -38.8644 -38.8335 -38.8335 -18.2112 -18.2112 -18.1576 -18.1576 -16.5802 -16.5802 -16.5186 -16.5186 -16.3369 -16.3369 -16.2040 -16.2040 -6.5894 -6.5894 -6.5221 -6.5221 3.3811 3.3811 3.5393 3.5393 4.6452 4.6452 4.9247 4.9247 5.1935 5.1935 5.3928 5.3928 8.4667 8.4667 9.3659 9.3659 9.4121 9.4121 10.7658 10.7658 11.5802 11.5802 13.4743 13.4743 13.7542 13.7542 k = 0.5379-0.1017-1.4849 ( 3199 PWs) bands (ev): -38.8648 -38.8648 -38.8334 -38.8334 -18.2114 -18.2114 -18.1570 -18.1570 -16.5789 -16.5789 -16.5204 -16.5204 -16.3352 -16.3352 -16.2017 -16.2017 -6.5923 -6.5923 -6.5236 -6.5236 3.3696 3.3696 3.5267 3.5267 4.6392 4.6392 4.9236 4.9236 5.2250 5.2250 5.4305 5.4305 8.4543 8.4543 9.3678 9.3678 9.4019 9.4019 10.7286 10.7286 11.5761 11.5761 13.5281 13.5281 13.8196 13.8196 k = 0.5325-0.0735-1.4849 ( 3205 PWs) bands (ev): -38.8653 -38.8653 -38.8333 -38.8333 -18.2117 -18.2117 -18.1565 -18.1565 -16.5777 -16.5777 -16.5220 -16.5220 -16.3337 -16.3337 -16.1996 -16.1996 -6.5949 -6.5949 -6.5248 -6.5248 3.3595 3.3595 3.5156 3.5156 4.6338 4.6338 4.9225 4.9225 5.2528 5.2528 5.4642 5.4642 8.4434 8.4434 9.3696 9.3696 9.3927 9.3927 10.6954 10.6954 11.5726 11.5726 13.5853 13.5853 13.8824 13.8824 k = 0.5271-0.0453-1.4849 ( 3203 PWs) bands (ev): -38.8656 -38.8656 -38.8332 -38.8332 -18.2119 -18.2119 -18.1561 -18.1561 -16.5767 -16.5767 -16.5233 -16.5233 -16.3324 -16.3324 -16.1978 -16.1978 -6.5971 -6.5971 -6.5259 -6.5259 3.3510 3.3510 3.5062 3.5062 4.6292 4.6292 4.9215 4.9215 5.2768 5.2768 5.4936 5.4936 8.4341 8.4341 9.3710 9.3710 9.3847 9.3847 10.6667 10.6667 11.5695 11.5695 13.6456 13.6456 13.9416 13.9416 k = 0.5217-0.0170-1.4849 ( 3207 PWs) bands (ev): -38.8659 -38.8659 -38.8331 -38.8331 -18.2120 -18.2120 -18.1558 -18.1558 -16.5758 -16.5758 -16.5244 -16.5244 -16.3314 -16.3314 -16.1963 -16.1963 -6.5989 -6.5989 -6.5268 -6.5268 3.3440 3.3440 3.4985 3.4985 4.6254 4.6254 4.9206 4.9206 5.2966 5.2966 5.5182 5.5182 8.4265 8.4265 9.3717 9.3717 9.3785 9.3785 10.6427 10.6427 11.5669 11.5669 13.7087 13.7087 13.9955 13.9955 k = 0.5163 0.0112-1.4849 ( 3205 PWs) bands (ev): -38.8661 -38.8661 -38.8331 -38.8331 -18.2122 -18.2122 -18.1555 -18.1555 -16.5752 -16.5752 -16.5253 -16.5253 -16.3306 -16.3306 -16.1952 -16.1952 -6.6003 -6.6003 -6.5275 -6.5275 3.3386 3.3386 3.4924 3.4924 4.6223 4.6223 4.9198 4.9198 5.3123 5.3123 5.5377 5.5377 8.4204 8.4204 9.3699 9.3699 9.3760 9.3760 10.6238 10.6238 11.5649 11.5649 13.7741 13.7741 14.0417 14.0417 k = 0.5108 0.0394-1.4849 ( 3195 PWs) bands (ev): -38.8662 -38.8662 -38.8330 -38.8330 -18.2123 -18.2123 -18.1553 -18.1553 -16.5747 -16.5747 -16.5260 -16.5260 -16.3300 -16.3300 -16.1943 -16.1943 -6.6014 -6.6014 -6.5280 -6.5280 3.3347 3.3347 3.4881 3.4881 4.6202 4.6202 4.9193 4.9193 5.3236 5.3236 5.5518 5.5518 8.4161 8.4161 9.3667 9.3667 9.3761 9.3761 10.6101 10.6101 11.5635 11.5635 13.8409 13.8409 14.0732 14.0732 k = 0.5054 0.0677-1.4849 ( 3192 PWs) bands (ev): -38.8663 -38.8663 -38.8330 -38.8330 -18.2123 -18.2123 -18.1552 -18.1552 -16.5744 -16.5744 -16.5263 -16.5263 -16.3297 -16.3297 -16.1938 -16.1938 -6.6020 -6.6020 -6.5283 -6.5283 3.3323 3.3323 3.4855 3.4855 4.6188 4.6188 4.9189 4.9189 5.3304 5.3304 5.5604 5.5604 8.4135 8.4135 9.3644 9.3644 9.3764 9.3764 10.6018 10.6018 11.5626 11.5626 13.9067 13.9067 14.0523 14.0523 k = 0.5000 0.0959-1.4849 ( 3190 PWs) bands (ev): -38.8663 -38.8663 -38.8330 -38.8330 -18.2123 -18.2123 -18.1552 -18.1552 -16.5743 -16.5743 -16.5265 -16.5265 -16.3296 -16.3296 -16.1936 -16.1936 -6.6022 -6.6022 -6.5284 -6.5284 3.3315 3.3315 3.4846 3.4846 4.6184 4.6184 4.9188 4.9188 5.3326 5.3326 5.5632 5.5632 8.4126 8.4126 9.3636 9.3636 9.3766 9.3766 10.5990 10.5990 11.5623 11.5623 13.9509 13.9509 14.0134 14.0134 k = 0.5000 0.0959-1.4849 ( 3190 PWs) bands (ev): -38.8663 -38.8663 -38.8330 -38.8330 -18.2123 -18.2123 -18.1552 -18.1552 -16.5743 -16.5743 -16.5265 -16.5265 -16.3296 -16.3296 -16.1936 -16.1936 -6.6022 -6.6022 -6.5284 -6.5284 3.3315 3.3315 3.4846 3.4846 4.6184 4.6184 4.9188 4.9188 5.3326 5.3326 5.5632 5.5632 8.4126 8.4126 9.3636 9.3636 9.3766 9.3766 10.5990 10.5990 11.5623 11.5623 13.9509 13.9509 14.0134 14.0134 k = 0.5232 0.1004-1.4768 ( 3194 PWs) bands (ev): -38.8664 -38.8664 -38.8330 -38.8330 -18.2123 -18.2123 -18.1551 -18.1551 -16.5743 -16.5743 -16.5265 -16.5265 -16.3295 -16.3295 -16.1936 -16.1936 -6.6022 -6.6022 -6.5284 -6.5284 3.3319 3.3319 3.4846 3.4846 4.6182 4.6182 4.9187 4.9187 5.3329 5.3329 5.5630 5.5630 8.4121 8.4121 9.3642 9.3642 9.3770 9.3770 10.5988 10.5988 11.5627 11.5627 13.9519 13.9519 14.0131 