Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:52: 3 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./RbYO2.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 58 33 10 1251 543 89 Max 59 34 11 1253 564 92 Sum 2093 1211 363 45089 19943 3257 bravais-lattice index = 14 lattice parameter (alat) = 12.7965 a.u. unit-cell volume = 457.6844 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.796470 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.867948 celldm(5)= 0.867948 celldm(6)= 0.867948 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.867948 0.496656 0.000000 ) a(3) = ( 0.867948 0.230773 0.439785 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.747585 -1.056546 ) b(2) = ( 0.000000 2.013468 -1.056546 ) b(3) = ( 0.000000 0.000000 2.273839 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Rb 9.00 85.46780 Rb( 1.00) Y 11.00 88.90590 Y( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 345 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028986 k( 2) = ( 0.0094340 -0.0164866 -0.0099674), wk = 0.0028986 k( 3) = ( 0.0188679 -0.0329733 -0.0199348), wk = 0.0028986 k( 4) = ( 0.0283019 -0.0494600 -0.0299023), wk = 0.0028986 k( 5) = ( 0.0377359 -0.0659466 -0.0398697), wk = 0.0028986 k( 6) = ( 0.0471698 -0.0824333 -0.0498371), wk = 0.0028986 k( 7) = ( 0.0566038 -0.0989199 -0.0598045), wk = 0.0028986 k( 8) = ( 0.0660377 -0.1154066 -0.0697719), wk = 0.0028986 k( 9) = ( 0.0754717 -0.1318932 -0.0797394), wk = 0.0028986 k( 10) = ( 0.0849057 -0.1483799 -0.0897068), wk = 0.0028986 k( 11) = ( 0.0943396 -0.1648665 -0.0996742), wk = 0.0028986 k( 12) = ( 0.1037736 -0.1813532 -0.1096416), wk = 0.0028986 k( 13) = ( 0.1132076 -0.1978398 -0.1196090), wk = 0.0028986 k( 14) = ( 0.1226415 -0.2143265 -0.1295764), wk = 0.0028986 k( 15) = ( 0.1320755 -0.2308131 -0.1395439), wk = 0.0028986 k( 16) = ( 0.1415094 -0.2472998 -0.1495113), wk = 0.0028986 k( 17) = ( 0.1509434 -0.2637864 -0.1594787), wk = 0.0028986 k( 18) = ( 0.1603774 -0.2802731 -0.1694461), wk = 0.0028986 k( 19) = ( 0.1698113 -0.2967597 -0.1794135), wk = 0.0028986 k( 20) = ( 0.1792453 -0.3132464 -0.1893810), wk = 0.0028986 k( 21) = ( 0.1886792 -0.3297330 -0.1993484), wk = 0.0028986 k( 22) = ( 0.1981132 -0.3462197 -0.2093158), wk = 0.0028986 k( 23) = ( 0.2075472 -0.3627063 -0.2192832), wk = 0.0028986 k( 24) = ( 0.2169811 -0.3791930 -0.2292506), wk = 0.0028986 k( 25) = ( 0.2264151 -0.3956796 -0.2392180), wk = 0.0028986 k( 26) = ( 0.2358491 -0.4121663 -0.2491855), wk = 0.0028986 k( 27) = ( 0.2452830 -0.4286529 -0.2591529), wk = 0.0028986 k( 28) = ( 0.2547170 -0.4451396 -0.2691203), wk = 0.0028986 k( 29) = ( 0.2641509 -0.4616262 -0.2790877), wk = 0.0028986 k( 30) = ( 0.2735849 -0.4781129 -0.2890551), wk = 0.0028986 k( 31) = ( 0.2830189 -0.4945996 -0.2990226), wk = 0.0028986 k( 32) = ( 0.2924528 -0.5110862 -0.3089900), wk = 0.0028986 k( 33) = ( 0.3018868 -0.5275728 -0.3189574), wk = 0.0028986 k( 34) = ( 0.3113207 -0.5440595 -0.3289248), wk = 0.0028986 k( 35) = ( 0.3207547 -0.5605462 -0.3388922), wk = 0.0028986 k( 36) = ( 0.3301887 -0.5770328 -0.3488597), wk = 0.0028986 k( 37) = ( 0.3396226 -0.5935195 -0.3588271), wk = 0.0028986 k( 38) = ( 0.3490566 -0.6100061 -0.3687945), wk = 0.0028986 k( 39) = ( 0.3584906 -0.6264928 -0.3787619), wk = 0.0028986 k( 40) = ( 0.3679245 -0.6429794 -0.3887293), wk = 0.0028986 k( 41) = ( 0.3773585 -0.6594661 -0.3986968), wk = 0.0028986 k( 42) = ( 0.3867925 -0.6759527 -0.4086642), wk = 0.0028986 k( 43) = ( 0.3962264 -0.6924394 -0.4186316), wk = 0.0028986 k( 44) = ( 0.4056604 -0.7089260 -0.4285990), wk = 0.0028986 k( 45) = ( 0.4150943 -0.7254127 -0.4385664), wk = 0.0028986 k( 46) = ( 0.4245283 -0.7418993 -0.4485338), wk = 0.0028986 k( 47) = ( 0.4339623 -0.7583860 -0.4585013), wk = 0.0028986 k( 48) = ( 0.4433962 -0.7748726 -0.4684687), wk = 0.0028986 k( 49) = ( 0.4528302 -0.7913593 -0.4784361), wk = 0.0028986 k( 50) = ( 0.4622641 -0.8078459 -0.4884035), wk = 0.0028986 k( 51) = ( 0.4716981 -0.8243326 -0.4983709), wk = 0.0028986 k( 52) = ( 0.4811321 -0.8408192 -0.5083384), wk = 0.0028986 k( 53) = ( 0.4905660 -0.8573059 -0.5183058), wk = 0.0028986 k( 54) = ( 0.5000000 -0.8737925 -0.5282732), wk = 0.0028986 k( 55) = ( 0.5000000 -0.8737925 -0.5282732), wk = 0.0028986 k( 56) = ( 0.5000000 -0.8626418 -0.5467170), wk = 0.0028986 k( 57) = ( 0.5000000 -0.8514912 -0.5651608), wk = 0.0028986 k( 58) = ( 0.5000000 -0.8403405 -0.5836047), wk = 0.0028986 k( 59) = ( 0.5000000 -0.8291898 -0.6020485), wk = 0.0028986 k( 60) = ( 0.5000000 -0.8180391 -0.6204923), wk = 0.0028986 k( 61) = ( 0.5000000 -0.8068885 -0.6389362), wk = 0.0028986 k( 62) = ( 0.5000000 -0.7957378 -0.6573800), wk = 0.0028986 k( 63) = ( 0.5000000 -0.7845871 -0.6758238), wk = 0.0028986 k( 64) = ( 0.5000000 -0.7734364 -0.6942676), wk = 0.0028986 k( 65) = ( 0.5000000 -0.7622857 -0.7127115), wk = 0.0028986 k( 66) = ( 0.5000000 -0.7511351 -0.7311553), wk = 0.0028986 k( 67) = ( 0.5000000 -0.7399844 -0.7495991), wk = 0.0028986 k( 68) = ( 0.5000000 -0.7288337 -0.7680430), wk = 0.0028986 k( 69) = ( 0.5000000 -0.7176830 -0.7864868), wk = 0.0028986 k( 70) = ( 0.5000000 -0.7065324 -0.8049306), wk = 0.0028986 k( 71) = ( 0.5000000 -0.6953817 -0.8233744), wk = 0.0028986 k( 72) = ( 0.5000000 -0.6842310 -0.8418183), wk = 0.0028986 k( 73) = ( 0.5000000 -0.6730803 -0.8602621), wk = 0.0028986 k( 74) = ( 0.5000000 -0.6619296 -0.8787059), wk = 0.0028986 k( 75) = ( 0.5000000 -0.6507790 -0.8971497), wk = 0.0028986 k( 76) = ( 0.5000000 -0.6396283 -0.9155936), wk = 0.0028986 k( 77) = ( 0.5000000 -0.6284776 -0.9340374), wk = 0.0028986 k( 78) = ( 0.5000000 -0.6173269 -0.9524812), wk = 0.0028986 k( 79) = ( 0.5000000 -0.6061763 -0.9709250), wk = 0.0028986 k( 80) = ( 0.5000000 -0.5950256 -0.9893689), wk = 0.0028986 k( 81) = ( 0.5000000 -0.5838749 -1.0078127), wk = 0.0028986 k( 82) = ( 0.5000000 -0.5727242 -1.0262565), wk = 0.0028986 k( 83) = ( 0.5000000 -0.5615735 -1.0447004), wk = 0.0028986 k( 84) = ( 0.5000000 -0.5504229 -1.0631442), wk = 0.0028986 k( 85) = ( 0.5000000 -0.5392722 -1.0815880), wk = 0.0028986 k( 86) = ( 0.5000000 -0.5281215 -1.1000319), wk = 0.0028986 k( 87) = ( 0.5000000 -0.5169708 -1.1184757), wk = 0.0028986 k( 88) = ( 0.5000000 -0.5058201 -1.1369195), wk = 0.0028986 k( 89) = ( 0.8172445 -0.4214702 -0.9761733), wk = 0.0028986 k( 90) = ( 0.8117747 -0.4119114 -0.9579570), wk = 0.0028986 k( 91) = ( 0.8063050 -0.4023526 -0.9397407), wk = 0.0028986 k( 92) = ( 0.8008353 -0.3927938 -0.9215243), wk = 0.0028986 k( 93) = ( 0.7953655 -0.3832349 -0.9033080), wk = 0.0028986 k( 94) = ( 0.7898958 -0.3736761 -0.8850917), wk = 0.0028986 k( 95) = ( 0.7844261 -0.3641173 -0.8668754), wk = 0.0028986 k( 96) = ( 0.7789564 -0.3545585 -0.8486591), wk = 0.0028986 k( 97) = ( 0.7734866 -0.3449996 -0.8304427), wk = 0.0028986 k( 98) = ( 0.7680169 -0.3354408 -0.8122264), wk = 0.0028986 k( 99) = ( 0.7625472 -0.3258820 -0.7940101), wk = 0.0028986 k( 100) = ( 0.7570774 -0.3163232 -0.7757938), wk = 0.0028986 k( 101) = ( 0.7516077 -0.3067644 -0.7575775), wk = 0.0028986 k( 102) = ( 0.7461380 -0.2972055 -0.7393612), wk = 0.0028986 k( 103) = ( 0.7406682 -0.2876467 -0.7211448), wk = 0.0028986 k( 104) = ( 0.7351985 -0.2780879 -0.7029285), wk = 0.0028986 k( 105) = ( 0.7297288 -0.2685291 -0.6847122), wk = 0.0028986 k( 106) = ( 0.7242590 -0.2589702 -0.6664959), wk = 0.0028986 k( 107) = ( 0.7187893 -0.2494114 -0.6482796), wk = 0.0028986 k( 108) = ( 0.7133196 -0.2398526 -0.6300633), wk = 0.0028986 k( 109) = ( 0.7078498 -0.2302938 -0.6118469), wk = 0.0028986 k( 110) = ( 0.7023801 -0.2207350 -0.5936306), wk = 0.0028986 k( 111) = ( 0.6969104 -0.2111761 -0.5754143), wk = 0.0028986 k( 112) = ( 0.6914406 -0.2016173 -0.5571980), wk = 0.0028986 k( 113) = ( 0.6859709 -0.1920585 -0.5389817), wk = 0.0028986 k( 114) = ( 0.6805012 -0.1824997 -0.5207653), wk = 0.0028986 k( 115) = ( 0.6750314 -0.1729408 -0.5025490), wk = 0.0028986 k( 116) = ( 0.6695617 -0.1633820 -0.4843327), wk = 0.0028986 k( 117) = ( 0.6640920 -0.1538232 -0.4661164), wk = 0.0028986 k( 118) = ( 0.6586222 -0.1442644 -0.4479001), wk = 0.0028986 k( 119) = ( 0.6531525 -0.1347056 -0.4296838), wk = 0.0028986 k( 120) = ( 0.6476828 -0.1251467 -0.4114675), wk = 0.0028986 k( 121) = ( 0.6422130 -0.1155879 -0.3932511), wk = 0.0028986 k( 122) = ( 0.6367433 -0.1060291 -0.3750348), wk = 0.0028986 k( 123) = ( 0.6312736 -0.0964703 -0.3568185), wk = 0.0028986 k( 124) = ( 0.6258039 -0.0869114 -0.3386022), wk = 0.0028986 k( 125) = ( 0.6203341 -0.0773526 -0.3203859), wk = 0.0028986 k( 126) = ( 0.6148644 -0.0677938 -0.3021695), wk = 0.0028986 k( 127) = ( 0.6093947 -0.0582350 -0.2839532), wk = 0.0028986 k( 128) = ( 0.6039249 -0.0486761 -0.2657369), wk = 0.0028986 k( 129) = ( 0.5984552 -0.0391173 -0.2475206), wk = 0.0028986 k( 130) = ( 0.5929855 -0.0295585 -0.2293043), wk = 0.0028986 k( 131) = ( 0.5875157 -0.0199997 -0.2110880), wk = 0.0028986 k( 132) = ( 0.5820460 -0.0104409 -0.1928717), wk = 0.0028986 k( 133) = ( 0.5765763 -0.0008820 -0.1746553), wk = 0.0028986 k( 134) = ( 0.5711065 0.0086768 -0.1564390), wk = 0.0028986 k( 135) = ( 0.5656368 0.0182356 -0.1382227), wk = 0.0028986 k( 136) = ( 0.5601671 0.0277944 -0.1200064), wk = 0.0028986 k( 137) = ( 0.5546973 0.0373533 -0.1017900), wk = 0.0028986 k( 138) = ( 0.5492276 0.0469121 -0.0835737), wk = 0.0028986 k( 139) = ( 0.5437579 0.0564709 -0.0653574), wk = 0.0028986 k( 140) = ( 0.5382881 0.0660297 -0.0471411), wk = 0.0028986 k( 141) = ( 0.5328184 0.0755886 -0.0289248), wk = 0.0028986 k( 142) = ( 0.5273487 0.0851474 -0.0107085), wk = 0.0028986 k( 143) = ( 0.5218789 0.0947062 0.0075078), wk = 0.0028986 k( 144) = ( 0.5164092 0.1042650 0.0257242), wk = 0.0028986 k( 145) = ( 0.5109395 0.1138239 0.0439405), wk = 0.0028986 k( 146) = ( 0.5054697 0.1233827 0.0621568), wk = 0.0028986 k( 147) = ( 0.5000000 0.1329415 0.0803731), wk = 0.0028986 k( 148) = ( 0.5000000 0.1329415 0.0803731), wk = 0.0028986 k( 149) = ( 0.4800000 0.1276238 0.0771582), wk = 0.0028986 k( 150) = ( 0.4600000 0.1223062 0.0739433), wk = 0.0028986 k( 151) = ( 0.4400000 0.1169885 0.0707283), wk = 0.0028986 k( 152) = ( 0.4200000 0.1116709 0.0675134), wk = 0.0028986 k( 153) = ( 0.4000000 0.1063532 0.0642985), wk = 0.0028986 k( 154) = ( 0.3800000 0.1010355 0.0610836), wk = 0.0028986 k( 155) = ( 0.3600000 0.0957179 0.0578686), wk = 0.0028986 k( 156) = ( 0.3400000 0.0904002 0.0546537), wk = 0.0028986 k( 157) = ( 0.3200000 0.0850826 0.0514388), wk = 0.0028986 k( 158) = ( 0.3000000 0.0797649 0.0482239), wk = 0.0028986 k( 159) = ( 0.2800000 0.0744472 0.0450089), wk = 0.0028986 k( 160) = ( 0.2600000 0.0691296 0.0417940), wk = 0.0028986 k( 161) = ( 0.2400000 0.0638119 0.0385791), wk = 0.0028986 k( 162) = ( 0.2200000 0.0584943 0.0353642), wk = 0.0028986 k( 163) = ( 0.2000000 0.0531766 0.0321492), wk = 0.0028986 k( 164) = ( 0.1800000 0.0478589 0.0289343), wk = 0.0028986 k( 165) = ( 0.1600000 0.0425413 0.0257194), wk = 0.0028986 k( 166) = ( 0.1400000 0.0372236 0.0225045), wk = 0.0028986 k( 167) = ( 0.1200000 0.0319060 0.0192895), wk = 0.0028986 k( 168) = ( 0.1000000 0.0265883 0.0160746), wk = 0.0028986 k( 169) = ( 0.0800000 0.0212706 0.0128597), wk = 0.0028986 k( 170) = ( 0.0600000 0.0159530 0.0096448), wk = 0.0028986 k( 171) = ( 0.0400000 0.0106353 0.0064298), wk = 0.0028986 k( 172) = ( 0.0200000 0.0053177 0.0032149), wk = 0.0028986 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028986 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028986 k( 175) = ( 0.0055061 -0.0096224 -0.0183374), wk = 0.0028986 k( 176) = ( 0.0110122 -0.0192447 -0.0366748), wk = 0.0028986 k( 177) = ( 0.0165183 -0.0288671 -0.0550122), wk = 0.0028986 k( 178) = ( 0.0220244 -0.0384895 -0.0733496), wk = 0.0028986 k( 179) = ( 0.0275305 -0.0481118 -0.0916870), wk = 0.0028986 k( 180) = ( 0.0330366 -0.0577342 -0.1100245), wk = 0.0028986 k( 181) = ( 0.0385426 -0.0673566 -0.1283619), wk = 0.0028986 k( 182) = ( 0.0440487 -0.0769789 -0.1466993), wk = 0.0028986 k( 183) = ( 0.0495548 -0.0866013 -0.1650367), wk = 0.0028986 k( 184) = ( 0.0550609 -0.0962237 -0.1833741), wk = 0.0028986 k( 185) = ( 0.0605670 -0.1058460 -0.2017115), wk = 0.0028986 k( 186) = ( 0.0660731 -0.1154684 -0.2200489), wk = 0.0028986 k( 187) = ( 0.0715792 -0.1250908 -0.2383864), wk = 0.0028986 k( 188) = ( 0.0770853 -0.1347131 -0.2567238), wk = 0.0028986 k( 189) = ( 0.0825914 -0.1443355 -0.2750612), wk = 0.0028986 k( 190) = ( 0.0880975 -0.1539579 -0.2933986), wk = 0.0028986 k( 191) = ( 0.0936036 -0.1635802 -0.3117360), wk = 0.0028986 k( 192) = ( 0.0991097 -0.1732026 -0.3300734), wk = 0.0028986 k( 193) = ( 0.1046158 -0.1828249 -0.3484108), wk = 0.0028986 k( 194) = ( 0.1101219 -0.1924473 -0.3667482), wk = 0.0028986 k( 195) = ( 0.1156279 -0.2020697 -0.3850856), wk = 0.0028986 k( 196) = ( 0.1211340 -0.2116920 -0.4034230), wk = 0.0028986 k( 197) = ( 0.1266401 -0.2213144 -0.4217605), wk = 0.0028986 k( 198) = ( 0.1321462 -0.2309368 -0.4400979), wk = 0.0028986 k( 199) = ( 0.1376523 -0.2405591 -0.4584353), wk = 0.0028986 k( 200) = ( 0.1431584 -0.2501815 -0.4767727), wk = 0.0028986 k( 201) = ( 0.1486645 -0.2598039 -0.4951101), wk = 0.0028986 k( 202) = ( 0.1541706 -0.2694262 -0.5134475), wk = 0.0028986 k( 203) = ( 0.1596767 -0.2790486 -0.5317849), wk = 0.0028986 k( 204) = ( 0.1651828 -0.2886710 -0.5501224), wk = 0.0028986 k( 205) = ( 0.1706889 -0.2982933 -0.5684598), wk = 0.0028986 k( 206) = ( 0.1761950 -0.3079157 -0.5867972), wk = 0.0028986 k( 207) = ( 0.1817011 -0.3175381 -0.6051346), wk = 0.0028986 k( 208) = ( 0.1872072 -0.3271604 -0.6234720), wk = 0.0028986 k( 209) = ( 0.1927133 -0.3367828 -0.6418094), wk = 0.0028986 k( 210) = ( 0.1982193 -0.3464052 -0.6601468), wk = 0.0028986 k( 211) = ( 0.2037254 -0.3560275 -0.6784842), wk = 0.0028986 k( 212) = ( 0.2092315 -0.3656499 -0.6968216), wk = 0.0028986 k( 213) = ( 0.2147376 -0.3752723 -0.7151590), wk = 0.0028986 k( 214) = ( 0.2202437 -0.3848946 -0.7334965), wk = 0.0028986 k( 215) = ( 0.2257498 -0.3945170 -0.7518339), wk = 0.0028986 k( 216) = ( 0.2312559 -0.4041394 -0.7701713), wk = 0.0028986 k( 217) = ( 0.2367620 -0.4137617 -0.7885087), wk = 0.0028986 k( 218) = ( 0.2422681 -0.4233841 -0.8068461), wk = 0.0028986 k( 219) = ( 0.2477742 -0.4330065 -0.8251835), wk = 0.0028986 k( 220) = ( 0.2532803 -0.4426288 -0.8435209), wk = 0.0028986 k( 221) = ( 0.2587864 -0.4522512 -0.8618583), wk = 0.0028986 k( 222) = ( 0.2642925 -0.4618736 -0.8801958), wk = 0.0028986 k( 223) = ( 0.2697986 -0.4714959 -0.8985332), wk = 0.0028986 k( 224) = ( 0.2753046 -0.4811183 -0.9168706), wk = 0.0028986 k( 225) = ( 0.2808107 -0.4907407 -0.9352080), wk = 0.0028986 k( 226) = ( 0.2863168 -0.5003630 -0.9535454), wk = 0.0028986 k( 227) = ( 0.2918229 -0.5099854 -0.9718828), wk = 0.0028986 k( 228) = ( 0.2973290 -0.5196078 -0.9902202), wk = 0.0028986 k( 229) = ( 0.3028351 -0.5292301 -1.0085576), wk = 0.0028986 k( 230) = ( 0.3083412 -0.5388525 -1.0268950), wk = 0.0028986 k( 231) = ( 0.3138473 -0.5484748 -1.0452324), wk = 0.0028986 k( 232) = ( 0.3193534 -0.5580972 -1.0635699), wk = 0.0028986 k( 233) = ( 0.3248595 -0.5677196 -1.0819073), wk = 0.0028986 k( 234) = ( 0.3303656 -0.5773419 -1.1002447), wk = 0.0028986 k( 235) = ( 0.3358717 -0.5869643 -1.1185821), wk = 0.0028986 k( 236) = ( 0.3413778 -0.5965867 -1.1369195), wk = 0.0028986 k( 237) = ( 0.6586222 -0.4636452 -1.0565464), wk = 0.0028986 k( 238) = ( 0.6531525 -0.4430732 -1.0565464), wk = 0.0028986 k( 239) = ( 0.6476828 -0.4225013 -1.0565464), wk = 0.0028986 k( 240) = ( 0.6422130 -0.4019293 -1.0565464), wk = 0.0028986 k( 241) = ( 0.6367433 -0.3813574 -1.0565464), wk = 0.0028986 k( 242) = ( 0.6312736 -0.3607854 -1.0565464), wk = 0.0028986 k( 243) = ( 0.6258039 -0.3402135 -1.0565464), wk = 0.0028986 k( 244) = ( 0.6203341 -0.3196415 -1.0565464), wk = 0.0028986 k( 245) = ( 0.6148644 -0.2990695 -1.0565464), wk = 0.0028986 k( 246) = ( 0.6093947 -0.2784976 -1.0565464), wk = 0.0028986 k( 247) = ( 0.6039249 -0.2579257 -1.0565464), wk = 0.0028986 k( 248) = ( 0.5984552 -0.2373537 -1.0565464), wk = 0.0028986 k( 249) = ( 0.5929855 -0.2167817 -1.0565464), wk = 0.0028986 k( 250) = ( 0.5875157 -0.1962098 -1.0565464), wk = 0.0028986 k( 251) = ( 0.5820460 -0.1756378 -1.0565464), wk = 0.0028986 k( 252) = ( 0.5765763 -0.1550659 -1.0565464), wk = 0.0028986 k( 253) = ( 0.5711065 -0.1344939 -1.0565464), wk = 0.0028986 k( 254) = ( 0.5656368 -0.1139220 -1.0565464), wk = 0.0028986 k( 255) = ( 0.5601671 -0.0933500 -1.0565464), wk = 0.0028986 k( 256) = ( 0.5546973 -0.0727780 -1.0565464), wk = 0.0028986 k( 257) = ( 0.5492276 -0.0522061 -1.0565464), wk = 0.0028986 k( 258) = ( 0.5437579 -0.0316341 -1.0565464), wk = 0.0028986 k( 259) = ( 0.5382881 -0.0110622 -1.0565464), wk = 0.0028986 k( 260) = ( 0.5328184 0.0095098 -1.0565464), wk = 0.0028986 k( 261) = ( 0.5273487 0.0300817 -1.0565464), wk = 0.0028986 k( 262) = ( 0.5218789 0.0506537 -1.0565464), wk = 0.0028986 k( 263) = ( 0.5164092 0.0712256 -1.0565464), wk = 0.0028986 k( 264) = ( 0.5109395 0.0917976 -1.0565464), wk = 0.0028986 k( 265) = ( 0.5054697 0.1123695 -1.0565464), wk = 0.0028986 k( 266) = ( 0.5000000 0.1329415 -1.0565464), wk = 0.0028986 k( 267) = ( 0.5000000 0.1329415 -1.0565464), wk = 0.0028986 k( 268) = ( 0.5176247 0.1376276 -1.0476160), wk = 0.0028986 k( 269) = ( 0.5352494 0.1423137 -1.0386857), wk = 0.0028986 k( 270) = ( 0.5528741 0.1469998 -1.0297553), wk = 0.0028986 k( 271) = ( 0.5704988 0.1516859 -1.0208250), wk = 0.0028986 k( 272) = ( 0.5881235 0.1563720 -1.0118947), wk = 0.0028986 k( 273) = ( 0.6057482 0.1610581 -1.0029643), wk = 0.0028986 k( 274) = ( 0.6233728 0.1657442 -0.9940340), wk = 0.0028986 k( 275) = ( 0.6409976 0.1704303 -0.9851036), wk = 0.0028986 k( 276) = ( 0.6586222 0.1751164 -0.9761733), wk = 0.0028986 k( 277) = ( 0.6586222 0.1751164 -0.9761733), wk = 0.0028986 k( 278) = ( 0.6554498 0.1742729 -0.9550424), wk = 0.0028986 k( 279) = ( 0.6522773 0.1734294 -0.9339114), wk = 0.0028986 k( 280) = ( 0.6491049 0.1725859 -0.9127805), wk = 0.0028986 k( 281) = ( 0.6459325 0.1717424 -0.8916496), wk = 0.0028986 k( 282) = ( 0.6427600 0.1708989 -0.8705186), wk = 0.0028986 k( 283) = ( 0.6395876 0.1700554 -0.8493877), wk = 0.0028986 k( 284) = ( 0.6364151 0.1692119 -0.8282568), wk = 0.0028986 k( 285) = ( 0.6332427 0.1683684 -0.8071259), wk = 0.0028986 k( 286) = ( 0.6300702 0.1675250 -0.7859949), wk = 0.0028986 k( 287) = ( 0.6268978 0.1666815 -0.7648640), wk = 0.0028986 k( 288) = ( 0.6237253 0.1658380 -0.7437331), wk = 0.0028986 k( 289) = ( 0.6205529 0.1649945 -0.7226021), wk = 0.0028986 k( 290) = ( 0.6173805 0.1641510 -0.7014712), wk = 0.0028986 k( 291) = ( 0.6142080 0.1633075 -0.6803403), wk = 0.0028986 k( 292) = ( 0.6110356 0.1624640 -0.6592094), wk = 0.0028986 k( 293) = ( 0.6078631 0.1616205 -0.6380784), wk = 0.0028986 k( 294) = ( 0.6046907 0.1607770 -0.6169475), wk = 0.0028986 k( 295) = ( 0.6015182 0.1599335 -0.5958166), wk = 0.0028986 k( 296) = ( 0.5983458 0.1590900 -0.5746857), wk = 0.0028986 k( 297) = ( 0.5951733 0.1582465 -0.5535547), wk = 0.0028986 k( 298) = ( 0.5920009 0.1574030 -0.5324238), wk = 0.0028986 k( 299) = ( 0.5888285 0.1565595 -0.5112929), wk = 0.0028986 k( 300) = ( 0.5856560 0.1557160 -0.4901619), wk = 0.0028986 k( 301) = ( 0.5824836 0.1548725 -0.4690310), wk = 0.0028986 k( 302) = ( 0.5793111 0.1540290 -0.4479001), wk = 0.0028986 k( 303) = ( 0.5761387 0.1531855 -0.4267692), wk = 0.0028986 k( 304) = ( 0.5729662 0.1523420 -0.4056382), wk = 0.0028986 k( 305) = ( 0.5697938 0.1514985 -0.3845073), wk = 0.0028986 k( 306) = ( 0.5666213 0.1506550 -0.3633764), wk = 0.0028986 k( 307) = ( 0.5634489 0.1498115 -0.3422454), wk = 0.0028986 k( 308) = ( 0.5602765 0.1489680 -0.3211145), wk = 0.0028986 k( 309) = ( 0.5571040 0.1481245 -0.2999836), wk = 0.0028986 k( 310) = ( 0.5539316 0.1472810 -0.2788526), wk = 0.0028986 k( 311) = ( 0.5507591 0.1464375 -0.2577217), wk = 0.0028986 k( 312) = ( 0.5475867 0.1455940 -0.2365908), wk = 0.0028986 k( 313) = ( 0.5444142 0.1447505 -0.2154599), wk = 0.0028986 k( 314) = ( 0.5412418 0.1439070 -0.1943290), wk = 0.0028986 k( 315) = ( 0.5380693 0.1430635 -0.1731980), wk = 0.0028986 k( 316) = ( 0.5348969 0.1422200 -0.1520671), wk = 0.0028986 k( 317) = ( 0.5317245 0.1413765 -0.1309362), wk = 0.0028986 k( 318) = ( 0.5285520 0.1405330 -0.1098052), wk = 0.0028986 k( 319) = ( 0.5253796 0.1396895 -0.0886743), wk = 0.0028986 k( 320) = ( 0.5222071 0.1388460 -0.0675434), wk = 0.0028986 k( 321) = ( 0.5190347 0.1380025 -0.0464125), wk = 0.0028986 k( 322) = ( 0.5158622 0.1371590 -0.0252815), wk = 0.0028986 k( 323) = ( 0.5126898 0.1363155 -0.0041506), wk = 0.0028986 k( 324) = ( 0.5095173 0.1354720 0.0169803), wk = 0.0028986 k( 325) = ( 0.5063449 0.1346285 0.0381113), wk = 0.0028986 k( 326) = ( 0.5031724 0.1337850 0.0592422), wk = 0.0028986 k( 327) = ( 0.5000000 0.1329415 0.0803731), wk = 0.0028986 k( 328) = ( 0.5000000 -0.8737925 -0.5282732), wk = 0.0028986 k( 329) = ( 0.5186614 -0.8659725 -0.5235454), wk = 0.0028986 k( 330) = ( 0.5373229 -0.8581524 -0.5188175), wk = 0.0028986 k( 331) = ( 0.5559843 -0.8503323 -0.5140897), wk = 0.0028986 k( 332) = ( 0.5746458 -0.8425122 -0.5093619), wk = 0.0028986 k( 333) = ( 0.5933072 -0.8346921 -0.5046340), wk = 0.0028986 k( 334) = ( 0.6119686 -0.8268720 -0.4999062), wk = 0.0028986 k( 335) = ( 0.6306301 -0.8190519 -0.4951784), wk = 0.0028986 k( 336) = ( 0.6492915 -0.8112318 -0.4904506), wk = 0.0028986 k( 337) = ( 0.6679530 -0.8034117 -0.4857227), wk = 0.0028986 k( 338) = ( 0.6866144 -0.7955916 -0.4809949), wk = 0.0028986 k( 339) = ( 0.7052758 -0.7877716 -0.4762671), wk = 0.0028986 k( 340) = ( 0.7239373 -0.7799515 -0.4715392), wk = 0.0028986 k( 341) = ( 0.7425987 -0.7721314 -0.4668114), wk = 0.0028986 k( 342) = ( 0.7612602 -0.7643113 -0.4620836), wk = 0.0028986 k( 343) = ( 0.7799216 -0.7564912 -0.4573557), wk = 0.0028986 k( 344) = ( 0.7985830 -0.7486711 -0.4526279), wk = 0.0028986 k( 345) = ( 0.8172445 -0.7408510 -0.4479001), wk = 0.0028986 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028986 k( 2) = ( 0.0094340 0.0000000 -0.0000000), wk = 0.0028986 k( 3) = ( 0.0188679 0.0000000 -0.0000000), wk = 0.0028986 k( 4) = ( 0.0283019 0.0000000 0.0000000), wk = 0.0028986 k( 5) = ( 0.0377359 -0.0000000 -0.0000000), wk = 0.0028986 k( 6) = ( 0.0471698 0.0000000 -0.0000000), wk = 0.0028986 k( 7) = ( 0.0566038 0.0000000 -0.0000000), wk = 0.0028986 k( 8) = ( 0.0660377 0.0000000 -0.0000000), wk = 0.0028986 k( 9) = ( 0.0754717 -0.0000000 -0.0000000), wk = 0.0028986 k( 10) = ( 0.0849057 0.0000000 -0.0000000), wk = 0.0028986 k( 11) = ( 0.0943396 0.0000000 -0.0000000), wk = 0.0028986 k( 12) = ( 0.1037736 0.0000000 -0.0000000), wk = 0.0028986 k( 13) = ( 0.1132076 0.0000000 -0.0000000), wk = 0.0028986 k( 14) = ( 0.1226415 0.0000000 -0.0000000), wk = 0.0028986 k( 15) = ( 0.1320755 0.0000000 -0.0000000), wk = 0.0028986 k( 16) = ( 0.1415094 0.0000000 -0.0000000), wk = 0.0028986 k( 17) = ( 0.1509434 -0.0000000 -0.0000000), wk = 0.0028986 k( 18) = ( 0.1603774 0.0000000 0.0000000), wk = 0.0028986 k( 19) = ( 0.1698113 0.0000000 -0.0000000), wk = 0.0028986 k( 20) = ( 0.1792453 0.0000000 0.0000000), wk = 0.0028986 k( 21) = ( 0.1886792 -0.0000000 -0.0000000), wk = 0.0028986 k( 22) = ( 0.1981132 0.0000000 -0.0000000), wk = 0.0028986 k( 23) = ( 0.2075472 -0.0000000 -0.0000000), wk = 0.0028986 k( 24) = ( 0.2169811 0.0000000 -0.0000000), wk = 0.0028986 k( 25) = ( 0.2264151 -0.0000000 -0.0000000), wk = 0.0028986 k( 26) = ( 0.2358491 0.0000000 -0.0000000), wk = 0.0028986 k( 27) = ( 0.2452830 0.0000000 -0.0000000), wk = 0.0028986 k( 28) = ( 0.2547170 0.0000000 -0.0000000), wk = 0.0028986 k( 29) = ( 0.2641509 0.0000000 -0.0000000), wk = 0.0028986 k( 30) = ( 0.2735849 0.0000000 -0.0000000), wk = 0.0028986 k( 31) = ( 0.2830189 0.0000000 -0.0000000), wk = 0.0028986 k( 32) = ( 0.2924528 0.0000000 -0.0000000), wk = 0.0028986 k( 33) = ( 0.3018868 0.0000000 0.0000000), wk = 0.0028986 k( 34) = ( 0.3113207 0.0000000 -0.0000000), wk = 0.0028986 k( 35) = ( 0.3207547 0.0000000 0.0000000), wk = 0.0028986 k( 36) = ( 0.3301887 0.0000000 -0.0000000), wk = 0.0028986 k( 37) = ( 0.3396226 0.0000000 -0.0000000), wk = 0.0028986 k( 38) = ( 0.3490566 -0.0000000 -0.0000000), wk = 0.0028986 k( 39) = ( 0.3584906 0.0000000 -0.0000000), wk = 0.0028986 k( 40) = ( 0.3679245 0.0000000 -0.0000000), wk = 0.0028986 k( 41) = ( 0.3773585 -0.0000000 -0.0000000), wk = 0.0028986 k( 42) = ( 0.3867925 0.0000000 -0.0000000), wk = 0.0028986 k( 43) = ( 0.3962264 0.0000000 -0.0000000), wk = 0.0028986 k( 44) = ( 0.4056604 -0.0000000 -0.0000000), wk = 0.0028986 k( 45) = ( 0.4150943 -0.0000000 -0.0000000), wk = 0.0028986 k( 46) = ( 0.4245283 0.0000000 0.0000000), wk = 0.0028986 k( 47) = ( 0.4339623 0.0000000 -0.0000000), wk = 0.0028986 k( 48) = ( 0.4433962 -0.0000000 -0.0000000), wk = 0.0028986 k( 49) = ( 0.4528302 0.0000000 0.0000000), wk = 0.0028986 k( 50) = ( 0.4622641 0.0000000 -0.0000000), wk = 0.0028986 k( 51) = ( 0.4716981 0.0000000 -0.0000000), wk = 0.0028986 k( 52) = ( 0.4811321 0.0000000 -0.0000000), wk = 0.0028986 k( 53) = ( 0.4905660 0.0000000 -0.0000000), wk = 0.0028986 k( 54) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028986 k( 55) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028986 k( 56) = ( 0.5000000 0.0055381 -0.0055381), wk = 0.0028986 k( 57) = ( 0.5000000 0.0110761 -0.0110761), wk = 0.0028986 k( 58) = ( 0.5000000 0.0166141 -0.0166141), wk = 0.0028986 k( 59) = ( 0.5000000 0.0221522 -0.0221522), wk = 0.0028986 k( 60) = ( 0.5000000 0.0276902 -0.0276902), wk = 0.0028986 k( 61) = ( 0.5000000 0.0332283 -0.0332283), wk = 0.0028986 k( 62) = ( 0.5000000 0.0387663 -0.0387663), wk = 0.0028986 k( 63) = ( 0.5000000 0.0443044 -0.0443044), wk = 0.0028986 k( 64) = ( 0.5000000 0.0498424 -0.0498424), wk = 0.0028986 k( 65) = ( 0.5000000 0.0553805 -0.0553805), wk = 0.0028986 k( 66) = ( 0.5000000 0.0609185 -0.0609185), wk = 0.0028986 k( 67) = ( 0.5000000 0.0664566 -0.0664566), wk = 0.0028986 k( 68) = ( 0.5000000 0.0719946 -0.0719946), wk = 0.0028986 k( 69) = ( 0.5000000 0.0775326 -0.0775326), wk = 0.0028986 k( 70) = ( 0.5000000 0.0830707 -0.0830707), wk = 0.0028986 k( 71) = ( 0.5000000 0.0886087 -0.0886087), wk = 0.0028986 k( 72) = ( 0.5000000 0.0941468 -0.0941468), wk = 0.0028986 k( 73) = ( 0.5000000 0.0996848 -0.0996848), wk = 0.0028986 k( 74) = ( 0.5000000 0.1052229 -0.1052229), wk = 0.0028986 k( 75) = ( 0.5000000 0.1107609 -0.1107609), wk = 0.0028986 k( 76) = ( 0.5000000 0.1162990 -0.1162990), wk = 0.0028986 k( 77) = ( 0.5000000 0.1218370 -0.1218370), wk = 0.0028986 k( 78) = ( 0.5000000 0.1273751 -0.1273751), wk = 0.0028986 k( 79) = ( 0.5000000 0.1329131 -0.1329131), wk = 0.0028986 k( 80) = ( 0.5000000 0.1384512 -0.1384511), wk = 0.0028986 k( 81) = ( 0.5000000 0.1439892 -0.1439892), wk = 0.0028986 k( 82) = ( 0.5000000 0.1495272 -0.1495272), wk = 0.0028986 k( 83) = ( 0.5000000 0.1550653 -0.1550653), wk = 0.0028986 k( 84) = ( 0.5000000 0.1606033 -0.1606033), wk = 0.0028986 k( 85) = ( 0.5000000 0.1661414 -0.1661414), wk = 0.0028986 k( 86) = ( 0.5000000 0.1716794 -0.1716794), wk = 0.0028986 k( 87) = ( 0.5000000 0.1772175 -0.1772175), wk = 0.0028986 k( 88) = ( 0.5000000 0.1827555 -0.1827555), wk = 