14.0131 k = 0.5464 0.1048-1.4687 ( 3196 PWs) bands (ev): -38.8664 -38.8664 -38.8330 -38.8330 -18.2123 -18.2123 -18.1551 -18.1551 -16.5743 -16.5743 -16.5264 -16.5264 -16.3295 -16.3295 -16.1936 -16.1936 -6.6022 -6.6022 -6.5285 -6.5285 3.3328 3.3328 3.4847 3.4847 4.6175 4.6175 4.9182 4.9182 5.3336 5.3336 5.5622 5.5622 8.4106 8.4106 9.3658 9.3658 9.3784 9.3784 10.5982 10.5982 11.5637 11.5637 13.9549 13.9549 14.0124 14.0124 k = 0.5697 0.1093-1.4606 ( 3204 PWs) bands (ev): -38.8664 -38.8664 -38.8330 -38.8330 -18.2124 -18.2124 -18.1551 -18.1551 -16.5743 -16.5743 -16.5264 -16.5264 -16.3295 -16.3295 -16.1936 -16.1936 -6.6022 -6.6022 -6.5287 -6.5287 3.3344 3.3344 3.4848 3.4848 4.6164 4.6164 4.9175 4.9175 5.3349 5.3349 5.5609 5.5609 8.4082 8.4082 9.3680 9.3680 9.3810 9.3810 10.5972 10.5972 11.5653 11.5653 13.9597 13.9597 14.0113 14.0113 k = 0.5929 0.1137-1.4525 ( 3204 PWs) bands (ev): -38.8664 -38.8664 -38.8330 -38.8330 -18.2124 -18.2124 -18.1550 -18.1550 -16.5743 -16.5743 -16.5263 -16.5263 -16.3295 -16.3295 -16.1936 -16.1936 -6.6022 -6.6022 -6.5289 -6.5289 3.3366 3.3366 3.4850 3.4850 4.6149 4.6149 4.9165 4.9165 5.3366 5.3366 5.5592 5.5592 8.4049 8.4049 9.3703 9.3703 9.3854 9.3854 10.5959 10.5959 11.5676 11.5676 13.9658 13.9658 14.0103 14.0103 k = 0.6161 0.1182-1.4444 ( 3200 PWs) bands (ev): -38.8665 -38.8665 -38.8330 -38.8330 -18.2124 -18.2124 -18.1549 -18.1549 -16.5743 -16.5743 -16.5262 -16.5262 -16.3295 -16.3295 -16.1935 -16.1935 -6.6023 -6.6023 -6.5292 -6.5292 3.3393 3.3393 3.4852 3.4852 4.6130 4.6130 4.9152 4.9152 5.3389 5.3389 5.5569 5.5569 8.4008 8.4008 9.3724 9.3724 9.3916 9.3916 10.5942 10.5942 11.5705 11.5705 13.9722 13.9722 14.0103 14.0103 k = 0.6393 0.1227-1.4362 ( 3195 PWs) bands (ev): -38.8665 -38.8665 -38.8329 -38.8329 -18.2124 -18.2124 -18.1547 -18.1547 -16.5743 -16.5743 -16.5260 -16.5260 -16.3295 -16.3295 -16.1935 -16.1935 -6.6023 -6.6023 -6.5295 -6.5295 3.3425 3.3425 3.4855 3.4855 4.6109 4.6109 4.9137 4.9137 5.3416 5.3416 5.5542 5.5542 8.3961 8.3961 9.3742 9.3742 9.3994 9.3994 10.5922 10.5922 11.5739 11.5739 13.9769 13.9769 14.0131 14.0131 k = 0.6625 0.1271-1.4281 ( 3197 PWs) bands (ev): -38.8665 -38.8665 -38.8329 -38.8329 -18.2124 -18.2124 -18.1546 -18.1546 -16.5744 -16.5744 -16.5259 -16.5259 -16.3295 -16.3295 -16.1934 -16.1934 -6.6024 -6.6024 -6.5299 -6.5299 3.3461 3.3461 3.4859 3.4859 4.6086 4.6086 4.9119 4.9119 5.3447 5.3447 5.5511 5.5511 8.3909 8.3909 9.3757 9.3757 9.4084 9.4084 10.5901 10.5901 11.5777 11.5777 13.9780 13.9780 14.0204 14.0204 k = 0.6625 0.1271-1.4281 ( 3197 PWs) bands (ev): -38.8665 -38.8665 -38.8329 -38.8329 -18.2124 -18.2124 -18.1546 -18.1546 -16.5744 -16.5744 -16.5259 -16.5259 -16.3295 -16.3295 -16.1934 -16.1934 -6.6024 -6.6024 -6.5299 -6.5299 3.3461 3.3461 3.4859 3.4859 4.6086 4.6086 4.9119 4.9119 5.3447 5.3447 5.5511 5.5511 8.3909 8.3909 9.3757 9.3757 9.4084 9.4084 10.5901 10.5901 11.5777 11.5777 13.9780 13.9780 14.0204 14.0204 k = 0.6594 0.1265-1.3996 ( 3200 PWs) bands (ev): -38.8669 -38.8669 -38.8329 -38.8329 -18.2126 -18.2126 -18.1535 -18.1535 -16.5746 -16.5746 -16.5246 -16.5246 -16.3293 -16.3293 -16.1930 -16.1930 -6.6053 -6.6053 -6.5303 -6.5303 3.3556 3.3556 3.4883 3.4883 4.6032 4.6032 4.9155 4.9155 5.3455 5.3455 5.5537 5.5537 8.3937 8.3937 9.3547 9.3547 9.4245 9.4245 10.5937 10.5937 11.5754 11.5754 13.9534 13.9534 14.0364 14.0364 k = 0.6563 0.1259-1.3710 ( 3200 PWs) bands (ev): -38.8674 -38.8674 -38.8328 -38.8328 -18.2129 -18.2129 -18.1517 -18.1517 -16.5749 -16.5749 -16.5227 -16.5227 -16.3289 -16.3289 -16.1923 -16.1923 -6.6093 -6.6093 -6.5315 -6.5315 3.3683 3.3683 3.4940 3.4940 4.5971 4.5971 4.9190 4.9190 5.3473 5.3473 5.5570 5.5570 8.3978 8.3978 9.3316 9.3316 9.4403 9.4403 10.5988 10.5988 11.5725 11.5725 13.9149 13.9149 14.0188 14.0188 k = 0.6531 0.1253-1.3425 ( 3202 PWs) bands (ev): -38.8682 -38.8682 -38.8326 -38.8326 -18.2132 -18.2132 -18.1494 -18.1494 -16.5753 -16.5753 -16.5201 -16.5201 -16.3285 -16.3285 -16.1914 -16.1914 -6.6144 -6.6144 -6.5334 -6.5334 3.3839 3.3839 3.5029 3.5029 4.5903 4.5903 4.9225 4.9225 5.3501 5.3501 5.5612 5.5612 8.4032 8.4032 9.3074 9.3074 9.4550 9.4550 10.6053 10.6053 11.5690 11.5690 13.8686 13.8686 13.9685 13.9685 k = 0.6500 0.1247-1.3139 ( 3203 PWs) bands (ev): -38.8690 -38.8690 -38.8324 -38.8324 -18.2136 -18.2136 -18.1466 -18.1466 -16.5757 -16.5757 -16.5170 -16.5170 -16.3279 -16.3279 -16.1904 -16.1904 -6.6205 -6.6205 -6.5360 -6.5360 3.4025 3.4025 3.5152 3.5152 4.5829 4.5829 4.9257 4.9257 5.3539 5.3539 5.5660 5.5660 8.4097 8.4097 9.2823 9.2823 9.4683 9.4683 10.6131 10.6131 11.5650 11.5650 13.8158 13.8158 13.9023 13.9023 k = 0.6469 0.1241-1.2854 ( 3205 PWs) bands (ev): -38.8701 -38.8701 -38.8322 -38.8322 -18.2139 -18.2139 -18.1433 -18.1433 -16.5761 -16.5761 -16.5134 -16.5134 -16.3272 -16.3272 -16.1891 -16.1891 -6.6276 -6.6276 -6.5394 -6.5394 3.4240 3.4240 3.5308 3.5308 4.5750 4.5750 4.9286 4.9286 5.3586 5.3586 5.5716 5.5716 8.4173 8.4173 9.2565 9.2565 9.4804 9.4804 10.6223 10.6223 11.5603 11.5603 13.7569 13.7569 13.8266 13.8266 k = 0.6438 0.1235-1.2568 ( 3199 PWs) bands (ev): -38.8712 -38.8712 -38.8321 -38.8321 -18.2142 -18.2142 -18.1395 -18.1395 -16.5764 -16.5764 -16.5094 -16.5094 -16.3262 -16.3262 -16.1876 -16.1876 -6.6356 -6.6356 -6.5435 -6.5435 3.4480 3.4480 3.5498 3.5498 4.5668 4.5668 4.9311 4.9311 5.3643 5.3643 5.5780 5.5780 8.4258 8.4258 9.2303 9.2303 9.4913 9.4913 10.6328 10.6328 11.5550 11.5550 13.6905 13.6905 13.7438 13.7438 k = 0.6406 0.1229-1.2283 ( 3198 PWs) bands (ev): -38.8725 -38.8725 -38.8319 -38.8319 -18.2144 -18.2144 -18.1354 -18.1354 -16.5766 -16.5766 -16.5049 -16.5049 -16.3251 -16.3251 -16.1859 -16.1859 -6.6445 -6.6445 -6.5484 -6.5484 3.4746 3.4746 3.5721 3.5721 4.5584 4.5584 4.9331 4.9331 5.3709 5.3709 5.5850 5.5850 8.4351 8.4351 9.2039 9.2039 9.5010 9.5010 10.6445 10.6445 11.5490 11.5490 13.6119 13.6119 13.6598 13.6598 k = 0.6375 0.1223-1.1997 ( 3202 PWs) bands (ev): -38.8740 -38.8740 -38.8317 -38.8317 -18.2146 -18.2146 -18.1309 -18.1309 -16.5768 -16.5768 -16.5001 -16.5001 -16.3237 -16.3237 -16.1842 -16.1842 -6.6542 -6.6542 -6.5541 -6.5541 3.5034 3.5034 3.5977 3.5977 4.5500 4.5500 4.9345 4.9345 5.3785 5.3785 5.5928 5.5928 8.4450 8.4450 9.1775 9.1775 9.5097 9.5097 10.6575 10.6575 11.5422 11.5422 13.5174 13.5174 13.5817 13.5817 k = 0.6344 0.1217-1.1711 ( 3212 PWs) bands (ev): -38.8756 -38.8756 -38.8315 -38.8315 -18.2146 -18.2146 -18.1261 -18.1261 -16.5768 -16.5768 -16.4950 -16.4950 -16.3220 -16.3220 -16.1822 -16.1822 -6.6648 -6.6648 -6.5604 -6.5604 3.5341 3.5341 3.6266 3.6266 4.5416 4.5416 4.9352 4.9352 5.3869 5.3869 5.6011 5.6011 8.4551 8.4551 9.1514 9.1514 9.5176 9.5176 10.6717 10.6717 11.5346 11.5346 13.4134 13.4134 13.5067 13.5067 k = 0.6313 0.1211-1.1426 ( 3205 PWs) bands (ev): -38.8772 -38.8772 -38.8314 -38.8314 -18.2146 -18.2146 -18.1210 -18.1210 -16.5768 -16.5768 -16.4895 -16.4895 -16.3200 -16.3200 -16.1802 -16.1802 -6.6760 -6.6760 -6.5675 -6.5675 3.5667 3.5667 3.6587 3.6587 4.5335 4.5335 4.9352 4.9352 5.3961 5.3961 5.6102 5.6102 8.4654 8.4654 9.1260 9.1260 9.5249 9.5249 10.6872 10.6872 11.5262 11.5262 13.3059 13.3059 13.4318 13.4318 k = 0.6281 0.1205-1.1140 ( 3205 PWs) bands (ev): -38.8789 -38.8789 -38.8313 -38.8313 -18.2145 -18.2145 -18.1156 -18.1156 -16.5766 -16.5766 -16.4837 -16.4837 -16.3178 -16.3178 -16.1781 -16.1781 -6.6880 -6.6880 -6.5753 -6.5753 3.6007 3.6007 3.6940 3.6940 4.5259 4.5259 4.9343 4.9343 5.4062 5.4062 5.6198 5.6198 8.4753 8.4753 9.1014 9.1014 9.5317 9.5317 10.7039 10.7039 11.5170 11.5170 13.1977 13.1977 13.3560 13.3560 k = 0.6250 0.1199-1.0855 ( 3205 PWs) bands (ev): -38.8807 -38.8807 -38.8312 -38.8312 -18.2142 -18.2142 -18.1100 -18.1100 -16.5764 -16.5764 -16.4777 -16.4777 -16.3151 -16.3151 -16.1759 -16.1759 -6.7005 -6.7005 -6.5838 -6.5838 3.6359 3.6359 3.7324 3.7324 4.5191 4.5191 4.9325 4.9325 5.4171 5.4171 5.6300 5.6300 8.4847 8.4847 9.0782 9.0782 9.5384 9.5384 10.7218 10.7218 11.5067 11.5067 13.0902 13.0902 13.2793 13.2793 k = 0.6219 0.1193-1.0569 ( 3205 PWs) bands (ev): -38.8826 -38.8826 -38.8311 -38.8311 -18.2139 -18.2139 -18.1041 -18.1041 -16.5760 -16.5760 -16.4715 -16.4715 -16.3122 -16.3122 -16.1736 -16.1736 -6.7137 -6.7137 -6.5928 -6.5928 3.6720 3.6720 3.7736 3.7736 4.5135 4.5135 4.9297 4.9297 5.4287 5.4287 5.6408 5.6408 8.4931 8.4931 9.0566 9.0566 9.5452 9.5452 10.7409 10.7409 11.4955 11.4955 12.9843 12.9843 13.2020 13.2020 k = 0.6188 0.1187-1.0284 ( 3205 PWs) bands (ev): -38.8845 -38.8845 -38.8311 -38.8311 -18.2134 -18.2134 -18.0981 -18.0981 -16.5756 -16.5756 -16.4651 -16.4651 -16.3088 -16.3088 -16.1713 -16.1713 -6.7274 -6.7274 -6.6025 -6.6025 3.7084 3.7084 3.8176 3.8176 4.5094 4.5094 4.9257 4.9257 5.4411 5.4411 5.6521 5.6521 8.5001 8.5001 9.0371 9.0371 9.5524 9.5524 10.7612 10.7612 11.4832 11.4832 12.8805 12.8805 13.1244 13.1244 k = 0.6156 0.1181-0.9998 ( 3209 PWs) bands (ev): -38.8866 -38.8866 -38.8311 -38.8311 -18.2129 -18.2129 -18.0919 -18.0919 -16.5751 -16.5751 -16.4584 -16.4584 -16.3050 -16.3050 -16.1689 -16.1689 -6.7415 -6.7415 -6.6128 -6.6128 3.7448 3.7448 3.8640 3.8640 4.5073 4.5073 