0.0028986 k( 89) = ( 0.8172445 0.5000000 0.1827555), wk = 0.0028986 k( 90) = ( 0.8117747 0.5000000 0.1882253), wk = 0.0028986 k( 91) = ( 0.8063050 0.5000000 0.1936950), wk = 0.0028986 k( 92) = ( 0.8008353 0.5000000 0.1991647), wk = 0.0028986 k( 93) = ( 0.7953655 0.5000000 0.2046345), wk = 0.0028986 k( 94) = ( 0.7898958 0.5000000 0.2101042), wk = 0.0028986 k( 95) = ( 0.7844261 0.5000000 0.2155739), wk = 0.0028986 k( 96) = ( 0.7789564 0.5000000 0.2210436), wk = 0.0028986 k( 97) = ( 0.7734866 0.5000000 0.2265134), wk = 0.0028986 k( 98) = ( 0.7680169 0.5000000 0.2319831), wk = 0.0028986 k( 99) = ( 0.7625472 0.5000000 0.2374528), wk = 0.0028986 k( 100) = ( 0.7570774 0.5000000 0.2429226), wk = 0.0028986 k( 101) = ( 0.7516077 0.5000000 0.2483923), wk = 0.0028986 k( 102) = ( 0.7461380 0.5000000 0.2538620), wk = 0.0028986 k( 103) = ( 0.7406682 0.5000000 0.2593318), wk = 0.0028986 k( 104) = ( 0.7351985 0.5000000 0.2648015), wk = 0.0028986 k( 105) = ( 0.7297288 0.5000000 0.2702712), wk = 0.0028986 k( 106) = ( 0.7242590 0.5000000 0.2757410), wk = 0.0028986 k( 107) = ( 0.7187893 0.5000000 0.2812107), wk = 0.0028986 k( 108) = ( 0.7133196 0.5000000 0.2866804), wk = 0.0028986 k( 109) = ( 0.7078498 0.5000000 0.2921502), wk = 0.0028986 k( 110) = ( 0.7023801 0.5000000 0.2976199), wk = 0.0028986 k( 111) = ( 0.6969104 0.5000000 0.3030896), wk = 0.0028986 k( 112) = ( 0.6914406 0.5000000 0.3085594), wk = 0.0028986 k( 113) = ( 0.6859709 0.5000000 0.3140291), wk = 0.0028986 k( 114) = ( 0.6805012 0.5000000 0.3194988), wk = 0.0028986 k( 115) = ( 0.6750314 0.5000000 0.3249686), wk = 0.0028986 k( 116) = ( 0.6695617 0.5000000 0.3304383), wk = 0.0028986 k( 117) = ( 0.6640920 0.5000000 0.3359080), wk = 0.0028986 k( 118) = ( 0.6586222 0.5000000 0.3413778), wk = 0.0028986 k( 119) = ( 0.6531525 0.5000000 0.3468475), wk = 0.0028986 k( 120) = ( 0.6476828 0.5000000 0.3523172), wk = 0.0028986 k( 121) = ( 0.6422130 0.5000000 0.3577870), wk = 0.0028986 k( 122) = ( 0.6367433 0.5000000 0.3632567), wk = 0.0028986 k( 123) = ( 0.6312736 0.5000000 0.3687264), wk = 0.0028986 k( 124) = ( 0.6258039 0.5000000 0.3741962), wk = 0.0028986 k( 125) = ( 0.6203341 0.5000000 0.3796659), wk = 0.0028986 k( 126) = ( 0.6148644 0.5000000 0.3851356), wk = 0.0028986 k( 127) = ( 0.6093947 0.5000000 0.3906054), wk = 0.0028986 k( 128) = ( 0.6039249 0.5000000 0.3960751), wk = 0.0028986 k( 129) = ( 0.5984552 0.5000000 0.4015448), wk = 0.0028986 k( 130) = ( 0.5929855 0.5000000 0.4070145), wk = 0.0028986 k( 131) = ( 0.5875157 0.5000000 0.4124843), wk = 0.0028986 k( 132) = ( 0.5820460 0.5000000 0.4179540), wk = 0.0028986 k( 133) = ( 0.5765763 0.5000000 0.4234237), wk = 0.0028986 k( 134) = ( 0.5711065 0.5000000 0.4288935), wk = 0.0028986 k( 135) = ( 0.5656368 0.5000000 0.4343632), wk = 0.0028986 k( 136) = ( 0.5601671 0.5000000 0.4398329), wk = 0.0028986 k( 137) = ( 0.5546973 0.5000000 0.4453027), wk = 0.0028986 k( 138) = ( 0.5492276 0.5000000 0.4507724), wk = 0.0028986 k( 139) = ( 0.5437579 0.5000000 0.4562421), wk = 0.0028986 k( 140) = ( 0.5382881 0.5000000 0.4617119), wk = 0.0028986 k( 141) = ( 0.5328184 0.5000000 0.4671816), wk = 0.0028986 k( 142) = ( 0.5273487 0.5000000 0.4726513), wk = 0.0028986 k( 143) = ( 0.5218789 0.5000000 0.4781211), wk = 0.0028986 k( 144) = ( 0.5164092 0.5000000 0.4835908), wk = 0.0028986 k( 145) = ( 0.5109395 0.5000000 0.4890605), wk = 0.0028986 k( 146) = ( 0.5054697 0.5000000 0.4945303), wk = 0.0028986 k( 147) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028986 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028986 k( 149) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0028986 k( 150) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0028986 k( 151) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0028986 k( 152) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0028986 k( 153) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0028986 k( 154) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0028986 k( 155) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0028986 k( 156) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0028986 k( 157) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0028986 k( 158) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0028986 k( 159) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0028986 k( 160) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0028986 k( 161) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0028986 k( 162) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0028986 k( 163) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0028986 k( 164) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0028986 k( 165) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0028986 k( 166) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0028986 k( 167) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0028986 k( 168) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0028986 k( 169) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0028986 k( 170) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0028986 k( 171) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0028986 k( 172) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0028986 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028986 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028986 k( 175) = ( 0.0055061 0.0000000 -0.0055061), wk = 0.0028986 k( 176) = ( 0.0110122 0.0000000 -0.0110122), wk = 0.0028986 k( 177) = ( 0.0165183 0.0000000 -0.0165183), wk = 0.0028986 k( 178) = ( 0.0220244 0.0000000 -0.0220244), wk = 0.0028986 k( 179) = ( 0.0275305 0.0000000 -0.0275305), wk = 0.0028986 k( 180) = ( 0.0330366 0.0000000 -0.0330366), wk = 0.0028986 k( 181) = ( 0.0385426 0.0000000 -0.0385426), wk = 0.0028986 k( 182) = ( 0.0440487 0.0000000 -0.0440487), wk = 0.0028986 k( 183) = ( 0.0495548 0.0000000 -0.0495548), wk = 0.0028986 k( 184) = ( 0.0550609 -0.0000000 -0.0550609), wk = 0.0028986 k( 185) = ( 0.0605670 0.0000000 -0.0605670), wk = 0.0028986 k( 186) = ( 0.0660731 0.0000000 -0.0660731), wk = 0.0028986 k( 187) = ( 0.0715792 0.0000000 -0.0715792), wk = 0.0028986 k( 188) = ( 0.0770853 0.0000000 -0.0770853), wk = 0.0028986 k( 189) = ( 0.0825914 0.0000000 -0.0825914), wk = 0.0028986 k( 190) = ( 0.0880975 0.0000000 -0.0880975), wk = 0.0028986 k( 191) = ( 0.0936036 0.0000000 -0.0936036), wk = 0.0028986 k( 192) = ( 0.0991097 0.0000000 -0.0991097), wk = 0.0028986 k( 193) = ( 0.1046158 0.0000000 -0.1046158), wk = 0.0028986 k( 194) = ( 0.1101219 -0.0000000 -0.1101219), wk = 0.0028986 k( 195) = ( 0.1156279 0.0000000 -0.1156280), wk = 0.0028986 k( 196) = ( 0.1211340 0.0000000 -0.1211340), wk = 0.0028986 k( 197) = ( 0.1266401 0.0000000 -0.1266401), wk = 0.0028986 k( 198) = ( 0.1321462 0.0000000 -0.1321462), wk = 0.0028986 k( 199) = ( 0.1376523 0.0000000 -0.1376523), wk = 0.0028986 k( 200) = ( 0.1431584 0.0000000 -0.1431584), wk = 0.0028986 k( 201) = ( 0.1486645 0.0000000 -0.1486645), wk = 0.0028986 k( 202) = ( 0.1541706 0.0000000 -0.1541706), wk = 0.0028986 k( 203) = ( 0.1596767 -0.0000000 -0.1596767), wk = 0.0028986 k( 204) = ( 0.1651828 0.0000000 -0.1651828), wk = 0.0028986 k( 205) = ( 0.1706889 -0.0000000 -0.1706889), wk = 0.0028986 k( 206) = ( 0.1761950 0.0000000 -0.1761950), wk = 0.0028986 k( 207) = ( 0.1817011 -0.0000000 -0.1817011), wk = 0.0028986 k( 208) = ( 0.1872072 0.0000000 -0.1872072), wk = 0.0028986 k( 209) = ( 0.1927133 0.0000000 -0.1927133), wk = 0.0028986 k( 210) = ( 0.1982193 0.0000000 -0.1982193), wk = 0.0028986 k( 211) = ( 0.2037254 0.0000000 -0.2037254), wk = 0.0028986 k( 212) = ( 0.2092315 0.0000000 -0.2092315), wk = 0.0028986 k( 213) = ( 0.2147376 0.0000000 -0.2147376), wk = 0.0028986 k( 214) = ( 0.2202437 -0.0000000 -0.2202437), wk = 0.0028986 k( 215) = ( 0.2257498 0.0000000 -0.2257498), wk = 0.0028986 k( 216) = ( 0.2312559 0.0000000 -0.2312559), wk = 0.0028986 k( 217) = ( 0.2367620 0.0000000 -0.2367620), wk = 0.0028986 k( 218) = ( 0.2422681 0.0000000 -0.2422681), wk = 0.0028986 k( 219) = ( 0.2477742 0.0000000 -0.2477742), wk = 0.0028986 k( 220) = ( 0.2532803 0.0000000 -0.2532803), wk = 0.0028986 k( 221) = ( 0.2587864 0.0000000 -0.2587864), wk = 0.0028986 k( 222) = ( 0.2642925 0.0000000 -0.2642925), wk = 0.0028986 k( 223) = ( 0.2697986 0.0000000 -0.2697986), wk = 0.0028986 k( 224) = ( 0.2753046 0.0000000 -0.2753046), wk = 0.0028986 k( 225) = ( 0.2808107 0.0000000 -0.2808107), wk = 0.0028986 k( 226) = ( 0.2863168 0.0000000 -0.2863168), wk = 0.0028986 k( 227) = ( 0.2918229 0.0000000 -0.2918229), wk = 0.0028986 k( 228) = ( 0.2973290 0.0000000 -0.2973290), wk = 0.0028986 k( 229) = ( 0.3028351 0.0000000 -0.3028351), wk = 0.0028986 k( 230) = ( 0.3083412 0.0000000 -0.3083412), wk = 0.0028986 k( 231) = ( 0.3138473 0.0000000 -0.3138473), wk = 0.0028986 k( 232) = ( 0.3193534 0.0000000 -0.3193534), wk = 0.0028986 k( 233) = ( 0.3248595 -0.0000000 -0.3248595), wk = 0.0028986 k( 234) = ( 0.3303656 -0.0000000 -0.3303656), wk = 0.0028986 k( 235) = ( 0.3358717 0.0000000 -0.3358717), wk = 0.0028986 k( 236) = ( 0.3413778 -0.0000000 -0.3413778), wk = 0.0028986 k( 237) = ( 0.6586222 0.3413778 -0.0000000), wk = 0.0028986 k( 238) = ( 0.6531525 0.3468475 -0.0000000), wk = 0.0028986 k( 239) = ( 0.6476828 0.3523172 -0.0000000), wk = 0.0028986 k( 240) = ( 0.6422130 0.3577870 -0.0000000), wk = 0.0028986 k( 241) = ( 0.6367433 0.3632567 -0.0000000), wk = 0.0028986 k( 242) = ( 0.6312736 0.3687264 0.0000000), wk = 0.0028986 k( 243) = ( 0.6258039 0.3741962 -0.0000000), wk = 0.0028986 k( 244) = ( 0.6203341 0.3796659 0.0000000), wk = 0.0028986 k( 245) = ( 0.6148644 0.3851356 -0.0000000), wk = 0.0028986 k( 246) = ( 0.6093947 0.3906054 -0.0000000), wk = 0.0028986 k( 247) = ( 0.6039249 0.3960751 0.0000000), wk = 0.0028986 k( 248) = ( 0.5984552 0.4015448 0.0000000), wk = 0.0028986 k( 249) = ( 0.5929855 0.4070146 -0.0000000), wk = 0.0028986 k( 250) = ( 0.5875157 0.4124843 -0.0000000), wk = 0.0028986 k( 251) = ( 0.5820460 0.4179540 -0.0000000), wk = 0.0028986 k( 252) = ( 0.5765763 0.4234238 -0.0000000), wk = 0.0028986 k( 253) = ( 0.5711065 0.4288935 -0.0000000), wk = 0.0028986 k( 254) = ( 0.5656368 0.4343632 -0.0000000), wk = 0.0028986 k( 255) = ( 0.5601671 0.4398329 0.0000000), wk = 0.0028986 k( 256) = ( 0.5546973 0.4453027 0.0000000), wk = 0.0028986 k( 257) = ( 0.5492276 0.4507724 -0.0000000), wk = 0.0028986 k( 258) = ( 0.5437579 0.4562421 0.0000000), wk = 0.0028986 k( 259) = ( 0.5382881 0.4617119 -0.0000000), wk = 0.0028986 k( 260) = ( 0.5328184 0.4671816 -0.0000000), wk = 0.0028986 k( 261) = ( 0.5273487 0.4726513 -0.0000000), wk = 0.0028986 k( 262) = ( 0.5218789 0.4781211 -0.0000000), wk = 0.0028986 k( 263) = ( 0.5164092 0.4835908 -0.0000000), wk = 0.0028986 k( 264) = ( 0.5109395 0.4890605 -0.0000000), wk = 0.0028986 k( 265) = ( 0.5054697 0.4945303 -0.0000000), wk = 0.0028986 k( 266) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028986 k( 267) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028986 k( 268) = ( 0.5176247 0.5176247 0.0203062), wk = 0.0028986 k( 269) = ( 0.5352494 0.5352494 0.0406123), wk = 0.0028986 k( 270) = ( 0.5528741 0.5528741 0.0609185), wk = 0.0028986 k( 271) = ( 0.5704988 0.5704988 0.0812247), wk = 0.0028986 k( 272) = ( 0.5881235 0.5881235 0.1015308), wk = 0.0028986 k( 273) = ( 0.6057482 0.6057482 0.1218370), wk = 0.0028986 k( 274) = ( 0.6233728 0.6233729 0.1421432), wk = 0.0028986 k( 275) = ( 0.6409976 0.6409976 0.1624493), wk = 0.0028986 k( 276) = ( 0.6586222 0.6586222 0.1827555), wk = 0.0028986 k( 277) = ( 0.6586222 0.6586222 0.1827555), wk = 0.0028986 k( 278) = ( 0.6554498 0.6554498 0.1891004), wk = 0.0028986 k( 279) = ( 0.6522773 0.6522774 0.1954453), wk = 0.0028986 k( 280) = ( 0.6491049 0.6491049 0.2017902), wk = 0.0028986 k( 281) = ( 0.6459325 0.6459325 0.2081351), wk = 0.0028986 k( 282) = ( 0.6427600 0.6427600 0.2144800), wk = 0.0028986 k( 283) = ( 0.6395876 0.6395876 0.2208249), wk = 0.0028986 k( 284) = ( 0.6364151 0.6364151 0.2271698), wk = 0.0028986 k( 285) = ( 0.6332427 0.6332427 0.2335146), wk = 0.0028986 k( 286) = ( 0.6300702 0.6300702 0.2398595), wk = 0.0028986 k( 287) = ( 0.6268978 0.6268978 0.2462044), wk = 0.0028986 k( 288) = ( 0.6237253 0.6237254 0.2525493), wk = 0.0028986 k( 289) = ( 0.6205529 0.6205529 0.2588942), wk = 0.0028986 k( 290) = ( 0.6173805 0.6173805 0.2652391), wk = 0.0028986 k( 291) = ( 0.6142080 0.6142080 0.2715840), wk = 0.0028986 k( 292) = ( 0.6110356 0.6110356 0.2779289), wk = 0.0028986 k( 293) = ( 0.6078631 0.6078631 0.2842738), wk = 0.0028986 k( 294) = ( 0.6046907 0.6046907 0.2906186), wk = 0.0028986 k( 295) = ( 0.6015182 0.6015182 0.2969635), wk = 0.0028986 k( 296) = ( 0.5983458 0.5983458 0.3033084), wk = 0.0028986 k( 297) = ( 0.5951733 0.5951733 0.3096533), wk = 0.0028986 k( 298) = ( 0.5920009 0.5920009 0.3159982), wk = 0.0028986 k( 299) = ( 0.5888285 0.5888285 0.3223431), wk = 0.0028986 k( 300) = ( 0.5856560 0.5856560 0.3286880), wk = 0.0028986 k( 301) = ( 0.5824836 0.5824836 0.3350329), wk = 0.0028986 k( 302) = ( 0.5793111 0.5793111 0.3413778), wk = 0.0028986 k( 303) = ( 0.5761387 0.5761387 0.3477227), wk = 0.0028986 k( 304) = ( 0.5729662 0.5729662 0.3540675), wk = 0.0028986 k( 305) = ( 0.5697938 0.5697938 0.3604124), wk = 0.0028986 k( 306) = ( 0.5666213 0.5666213 0.3667573), wk = 0.0028986 k( 307) = ( 0.5634489 0.5634489 0.3731022), wk = 0.0028986 k( 308) = ( 0.5602765 0.5602765 0.3794471), wk = 0.0028986 k( 309) = ( 0.5571040 0.5571040 0.3857920), wk = 0.0028986 k( 310) = ( 0.5539316 0.5539316 0.3921369), wk = 0.0028986 k( 311) = ( 0.5507591 0.5507591 