4.9207 4.9207 5.4542 5.4542 5.6638 5.6638 8.5055 8.5055 9.0199 9.0199 9.5604 9.5604 10.7826 10.7826 11.4698 11.4698 12.7793 12.7793 13.0466 13.0466 k = 0.6125 0.1175-0.9713 ( 3209 PWs) bands (ev): -38.8886 -38.8886 -38.8311 -38.8311 -18.2123 -18.2123 -18.0856 -18.0856 -16.5746 -16.5746 -16.4516 -16.4516 -16.3009 -16.3009 -16.1666 -16.1666 -6.7561 -6.7561 -6.6236 -6.6236 3.7805 3.7805 3.9126 3.9126 4.5079 4.5079 4.9144 4.9144 5.4679 5.4679 5.6760 5.6760 8.5088 8.5088 9.0051 9.0051 9.5695 9.5695 10.8052 10.8052 11.4553 11.4553 12.6809 12.6809 12.9692 12.9692 k = 0.6094 0.1169-0.9427 ( 3211 PWs) bands (ev): -38.8907 -38.8907 -38.8312 -38.8312 -18.2116 -18.2116 -18.0791 -18.0791 -16.5740 -16.5740 -16.4447 -16.4447 -16.2963 -16.2963 -16.1642 -16.1642 -6.7710 -6.7710 -6.6349 -6.6349 3.8147 3.8147 3.9633 3.9633 4.5119 4.5119 4.9069 4.9069 5.4822 5.4822 5.6886 5.6886 8.5100 8.5100 8.9930 8.9930 9.5800 9.5800 10.8289 10.8289 11.4397 11.4397 12.5858 12.5858 12.8923 12.8923 k = 0.6063 0.1163-0.9141 ( 3203 PWs) bands (ev): -38.8928 -38.8928 -38.8313 -38.8313 -18.2108 -18.2108 -18.0726 -18.0726 -16.5734 -16.5734 -16.4376 -16.4376 -16.2913 -16.2913 -16.1618 -16.1618 -6.7862 -6.7862 -6.6467 -6.6467 3.8465 3.8465 4.0159 4.0159 4.5201 4.5201 4.8983 4.8983 5.4970 5.4970 5.7015 5.7015 8.5090 8.5090 8.9834 8.9834 9.5923 9.5923 10.8537 10.8537 11.4229 11.4229 12.4941 12.4941 12.8162 12.8162 k = 0.6031 0.1157-0.8856 ( 3195 PWs) bands (ev): -38.8949 -38.8949 -38.8314 -38.8314 -18.2099 -18.2099 -18.0660 -18.0660 -16.5727 -16.5727 -16.4303 -16.4303 -16.2860 -16.2860 -16.1595 -16.1595 -6.8017 -6.8017 -6.6588 -6.6588 3.8752 3.8752 4.0700 4.0700 4.5332 4.5332 4.8885 4.8885 5.5124 5.5124 5.7147 5.7147 8.5060 8.5060 8.9760 8.9760 9.6068 9.6068 10.8794 10.8794 11.4049 11.4049 12.4060 12.4060 12.7414 12.7414 k = 0.6000 0.1151-0.8570 ( 3193 PWs) bands (ev): -38.8970 -38.8970 -38.8316 -38.8316 -18.2090 -18.2090 -18.0593 -18.0593 -16.5720 -16.5720 -16.4230 -16.4230 -16.2802 -16.2802 -16.1572 -16.1572 -6.8173 -6.8173 -6.6713 -6.6713 3.8997 3.8997 4.1256 4.1256 4.5521 4.5521 4.8776 4.8776 5.5282 5.5282 5.7282 5.7282 8.5012 8.5012 8.9705 8.9705 9.6237 9.6237 10.9060 10.9060 11.3858 11.3858 12.3217 12.3217 12.6679 12.6679 k = 0.5969 0.1145-0.8285 ( 3195 PWs) bands (ev): -38.8992 -38.8992 -38.8319 -38.8319 -18.2081 -18.2081 -18.0526 -18.0526 -16.5713 -16.5713 -16.4155 -16.4155 -16.2741 -16.2741 -16.1550 -16.1550 -6.8331 -6.8331 -6.6841 -6.6841 3.9194 3.9194 4.1823 4.1823 4.5772 4.5772 4.8660 4.8660 5.5445 5.5445 5.7419 5.7419 8.4949 8.4949 8.9663 8.9663 9.6433 9.6433 10.9333 10.9333 11.3656 11.3656 12.2414 12.2414 12.5959 12.5959 k = 0.5938 0.1139-0.7999 ( 3189 PWs) bands (ev): -38.9014 -38.9014 -38.8321 -38.8321 -18.2071 -18.2071 -18.0459 -18.0459 -16.5707 -16.5707 -16.4079 -16.4079 -16.2677 -16.2677 -16.1527 -16.1527 -6.8490 -6.8490 -6.6972 -6.6972 3.9340 3.9340 4.2398 4.2398 4.6086 4.6086 4.8538 4.8538 5.5611 5.5611 5.7557 5.7557 8.4876 8.4876 8.9629 8.9629 9.6659 9.6659 10.9613 10.9613 11.3444 11.3444 12.1651 12.1651 12.5258 12.5258 k = 0.5906 0.1133-0.7714 ( 3184 PWs) bands (ev): -38.9035 -38.9035 -38.8324 -38.8324 -18.2061 -18.2061 -18.0392 -18.0392 -16.5700 -16.5700 -16.4002 -16.4002 -16.2610 -16.2610 -16.1506 -16.1506 -6.8649 -6.8649 -6.7106 -6.7106 3.9435 3.9435 4.2975 4.2975 4.6462 4.6462 4.8416 4.8416 5.5780 5.5780 5.7696 5.7696 8.4797 8.4797 8.9599 8.9599 9.6915 9.6915 10.9898 10.9898 11.3223 11.3223 12.0930 12.0930 12.4577 12.4577 k = 0.5875 0.1127-0.7428 ( 3183 PWs) bands (ev): -38.9057 -38.9057 -38.8327 -38.8327 -18.2051 -18.2051 -18.0325 -18.0325 -16.5693 -16.5693 -16.3925 -16.3925 -16.2540 -16.2540 -16.1485 -16.1485 -6.8808 -6.8808 -6.7240 -6.7240 3.9481 3.9481 4.3548 4.3548 4.6892 4.6892 4.8303 4.8303 5.5952 5.5952 5.7835 5.7835 8.4716 8.4716 8.9568 8.9568 9.7202 9.7202 11.0185 11.0185 11.2995 11.2995 12.0251 12.0251 12.3916 12.3916 k = 0.5844 0.1121-0.7143 ( 3187 PWs) bands (ev): -38.9079 -38.9079 -38.8330 -38.8330 -18.2041 -18.2041 -18.0259 -18.0259 -16.5686 -16.5686 -16.3846 -16.3846 -16.2468 -16.2468 -16.1465 -16.1465 -6.8966 -6.8966 -6.7376 -6.7376 3.9484 3.9484 4.4102 4.4102 4.7367 4.7367 4.8215 4.8215 5.6125 5.6125 5.7974 5.7974 8.4636 8.4636 8.9532 8.9532 9.7521 9.7521 11.0472 11.0472 11.2762 11.2762 11.9616 11.9616 12.3278 12.3278 k = 0.5813 0.1115-0.6857 ( 3189 PWs) bands (ev): -38.9100 -38.9100 -38.8334 -38.8334 -18.2030 -18.2030 -18.0193 -18.0193 -16.5680 -16.5680 -16.3767 -16.3767 -16.2394 -16.2394 -16.1445 -16.1445 -6.9123 -6.9123 -6.7513 -6.7513 3.9450 3.9450 4.4616 4.4616 4.7844 4.7844 4.8209 4.8209 5.6301 5.6301 5.8112 5.8112 8.4560 8.4560 8.9489 8.9489 9.7870 9.7870 11.0753 11.0753 11.2529 11.2529 11.9025 11.9025 12.2663 12.2663 k = 0.5781 0.1109-0.6571 ( 3185 PWs) bands (ev): -38.9121 -38.9121 -38.8337 -38.8337 -18.2020 -18.2020 -18.0128 -18.0128 -16.5673 -16.5673 -16.3687 -16.3687 -16.2319 -16.2319 -16.1426 -16.1426 -6.9278 -6.9278 -6.7650 -6.7650 3.9385 3.9385 4.5055 4.5055 4.8094 4.8094 4.8540 4.8540 5.6477 5.6477 5.8249 5.8249 8.4489 8.4489 8.9437 8.9437 9.8248 9.8248 11.1020 11.1020 11.2304 11.2304 11.8478 11.8478 12.2071 12.2071 k = 0.5750 0.1103-0.6286 ( 3185 PWs) bands (ev): -38.9142 -38.9142 -38.8341 -38.8341 -18.2010 -18.2010 -18.0065 -18.0065 -16.5667 -16.5667 -16.3607 -16.3607 -16.2244 -16.2244 -16.1407 -16.1407 -6.9431 -6.9431 -6.7786 -6.7786 3.9295 3.9295 4.5374 4.5374 4.8263 4.8263 4.9100 4.9100 5.6654 5.6654 5.8384 5.8384 8.4425 8.4425 8.9375 8.9375 9.8653 9.8653 11.1247 11.1247 11.2111 11.2111 11.7974 11.7974 12.1504 12.1504 k = 0.5719 0.1097-0.6000 ( 3181 PWs) bands (ev): -38.9163 -38.9163 -38.8344 -38.8344 -18.2000 -18.2000 -18.0002 -18.0002 -16.5661 -16.5661 -16.3526 -16.3526 -16.2170 -16.2170 -16.1388 -16.1388 -6.9582 -6.9582 -6.7922 -6.7922 3.9185 3.9185 4.5542 4.5542 4.8561 4.8561 4.9702 4.9702 5.6831 5.6831 5.8516 5.8516 8.4368 8.4368 8.9303 8.9303 9.9084 9.9084 11.1359 11.1359 11.2026 11.2026 11.7513 11.7513 12.0961 12.0961 k = 0.5688 0.1091-0.5715 ( 3177 PWs) bands (ev): -38.9183 -38.9183 -38.8348 -38.8348 -18.1990 -18.1990 -17.9941 -17.9941 -16.5655 -16.5655 -16.3445 -16.3445 -16.2096 -16.2096 -16.1369 -16.1369 -6.9729 -6.9729 -6.8056 -6.8056 3.9059 3.9059 4.5569 4.5569 4.8996 4.8996 5.0324 5.0324 5.7007 5.7007 5.8646 5.8646 8.4319 8.4319 8.9220 8.9220 9.9536 9.9536 11.1278 11.1278 11.2125 11.2125 11.7094 11.7094 12.0442 12.0442 k = 0.5656 0.1085-0.5429 ( 3169 PWs) bands (ev): -38.9202 -38.9202 -38.8352 -38.8352 -18.1981 -18.1981 -17.9882 -17.9882 -16.5649 -16.5649 -16.3363 -16.3363 -16.2024 -16.2024 -16.1350 -16.1350 -6.9873 -6.9873 -6.8189 -6.8189 3.8921 3.8921 4.5492 4.5492 4.9530 4.9530 5.0956 5.0956 5.7182 5.7182 5.8771 5.8771 8.4277 8.4277 8.9128 8.9128 10.0008 10.0008 11.1089 11.1089 11.2322 11.2322 11.6717 11.6717 11.9948 11.9948 k = 0.5625 0.1079-0.5144 ( 3169 PWs) bands (ev): -38.9221 -38.9221 -38.8357 -38.8357 -18.1972 -18.1972 -17.9824 -17.9824 -16.5644 -16.5644 -16.3282 -16.3282 -16.1956 -16.1956 -16.1330 -16.1330 -7.0013 -7.0013 -6.8319 -6.8319 3.8774 3.8774 4.5351 4.5351 5.0128 5.0128 5.1594 5.1594 5.7355 5.7355 5.8892 5.8892 8.4240 8.4240 8.9026 8.9026 10.0497 10.0497 11.0869 11.0869 11.2539 11.2539 11.6377 11.6377 11.9479 11.9479 k = 0.5594 0.1073-0.4858 ( 3169 PWs) bands (ev): -38.9239 -38.9239 -38.8361 -38.8361 -18.1963 -18.1963 -17.9768 -17.9768 -16.5639 -16.5639 -16.3201 -16.3201 -16.1891 -16.1891 -16.1309 -16.1309 -7.0148 -7.0148 -6.8446 -6.8446 3.8622 3.8622 4.5169 4.5169 5.0764 5.0764 5.2232 5.2232 5.7527 5.7527 5.9009 5.9009 8.4210 8.4210 8.8916 8.8916 10.1000 10.1000 11.0642 11.0642 11.2751 11.2751 11.6073 11.6073 11.9034 11.9034 k = 0.5563 0.1067-0.4573 ( 3169 PWs) bands (ev): -38.9257 -38.9257 -38.8365 -38.8365 -18.1955 -18.1955 -17.9714 -17.9714 -16.5633 -16.5633 -16.3120 -16.3120 -16.1833 -16.1833 -16.1285 -16.1285 -7.0279 -7.0279 -6.8570 -6.8570 3.8465 3.8465 4.4963 4.4963 5.1420 5.1420 5.2867 5.2867 5.7696 5.7696 5.9120 5.9120 8.4183 8.4183 8.8799 8.8799 10.1514 10.1514 11.0418 11.0418 11.2949 11.2949 11.5801 11.5801 11.8613 11.8613 k = 0.5531 0.1061-0.4287 ( 3177 PWs) bands (ev): -38.9275 -38.9275 -38.8370 -38.8370 -18.1947 -18.1947 -17.9663 -17.9663 -16.5628 -16.5628 -16.3040 -16.3040 -16.1781 -16.1781 -16.1258 -16.1258 -7.0405 -7.0405 -6.8691 -6.8691 3.8307 3.8307 4.4743 4.4743 5.2086 5.2086 5.3493 5.3493 5.7863 5.7863 5.9226 5.9226 8.4160 8.4160 8.8675 8.8675 10.2036 10.2036 11.0200 11.0200 11.3128 11.3128 11.5557 11.5557 11.8216 11.8216 k = 0.5500 0.1055-0.4001 ( 3177 PWs) bands (ev): -38.9291 -38.9291 -38.8374 -38.8374 -18.1939 -18.1939 -17.9613 -17.9613 -16.5624 -16.5624 -16.2960 -16.2960 -16.1737 -16.1737 -16.1227 -16.1227 -7.0525 -7.0525 -6.8807 -6.8807 3.8149 3.8149 4.4516 4.4516 5.2753 5.2753 5.4108 5.4108 5.8026 5.8026 5.9325 5.9325 8.4138 8.4138 8.8546 8.8546 10.2563 10.2563 10.9992 10.9992 11.3286 11.3286 11.5335 11.5335 11.7843 11.7843 k = 0.5469 0.1049-0.3716 ( 3179 PWs) bands (ev): -38.9307 -38.9307 -38.8378 -38.8378 -18.1932 -18.1932 -17.9566 -17.9566 -16.5619 -16.5619 -16.2881 -16.2881 -16.1701 -16.1701 -16.1192 -16.1192 -7.0640 -7.0640 -6.8918 -6.8918 3.7994 3.7994 4.4288 4.4288 5.3416 5.3416 5.4707 5.4707 5.8187 5.8187 5.9418 5.9418 8.4116 8.4116 8.8413 8.8413 10.3092 10.3092 10.9795 10.9795 11.3424 11.3424 11.5133 11.5133 11.7493 11.7493 k = 0.5438 0.1043-0.3430 ( 3179 PWs) bands (ev): -38.9321 -38.9321 -38.8382 -38.8382 -18.1926 -18.1926 -17.9522 -17.9522 -16.5615 -16.5615 -16.2804 -16.2804 -16.1675 -16.1675 -16.1154 -16.1154 -7.0749 -7.0749 -6.9024 -6.9024 3.7841 3.7841 4.4062 4.4062 5.4067 5.4067 5.5287 5.5287 5.8343 5.8343 5.9503 5.9503 8.4094 8.4094 8.8278 8.8278 10.3620 10.3620 10.9611 10.9611 11.3539 11.3539 11.4948 11.4948 11.7166 11.7166 k = 0.5406 0.1037-0.3145 ( 3179 PWs) bands (ev): -38.9335 -38.9335 -38.8386 -38.8386 -18.1920 -18.1920 -17.9480 -17.9480 -16.5611 -16.5611 -16.2727 -16.2727 -16.1657 -16.1657 -16.1112 -16.1112 -7.0851 -7.0851 -6.9125 -6.9125 3.7694 3.7694 4.3841 4.3841 5.4703 5.4703 5.5843 5.5843 5.8497 5.8497 5.9582 5.9582 8.4071 8.4071 8.8141 8.8141 10.4141 10.4141 10.9440 10.9440 11.3631 11.3631 11.4780 11.4780 11.6863 11.6863 k = 0.5375 0.1031-0.2859 ( 3175 PWs) bands (ev): -38.9348 -38.9348 -38.8389 -38.8389 -18.1914 -18.1914 -17.9441 -17.9441 -16.5607 -16.5607 -16.2652 -16.2652 -16.1646 -16.1646 -16.1069 -16.1069 -7.0947 -7.0947 -6.9220 -6.9220 3.7553 3.7553 4.3627 4.3627 5.5319 5.5319 5.6371 5.6371 5.8647 5.8647 5.9654 5.9654 8.4045 8.4045 8.8004 8.8004 10.4654 10.4654 10.9285 10.9285 11.3692 11.3692 11.4637 11.4637 11.6582 11.6582 k = 0.5344 0.1025-0.2574 ( 3175 PWs) bands (ev): -38.9360 -38.9360 -38.8393 -38.8393 -18.1909 -18.1909 -17.9404 -17.9404 -16.5603 -16.5603 -16.2579 -16.2579 -16.1643 -16.1643 -16.1025 -16.1025 -7.1036 -7.1036 -6.9309 -6.9309 3.7418 3.7418 4.3424 4.3424 5.5909 5.5909 5.6867 5.6867 5.8795 5.8795 5.9718 5.9718 8.4017 8.4017 8.7869 8.7869 10.5153 10.5153 10.9144 10.9144 11.3710 11.3710 11.4532 11.4532 11.6324 11.6324 k = 0.5313 0.1019-0.2288 ( 3178 PWs) bands (ev): -38.9371 -38.9371 -38.8396 -38.8396 -18.1905 -18.1905 -17.9371 -17.9371 -16.5600 -16.5600 -16.2507 -16.2507 -16.1646 -16.1646 -16.0982 -16.0982 -7.1118 -7.1118 -6.9391 -6.9391 3.7293 3.7293 4.3232 4.3232 5.6468 5.6468 5.7327 5.7327 5.8942 5.8942 5.9775 5.9775 8.3987 8.3987 8.7738 8.7738 10.5633 10.5633 10.9019 10.9019 11.3672 11.3672 11.4480 11.4480 11.6089 11.6089 k = 0.5281 0.1013-0.2003 ( 3179 PWs) bands (ev): -38.9382 -38.9382 -38.8399 -38.8399 -18.1901 -18.1901 -17.9341 -17.9341 -16.5596 -16.5596 -16.2437 -16.2437 -16.1654 -16.1654 -16.0941 -16.0941 -7.1193 -7.1193 -6.9467 -6.9467 3.7176 3.7176 4.3054 4.3054 5.6993 5.6993 5.7744 5.7744 5.9088 5.9088 5.9826 5.9826 8.3955 8.3955 8.7612 8.7612 10.6090 10.6090 10.8910 10.8910 11.3582 11.3582 11.4481 11.4481 11.5877 11.5877 k = 0.5250 0.1007-0.1717 ( 3176 PWs) bands (ev): -38.9391 -38.9391 -38.8402 -38.8402 -18.1897 -18.1897 -17.9313 -17.9313 -16.5594 -16.5594 -16.2370 -16.2370 -16.1667 -16.1667 -16.0902 -16.0902 -7.1260 -7.1260 -6.9535 -6.9535 3.7069 3.7069 4.2890 4.2890 5.7477 5.7477 5.8113 5.8113 5.9238 5.9238 5.9870 5.9870 8.3921 8.3921 8.7493 8.7493 10.6516 10.6516 10.8817 10.8817 11.3459 11.3459 11.4517 11.4517 11.5689 11.5689 k = 0.5219 0.1001-0.1431 ( 3174 PWs) bands (ev): -38.9399 -38.9399 -38.8404 -38.8404 -18.1894 -18.1894 -17.9289 -17.9289 -16.5591 -16.5591 -16.2305 -16.2305 -16.1685 -16.1685 -16.0866 -16.0866 -7.1320 -7.1320 -6.9596 -6.9596 3.6973 3.6973 4.2743 4.2743 5.7915 5.7915 5.8427 5.8427 5.9392 5.9392 5.9909 5.9909 8.3887 8.3887 8.7382 8.7382 10.6906 10.6906 10.8742 10.8742 11.3322 11.3322 11.4571 11.4571 11.5525 11.5525 k = 0.5188 0.0995-0.1146 ( 3174 PWs) bands (ev): -38.9406 -38.9406 -38.8407 -38.8407 -18.1891 -18.1891 -17.9268 -17.9268 -16.5589 -16.5589 -16.2242 -16.2242 -16.1706 -16.1706 -16.0834 -16.0834 -7.1372 -7.1372 -6.9649 -6.9649 3.6889 3.6889 4.2614 4.2614 5.8301 5.8301 5.8685 5.8685 5.9550 5.9550 5.9944 5.9944 8.3854 8.3854 8.7282 8.7282 10.7252 10.7252 10.8686 10.8686 11.3186 11.3186 11.4630 11.4630 11.5386 11.5386 k = 0.5156 0.0989-0.0860 ( 3170 PWs) bands (ev): -38.9412 -38.9412 -38.8408 -38.8408 -18.1889 -18.1889 -17.9249 -17.9249 -16.5587 -16.5587 -16.2182 -16.2182 -16.1732 -16.1732 -16.0806 -16.0806 -7.1416 -7.1416 -6.9695 -6.9695 3.6816 3.6816 4.2502 4.2502 5.8631 5.8631 5.8887 5.8887 5.9706 5.9706 5.9978 5.9978 8.3822 8.3822 8.7194 8.7194 10.7545 10.7545 10.8651 10.8651 11.3059 11.3059 11.4683 11.4683 11.5275 11.5275 k = 0.5125 0.0983-0.0575 ( 3166 PWs) bands (ev): -38.9416 -38.9416 -38.8410 -38.8410 -18.1887 -18.1887 -17.9235 -17.9235 -16.5585 -16.5585 -16.2124 -16.2124 -16.1761 -16.1761 -16.0783 -16.0783 -7.1453 -7.1453 -6.9732 -6.9732 3.6756 3.6756 4.2410 4.2410 5.8897 5.8897 5.9042 5.9042 5.9849 5.9849 6.0015 6.0015 8.3794 8.3794 8.7120 8.7120 10.7775 10.7775 10.8642 10.8642 11.2949 11.2949 11.4725 11.4725 11.5192 11.5192 k = 0.5094 0.0977-0.0289 ( 3167 PWs) bands (ev): -38.9420 -38.9420 -38.8411 -38.8411 -18.1885 -18.1885 -17.9223 -17.9223 -16.5584 -16.5584 -16.2070 -16.2070 -16.1793 -16.1793 -16.0764 -16.0764 -7.1481 -7.1481 -6.9761 -6.9761 3.6709 3.6709 4.2338 4.2338 5.9093 5.9093 5.9161 5.9161 5.9963 5.9963 6.0061 6.0061 8.3771 8.3771 8.7061 8.7061 10.7936 10.7936 10.8660 10.8660 11.2858 11.2858 11.4749 11.4749 11.5140 11.5140 k = 0.5063 0.0971-0.0004 ( 3165 PWs) bands (ev): -38.9423 -38.9423 -38.8412 -38.8412 -18.1884 -18.1884 -17.9215 -17.9215 -16.5583 -16.5583 -16.2020 -16.2020 -16.1827 -16.1827 -16.0751 -16.0751 -7.1502 -7.1502 -6.9782 -6.9782 3.6676 3.6676 4.2286 4.2286 5.9210 5.9210 5.9258 5.9258 6.0033 6.0033 6.0118 6.0118 8.3753 8.3753 8.7018 8.7018 10.8033 10.8033 10.8694 10.8694 11.2792 11.2792 11.4758 11.4758 11.5113 11.5113 k = 0.5031 0.0965 0.0282 ( 3157 PWs) bands (ev): -38.9424 -38.9424 -38.8412 -38.8412 -18.1884 -18.1884 -17.9210 -17.9210 -16.5583 -16.5583 -16.1976 -16.1976 -16.1862 -16.1862 -16.0743 -16.0743 -7.1514 -7.1514 -6.9795 -6.9795 3.6655 3.6655 4.2254 4.2254 5.9265 5.9265 5.9325 5.9325 6.0069 6.0069 6.0166 6.0166 8.3742 8.3742 8.6991 8.6991 10.8080 10.8080 10.8727 10.8727 11.2751 11.2751 11.4758 11.4758 11.5104 11.5104 k = 0.5000 0.0959 0.0567 ( 3156 PWs) bands (ev): -38.9425 -38.9425 -38.8412 -38.8412 -18.1883 -18.1883 -17.9208 -17.9208 -16.5582 -16.5582 -16.1953 -16.1953 -16.1882 -16.1882 -16.0741 -16.0741 -7.1518 -7.1518 -6.9799 -6.9799 3.6648 3.6648 4.2244 4.2244 5.9282 5.9282 5.9348 5.9348 6.0081 6.0081 6.0183 6.0183 8.3738 8.3738 8.6983 8.6983 10.8094 10.8094 10.8741 10.8741 11.2737 11.2737 11.4757 11.4757 11.5102 11.5102 k = 0.5000-1.2551-0.7424 ( 3202 PWs) bands (ev): -38.8664 -38.8664 -38.8330 -38.8330 -18.2123 -18.2123 -18.1552 -18.1552 -16.5743 -16.5743 -16.5265 -16.5265 -16.3295 -16.3295 -16.1936 -16.1936 -6.5937 -6.5937 -6.5373 -6.5373 3.3609 3.3609 3.4967 3.4967 4.6030 4.6030 4.8706 4.8706 5.4042 5.4042 5.4844 5.4844 8.3282 8.3282 9.4036 9.4036 9.5158 9.5158 10.5537 10.5537 11.6347 11.6347 13.9424 13.9424 14.0290 14.0290 k = 0.5271-1.2471-0.7377 ( 3202 PWs) bands (ev): -38.8664 -38.8664 -38.8330 -38.8330 -18.2123 -18.2123 -18.1552 -18.1552 -16.5743 -16.5743 -16.5265 -16.5265 -16.3295 -16.3295 -16.1936 -16.1936 -6.5938 -6.5938 -6.5372 -6.5372 3.3607 3.3607 3.4965 3.4965 4.6030 4.6030 4.8711 4.8711 5.4031 5.4031 5.4856 5.4856 8.3288 8.3288 9.4034 9.4034 9.5147 9.5147 10.5541 10.5541 11.6341 11.6341 13.9434 13.9434 14.0278 14.0278 k = 0.5542-1.2392-0.7330 ( 3200 PWs) bands (ev): -38.8664 -38.8664 -38.8330 -38.8330 -18.2123 -18.2123 -18.1551 -18.1551 -16.5743 -16.5743 -16.5265 -16.5265 -16.3295 -16.3295 -16.1936 -16.1936 -6.5941 -6.5941 -6.5369 -6.5369 3.3603 3.3603 3.4961 3.4961 4.6030 4.6030 4.8726 4.8726 5.4000 5.4000 5.4889 5.4889 8.3305 8.3305 9.4029 9.4029 9.5113 9.5113 10.5552 10.5552 11.6323 11.6323 13.9461 13.9461 14.0261 14.0261 k = 0.5813-1.2312-0.7283 ( 3205 PWs) bands (ev): -38.8664 -38.8664 -38.8330 -38.8330 -18.2123 -18.2123 -18.1551 -18.1551 -16.5743 -16.5743 -16.5265 -16.5265 -16.3295 -16.3295 -16.1936 -16.1936 -6.5946 -6.5946 -6.5365 -6.5365 3.3597 3.3597 3.4954 3.4954 4.6030 4.6030 4.8748 4.8748 5.3953 5.3953 5.4939 5.4939 8.3333 8.3333 9.4020 9.4020 9.5057 9.5057 10.5569 10.5569 11.6293 11.6293 13.9505 13.9505 14.0245 14.0245 k = 0.6084-1.2232-0.7235 ( 3205 PWs) bands (ev): -38.8664 -38.8664 -38.8330 -38.8330 -18.2123 -18.2123 -18.1551 -18.1551 -16.5743 -16.5743 -16.5264 -16.5264 -16.3295 -16.3295 -16.1936 -16.1936 -6.5953 -6.5953 -6.5359 -6.5359 3.3588 3.3588 3.4944 3.4944 4.6031 4.6031 4.8779 4.8779 5.3897 5.3897 5.5000 5.5000 8.3372 8.3372 9.4008 9.4008 9.4982 9.4982 10.5593 10.5593 11.6254 11.6254 13.9561 13.9561 14.0232 14.0232 k = 0.6354-1.2152-0.7188 ( 3204 PWs) bands (ev): -38.8664 -38.8664 -38.8330 -38.8330 -18.2124 -18.2124 -18.1551 -18.1551 -16.5743 -16.5743 -16.5264 -16.5264 -16.3295 -16.3295 -16.1936 -16.1936 -6.5961 -6.5961 -6.5351 -6.5351 3.3577 3.3577 3.4933 3.4933 4.6033 4.6033 4.8816 4.8816 5.3835 5.3835 5.5067 5.5067 8.3420 8.3420 9.3993 9.3993 9.4888 9.4888 10.5623 