0.3984818), wk = 0.0028986 k( 312) = ( 0.5475867 0.5475867 0.4048267), wk = 0.0028986 k( 313) = ( 0.5444142 0.5444142 0.4111715), wk = 0.0028986 k( 314) = ( 0.5412418 0.5412418 0.4175164), wk = 0.0028986 k( 315) = ( 0.5380693 0.5380693 0.4238613), wk = 0.0028986 k( 316) = ( 0.5348969 0.5348969 0.4302062), wk = 0.0028986 k( 317) = ( 0.5317245 0.5317245 0.4365511), wk = 0.0028986 k( 318) = ( 0.5285520 0.5285520 0.4428960), wk = 0.0028986 k( 319) = ( 0.5253796 0.5253796 0.4492409), wk = 0.0028986 k( 320) = ( 0.5222071 0.5222071 0.4555858), wk = 0.0028986 k( 321) = ( 0.5190347 0.5190347 0.4619307), wk = 0.0028986 k( 322) = ( 0.5158622 0.5158622 0.4682755), wk = 0.0028986 k( 323) = ( 0.5126898 0.5126898 0.4746204), wk = 0.0028986 k( 324) = ( 0.5095173 0.5095173 0.4809653), wk = 0.0028986 k( 325) = ( 0.5063449 0.5063449 0.4873102), wk = 0.0028986 k( 326) = ( 0.5031724 0.5031724 0.4936551), wk = 0.0028986 k( 327) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028986 k( 328) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028986 k( 329) = ( 0.5186614 0.0200810 0.0200810), wk = 0.0028986 k( 330) = ( 0.5373229 0.0401621 0.0401621), wk = 0.0028986 k( 331) = ( 0.5559843 0.0602431 0.0602431), wk = 0.0028986 k( 332) = ( 0.5746458 0.0803242 0.0803242), wk = 0.0028986 k( 333) = ( 0.5933072 0.1004052 0.1004052), wk = 0.0028986 k( 334) = ( 0.6119686 0.1204863 0.1204863), wk = 0.0028986 k( 335) = ( 0.6306301 0.1405673 0.1405673), wk = 0.0028986 k( 336) = ( 0.6492915 0.1606484 0.1606484), wk = 0.0028986 k( 337) = ( 0.6679530 0.1807294 0.1807294), wk = 0.0028986 k( 338) = ( 0.6866144 0.2008105 0.2008104), wk = 0.0028986 k( 339) = ( 0.7052758 0.2208915 0.2208915), wk = 0.0028986 k( 340) = ( 0.7239373 0.2409725 0.2409725), wk = 0.0028986 k( 341) = ( 0.7425987 0.2610536 0.2610536), wk = 0.0028986 k( 342) = ( 0.7612602 0.2811346 0.2811346), wk = 0.0028986 k( 343) = ( 0.7799216 0.3012157 0.3012157), wk = 0.0028986 k( 344) = ( 0.7985830 0.3212967 0.3212967), wk = 0.0028986 k( 345) = ( 0.8172445 0.3413778 0.3413778), wk = 0.0028986 Dense grid: 45089 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 19943 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 142, 40) NL pseudopotentials 0.10 Mb ( 71, 96) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.01 Mb ( 1253) G-vector shells 0.01 Mb ( 1049) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.35 Mb ( 142, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.12 Mb ( 96, 2, 40) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./RbYO2.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.6 secs Computing kpt #: 2 total cpu time spent up to now is 6.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.9 secs Computing kpt #: 5 total cpu time spent up to now is 7.3 secs Computing kpt #: 6 total cpu time spent up to now is 7.7 secs Computing kpt #: 7 total cpu time spent up to now is 8.1 secs Computing kpt #: 8 total cpu time spent up to now is 8.5 secs Computing kpt #: 9 total cpu time spent up to now is 8.9 secs Computing kpt #: 10 total cpu time spent up to now is 9.4 secs Computing kpt #: 11 total cpu time spent up to now is 9.8 secs Computing kpt #: 12 total cpu time spent up to now is 10.2 secs Computing kpt #: 13 total cpu time spent up to now is 10.7 secs Computing kpt #: 14 total cpu time spent up to now is 11.1 secs Computing kpt #: 15 total cpu time spent up to now is 11.5 secs Computing kpt #: 16 total cpu time spent up to now is 11.9 secs Computing kpt #: 17 total cpu time spent up to now is 12.4 secs Computing kpt #: 18 total cpu time spent up to now is 12.8 secs Computing kpt #: 19 total cpu time spent up to now is 13.2 secs Computing kpt #: 20 total cpu time spent up to now is 13.7 secs Computing kpt #: 21 total cpu time spent up to now is 14.1 secs Computing kpt #: 22 total cpu time spent up to now is 14.5 secs Computing kpt #: 23 total cpu time spent up to now is 15.0 secs Computing kpt #: 24 total cpu time spent up to now is 15.4 secs Computing kpt #: 25 total cpu time spent up to now is 15.9 secs Computing kpt #: 26 total cpu time spent up to now is 16.3 secs Computing kpt #: 27 total cpu time spent up to now is 16.7 secs Computing kpt #: 28 total cpu time spent up to now is 17.2 secs Computing kpt #: 29 total cpu time spent up to now is 17.6 secs Computing kpt #: 30 total cpu time spent up to now is 18.1 secs Computing kpt #: 31 total cpu time spent up to now is 18.5 secs Computing kpt #: 32 total cpu time spent up to now is 19.0 secs Computing kpt #: 33 total cpu time spent up to now is 19.4 secs Computing kpt #: 34 total cpu time spent up to now is 19.9 secs Computing kpt #: 35 total cpu time spent up to now is 20.3 secs Computing kpt #: 36 total cpu time spent up to now is 20.8 secs Computing kpt #: 37 total cpu time spent up to now is 21.2 secs Computing kpt #: 38 total cpu time spent up to now is 21.7 secs Computing kpt #: 39 total cpu time spent up to now is 22.1 secs Computing kpt #: 40 total cpu time spent up to now is 22.6 secs Computing kpt #: 41 total cpu time spent up to now is 23.0 secs Computing kpt #: 42 total cpu time spent up to now is 23.5 secs Computing kpt #: 43 total cpu time spent up to now is 24.0 secs Computing kpt #: 44 total cpu time spent up to now is 24.4 secs Computing kpt #: 45 total cpu time spent up to now is 24.9 secs Computing kpt #: 46 total cpu time spent up to now is 25.3 secs Computing kpt #: 47 total cpu time spent up to now is 25.8 secs Computing kpt #: 48 total cpu time spent up to now is 26.2 secs Computing kpt #: 49 total cpu time spent up to now is 26.7 secs Computing kpt #: 50 total cpu time spent up to now is 27.1 secs Computing kpt #: 51 total cpu time spent up to now is 27.6 secs Computing kpt #: 52 total cpu time spent up to now is 28.0 secs Computing kpt #: 53 total cpu time spent up to now is 28.4 secs Computing kpt #: 54 total cpu time spent up to now is 28.9 secs Computing kpt #: 55 total cpu time spent up to now is 29.3 secs Computing kpt #: 56 total cpu time spent up to now is 29.8 secs Computing kpt #: 57 total cpu time spent up to now is 30.2 secs Computing kpt #: 58 total cpu time spent up to now is 30.7 secs Computing kpt #: 59 total cpu time spent up to now is 31.1 secs Computing kpt #: 60 total cpu time spent up to now is 31.6 secs Computing kpt #: 61 total cpu time spent up to now is 32.0 secs Computing kpt #: 62 total cpu time spent up to now is 32.5 secs Computing kpt #: 63 total cpu time spent up to now is 32.9 secs Computing kpt #: 64 total cpu time spent 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Computing kpt #: 142 total cpu time spent up to now is 67.1 secs Computing kpt #: 143 total cpu time spent up to now is 67.5 secs Computing kpt #: 144 total cpu time spent up to now is 67.9 secs Computing kpt #: 145 total cpu time spent up to now is 68.4 secs Computing kpt #: 146 total cpu time spent up to now is 68.8 secs Computing kpt #: 147 total cpu time spent up to now is 69.2 secs Computing kpt #: 148 total cpu time spent up to now is 69.6 secs Computing kpt #: 149 total cpu time spent up to now is 70.0 secs Computing kpt #: 150 total cpu time spent up to now is 70.6 secs Computing kpt #: 151 total cpu time spent up to now is 71.0 secs Computing kpt #: 152 total cpu time spent up to now is 71.4 secs Computing kpt #: 153 total cpu time spent up to now is 71.8 secs Computing kpt #: 154 total cpu time spent up to now is 72.3 secs Computing kpt #: 155 total cpu time spent up to now is 72.7 secs Computing kpt #: 156 total cpu time spent up to now is 73.1 secs Computing kpt #: 157 total cpu time spent up to now is 73.6 secs Computing kpt #: 158 total cpu time spent up to now is 74.0 secs Computing kpt #: 159 total cpu time spent up to now is 74.4 secs Computing kpt #: 160 total cpu time spent up to now is 74.9 secs Computing kpt #: 161 total cpu time spent up to now is 75.3 secs Computing kpt #: 162 total cpu time spent up to now is 75.7 secs Computing kpt #: 163 total cpu time spent up to now is 76.1 secs Computing kpt #: 164 total cpu time spent up to now is 76.6 secs Computing kpt #: 165 total cpu time spent up to now is 77.0 secs Computing kpt #: 166 total cpu time spent up to now is 77.4 secs Computing kpt #: 167 total cpu time spent up to now is 77.8 secs Computing kpt #: 168 total cpu time spent up to now is 78.2 secs Computing kpt #: 169 total cpu time spent up to now is 78.6 secs Computing kpt #: 170 total cpu time spent up to now is 79.0 secs Computing kpt #: 171 total cpu time spent up to now is 79.5 secs Computing kpt #: 172 total cpu time spent up to now is 79.9 secs Computing kpt #: 173 total cpu time spent up to now is 80.3 secs Computing kpt #: 174 total cpu time spent up to now is 80.7 secs Computing kpt #: 175 total cpu time spent up to now is 81.1 secs Computing kpt #: 176 total cpu time spent up to now is 81.5 secs Computing kpt #: 177 total cpu time spent up to now is 81.9 secs Computing kpt #: 178 total cpu time spent up to now is 82.3 secs Computing kpt #: 179 total cpu time spent up to now is 82.8 secs Computing kpt #: 180 total cpu time spent up to now is 83.2 secs Computing kpt #: 181 total cpu time spent up to now is 83.6 secs Computing kpt #: 182 total cpu time spent up to now is 84.0 secs Computing kpt #: 183 total cpu time spent up to now is 84.4 secs Computing kpt #: 184 total cpu time spent up to now is 84.9 secs Computing kpt #: 185 total cpu time spent up to now is 85.3 secs Computing kpt #: 186 total cpu time spent up to now is 85.8 secs Computing kpt #: 187 total cpu time spent up to now is 86.2 secs Computing kpt #: 188 total cpu time spent up to now is 86.7 secs Computing kpt #: 189 total cpu time spent up to now is 87.1 secs Computing kpt #: 190 total cpu time spent up to now is 87.5 secs Computing kpt #: 191 total cpu time spent up to now is 88.0 secs Computing kpt #: 192 total cpu time spent up to now is 88.4 secs Computing kpt #: 193 total cpu time spent up to now is 88.9 secs Computing kpt #: 194 total cpu time spent up to now is 89.3 secs Computing kpt #: 195 total cpu time spent up to now is 89.7 secs Computing kpt #: 196 total cpu time spent up to now is 90.2 secs Computing kpt #: 197 total cpu time spent up to now is 90.6 secs Computing kpt #: 198 total cpu time spent up to now is 91.1 secs Computing kpt #: 199 total cpu time spent up to now is 91.6 secs Computing kpt #: 200 total cpu time spent up to now is 92.0 secs Computing kpt #: 201 total cpu time spent up to now is 92.5 secs Computing kpt #: 202 total cpu time spent up to now is 92.9 secs Computing kpt #: 203 total cpu time spent up to now is 93.4 secs Computing kpt #: 204 total cpu time spent up to now is 93.9 secs Computing kpt #: 205 total cpu time spent up to now is 94.3 secs Computing kpt #: 206 total cpu time spent up to now is 94.8 secs Computing kpt #: 207 total cpu time spent up to now is 95.2 secs Computing kpt #: 208 total cpu time spent up to now is 95.7 secs Computing kpt #: 209 total cpu time spent up to now is 96.2 secs Computing kpt #: 210 total cpu time spent up to now is 96.6 secs Computing kpt #: 211 total cpu time spent up to now is 97.0 secs Computing kpt #: 212 total cpu time spent up to now is 97.5 secs Computing kpt #: 213 total cpu time spent up to now is 97.9 secs Computing kpt #: 214 total cpu time spent up to now is 98.3 secs Computing kpt #: 215 total cpu time spent up to now is 98.7 secs Computing kpt #: 216 total cpu time spent up to now is 99.2 secs Computing kpt #: 217 total cpu time spent up to now is 99.6 secs Computing kpt #: 218 total cpu time spent up to now is 100.0 secs Computing kpt #: 219 total cpu time spent up to now is 100.4 secs Computing kpt #: 220 total cpu time spent up to now is 101.2 secs Computing kpt #: 221 total cpu time spent up to now is 101.6 secs Computing kpt #: 222 total cpu time spent up to now is 102.0 secs Computing kpt #: 223 total cpu time spent up to now is 102.4 secs Computing kpt #: 224 total cpu time spent up to now is 102.9 secs Computing kpt #: 225 total cpu time spent up to now is 103.3 secs Computing kpt #: 226 total cpu time spent up to now is 103.7 secs Computing kpt #: 227 total cpu time spent up to now is 104.1 secs Computing kpt #: 228 total cpu time spent up to now is 104.5 secs Computing kpt #: 229 total cpu time spent up to now is 104.9 secs Computing kpt #: 230 total cpu time spent up to now is 105.3 secs Computing kpt #: 231 total cpu time spent up to now is 105.7 secs Computing kpt #: 232 total cpu time spent up to now is 106.1 secs Computing kpt #: 233 total cpu time spent up to now is 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Computing kpt #: 249 total cpu time spent up to now is 113.6 secs Computing kpt #: 250 total cpu time spent up to now is 114.0 secs Computing kpt #: 251 total cpu time spent up to now is 114.4 secs Computing kpt #: 252 total cpu time spent up to now is 114.8 secs Computing kpt #: 253 total cpu time spent up to now is 115.2 secs Computing kpt #: 254 total cpu time spent up to now is 115.7 secs Computing kpt #: 255 total cpu time spent up to now is 116.1 secs Computing kpt #: 256 total cpu time spent up to now is 116.5 secs Computing kpt #: 257 total cpu time spent up to now is 116.9 secs Computing kpt #: 258 total cpu time spent up to now is 117.3 secs Computing kpt #: 259 total cpu time spent up to now is 117.7 secs Computing kpt #: 260 total cpu time spent up to now is 118.2 secs Computing kpt #: 261 total cpu time spent up to now is 118.6 secs