10.5623 11.6206 11.6206 13.9623 13.9623 14.0223 14.0223 k = 0.6625-1.2072-0.7141 ( 3200 PWs) bands (ev): -38.8664 -38.8664 -38.8330 -38.8330 -18.2124 -18.2124 -18.1550 -18.1550 -16.5743 -16.5743 -16.5263 -16.5263 -16.3295 -16.3295 -16.1936 -16.1936 -6.5970 -6.5970 -6.5343 -6.5343 3.3564 3.3564 3.4920 3.4920 4.6036 4.6036 4.8858 4.8858 5.3771 5.3771 5.5138 5.5138 8.3478 8.3478 9.3975 9.3975 9.4779 9.4779 10.5658 10.5658 11.6150 11.6150 13.9686 13.9686 14.0222 14.0222 k = 0.6896-1.1992-0.7093 ( 3202 PWs) bands (ev): -38.8665 -38.8665 -38.8330 -38.8330 -18.2124 -18.2124 -18.1550 -18.1550 -16.5743 -16.5743 -16.5263 -16.5263 -16.3295 -16.3295 -16.1935 -16.1935 -6.5979 -6.5979 -6.5335 -6.5335 3.3550 3.3550 3.4907 3.4907 4.6041 4.6041 4.8904 4.8904 5.3708 5.3708 5.5209 5.5209 8.3542 8.3542 9.3954 9.3954 9.4659 9.4659 10.5696 10.5696 11.6089 11.6089 13.9739 13.9739 14.0228 14.0228 k = 0.7167-1.1912-0.7046 ( 3205 PWs) bands (ev): -38.8665 -38.8665 -38.8330 -38.8330 -18.2124 -18.2124 -18.1549 -18.1549 -16.5743 -16.5743 -16.5262 -16.5262 -16.3295 -16.3295 -16.1935 -16.1935 -6.5989 -6.5989 -6.5327 -6.5327 3.3533 3.3533 3.4894 3.4894 4.6046 4.6046 4.8950 4.8950 5.3647 5.3647 5.5278 5.5278 8.3612 8.3612 9.3931 9.3931 9.4530 9.4530 10.5737 10.5737 11.6025 11.6025 13.9777 13.9777 14.0241 14.0241 k = 0.7438-1.1832-0.6999 ( 3199 PWs) bands (ev): -38.8665 -38.8665 -38.8330 -38.8330 -18.2124 -18.2124 -18.1548 -18.1548 -16.5743 -16.5743 -16.5261 -16.5261 -16.3295 -16.3295 -16.1935 -16.1935 -6.5998 -6.5998 -6.5319 -6.5319 3.3516 3.3516 3.4882 3.4882 4.6054 4.6054 4.8997 4.8997 5.3589 5.3589 5.5344 5.5344 8.3686 8.3686 9.3905 9.3905 9.4399 9.4399 10.5779 10.5779 11.5960 11.5960 13.9799 13.9799 14.0252 14.0252 k = 0.7709-1.1752-0.6952 ( 3195 PWs) bands (ev): -38.8665 -38.8665 -38.8329 -38.8329 -18.2124 -18.2124 -18.1548 -18.1548 -16.5743 -16.5743 -16.5261 -16.5261 -16.3295 -16.3295 -16.1935 -16.1935 -6.6008 -6.6008 -6.5311 -6.5311 3.3498 3.3498 3.4872 3.4872 4.6063 4.6063 4.9041 4.9041 5.3536 5.3536 5.5405 5.5405 8.3762 8.3762 9.3871 9.3871 9.4274 9.4274 10.5822 10.5822 11.5895 11.5895 13.9805 13.9805 14.0255 14.0255 k = 0.7980-1.1672-0.6904 ( 3195 PWs) bands (ev): -38.8665 -38.8665 -38.8329 -38.8329 -18.2124 -18.2124 -18.1547 -18.1547 -16.5744 -16.5744 -16.5260 -16.5260 -16.3295 -16.3295 -16.1935 -16.1935 -6.6016 -6.6016 -6.5305 -6.5305 3.3480 3.3480 3.4864 3.4864 4.6074 4.6074 4.9083 4.9083 5.3489 5.3489 5.5461 5.5461 8.3837 8.3837 9.3825 9.3825 9.4165 9.4165 10.5862 10.5862 11.5834 11.5834 13.9798 13.9798 14.0240 14.0240 k = 0.8251-1.1592-0.6857 ( 3197 PWs) bands (ev): -38.8665 -38.8665 -38.8329 -38.8329 -18.2124 -18.2124 -18.1546 -18.1546 -16.5744 -16.5744 -16.5259 -16.5259 -16.3295 -16.3295 -16.1934 -16.1934 -6.6024 -6.6024 -6.5299 -6.5299 3.3461 3.3461 3.4859 3.4859 4.6086 4.6086 4.9119 4.9119 5.3447 5.3447 5.5511 5.5511 8.3909 8.3909 9.3757 9.3757 9.4084 9.4084 10.5901 10.5901 11.5777 11.5777 13.9780 13.9780 14.0204 14.0204 Writing output data file ZrCl.save init_run : 3.62s CPU 13.58s WALL ( 1 calls) electrons : 801.09s CPU 807.18s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.41s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 801.03s CPU 806.94s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.89s WALL ( 1 calls) v_h : 0.01s CPU 0.05s WALL ( 1 calls) v_xc : 0.14s CPU 0.51s WALL ( 1 calls) newd : 0.46s CPU 0.60s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 337 calls) cegterg : 729.66s CPU 733.15s WALL ( 504 calls) Called by sum_band: Called by *egterg: h_psi : 580.72s CPU 587.36s WALL ( 8368 calls) s_psi : 22.25s CPU 22.59s WALL ( 8368 calls) g_psi : 0.39s CPU 0.40s WALL ( 7527 calls) cdiaghg : 126.84s CPU 125.25s WALL ( 7864 calls) cegterg:over : 32.98s CPU 30.39s WALL ( 7527 calls) cegterg:upda : 4.70s CPU 6.98s WALL ( 7527 calls) cegterg:last : 4.78s CPU 5.40s WALL ( 1659 calls) Called by h_psi: h_psi:vloc : 539.93s CPU 545.16s WALL ( 8368 calls) h_psi:vnl : 40.66s CPU 41.76s WALL ( 8368 calls) add_vuspsi : 13.78s CPU 16.76s WALL ( 8368 calls) General routines calbec : 26.85s CPU 24.92s WALL ( 8368 calls) fft : 0.33s CPU 1.16s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 503.37s CPU 504.63s WALL ( 939956 calls) interpolate : 0.06s CPU 0.07s WALL ( 4 calls) davcio : 0.02s CPU 0.98s WALL ( 674 calls) Parallel routines fft_scatter : 214.18s CPU 211.66s WALL ( 939979 calls) PWSCF : 14m 8.99s CPU 15m27.35s WALL This run was terminated on: 0:46:18 1Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=