Computing kpt #: 262 total cpu time spent up to now is 119.0 secs Computing kpt #: 263 total cpu time spent up to now is 119.4 secs Computing kpt #: 264 total cpu time spent up to now is 119.8 secs Computing kpt #: 265 total cpu time spent up to now is 120.2 secs Computing kpt #: 266 total cpu time spent up to now is 120.6 secs Computing kpt #: 267 total cpu time spent up to now is 121.1 secs Computing kpt #: 268 total cpu time spent up to now is 121.5 secs Computing kpt #: 269 total cpu time spent up to now is 121.9 secs Computing kpt #: 270 total cpu time spent up to now is 122.4 secs Computing kpt #: 271 total cpu time spent up to now is 122.9 secs Computing kpt #: 272 total cpu time spent up to now is 123.4 secs Computing kpt #: 273 total cpu time spent up to now is 123.9 secs Computing kpt #: 274 total cpu time spent up to now is 124.3 secs Computing kpt #: 275 total cpu time spent up to now is 124.7 secs Computing kpt #: 276 total cpu time spent up to now is 125.2 secs Computing kpt #: 277 total cpu time spent up to now is 125.6 secs Computing kpt #: 278 total cpu time spent up to now is 126.1 secs Computing kpt #: 279 total cpu time spent up to now is 126.5 secs Computing kpt #: 280 total cpu time spent up to now is 127.0 secs Computing kpt #: 281 total cpu time spent up to now is 127.4 secs Computing kpt #: 282 total cpu time spent up to now is 127.9 secs Computing kpt #: 283 total cpu time spent up to now is 128.3 secs Computing kpt #: 284 total cpu time spent up to now is 128.8 secs Computing kpt #: 285 total cpu time spent up to now is 129.3 secs Computing kpt #: 286 total cpu time spent up to now is 129.7 secs Computing kpt #: 287 total cpu time spent up to now is 130.2 secs Computing kpt #: 288 total cpu time spent up to now is 130.6 secs Computing kpt #: 289 total cpu time spent up to now is 131.1 secs Computing kpt #: 290 total cpu time spent up to now is 131.5 secs Computing kpt #: 291 total cpu time spent up to now is 132.0 secs Computing kpt #: 292 total cpu time spent up to now is 132.4 secs Computing kpt #: 293 total cpu time spent up to now is 132.8 secs Computing kpt #: 294 total cpu time spent up to now is 133.2 secs Computing kpt #: 295 total cpu time spent up to now is 133.7 secs Computing kpt #: 296 total cpu time spent up to now is 134.1 secs Computing kpt #: 297 total cpu time spent up to now is 134.5 secs Computing kpt #: 298 total cpu time spent up to now is 134.9 secs Computing kpt #: 299 total cpu time spent up to now is 135.3 secs Computing kpt #: 300 total cpu time spent up to now is 135.8 secs Computing kpt #: 301 total cpu time spent up to now is 136.2 secs Computing kpt #: 302 total cpu time spent up to now is 136.6 secs Computing kpt #: 303 total cpu time spent up to now is 137.0 secs Computing kpt #: 304 total cpu time spent up to now is 137.4 secs Computing kpt #: 305 total cpu time spent up to now is 137.8 secs Computing kpt #: 306 total cpu time spent up to now is 138.2 secs Computing kpt #: 307 total cpu time spent up to now is 138.7 secs Computing kpt #: 308 total cpu time spent up to now is 139.1 secs Computing kpt #: 309 total cpu time spent up to now is 139.5 secs Computing kpt #: 310 total cpu time spent up to now is 139.9 secs Computing kpt #: 311 total cpu time spent up to now is 140.3 secs Computing kpt #: 312 total cpu time spent up to now is 140.7 secs Computing kpt #: 313 total cpu time spent up to now is 141.1 secs Computing kpt #: 314 total cpu time spent up to now is 141.5 secs Computing kpt #: 315 total cpu time spent up to now is 142.0 secs Computing kpt #: 316 total cpu time spent up to now is 142.4 secs Computing kpt #: 317 total cpu time spent up to now is 142.8 secs Computing kpt #: 318 total cpu time spent up to now is 143.2 secs Computing kpt #: 319 total cpu time spent up to now is 143.6 secs Computing kpt #: 320 total cpu time spent up to now is 144.0 secs Computing kpt #: 321 total cpu time spent up to now is 144.4 secs Computing kpt #: 322 total cpu time spent up to now is 144.9 secs Computing kpt #: 323 total cpu time spent up to now is 145.3 secs Computing kpt #: 324 total cpu time spent up to now is 145.7 secs Computing kpt #: 325 total cpu time spent up to now is 146.2 secs Computing kpt #: 326 total cpu time spent up to now is 146.6 secs Computing kpt #: 327 total cpu time spent up to now is 147.1 secs Computing kpt #: 328 total cpu time spent up to now is 147.5 secs Computing kpt #: 329 total cpu time spent up to now is 147.9 secs Computing kpt #: 330 total cpu time spent up to now is 148.4 secs Computing kpt #: 331 total cpu time spent up to now is 148.8 secs Computing kpt #: 332 total cpu time spent up to now is 149.3 secs Computing kpt #: 333 total cpu time spent up to now is 149.8 secs Computing kpt #: 334 total cpu time spent up to now is 150.3 secs Computing kpt #: 335 total cpu time spent up to now is 150.8 secs Computing kpt #: 336 total cpu time spent up to now is 151.2 secs Computing kpt #: 337 total cpu time spent up to now is 151.6 secs Computing kpt #: 338 total cpu time spent up to now is 152.1 secs Computing kpt #: 339 total cpu time spent up to now is 152.5 secs Computing kpt #: 340 total cpu time spent up to now is 153.0 secs Computing kpt #: 341 total cpu time spent up to now is 153.4 secs Computing kpt #: 342 total cpu time spent up to now is 153.9 secs Computing kpt #: 343 total cpu time spent up to now is 154.3 secs Computing kpt #: 344 total cpu time spent up to now is 154.8 secs Computing kpt #: 345 total cpu time spent up to now is 155.2 secs ethr = 3.13E-08, avg # of iterations = 17.7 total cpu time spent up to now is 155.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2499 PWs) bands (ev): -32.0161 -32.0161 -17.3838 -17.3838 -13.0309 -13.0309 -11.7308 -11.7308 -11.2676 -11.2676 -7.6196 -7.6196 -6.8333 -6.8333 -1.5578 -1.5578 -0.7063 -0.7063 -0.3984 -0.3984 5.4602 5.4602 6.2353 6.2353 6.2446 6.2446 7.7278 7.7278 7.7813 7.7813 7.8002 7.8002 12.1366 12.1366 13.5070 13.5070 13.6561 13.6561 13.6801 13.6801 k = 0.0094-0.0165-0.0100 ( 2485 PWs) bands (ev): -32.0160 -32.0160 -17.3836 -17.3836 -13.0309 -13.0309 -11.7310 -11.7310 -11.2683 -11.2683 -7.6186 -7.6186 -6.8337 -6.8337 -1.5582 -1.5582 -0.7069 -0.7069 -0.3995 -0.3995 5.4618 5.4618 6.2358 6.2358 6.2451 6.2451 7.7267 7.7267 7.7800 7.7800 7.7983 7.7983 12.1407 12.1407 13.5090 13.5090 13.6560 13.6560 13.6802 13.6802 k = 0.0189-0.0330-0.0199 ( 2483 PWs) bands (ev): -32.0158 -32.0158 -17.3830 -17.3830 -13.0310 -13.0310 -11.7316 -11.7316 -11.2703 -11.2703 -7.6156 -7.6156 -6.8350 -6.8350 -1.5593 -1.5593 -0.7089 -0.7089 -0.4029 -0.4029 5.4665 5.4665 6.2373 6.2373 6.2465 6.2465 7.7230 7.7230 7.7755 7.7755 7.7934 7.7934 12.1530 12.1530 13.5146 13.5146 13.6542 13.6542 13.6821 13.6821 k = 0.0283-0.0495-0.0299 ( 2483 PWs) bands (ev): -32.0155 -32.0155 -17.3819 -17.3819 -13.0311 -13.0311 -11.7327 -11.7327 -11.2738 -11.2738 -7.6107 -7.6107 -6.8372 -6.8372 -1.5612 -1.5612 -0.7123 -0.7123 -0.4083 -0.4083 5.4742 5.4742 6.2397 6.2397 6.2489 6.2489 7.7159 7.7159 7.7671 7.7671 7.7873 7.7873 12.1732 12.1732 13.5233 13.5233 13.6489 13.6489 13.6883 13.6883 k = 0.0377-0.0659-0.0399 ( 2485 PWs) bands (ev): -32.0150 -32.0150 -17.3803 -17.3803 -13.0314 -13.0314 -11.7342 -11.7342 -11.2786 -11.2786 -7.6039 -7.6039 -6.8403 -6.8403 -1.5639 -1.5639 -0.7170 -0.7170 -0.4158 -0.4158 5.4849 5.4849 6.2431 6.2431 6.2522 6.2522 7.7032 7.7032 7.7559 7.7559 7.7813 7.7813 12.2013 12.2013 13.5334 13.5334 13.6413 13.6413 13.6992 13.6992 k = 0.0472-0.0824-0.0498 ( 2482 PWs) bands (ev): -32.0144 -32.0144 -17.3784 -17.3784 -13.0317 -13.0317 -11.7362 -11.7362 -11.2846 -11.2846 -7.5952 -7.5952 -6.8443 -6.8443 -1.5674 -1.5674 -0.7231 -0.7231 -0.4252 -0.4252 5.4985 5.4985 6.2474 6.2474 6.2565 6.2565 7.6830 7.6830 7.7449 7.7449 7.7750 7.7750 12.2367 12.2367 13.5411 13.5411 13.6358 13.6358 13.7142 13.7142 k = 0.0566-0.0989-0.0598 ( 2483 PWs) bands (ev): -32.0137 -32.0137 -17.3760 -17.3760 -13.0321 -13.0321 -11.7385 -11.7385 -11.2918 -11.2918 -7.5847 -7.5847 -6.8491 -6.8491 -1.5716 -1.5716 -0.7306 -0.7306 -0.4363 -0.4363 5.5147 5.5147 6.2524 6.2524 6.2618 6.2618 7.6547 7.6547 7.7354 7.7354 7.7682 7.7682 12.2790 12.2790 13.5403 13.5403 13.6388 13.6388 13.7330 13.7330 k = 0.0660-0.1154-0.0698 ( 2481 PWs) bands (ev): -32.0129 -32.0129 -17.3732 -17.3732 -13.0326 -13.0326 -11.7414 -11.7414 -11.3001 -11.3001 -7.5725 -7.5725 -6.8547 -6.8547 -1.5767 -1.5767 -0.7396 -0.7396 -0.4489 -0.4489 5.5334 5.5334 6.2580 6.2580 6.2681 6.2681 7.6197 7.6197 7.7267 7.7267 7.7608 7.7608 12.3279 12.3279 13.5274 13.5274 13.6542 13.6542 13.7553 13.7553 k = 0.0755-0.1319-0.0797 ( 2484 PWs) bands (ev): -32.0119 -32.0119 -17.3700 -17.3700 -13.0333 -13.0333 -11.7447 -11.7447 -11.3094 -11.3094 -7.5587 -7.5587 -6.8612 -6.8612 -1.5827 -1.5827 -0.7501 -0.7501 -0.4628 -0.4628 5.5544 5.5544 6.2642 6.2642 6.2754 6.2754 7.5793 7.5793 7.7182 7.7182 7.7527 7.7527 12.3827 12.3827 13.5054 13.5054 13.6789 13.6789 13.7808 13.7808 k = 0.0849-0.1484-0.0897 ( 2486 PWs) bands (ev): -32.0108 -32.0108 -17.3664 -17.3664 -13.0342 -13.0342 -11.7484 -11.7484 -11.3195 -11.3195 -7.5434 -7.5434 -6.8685 -6.8685 -1.5895 -1.5895 -0.7621 -0.7621 -0.4777 -0.4777 5.5774 5.5774 6.2707 6.2707 6.2837 6.2837 7.5346 7.5346 7.7094 7.7094 7.7442 7.7442 12.4428 12.4428 13.4778 13.4778 13.7094 13.7094 13.8096 13.8096 k = 0.0943-0.1649-0.0997 ( 2484 PWs) bands (ev): -32.0096 -32.0096 -17.3624 -17.3624 -13.0352 -13.0352 -11.7526 -11.7526 -11.3303 -11.3303 -7.5267 -7.5267 -6.8765 -6.8765 -1.5972 -1.5972 -0.7756 -0.7756 -0.4934 -0.4934 5.6021 5.6021 6.2775 6.2775 6.2929 6.2929 7.4866 7.4866 7.7000 7.7000 7.7355 7.7355 12.5077 12.5077 13.4465 13.4465 13.7438 13.7438 13.8415 13.8415 k = 0.1038-0.1814-0.1096 ( 2480 PWs) bands (ev): -32.0083 -32.0083 -17.3580 -17.3580 -13.0364 -13.0364 -11.7573 -11.7573 -11.3418 -11.3418 -7.5087 -7.5087 -6.8853 -6.8853 -1.6059 -1.6059 -0.7906 -0.7906 -0.5096 -0.5096 5.6283 5.6283 6.2845 6.2845 6.3030 6.3030 7.4360 7.4360 7.6897 7.6897 7.7267 7.7267 12.5766 12.5766 13.4128 13.4128 13.7807 13.7807 13.8762 13.8762 k = 0.1132-0.1978-0.1196 ( 2480 PWs) bands (ev): -32.0069 -32.0069 -17.3533 -17.3533 -13.0378 -13.0378 -11.7625 -11.7625 -11.3536 -11.3536 -7.4896 -7.4896 -6.8947 -6.8947 -1.6156 -1.6156 -0.8072 -0.8072 -0.5260 -0.5260 5.6556 5.6556 6.2915 6.2915 6.3139 6.3139 7.3835 7.3835 7.6786 7.6786 7.7181 7.7181 12.6487 12.6487 13.3774 13.3774 13.8192 13.8192 13.9137 13.9137 k = 0.1226-0.2143-0.1296 ( 2476 PWs) bands (ev): -32.0054 -32.0054 -17.3482 -17.3482 -13.0395 -13.0395 -11.7681 -11.7681 -11.3657 -11.3657 -7.4695 -7.4695 -6.9047 -6.9047 -1.6264 -1.6264 -0.8251 -0.8251 -0.5425 -0.5425 5.6837 5.6837 6.2984 6.2984 6.3254 6.3254 7.3298 7.3298 7.6666 7.6666 7.7097 7.7097 12.7233 12.7233 13.3410 13.3410 13.8584 13.8584 13.9537 13.9537 k = 0.1321-0.2308-0.1395 ( 2476 PWs) bands (ev): -32.0038 -32.0038 -17.3428 -17.3428 -13.0415 -13.0415 -11.7743 -11.7743 -11.3780 -11.3780 -7.4486 -7.4486 -6.9153 -6.9153 -1.6383 -1.6383 -0.8444 -0.8444 -0.5588 -0.5588 5.7124 5.7124 6.3050 6.3050 6.3376 6.3376 7.2758 7.2758 7.6537 7.6537 7.7018 7.7018 12.7993 12.7993 13.3045 13.3045 13.8975 13.8975 13.9961 13.9961 k = 0.1415-0.2473-0.1495 ( 2477 PWs) bands (ev): -32.0021 -32.0021 -17.3371 -17.3371 -13.0438 -13.0438 -11.7809 -11.7809 -11.3903 -11.3903 -7.4271 -7.4271 -6.9262 -6.9262 -1.6514 -1.6514 -0.8648 -0.8648 -0.5749 -0.5749 5.7412 5.7412 6.3110 6.3110 6.3504 6.3504 7.2220 7.2220 7.6400 7.6400 7.6944 7.6944 12.8749 12.8749 13.2691 13.2691 13.9360 13.9360 14.0407 14.0407 k = 0.1509-0.2638-0.1595 ( 2474 PWs) bands (ev): -32.0003 -32.0003 -17.3311 -17.3311 -13.0464 -13.0464 -11.7880 -11.7880 -11.4025 -11.4025 -7.4052 -7.4052 -6.9374 -6.9374 -1.6657 -1.6657 -0.8861 -0.8861 -0.5906 -0.5906 5.7699 5.7699 6.3162 6.3162 6.3636 6.3636 7.1692 7.1692 7.6258 7.6258 7.6874 7.6874 12.9474 12.9474 13.2373 13.2373 13.9732 13.9732 14.0873 14.0873 k = 0.1604-0.2803-0.1694 ( 2472 PWs) bands (ev): -31.9984 -31.9984 -17.3249 -17.3249 -13.0494 -13.0494 -11.7956 -11.7956 -11.4144 -11.4144 -7.3832 -7.3832 -6.9488 -6.9488 -1.6813 -1.6813 -0.9081 -0.9081 -0.6059 -0.6059 5.7981 5.7981 6.3202 6.3202 6.3771 6.3771 7.1182 7.1182 7.6110 7.6110 7.6809 7.6809 13.0096 13.0096 13.2155 13.2155 14.0086 14.0086 14.1359 14.1359 k = 0.1698-0.2968-0.1794 ( 2474 PWs) bands (ev): -31.9965 -31.9965 -17.3183 -17.3183 -13.0528 -13.0528 -11.8036 -11.8036 -11.4260 -11.4260 -7.3613 -7.3613 -6.9600 -6.9600 -1.6983 -1.6983 -0.9306 -0.9306 -0.6207 -0.6207 5.8256 5.8256 6.3228 6.3228 6.3909 6.3909 7.0696 7.0696 7.5959 7.5959 7.6749 7.6749 13.0447 13.0447 13.2198 13.2198 14.0418 14.0418 14.1863 14.1863 k = 0.1792-0.3132-0.1894 ( 2475 PWs) bands (ev): -31.9945 -31.9945 -17.3116 -17.3116 -13.0566 -13.0566 -11.8120 -11.8120 -11.4371 -11.4371 -7.3401 -7.3401 -6.9707 -6.9707 -1.7167 -1.7167 -0.9533 -0.9533 -0.6350 -0.6350 5.8520 5.8520 6.3234 6.3234 6.4049 6.4049 7.0243 7.0243 7.5807 7.5807 7.6692 7.6692 13.0417 13.0417 13.2605 13.2605 14.0726 14.0726 14.2385 14.2385 k = 0.1887-0.3297-0.1993 ( 2475 PWs) bands (ev): -31.9924 -31.9924 -17.3046 -17.3046 -13.0608 -13.0608 -11.8207 -11.8207 -11.4476 -11.4476 -7.3198 -7.3198 -6.9806 -6.9806 -1.7365 -1.7365 -0.9760 -0.9760 -0.6488 -0.6488 5.8770 5.8770 6.3217 6.3217 6.4190 6.4190 6.9831 6.9831 7.5653 7.5653 7.6639 7.6639 13.0170 13.0170 13.3203 13.3203 14.1011 14.1011 14.2924 14.2924 k = 0.1981-0.3462-0.2093 ( 2478 PWs) bands (ev): -31.9903 -31.9903 -17.2974 -17.2974 -13.0655 -13.0655 -11.8298 -11.8298 -11.4576 -11.4576 -7.3012 -7.3012 -6.9891 -6.9891 -1.7578 -1.7578 -0.9984 -0.9984 -0.6622 -0.6622 5.9004 5.9004 6.3173 6.3173 6.4330 6.4330 6.9465 6.9465 7.5500 7.5500 7.6589 7.6589 12.9845 12.9845 13.3843 13.3843 14.1274 14.1274 14.3477 14.3477 k = 0.2075-0.3627-0.2193 ( 2479 PWs) bands (ev): -31.9881 -31.9881 -17.2901 -17.2901 -13.0706 -13.0706 -11.8392 -11.8392 -11.4668 -11.4668 -7.2849 -7.2849 -6.9955 -6.9955 -1.7805 -1.7805 -1.0204 -1.0204 -0.6750 -0.6750 5.9219 5.9219 6.3099 6.3099 6.4470 6.4470 6.9153 6.9153 7.5349 7.5349 7.6541 7.6541 12.9492 12.9492 13.4462 13.4462 14.1516 14.1516 14.4044 14.4044 k = 0.2170-0.3792-0.2293 ( 2479 PWs) bands (ev): -31.9859 -31.9859 -17.2826 -17.2826 -13.0761 -13.0761 -11.8487 -11.8487 -11.4754 -11.4754 -7.2718 -7.2718 -6.9990 -6.9990 -1.8046 -1.8046 -1.0417 -1.0417 -0.6874 -0.6874 5.9413 5.9413 6.2996 6.2996 6.4607 6.4607 6.8898 6.8898 7.5201 7.5201 7.6494 7.6494 12.9130 12.9130 13.5030 13.5030 14.1739 14.1739 14.4624 14.4624 k = 0.2264-0.3957-0.2392 ( 2479 PWs) bands (ev): -31.9837 -31.9837 -17.2751 -17.2751 -13.0821 -13.0821 -11.8584 -11.8584 -11.4832 -11.4832 -7.2627 -7.2627 -6.9989 -6.9989 -1.8300 -1.8300 -1.0622 -1.0622 -0.6994 -0.6994 5.9583 5.9583 6.2867 6.2867 6.4742 6.4742 6.8700 6.8700 7.5056 7.5056 7.6445 7.6445 12.8767 12.8767 13.5528 13.5528 14.1944 14.1944 14.5214 14.5214 k = 0.2358-0.4122-0.2492 ( 2485 PWs) bands (ev): -31.9814 -31.9814 -17.2674 -17.2674 -13.0886 -13.0886 -11.8682 -11.8682 -11.4903 -11.4903 -7.2582 -7.2582 -6.9946 -6.9946 -1.8567 -1.8567 -1.0819 -1.0819 -0.7109 -0.7109 5.9725 5.9725 6.2716 6.2716 6.4873 6.4873 6.8559 6.8559 7.4916 7.4916 7.6394 7.6394 12.8406 12.8406 13.5939 13.5939 14.2132 14.2132 14.5812 14.5812 k = 0.2453-0.4287-0.2592 ( 2483 PWs) bands (ev): -31.9792 -31.9792 -17.2597 -17.2597 -13.0955 -13.0955 -11.8779 -11.8779 -11.4966 -11.4966 -7.2583 -7.2583 -6.9860 -6.9860 -1.8846 -1.8846 -1.1007 -1.1007 -0.7221 -0.7221 5.9836 5.9836 6.2554 6.2554 6.4999 6.4999 6.8469 6.8469 7.4782 7.4782 7.6339 7.6339 12.8051 12.8051 13.6253 13.6253 14.2308 14.2308 14.6418 14.6418 k = 0.2547-0.4451-0.2691 ( 2486 PWs) bands (ev): -31.9769 -31.9769 -17.2519 -17.2519 -13.1028 -13.1028 -11.8876 -11.8876 -11.5023 -11.5023 -7.2627 -7.2627 -6.9735 -6.9735 -1.9134 -1.9134 -1.1185 -1.1185 -0.7328 -0.7328 5.9910 5.9910 6.2394 6.2394 6.5120 6.5120 6.8424 6.8424 7.4654 7.4654 7.6277 7.6277 12.7703 12.7703 13.6463 13.6463 14.2474 14.2474 14.7027 14.7027 k = 0.2642-0.4616-0.2791 ( 2491 PWs) bands (ev): -31.9747 -31.9747 -17.2441 -17.2441 -13.1104 -13.1104 -11.8971 -11.8971 -11.5072 -11.5072 -7.2707 -7.2707 -6.9578 -6.9578 -1.9431 -1.9431 -1.1353 -1.1353 -0.7430 -0.7430 5.9944 5.9944 6.2249 6.2249 6.5235 6.5235 6.8418 6.8418 7.4534 7.4534 7.6208 7.6208 12.7364 12.7364 13.6569 13.6569 14.2637 14.2637 14.7634 14.7634 k = 0.2736-0.4781-0.2891 ( 2492 PWs) bands (ev): -31.9724 -31.9724 -17.2364 -17.2364 -13.1184 -13.1184 -11.9064 -11.9064 -11.5115 -11.5115 -7.2816 -7.2816 -6.9396 -6.9396 -1.9734 -1.9734 -1.1511 -1.1511 -0.7529 -0.7529 5.9931 5.9931 6.2133 6.2133 6.5343 6.5343 6.8442 6.8442 7.4421 7.4421 7.6128 7.6128 12.7034 12.7034 13.6576 13.6576 14.2804 14.2804 14.8229 14.8229 k = 0.2830-0.4946-0.2990 ( 2494 PWs) bands (ev): -31.9702 -31.9702 -17.2287 -17.2287 -13.1267 -13.1267 -11.9156 -11.9156 -11.5151 -11.5151 -7.2947 -7.2947 -6.9197 -6.9197 -2.0043 -2.0043 -1.1661 -1.1661 -0.7624 -0.7624 5.9871 5.9871 6.2054 6.2054 6.5443 6.5443 6.8491 6.8491 7.4316 7.4316 7.6035 7.6035 12.6715 12.6715 13.6495 13.6495 14.2980 14.2980 14.8785 14.8785 k = 0.2925-0.5111-0.3090 ( 2492 PWs) bands (ev): -31.9680 -31.9680 -17.2211 -17.2211 -13.1353 -13.1353 -11.9244 -11.9244 -11.5181 -11.5181 -7.3094 -7.3094 -6.8986 -6.8986 -2.0354 -2.0354 -1.1802 -1.1802 -0.7715 -0.7715 5.9767 5.9767 6.2016 6.2016 6.5537 6.5537 6.8559 6.8559 7.4220 7.4220 7.5929 7.5929 12.6407 12.6407 13.6340 13.6340 14.3168 14.3168 14.9305 14.9305 k = 0.3019-0.5276-0.3190 ( 2492 PWs) bands (ev): -31.9658 -31.9658 -17.2135 -17.2135 -13.1441 -13.1441 -11.9328 -11.9328 -11.5206 -11.5206 -7.3251 -7.3251 -6.8768 -6.8768 -2.0666 -2.0666 -1.1934 -1.1934 -0.7802 -0.7802 5.9629 5.9629 6.2016 6.2016 6.5622 6.5622 6.8640 6.8640 7.4132 7.4132 7.5806 7.5806 12.6111 12.6111 13.6124 13.6124 14.3371 14.3371 14.9829 14.9829 k = 0.3113-0.5441-0.3289 ( 2492 PWs) bands (ev): -31.9636 -31.9636 -17.2062 -17.2062 -13.1530 -13.1530 -11.9410 -11.9410 -11.5225 -11.5225 -7.3415 -7.3415 -6.8547 -6.8547 -2.0978 -2.0978 -1.2058 -1.2058 -0.7885 -0.7885 5.9467 5.9467 6.2050 6.2050 6.5699 6.5699 6.8731 6.8731 7.4053 7.4053 7.5667 7.5667 12.5827 12.5827 13.5863 13.5863 14.3588 14.3588 15.0378 15.0378 k = 0.3208-0.5605-0.3389 ( 2496 PWs) bands (ev): -31.9616 -31.9616 -17.1989 -17.1989 -13.1620 -13.1620 -11.9487 -11.9487 -11.5240 -11.5240 -7.3584 -7.3584 -6.8326 -6.8326 -2.1288 -2.1288 -1.2175 -1.2175 -0.7964 -0.7964 5.9292 5.9292 6.2110 6.2110 6.5768 6.5768 6.8828 6.8828 7.3983 7.3983 7.5510 7.5510 12.5557 12.5557 13.5568 13.5568 14.3817 14.3817 15.0951 15.0951 k = 0.3302-0.5770-0.3489 ( 2496 PWs) bands (ev): -31.9595 -31.9595 -17.1919 -17.1919 -13.1710 -13.1710 -11.9561 -11.9561 -11.5250 -11.5250 -7.3755 -7.3755 -6.8106 -6.8106 -2.1592 -2.1592 -1.2285 -1.2285 -0.8039 -0.8039 5.9111 5.9111 6.2194 6.2194 6.5828 6.5828 6.8928 6.8928 7.3921 7.3921 7.5333 7.5333 12.5300 12.5300 13.5250 13.5250 14.4059 14.4059 15.1543 15.1543 k = 0.3396-0.5935-0.3588 ( 2497 PWs) bands (ev): -31.9576 -31.9576 -17.1850 -17.1850 -13.1800 -13.1800 -11.9630 -11.9630 -11.5257 -11.5257 -7.3925 -7.3925 -6.7890 -6.7890 -2.1891 -2.1891 -1.2388 -1.2388 -0.8110 -0.8110 5.8931 5.8931 6.2298 6.2298 6.5880 6.5880 6.9029 6.9029 7.3866 7.3866 7.5139 7.5139 12.5057 12.5057 13.4918 13.4918 14.4310 14.4310 15.2150 15.2150 k = 0.3491-0.6100-0.3688 ( 2500 PWs) bands (ev): -31.9557 -31.9557 -17.1784 -17.1784 -13.1890 -13.1890 -11.9695 -11.9695 -11.5260 -11.5260 -7.4093 -7.4093 -6.7680 -6.7680 -2.2182 -2.2182 -1.2484 -1.2484 -0.8178 -0.8178 5.8756 5.8756 6.2420 6.2420 6.5925 6.5925 6.9130 6.9130 7.3818 7.3818 7.4926 7.4926 12.4828 12.4828 13.4580 13.4580 14.4569 14.4569 15.2765 15.2765 k = 0.3585-0.6265-0.3788 ( 2499 PWs) bands (ev): -31.9539 -31.9539 -17.1721 -17.1721 -13.1977 -13.1977 -11.9756 -11.9756 -11.5260 -11.5260 -7.4258 -7.4258 -6.7476 -6.7476 -2.2464 -2.2464 -1.2575 -1.2575 -0.8242 -0.8242 5.8588 5.8588 6.2559 6.2559 6.5963 6.5963 6.9227 6.9227 7.3775 7.3775 7.4697 7.4697 12.4613 12.4613 13.4242 13.4242 14.4835 14.4835 15.3382 15.3382 k = 0.3679-0.6430-0.3887 ( 2497 PWs) bands (ev): -31.9521 -31.9521 -17.1660 -17.1660 -13.2063 -13.2063 -11.9813 -11.9813 -11.5257 -11.5257 -7.4418 -7.4418 -6.7280 -6.7280 -2.2735 -2.2735 -1.2659 -1.2659 -0.8302 -0.8302 5.8430 5.8430 6.2715 6.2715 6.5994 6.5994 6.9321 6.9321 7.3732 7.3732 7.4456 7.4456 12.4413 12.4413 13.3908 13.3908 14.5104 14.5104 15.3992 15.3992 k = 0.3774-0.6595-0.3987 ( 2495 PWs) bands (ev): -31.9505 -31.9505 -17.1602 -17.1602 -13.2145 -13.2145 -11.9865 -11.9865 -11.5253 -11.5253 -7.4572 -7.4572 -6.7092 -6.7092 -2.2993 -2.2993 -1.2738 -1.2738 -0.8358 -0.8358 5.8282 5.8282 6.2886 6.2886 6.6018 6.6018 6.9409 6.9409 7.3680 7.3680 7.4214 7.4214 12.4228 12.4228 13.3583 13.3583 14.5376 14.5376 15.4584 15.4584 k = 0.3868-0.6760-0.4087 ( 2492 PWs) bands (ev): -31.9490 -31.9490 -17.1548 -17.1548 -13.2224 -13.2224 -11.9913 -11.9913 -11.5247 -11.5247 -7.4719 -7.4719 -6.6915 -6.6915 -2.3239 -2.3239 -1.2811 -1.2811 -0.8410 -0.8410 5.8145 5.8145 6.3072 6.3072 6.6037 6.6037 6.9492 6.9492 7.3592 7.3592 7.4000 7.4000 12.4058 12.4058 13.3270 13.3270 14.5647 14.5647 15.5148 15.5148 k = 0.3962-0.6924-0.4186 ( 2494 PWs) bands (ev): -31.9475 -31.9475 -17.1497 -17.1497 -13.2299 -13.2299 -11.9957 -11.9957 -11.5239 -11.5239 -7.4857 -7.4857 -6.6749 -6.6749 -2.3469 -2.3469 -1.2879 -1.2879 -0.8459 -0.8459 5.8020 5.8020 6.3273 6.3273 6.6052 6.6052 6.9567 6.9567 7.3418 7.3418 7.3864 7.3864 12.3902 12.3902 13.2973 13.2973 14.5915 14.5915 15.5672 15.5672 k = 0.4057-0.7089-0.4286 ( 2494 PWs) bands (ev): -31.9462 -31.9462 -17.1450 -17.1450 -13.2370 -13.2370 -11.9997 -11.9997 -11.5231 -11.5231 -7.4987 -7.4987 -6.6594 -6.6594 -2.3683 -2.3683 -1.2940 -1.2940 -0.8503 -0.8503 5.7907 5.7907 6.3485 6.3485 6.6062 6.6062 6.9633 6.9633 7.3166 7.3166 7.3803 7.3803 12.3761 12.3761 13.2693 13.2693 14.6176 14.6176 15.6154 15.6154 k = 0.4151-0.7254-0.4386 ( 2496 PWs) bands (ev): -31.9450 -31.9450 -17.1407 -17.1407 -13.2435 -13.2435 -12.0033 -12.0033 -11.5222 -11.5222 -7.5107 -7.5107 -6.6452 -6.6452 -2.3880 -2.3880 -1.2997 -1.2997 -0.8544 -0.8544 5.7805 5.7805 6.3708 6.3708 6.6069 6.6069 6.9690 6.9690 7.2881 7.2881 7.3776 7.3776 12.3634 12.3634 13.2434 13.2434 14.6428 14.6428 15.6594 15.6594 k = 0.4245-0.7419-0.4485 ( 2498 PWs) bands (ev): -31.9439 -31.9439 -17.1368 -17.1368 -13.2495 -13.2495 -12.0065 -12.0065 -11.5213 -11.5213 -7.5216 -7.5216 -6.6322 -6.6322 -2.4060 -2.4060 -1.3047 -1.3047 -0.8580 -0.8580 5.7714 5.7714 6.3939 6.3939 6.6073 6.6073 6.9737 6.9737 7.2587 7.2587 7.3762 7.3762 12.3522 12.3522 13.2197 13.2197 14.6667 14.6667 15.6992 15.6992 k = 0.4340-0.7584-0.4585 ( 2496 PWs) bands (ev): -31.9429 -31.9429 -17.1333 -17.1333 -13.2549 -13.2549 -12.0093 -12.0093 -11.5204 -11.5204 -7.5314 -7.5314 -6.6207 -6.6207 -2.4220 -2.4220 -1.3092 -1.3092 -0.8612 -0.8612 5.7635 5.7635 6.4172 6.4172 6.6075 6.6075 6.9771 6.9771 7.2296 7.2296 7.3755 7.3755 12.3423 12.3423 13.1983 13.1983 14.6890 14.6890 15.7349 15.7349 k = 0.4434-0.7749-0.4685 ( 2495 PWs) bands (ev): -31.9420 -31.9420 -17.1303 -17.1303 -13.2596 -13.2596 -12.0117 -12.0117 -11.5196 -11.5196 -7.5400 -7.5400 -6.6105 -6.6105 -2.4360 -2.4360 -1.3131 -1.3131 -0.8641 -0.8641 5.7566 5.7566 6.4404 6.4404 6.6075 6.6075 6.9791 6.9791 7.2020 7.2020 7.3751 7.3751 12.3339 12.3339 13.1795 13.1795 14.7093 14.7093 15.7662 15.7662 k = 0.4528-0.7914-0.4784 ( 2497 PWs) bands (ev): -31.9413 -31.9413 -17.1277 -17.1277 -13.2637 -13.2637 -12.0137 -12.0137 -11.5189 -11.5189 -7.5474 -7.5474 -6.6018 -6.6018 -2.4481 -2.4481 -1.3164 -1.3164 -0.8665 -0.8665 5.7509 5.7509 6.4627 6.4627 6.6074 6.6074 6.9797 6.9797 7.1768 7.1768 7.3751 7.3751 12.3268 12.3268 13.1634 13.1634 14.7271 14.7271 15.7931 15.7931 k = 0.4623-0.8078-0.4884 ( 2497 PWs) bands (ev): -31.9407 -31.9407 -17.1256 -17.1256 -13.2670 -13.2670 -12.0154 -12.0154 -11.5183 -11.5183 -7.5535 -7.5535 -6.5947 -6.5947 -2.4580 -2.4580 -1.3191 -1.3191 -0.8684 -0.8684 5.7462 5.7462 6.4833 6.4833 6.6073 6.6073 6.9788 6.9788 7.1551 7.1551 7.3751 7.3751 12.3210 12.3210 13.1501 13.1501 14.7423 14.7423 15.8154 15.8154 k = 0.4717-0.8243-0.4984 ( 2497 PWs) bands (ev): -31.9402 -31.9402 -17.1239 -17.1239 -13.2697 -13.2697 -12.0167 -12.0167 -11.5177 -11.5177 -7.5583 -7.5583 -6.5891 -6.5891 -2.4657 -2.4657 -1.3212 -1.3212 -0.8700 -0.8700 5.7426 5.7426 6.5012 6.5012 6.6071 6.6071 6.9766 6.9766 7.1378 7.1378 7.3752 7.3752 12.3165 12.3165 13.1396 13.1396 14.7545 14.7545 15.8329 15.8329 k = 0.4811-0.8408-0.5083 ( 2495 PWs) bands (ev): -31.9399 -31.9399 -17.1227 -17.1227 -13.2716 -13.2716 -12.0176 -12.0176 -11.5174 -11.5174 -7.5617 -7.5617 -6.5851 -6.5851 -2.4713 -2.4713 -1.3227 -1.3227 -0.8711 -0.8711 5.7400 5.7400 6.5151 6.5151 6.6070 6.6070 6.9739 6.9739 7.1253 7.1253 7.3753 7.3753 12.3134 12.3134 13.1320 13.1320 14.7633 14.7633 15.8456 15.8456 k = 0.4906-0.8573-0.5183 ( 2498 PWs) bands (ev): -31.9397 -31.9397 -17.1220 -17.1220 -13.2727 -13.2727 -12.0182 -12.0182 -11.5171 -11.5171 -7.5638 -7.5638 -6.5826 -6.5826 -2.4747 -2.4747 -1.3236 -1.3236 -0.8718 -0.8718 5.7384 5.7384 6.5241 6.5241 6.6069 6.6069 6.9716 6.9716 7.1179 7.1179 7.3753 7.3753 12.3115 12.3115 13.1275 13.1275 14.7688 14.7688 15.8532 15.8532 k = 0.5000-0.8738-0.5283 ( 2498 PWs) bands (ev): -31.9396 -31.9396 -17.1217 -17.1217 -13.2731 -13.2731 -12.0183 -12.0183 -11.5170 -11.5170 -7.5645 -7.5645 -6.5818 -6.5818 -2.4758 -2.4758 -1.3240 -1.3240 -0.8720 -0.8720 5.7379 5.7379 6.5271 6.5271 6.6068 6.6068 6.9707 6.9707 7.1154 7.1154 7.3754 7.3754 12.3108 12.3108 13.1260 13.1260 14.7706 14.7706 15.8558 15.8558 k = 0.5000-0.8738-0.5283 ( 2498 PWs) bands (ev): -31.9396 -31.9396 -17.1217 -17.1217 -13.2731 -13.2731 -12.0183 -12.0183 -11.5170 -11.5170 -7.5645 -7.5645 -6.5818 -6.5818 -2.4758 -2.4758 -1.3240 -1.3240 -0.8720 -0.8720 5.7379 5.7379 6.5271 6.5271 6.6068 6.6068 6.9707 6.9707 7.1154 7.1154 7.3754 7.3754 12.3108 12.3108 13.1260 13.1260 14.7706 14.7706 15.8558 15.8558 k = 0.5000-0.8626-0.5467 ( 2498 PWs) bands (ev): -31.9396 -31.9396 -17.1216 -17.1216 -13.2730 -13.2730 -12.0183 -12.0183 -11.5177 -11.5177 -7.5635 -7.5635 -6.5825 -6.5825 -2.4754 -2.4754 -1.3243 -1.3243 -0.8728 -0.8728 5.7388 5.7388 6.5227 6.5227 6.6092 6.6092 6.9708 6.9708 7.1180 7.1180 7.3736 7.3736 12.3132 12.3132 13.1297 13.1297 14.7685 14.7685 15.8060 15.8060 k = 0.5000-0.8515-0.5652 ( 2494 PWs) bands (ev): -31.9395 -31.9395 -17.1214 -17.1214 -13.2726 -13.2726 -12.0182 -12.0182 -11.5196 -11.5196 -7.5607 -7.5607 -6.5846 -6.5846 -2.4741 -2.4741 -1.3252 -1.3252 -0.8753 -0.8753 5.7416 5.7416 6.5109 6.5109 6.6150 6.6150 6.9711 6.9711 7.1256 7.1256 7.3684 7.3684 12.3204 12.3204 13.1407 13.1407 14.7622 14.7622 15.7396 15.7396 k = 0.5000-0.8403-0.5836 ( 2490 PWs) bands (ev): -31.9394 -31.9394 -17.1210 -17.1210 -13.2720 -13.2720 -12.0180 -12.0180 -11.5228 -11.5228 -7.5559 -7.5559 -6.5880 -6.5880 -2.4721 -2.4721 -1.3268 -1.3268 -0.8795 -0.8795 5.7461 5.7461 6.4940 6.4940 6.6222 6.6222 6.9715 6.9715 7.1377 7.1377 7.3599 7.3599 12.3323 12.3323 13.1590 13.1590 14.7518 14.7518 15.6698 15.6698 k = 0.5000-0.8292-0.6020 ( 2492 PWs) bands (ev): -31.9392 -31.9392 -17.1204 -17.1204 -13.2711 -13.2711 -12.0178 -12.0178 -11.5272 -11.5272 -7.5493 -7.5493 -6.5928 -6.5928 -2.4692 -2.4692 -1.3292 -1.3292 -0.8851 -0.8851 5.7524 5.7524 6.4740 6.4740 6.6296 6.6296 6.9721 6.9721 7.1537 7.1537 7.3482 7.3482 12.3488 12.3488 13.1845 13.1845 14.7374 14.7374 15.5977 15.5977 k = 0.5000-0.8180-0.6205 ( 2490 PWs) bands (ev): -31.9390 -31.9390 -17.1197 -17.1197 -13.2700 -13.2700 -12.0174 -12.0174 -11.5328 -11.5328 -7.5410 -7.5410 -6.5989 -6.5989 -2.4655 -2.4655 -1.3322 -1.3322 -0.8922 -0.8922 5.7604 5.7604 6.4520 6.4520 6.6367 6.6367 6.9729 6.9729 7.1727 7.1727 7.3335 7.3335 12.3698 12.3698 13.2172 13.2172 14.7190 14.7190 15.5242 15.5242 k = 0.5000-0.8069-0.6389 ( 2490 PWs) bands (ev): -31.9388 -31.9388 -17.1188 -17.1188 -13.2686 -13.2686 -12.0171 -12.0171 -11.5395 -11.5395 -7.5308 -7.5308 -6.6063 -6.6063 -2.4611 -2.4611 -1.3362 -1.3362 -0.9005 -0.9005 5.7702 5.7702 6.4287 6.4287 6.6434 6.6434 6.9737 6.9737 7.1937 7.1937 7.3165 7.3165 12.3951 12.3951 13.2567 13.2567 14.6968 14.6968 15.4500 15.4500 k = 0.5000-0.7957-0.6574 ( 2488 PWs) bands (ev): -31.9385 -31.9385 -17.1178 -17.1178 -13.2671 -13.2671 -12.0167 -12.0167 -11.5471 -11.5471 -7.5190 -7.5190 -6.6150 -6.6150 -2.4559 -2.4559 -1.3410 -1.3410 -0.9098 -0.9098 5.7816 5.7816 6.4047 6.4047 6.6497 6.6497 6.9746 6.9746 7.2148 7.2148 7.2982 7.2982 12.4246 12.4246 13.3031 13.3031 14.6710 14.6710 15.3754 15.3754 k = 0.5000-0.7846-0.6758 ( 2488 PWs) bands (ev): -31.9382 -31.9382 -17.1167 -17.1167 -13.2654 -13.2654 -12.0163 -12.0163 -11.5556 -11.5556 -7.5056 -7.5056 -6.6249 -6.6249 -2.4500 -2.4500 -1.3469 -1.3469 -0.9200 -0.9200 5.7945 5.7945 6.3806 6.3806 6.6558 6.6558 6.9754 6.9754 7.2312 7.2312 7.2833 7.2833 12.4580 12.4580 13.3560 13.3560 14.6416 14.6416 15.3012 15.3012 k = 0.5000-0.7734-0.6943 ( 2478 PWs) bands (ev): -31.9378 -31.9378 -17.1154 -17.1154 -13.2635 -13.2635 -12.0159 -12.0159 -11.5649 -11.5649 -7.4907 -7.4907 -6.6360 -6.6360 -2.4434 -2.4434 -1.3539 -1.3539 -0.9307 -0.9307 5.8090 5.8090 6.3566 6.3566 6.6617 6.6617 6.9762 6.9762 7.2282 7.2282 7.2862 7.2862 12.4951 12.4951 13.4153 13.4153 14.6091 14.6091 15.2275 15.2275 k = 0.5000-0.7623-0.7127 ( 2482 PWs) bands (ev): -31.9374 -31.9374 -17.1141 -17.1141 -13.2615 -13.2615 -12.0155 -12.0155 -11.5748 -11.5748 -7.4744 -7.4744 -6.6482 -6.6482 -2.4361 -2.4361 -1.3621 -1.3621 -0.9418 -0.9418 5.8248 5.8248 6.3332 6.3332 6.6676 6.6676 6.9766 6.9766 7.2074 7.2074 7.3049 7.3049 12.5357 12.5357 13.4806 13.4806 14.5735 14.5735 15.1549 15.1549 k = 0.5000-0.7511-0.7312 ( 2490 PWs) bands (ev): -31.9370 -31.9370 -17.1126 -17.1126 -13.2594 -13.2594 -12.0151 -12.0151 -11.5853 -11.5853 -7.4569 -7.4569 -6.6615 -6.6615 -2.4283 -2.4283 -1.3716 -1.3716 -0.9529 -0.9529 5.8420 5.8420 6.3104 6.3104 6.6736 6.6736 6.9765 6.9765 7.1810 7.1810 7.3274 7.3274 12.5795 12.5795 13.5516 13.5516 14.5350 14.5350 15.0834 15.0834 k = 0.5000-0.7400-0.7496 ( 2490 PWs) bands (ev): -31.9366 -31.9366 -17.1111 -17.1111 -13.2572 -13.2572 -12.0149 -12.0149 -11.5961 -11.5961 -7.4381 -7.4381 -6.6758 -6.6758 -2.4200 -2.4200 -1.3824 -1.3824 -0.9640 -0.9640 5.8604 5.8604 6.2887 6.2887 6.6797 6.6797 6.9755 6.9755 7.1527 7.1527 7.3502 7.3502 12.6263 12.6263 13.6280 13.6280 14.4942 14.4942 15.0134 15.0134 k = 0.5000-0.7288-0.7680 ( 2488 PWs) bands (ev): -31.9361 -31.9361 -17.1094 -17.1094 -13.2550 -13.2550 -12.0146 -12.0146 -11.6071 -11.6071 -7.4183 -7.4183 -6.6911 -6.6911 -2.4112 -2.4112 -1.3946 -1.3946 -0.9746 -0.9746 5.8799 5.8799 6.2680 6.2680 6.6860 6.6860 6.9732 6.9732 7.1241 7.1241 7.3720 7.3720 12.6758 12.6758 13.7093 13.7093 14.4511 14.4511 14.9449 14.9449 k = 0.5000-0.7177-0.7865 ( 2494 PWs) bands (ev): -31.9356 -31.9356 -17.1077 -17.1077 -13.2527 -13.2527 -12.0145 -12.0145 -11.6182 -11.6182 -7.3976 -7.3976 -6.7073 -6.7073 -2.4019 -2.4019 -1.4081 -1.4081 -0.9848 -0.9848 5.9003 5.9003 6.2486 6.2486 6.6927 6.6927 6.9683 6.9683 7.0966 7.0966 7.3924 7.3924 12.7277 12.7277 13.7952 13.7952 14.4061 14.4061 14.8782 14.8782 k = 0.5000-0.7065-0.8049 ( 2496 PWs) bands (ev): -31.9352 -31.9352 -17.1060 -17.1060 -13.2504 -13.2504 -12.0145 -12.0145 -11.6292 -11.6292 -7.3760 -7.3760 -6.7242 -6.7242 -2.3924 -2.3924 -1.4229 -1.4229 -0.9942 -0.9942 5.9217 5.9217 6.2306 6.2306 6.6996 6.6996 6.9595 6.9595 7.0720 7.0720 7.4109 7.4109 12.7818 12.7818 13.8850 13.8850 14.3597 14.3597 14.8132 14.8132 k = 0.5000-0.6954-0.8234 ( 2488 PWs) bands (ev): -31.9347 -31.9347 -17.1043 -17.1043 -13.2482 -13.2482 -12.0147 -12.0147 -11.6400 -11.6400 -7.3538 -7.3538 -6.7419 -6.7419 -2.3827 -2.3827 -1.4388 -1.4388 -1.0028 -1.0028 5.9438 5.9438 6.2140 6.2140 6.7069 6.7069 6.9449 6.9449 7.0526 7.0526 7.4274 7.4274 12.8378 12.8378 13.9783 13.9783 14.3121 14.3121 14.7502 14.7502 k = 0.5000-0.6842-0.8418 ( 2492 PWs) bands (ev): -31.9342 -31.9342 -17.1025 -17.1025 -13.2461 -13.2461 -12.0150 -12.0150 -11.6505 -11.6505 -7.3310 -7.3310 -6.7603 -6.7603 -2.3728 -2.3728 -1.4556 -1.4556 -1.0107 -1.0107 5.9665 5.9665 6.1990 6.1990 6.7145 6.7145 6.9239 6.9239 7.0392 7.0392 7.4415 7.4415 12.8952 12.8952 14.0742 14.0742 14.2639 14.2639 14.6891 14.6891 k = 0.5000-0.6731-0.8603 ( 2492 PWs) bands (ev): -31.9337 -31.9337 -17.1008 -17.1008 -13.2440 -13.2440 -12.0154 -12.0154 -11.6605 -11.6605 -7.3078 -7.3078 -6.7792 -6.7792 -2.3629 -2.3629 -1.4731 -1.4731 -1.0176 -1.0176 5.9896 5.9896 6.1856 6.1856 6.7225 6.7225 6.8978 6.8978 7.0306 7.0306 7.4532 7.4532 12.9539 12.9539 14.1707 14.1707 14.2166 14.2166 14.6304 14.6304 k = 0.5000-0.6619-0.8787 ( 2498 PWs) bands (ev): -31.9332 -31.9332 -17.0990 -17.0990 -13.2421 -13.2421 -12.0161 -12.0161 -11.6699 -11.6699 -7.2843 -7.2843 -6.7985 -6.7985 -2.3531 -2.3531 -1.4910 -1.4910 -1.0237 -1.0237 6.0131 6.0131 6.1737 6.1737 6.7309 6.7309 6.8686 6.8686 7.0252 7.0252 7.4622 7.4622 13.0132 13.0132 14.1660 14.1660 14.2709 14.2709 14.5752 14.5752 k = 0.5000-0.6508-0.8971 ( 2494 PWs) bands (ev): -31.9327 -31.9327 -17.0974 -17.0974 -13.2403 -13.2403 -12.0168 -12.0168 -11.6787 -11.6787 -7.2606 -7.2606 -6.8182 -6.8182 -2.3435 -2.3435 -1.5090 -1.5090 -1.0291 -1.0291 6.0367 6.0367 6.1635 6.1635 6.7393 6.7393 6.8383 6.8383 7.0214 7.0214 7.4686 7.4686 13.0725 13.0725 14.1192 14.1192 14.3618 14.3618 14.5294 14.5294 k = 0.5000-0.6396-0.9156 ( 2498 PWs) bands (ev): -31.9323 -31.9323 -17.0958 -17.0958 -13.2387 -13.2387 -12.0177 -12.0177 -11.6866 -11.6866 -7.2370 -7.2370 -6.8382 -6.8382 -2.3343 -2.3343 -1.5268 -1.5268 -1.0337 -1.0337 6.0602 6.0602 6.1550 6.1550 6.7472 6.7472 6.8086 6.8086 7.0184 7.0184 7.4723 7.4723 13.1311 13.1311 14.0742 14.0742 14.4077 14.4077 14.5310 14.5310 k = 0.5000-0.6285-0.9340 ( 2498 PWs) bands (ev): -31.9319 -31.9319 -17.0942 -17.0942 -13.2373 -13.2373 -12.0188 -12.0188 -11.6938 -11.6938 -7.2134 -7.2134 -6.8582 -6.8582 -2.3256 -2.3256 -1.5440 -1.5440 -1.0376 -1.0376 6.0835 6.0835 6.1483 6.1483 6.7502 6.7502 6.7845 6.7845 7.0157 7.0157 7.4733 7.4733 13.1879 13.1879 14.0323 14.0323 14.3782 14.3782 14.6095 14.6095 k = 0.5000-0.6173-0.9525 ( 2504 PWs) bands (ev): -31.9315 -31.9315 -17.0928 -17.0928 -13.2361 -13.2361 -12.0199 -12.0199 -11.7001 -11.7001 -7.1902 -7.1902 -6.8783 -6.8783 -2.3176 -2.3176 -1.5602 -1.5602 -1.0409 -1.0409 6.1059 6.1059 6.1436 6.1436 6.7348 6.7348 6.7802 6.7802 7.0129 7.0129 7.4717 7.4717 13.2411 13.2411 13.9953 13.9953 14.3303 14.3303 14.7070 14.7070 k = 0.5000-0.6062-0.9709 ( 2506 PWs) bands (ev): -31.9311 -31.9311 -17.0915 -17.0915 -13.2351 -13.2351 -12.0210 -12.0210 -11.7055 -11.7055 -7.1675 -7.1675 -6.8982 -6.8982 -2.3104 -2.3104 -1.5751 -1.5751 -1.0437 -1.0437 6.1250 6.1250 6.1433 6.1433 6.7087 6.7087 6.7883 6.7883 7.0099 7.0099 7.4674 7.4674 13.2886 13.2886 13.9656 13.9656 14.2797 14.2797 14.8074 14.8074 k = 0.5000-0.5950-0.9894 ( 2506 PWs) bands (ev): -31.9308 -31.9308 -17.0904 -17.0904 -13.2343 -13.2343 -12.0222 -12.0222 -11.7100 -11.7100 -7.1455 -7.1455 -6.9176 -6.9176 -2.3042 -2.3042 -1.5885 -1.5885 -1.0460 -1.0460 6.1318 6.1318 6.1559 6.1559 6.6818 6.6818 6.7993 6.7993 7.0065 7.0065 7.4607 7.4607 13.3274 13.3274 13.9462 13.9462 14.2288 14.2288 14.9076 14.9076 k = 0.5000-0.5839-1.0078 ( 2508 PWs) bands (ev): -31.9305 -31.9305 -17.0894 -17.0894 -13.2337 -13.2337 -12.0232 -12.0232 -11.7136 -11.7136 -7.1246 -7.1246 -6.9364 -6.9364 -2.2990 -2.2990 -1.5999 -1.5999 -1.0479 -1.0479 6.1324 6.1324 6.1752 6.1752 6.6561 6.6561 6.8115 6.8115 7.0025 7.0025 7.4516 7.4516 13.3542 13.3542 13.9402 13.9402 14.1782 14.1782 15.0064 15.0064 k = 0.5000-0.5727-1.0263 ( 2504 PWs) bands (ev): -31.9303 -31.9303 -17.0886 -17.0886 -13.2332 -13.2332 -12.0241 -12.0241 -11.7163 -11.7163 -7.1053 -7.1053 -6.9539 -6.9539 -2.2949 -2.2949 -1.6093 -1.6093 -1.0493 -1.0493 6.1333 6.1333 6.1943 6.1943 6.6324 6.6324 6.8245 6.8245 6.9980 6.9980 7.4404 7.4404 13.3668 13.3668 13.9500 13.9500 14.1284 14.1284 15.1030 15.1030 k = 0.5000-0.5616-1.0447 ( 2504 PWs) bands (ev): -31.9301 -31.9301 -17.0880 -17.0880 -13.2329 -13.2329 -12.0249 -12.0249 -11.7183 -11.7183 -7.0885 -7.0885 -6.9692 -6.9692 -2.2920 -2.2920 -1.6163 -1.6163 -1.0504 -1.0504 6.1352 6.1352 6.2120 6.2120 6.6111 6.6111 6.8382 6.8382 6.9929 6.9929 7.4272 7.4272 13.3648 13.3648 13.9747 13.9747 14.0803 14.0803 15.1969 15.1969 k = 0.5000-0.5504-1.0631 ( 2502 PWs) bands (ev): -31.9300 -31.9300 -17.0876 -17.0876 -13.2328 -13.2328 -12.0254 -12.0254 -11.7194 -11.7194 -7.0760 -7.0760 -6.9805 -6.9805 -2.2902 -2.2902 -1.6208 -1.6208 -1.0511 -1.0511 6.1382 6.1382 6.2277 6.2277 6.5927 6.5927 6.8525 6.8525 6.9872 6.9872 7.4124 7.4124 13.3503 13.3503 14.0008 14.0008 14.0456 14.0456 15.2876 15.2876 k = 0.5000-0.5393-1.0816 ( 2510 PWs) bands (ev): -31.9300 -31.9300 -17.0874 -17.0874 -13.2328 -13.2328 -12.0257 -12.0257 -11.7199 -11.7199 -7.0706 -7.0706 -6.9852 -6.9852 -2.2896 -2.2896 -1.6229 -1.6229 -1.0516 -1.0516 6.1422 6.1422 6.2409 6.2409 6.5777 6.5777 6.8673 6.8673 6.9808 6.9808 7.3961 7.3961 13.3264 13.3264 13.9717 13.9717 14.0778 14.0778 15.3743 15.3743 k = 0.5000-0.5281-1.1000 ( 2506 PWs) bands (ev): -31.9300 -31.9300 -17.0875 -17.0875 -13.2329 -13.2329 -12.0256 -12.0256 -11.7196 -11.7196 -7.0736 -7.0736 -6.9819 -6.9819 -2.2899 -2.2899 -1.6224 -1.6224 -1.0516 -1.0516 6.1471 6.1471 6.2512 6.2512 6.5665 6.5665 6.8826 6.8826 6.9738 6.9738 7.3787 7.3787 13.2961 13.2961 13.9255 13.9255 14.1355 14.1355 15.4567 15.4567 k = 0.5000-0.5170-1.1185 ( 2504 PWs) bands (ev): -31.9301 -31.9301 -17.0879 -17.0879 -13.2330 -13.2330 -12.0252 -12.0252 -11.7187 -11.7187 -7.0828 -7.0828 -6.9727 -6.9727 -2.2911 -2.2911 -1.6195 -1.6195 -1.0514 -1.0514 6.1530 6.1530 6.2582 6.2582 6.5594 6.5594 6.8981 6.8981 6.9662 6.9662 7.3605 7.3605 13.2619 13.2619 13.8781 13.8781 14.2004 14.2004 15.5341 15.5341 k = 0.5000-0.5058-1.1369 ( 2508 PWs) bands (ev): -31.9303 -31.9303 -17.0885 -17.0885 -13.2331 -13.2331 -12.0245 -12.0245 -11.7173 -11.7173 -7.0951 -7.0951 -6.9609 -6.9609 -2.2928 -2.2928 -1.6143 -1.6143 -1.0509 -1.0509 6.1595 6.1595 6.2618 6.2618 6.5564 6.5564 6.9138 6.9138 6.9580 6.9580 7.3421 7.3421 13.2254 13.2254 13.8308 13.8308 14.2692 14.2692 15.6056 15.6056 k = 0.8172-0.4215-0.9762 ( 2508 PWs) bands (ev): -31.9303 -31.9303 -17.0885 -17.0885 -13.2331 -13.2331 -12.0245 -12.0245 -11.7173 -11.7173 -7.0951 -7.0951 -6.9609 -6.9609 -2.2928 -2.2928 -1.6143 -1.6143 -1.0509 -1.0509 6.1595 6.1595 6.2618 6.2618 6.5564 6.5564 6.9138 6.9138 6.9580 6.9580 7.3421 7.3421 13.2254 13.2254 13.8308 13.8308 14.2692 14.2692 15.6056 15.6056 k = 0.8118-0.4119-0.9580 ( 2502 PWs) bands (ev): -31.9306 -31.9306 -17.0894 -17.0894 -13.2332 -13.2332 -12.0233 -12.0233 -11.7153 -11.7153 -7.1082 -7.1082 -6.9485 -6.9485 -2.2949 -2.2949 -1.6071 -1.6071 -1.0500 -1.0500 6.1665 6.1665 6.2621 6.2621 6.5575 6.5575 6.9288 6.9288 6.9497 6.9497 7.3241 7.3241 13.1884 13.1884 13.7846 13.7846 14.3396 14.3396 15.6698 15.6698 k = 0.8063-0.4024-0.9397 ( 2508 PWs) bands (ev): -31.9309 -31.9309 -17.0906 -17.0906 -13.2332 -13.2332 -12.0219 -12.0219 -11.7129 -11.7129 -7.1215 -7.1215 -6.9363 -6.9363 -2.2972 -2.2972 -1.5979 -1.5979 -1.0487 -1.0487 6.1738 6.1738 6.2597 6.2597 6.5620 6.5620 6.9378 6.9378 6.9466 6.9466 7.3069 7.3069 13.1512 13.1512 13.7388 13.7388 14.4110 14.4110 15.7264 15.7264 k = 0.8008-0.3928-0.9215 ( 2506 PWs) bands (ev): -31.9313 -31.9313 -17.0921 -17.0921 -13.2330 -13.2330 -12.0200 -12.0200 -11.7100 -11.7100 -7.1345 -7.1345 -6.9249 -6.9249 -2.2993 -2.2993 -1.5871 -1.5871 -1.0471 -1.0471 6.1814 6.1814 6.2549 6.2549 6.5695 6.5695 6.9298 6.9298 6.9593 6.9593 7.2912 7.2912 13.1146 13.1146 13.6936 13.6936 14.4826 14.4826 15.7744 15.7744 k = 0.7954-0.3832-0.9033 ( 2504 PWs) bands (ev): -31.9318 -31.9318 -17.0939 -17.0939 -13.2326 -13.2326 -12.0178 -12.0178 -11.7068 -11.7068 -7.1468 -7.1468 -6.9145 -6.9145 -2.3011 -2.3011 -1.5747 -1.5747 -1.0452 -1.0452 6.1889 6.1889 6.2485 6.2485 6.5792 6.5792 6.9201 6.9201 6.9719 6.9719 7.2778 7.2778 13.0789 13.0789 13.6490 13.6490 14.5536 14.5536 15.8127 15.8127 k = 0.7899-0.3737-0.8851 ( 2506 PWs) bands (ev): -31.9324 -31.9324 -17.0961 -17.0961 -13.2320 -13.2320 -12.0153 -12.0153 -11.7031 -11.7031 -7.1582 -7.1582 -6.9053 -6.9053 -2.3024 -2.3024 -1.5609 -1.5609 -1.0427 -1.0427 6.1962 6.1962 6.2408 6.2408 6.5905 6.5905 6.9101 6.9101 6.9828 6.9828 7.2676 7.2676 13.0445 13.0445 13.6052 13.6052 14.6234 14.6234 15.8405 15.8405 k = 0.7844-0.3641-0.8669 ( 2506 PWs) bands (ev): -31.9331 -31.9331 -17.0986 -17.0986 -13.2312 -13.2312 -12.0125 -12.0125 -11.6992 -11.6992 -7.1687 -7.1687 -6.8973 -6.8973 -2.3029 -2.3029 -1.5460 -1.5460 -1.0399 -1.0399 6.2028 6.2028 6.2326 6.2326 6.6030 6.6030 6.8999 6.8999 6.9911 6.9911 7.2616 7.2616 13.0117 13.0117 13.5621 13.5621 14.6912 14.6912 15.8569 15.8569 k = 0.7790-0.3546-0.8487 ( 2508 PWs) bands (ev): -31.9339 -31.9339 -17.1014 -17.1014 -13.2300 -13.2300 -12.0094 -12.0094 -11.6949 -11.6949 -7.1781 -7.1781 -6.8908 -6.8908 -2.3025 -2.3025 -1.5302 -1.5302 -1.0366 -1.0366 6.2079 6.2079 6.2248 6.2248 6.6161 6.6161 6.8898 6.8898 6.9965 6.9965 7.2604 7.2604 12.9808 12.9808 13.5199 13.5199 14.7566 14.7566 15.8617 15.8617 k = 0.7735-0.3450-0.8304 ( 2508 PWs) bands (ev): -31.9348 -31.9348 -17.1045 -17.1045 -13.2285 -13.2285 -12.0060 -12.0060 -11.6903 -11.6903 -7.1864 -7.1864 -6.8858 -6.8858 -2.3010 -2.3010 -1.5135 -1.5135 -1.0327 -1.0327 6.2081 6.2081 6.2207 6.2207 6.6293 6.6293 6.8801 6.8801 6.9989 6.9989 7.2643 7.2643 12.9519 12.9519 13.4786 13.4786 14.8189 14.8189 15.8550 15.8550 k = 0.7680-0.3354-0.8122 ( 2510 PWs) bands (ev): -31.9358 -31.9358 -17.1080 -17.1080 -13.2267 -13.2267 -12.0023 -12.0023 -11.6855 -11.6855 -7.1935 -7.1935 -6.8823 -6.8823 -2.2982 -2.2982 -1.4962 -1.4962 -1.0284 -1.0284 6.2013 6.2013 6.2224 6.2224 6.6424 6.6424 6.8709 6.8709 6.9987 6.9987 7.2732 7.2732 12.9253 12.9253 13.4383 13.4383 14.8776 14.8776 15.8374 15.8374 k = 0.7625-0.3259-0.7940 ( 2504 PWs) bands (ev): -31.9368 -31.9368 -17.1118 -17.1118 -13.2244 -13.2244 -11.9985 -11.9985 -11.6804 -11.6804 -7.1993 -7.1993 -6.8804 -6.8804 -2.2942 -2.2942 -1.4784 -1.4784 -1.0234 -1.0234 6.1925 6.1925 6.2247 6.2247 6.6548 6.6548 6.8626 6.8626 6.9969 6.9969 7.2865 7.2865 12.9010 12.9010 13.3991 13.3991 14.9324 14.9324 15.8098 15.8098 k = 0.7571-0.3163-0.7758 ( 2502 PWs) bands (ev): -31.9380 -31.9380 -17.1159 -17.1159 -13.2217 -13.2217 -11.9944 -11.9944 -11.6751 -11.6751 -7.2039 -7.2039 -6.8800 -6.8800 -2.2886 -2.2886 -1.4602 -1.4602 -1.0179 -1.0179 6.1833 6.1833 6.2259 6.2259 6.6659 6.6659 6.8557 6.8557 6.9944 6.9944 7.3034 7.3034 12.8792 12.8792 13.3610 13.3610 14.9828 14.9828 15.7731 15.7731 k = 0.7516-0.3068-0.7576 ( 2500 PWs) bands (ev): -31.9392 -31.9392 -17.1204 -17.1204 -13.2185 -13.2185 -11.9901 -11.9901 -11.6695 -11.6695 -7.2072 -7.2072 -6.8813 -6.8813 -2.2816 -2.2816 -1.4417 -1.4417 -1.0118 -1.0118 6.1742 6.1742 6.2254 6.2254 6.6753 6.6753 6.8509 6.8509 6.9920 6.9920 7.3232 7.3232 12.8599 12.8599 13.3241 13.3241 15.0284 15.0284 15.7284 15.7284 k = 0.7461-0.2972-0.7394 ( 2506 PWs) bands (ev): -31.9406 -31.9406 -17.1252 -17.1252 -13.2149 -13.2149 -11.9857 -11.9857 -11.6638 -11.6638 -7.2092 -7.2092 -6.8842 -6.8842 -2.2730 -2.2730 -1.4231 -1.4231 -1.0050 -1.0050 6.1650 6.1650 6.2232 6.2232 6.6822 6.6822 6.8487 6.8487 6.9907 6.9907 7.3451 7.3451 12.8434 12.8434 13.2884 13.2884 15.0691 15.0691 15.6767 15.6767 k = 0.7407-0.2876-0.7211 ( 2508 PWs) bands (ev): -31.9420 -31.9420 -17.1303 -17.1303 -13.2109 -13.2109 -11.9812 -11.9812 -11.6579 -11.6579 -7.2098 -7.2098 -6.8887 -6.8887 -2.2629 -2.2629 -1.4044 -1.4044 -0.9976 -0.9976 6.1560 6.1560 6.2191 6.2191 6.6861 6.6861 6.8497 6.8497 6.9909 6.9909 7.3686 7.3686 12.8295 12.8295 13.2541 13.2541 15.1046 15.1046 15.6192 15.6192 k = 0.7352-0.2781-0.7029 ( 2502 PWs) bands (ev): -31.9435 -31.9435 -17.1357 -17.1357 -13.2064 -13.2064 -11.9764 -11.9764 -11.6518 -11.6518 -7.2092 -7.2092 -6.8948 -6.8948 -2.2511 -2.2511 -1.3857 -1.3857 -0.9895 -0.9895 6.1472 6.1472 6.2131 6.2131 6.6867 6.6867 6.8542 6.8542 6.9932 6.9932 7.3933 7.3933 12.8185 12.8185 13.2212 13.2212 15.1349 15.1349 15.5567 15.5567 k = 0.7297-0.2685-0.6847 ( 2498 PWs) bands (ev): -31.9452 -31.9452 -17.1414 -17.1414 -13.2015 -13.2015 -11.9715 -11.9715 -11.6455 -11.6455 -7.2072 -7.2072 -6.9026 -6.9026 -2.2377 -2.2377 -1.3672 -1.3672 -0.9808 -0.9808 6.1385 6.1385 6.2052 6.2052 6.6842 6.6842 6.8621 6.8621 6.9976 6.9976 7.4187 7.4187 12.8103 12.8103 13.1898 13.1898 15.1598 15.1598 15.4900 15.4900 k = 0.7243-0.2590-0.6665 ( 2494 PWs) bands (ev): -31.9468 -31.9468 -17.1474 -17.1474 -13.1961 -13.1961 -11.9665 -11.9665 -11.6391 -11.6391 -7.2040 -7.2040 -6.9119 -6.9119 -2.2227 -2.2227 -1.3487 -1.3487 -0.9713 -0.9713 6.1300 6.1300 6.1957 6.1957 6.6790 6.6790 6.8728 6.8728 7.0042 7.0042 7.4446 7.4446 12.8050 12.8050 13.1600 13.1600 15.1794 15.1794 15.4200 15.4200 k = 0.7188-0.2494-0.6483 ( 2492 PWs) bands (ev): -31.9486 -31.9486 -17.1537 -17.1537 -13.1904 -13.1904 -11.9612 -11.9612 -11.6324 -11.6324 -7.1996 -7.1996 -6.9227 -6.9227 -2.2062 -2.2062 -1.3304 -1.3304 -0.9612 -0.9612 6.1216 6.1216 6.1847 6.1847 6.6717 6.6717 6.8860 6.8860 7.0132 7.0132 7.4705 7.4705 12.8025 12.8025 13.1318 13.1318 15.1937 15.1937 15.3472 15.3472 k = 0.7133-0.2399-0.6301 ( 2488 PWs) bands (ev): -31.9504 -31.9504 -17.1602 -17.1602 -13.1842 -13.1842 -11.9558 -11.9558 -11.6257 -11.6257 -7.1940 -7.1940 -6.9349 -6.9349 -2.1882 -2.1882 -1.3124 -1.3124 -0.9504 -0.9504 6.1133 6.1133 6.1725 6.1725 6.6629 6.6629 6.9010 6.9010 7.0243 7.0243 7.4963 7.4963 12.8030 12.8030 13.1053 13.1053 15.2026 15.2026 15.2724 15.2724 k = 0.7078-0.2303-0.6118 ( 2486 PWs) bands (ev): -31.9524 -31.9524 -17.1670 -17.1670 -13.1778 -13.1778 -11.9503 -11.9503 -11.6187 -11.6187 -7.1873 -7.1873 -6.9486 -6.9486 -2.1687 -2.1687 -1.2945 -1.2945 -0.9389 -0.9389 6.1053 6.1053 6.1593 6.1593 6.6529 6.6529 6.9175 6.9175 7.0373 7.0373 7.5217 7.5217 12.8063 12.8063 13.0806 13.0806 15.1943 15.1943 15.2078 15.2078 k = 0.7024-0.2207-0.5936 ( 2486 PWs) bands (ev): -31.9543 -31.9543 -17.1739 -17.1739 -13.1710 -13.1710 -11.9445 -11.9445 -11.6116 -11.6116 -7.1796 -7.1796 -6.9635 -6.9635 -2.1479 -2.1479 -1.2769 -1.2769 -0.9268 -0.9268 6.0973 6.0973 6.1454 6.1454 6.6421 6.6421 6.9352 6.9352 7.0522 7.0522 7.5465 7.5465 12.8125 12.8125 13.0577 13.0577 15.1179 15.1179 15.2051 15.2051 k = 0.6969-0.2112-0.5754 ( 2486 PWs) bands (ev): -31.9564 -31.9564 -17.1811 -17.1811 -13.1640 -13.1640 -11.9385 -11.9385 -11.6044 -11.6044 -7.1711 -7.1711 -6.9796 -6.9796 -2.1258 -2.1258 -1.2595 -1.2595 -0.9141 -0.9141 6.0895 6.0895 6.1312 6.1312 6.6308 6.6308 6.9538 6.9538 7.0687 7.0687 7.5703 7.5703 12.8215 12.8215 13.0367 13.0367 15.0398 15.0398 15.1981 15.1981 k = 0.6914-0.2016-0.5572 ( 2484 PWs) bands (ev): -31.9585 -31.9585 -17.1885 -17.1885 -13.1567 -13.1567 -11.9322 -11.9322 -11.5969 -11.5969 -7.1619 -7.1619 -6.9966 -6.9966 -2.1027 -2.1027 -1.2423 -1.2423 -0.9009 -0.9009 6.0818 6.0818 6.1169 6.1169 6.6190 6.6190 6.9732 6.9732 7.0865 7.0865 7.5931 7.5931 12.8332 12.8332 13.0177 13.0177 14.9614 14.9614 15.1857 15.1857 k = 0.6860-0.1921-0.5390 ( 2482 PWs) bands (ev): -31.9606 -31.9606 -17.1960 -17.1960 -13.1493 -13.1493 -11.9258 -11.9258 -11.5893 -11.5893 -7.1526 -7.1526 -7.0140 -7.0140 -2.0785 -2.0785 -1.2252 -1.2252 -0.8871 -0.8871 6.0742 6.0742 6.1027 6.1027 6.6069 6.6069 6.9933 6.9933 7.1055 7.1055 7.6145 7.6145 12.8474 12.8474 13.0008 13.0008 14.8832 14.8832 15.1677 15.1677 k = 0.6805-0.1825-0.5208 ( 2482 PWs) bands (ev): -31.9628 -31.9628 -17.2037 -17.2037 -13.1418 -13.1418 -11.9190 -11.9190 -11.5815 -11.5815 -7.1440 -7.1440 -7.0310 -7.0310 -2.0535 -2.0535 -1.2082 -1.2082 -0.8729 -0.8729 6.0665 6.0665 6.0891 6.0891 6.5946 6.5946 7.0140 7.0140 7.1255 7.1255 7.6344 7.6344 12.8642 12.8642 12.9862 12.9862 14.8055 14.8055 15.1441 15.1441 k = 0.6750-0.1729-0.5025 ( 2482 PWs) bands (ev): -31.9650 -31.9650 -17.2115 -17.2115 -13.1343 -13.1343 -11.9120 -11.9120 -11.5735 -11.5735 -7.1377 -7.1377 -7.0459 -7.0459 -2.0277 -2.0277 -1.1912 -1.1912 -0.8583 -0.8583 6.0587 6.0587 6.0763 6.0763 6.5822 6.5822 7.0352 7.0352 7.1462 7.1462 7.6525 7.6525 12.8831 12.8831 12.9739 12.9739 14.7287 14.7287 15.1149 15.1149 k = 0.6696-0.1634-0.4843 ( 2478 PWs) bands (ev): -31.9673 -31.9673 -17.2194 -17.2194 -13.1267 -13.1267 -11.9047 -11.9047 -11.5653 -11.5653 -7.1370 -7.1370 -7.0555 -7.0555 -2.0015 -2.0015 -1.1741 -1.1741 -0.8433 -0.8433 6.0505 6.0505 6.0648 6.0648 6.5697 6.5697 7.0569 7.0569 7.1675 7.1675 7.6687 7.6687 12.9035 12.9035 12.9647 12.9647 14.6530 14.6530 15.0800 15.0800 k = 0.6641-0.1538-0.4661 ( 2478 PWs) bands (ev): -31.9695 -31.9695 -17.2274 -17.2274 -13.1191 -13.1191 -11.8971 -11.8971 -11.5569 -11.5569 -7.1452 -7.1452 -7.0565 -7.0565 -1.9749 -1.9749 -1.1570 -1.1570 -0.8280 -0.8280 6.0417 6.0417 6.0549 6.0549 6.5572 6.5572 7.0790 7.0790 7.1892 7.1892 7.6827 7.6827 12.9230 12.9230 12.9608 12.9608 14.5787 14.5787 15.0398 15.0398 k = 0.6586-0.1443-0.4479 ( 2480 PWs) bands (ev): -31.9718 -31.9718 -17.2354 -17.2354 -13.1117 -13.1117 -11.8893 -11.8893 -11.5482 -11.5482 -7.1615 -7.1615 -7.0496 -7.0496 -1.9481 -1.9481 -1.1396 -1.1396 -0.8124 -0.8124 6.0327 6.0327 6.0465 6.0465 6.5447 6.5447 7.1016 7.1016 7.2111 7.2111 7.6944 7.6944 12.9338 12.9338 12.9700 12.9700 14.5060 14.5060 14.9947 14.9947 k = 0.6532-0.1347-0.4297 ( 2480 PWs) bands (ev): -31.9742 -31.9742 -17.2435 -17.2435 -13.1044 -13.1044 -11.8812 -11.8812 -11.5393 -11.5393 -7.1828 -7.1828 -7.0381 -7.0381 -1.9214 -1.9214 -1.1220 -1.1220 -0.7966 -0.7966 6.0240 6.0240 6.0391 6.0391 6.5322 6.5322 7.1245 7.1245 7.2330 7.2330 7.7037 7.7037 12.9349 12.9349 12.9929 12.9929 14.4351 14.4351 14.9451 14.9451 k = 0.6477-0.1251-0.4115 ( 2476 PWs) bands (ev): -31.9765 -31.9765 -17.2515 -17.2515 -13.0973 -13.0973 -11.8729 -11.8729 -11.5300 -11.5300 -7.2068 -7.2068 -7.0240 -7.0240 -1.8949 -1.8949 -1.1040 -1.1040 -0.7806 -0.7806 6.0162 6.0162 6.0324 6.0324 6.5198 6.5198 7.1478 7.1478 7.2549 7.2549 7.7103 7.7103 12.9347 12.9347 13.0213 13.0213 14.3663 14.3663 14.8920 14.8920 k = 0.6422-0.1156-0.3933 ( 2476 PWs) bands (ev): -31.9788 -31.9788 -17.2595 -17.2595 -13.0905 -13.0905 -11.8644 -11.8644 -11.5205 -11.5205 -7.2325 -7.2325 -7.0084 -7.0084 -1.8689 -1.8689 -1.0856 -1.0856 -0.7645 -0.7645 6.0095 6.0095 6.0260 6.0260 6.5075 6.5075 7.1715 7.1715 7.2764 7.2764 7.7143 7.7143 12.9356 12.9356 13.0522 13.0522 14.2996 14.2996 14.8359 14.8359 k = 0.6367-0.1060-0.3750 ( 2484 PWs) bands (ev): -31.9811 -31.9811 -17.2675 -17.2675 -13.0839 -13.0839 -11.8557 -11.8557 -11.5106 -11.5106 -7.2594 -7.2594 -6.9919 -6.9919 -1.8435 -1.8435 -1.0667 -1.0667 -0.7482 -0.7482 6.0041 6.0041 6.0199 6.0199 6.4952 6.4952 7.1955 7.1955 7.2974 7.2974 7.7155 7.7155 12.9383 12.9383 13.0847 13.0847 14.2353 14.2353 14.7777 14.7777 k = 0.6313-0.0965-0.3568 ( 2480 PWs) bands (ev): -31.9834 -31.9834 -17.2754 -17.2754 -13.0776 -13.0776 -11.8470 -11.8470 -11.5004 -11.5004 -7.2870 -7.2870 -6.9747 -6.9747 -1.8190 -1.8190 -1.0474 -1.0474 -0.7319 -0.7319 6.0001 6.0001 6.0143 6.0143 6.4832 6.4832 7.2198 7.2198 7.3177 7.3177 7.7140 7.7140 12.9430 12.9430 13.1186 13.1186 14.1734 14.1734 14.7181 14.7181 k = 0.6258-0.0869-0.3386 ( 2486 PWs) bands (ev): -31.9856 -31.9856 -17.2832 -17.2832 -13.0716 -13.0716 -11.8381 -11.8381 -11.4898 -11.4898 -7.3153 -7.3153 -6.9572 -6.9572 -1.7954 -1.7954 -1.0276 -1.0276 -0.7154 -0.7154 5.9974 5.9974 6.0092 6.0092 6.4712 6.4712 7.2443 7.2443 7.3371 7.3371 7.7098 7.7098 12.9496 12.9496 13.1534 13.1534 14.1142 14.1142 14.6577 14.6577 k = 0.6203-0.0774-0.3204 ( 2490 PWs) bands (ev): -31.9878 -31.9878 -17.2909 -17.2909 -13.0660 -13.0660 -11.8293 -11.8293 -11.4788 -11.4788 -7.3439 -7.3439 -6.9395 -6.9395 -1.7730 -1.7730 -1.0074 -1.0074 -0.6989 -0.6989 5.9951 5.9951 6.0055 6.0055 6.4595 6.4595 7.2691 7.2691 7.3553 7.3553 7.7031 7.7031 12.9580 12.9580 13.1888 13.1888 14.0577 14.0577 14.5971 14.5971 k = 0.6149-0.0678-0.3022 ( 2494 PWs) bands (ev): -31.9900 -31.9900 -17.2984 -17.2984 -13.0608 -13.0608 -11.8205 -11.8205 -11.4675 -11.4675 -7.3726 -7.3726 -6.9217 -6.9217 -1.7518 -1.7518 -0.9869 -0.9869 -0.6822 -0.6822 5.9919 5.9919 6.0045 6.0045 6.4479 6.4479 7.2939 7.2939 7.3719 7.3719 7.6942 7.6942 12.9682 12.9682 13.2246 13.2246 14.0041 14.0041 14.5368 14.5368 k = 0.6094-0.0582-0.2840 ( 2494 PWs) bands (ev): -31.9922 -31.9922 -17.3057 -17.3057 -13.0559 -13.0559 -11.8118 -11.8118 -11.4558 -11.4558 -7.4014 -7.4014 -6.9040 -6.9040 -1.7320 -1.7320 -0.9661 -0.9661 -0.6654 -0.6654 5.9875 5.9875 6.0068 6.0068 6.4366 6.4366 7.3187 7.3187 7.3867 7.3867 7.6836 7.6836 12.9799 12.9799 13.2603 13.2603 13.9536 13.9536 14.4771 14.4771 k = 0.6039-0.0487-0.2657 ( 2494 PWs) bands (ev): -31.9943 -31.9943 -17.3129 -17.3129 -13.0514 -13.0514 -11.8034 -11.8034 -11.4438 -11.4438 -7.4301 -7.4301 -6.8864 -6.8864 -1.7136 -1.7136 -0.9452 -0.9452 -0.6485 -0.6485 5.9825 5.9825 6.0116 6.0116 6.4255 6.4255 7.3431 7.3431 7.3992 7.3992 7.6717 7.6717 12.9928 12.9928 13.2957 13.2957 13.9064 13.9064 14.4183 14.4183 k = 0.5985-0.0391-0.2475 ( 2492 PWs) bands (ev): -31.9963 -31.9963 -17.3198 -17.3198 -13.0473 -13.0473 -11.7951 -11.7951 -11.4316 -11.4316 -7.4586 -7.4586 -6.8690 -6.8690 -1.6966 -1.6966 -0.9244 -0.9244 -0.6315 -0.6315 5.9774 5.9774 6.0185 6.0185 6.4147 6.4147 7.3665 7.3665 7.4091 7.4091 7.6596 7.6596 13.0067 13.0067 13.3304 13.3304 13.8627 13.8627 14.3607 14.3607 k = 0.5930-0.0296-0.2293 ( 2492 PWs) bands (ev): -31.9982 -31.9982 -17.3265 -17.3265 -13.0436 -13.0436 -11.7872 -11.7872 -11.4190 -11.4190 -7.4866 -7.4866 -6.8520 -6.8520 -1.6810 -1.6810 -0.9039 -0.9039 -0.6143 -0.6143 5.9723 5.9723 6.0275 6.0275 6.4042 6.4042 7.3863 7.3863 7.4180 7.4180 7.6483 7.6483 13.0209 13.0209 13.3642 13.3642 13.8230 13.8230 14.3045 14.3045 k = 0.5875-0.0200-0.2111 ( 2494 PWs) bands (ev): -32.0001 -32.0001 -17.3330 -17.3330 -13.0402 -13.0402 -11.7796 -11.7796 -11.4063 -11.4063 -7.5141 -7.5141 -6.8355 -6.8355 -1.6669 -1.6669 -0.8839 -0.8839 -0.5970 -0.5970 5.9672 5.9672 6.0384 6.0384 6.3940 6.3940 7.3954 7.3954 7.4317 7.4317 7.6390 7.6390 13.0351 13.0351 13.3967 13.3967 13.7876 13.7876 14.2500 14.2500 k = 0.5820-0.0104-0.1929 ( 2490 PWs) bands (ev): -32.0019 -32.0019 -17.3391 -17.3391 -13.0372 -13.0372 -11.7723 -11.7723 -11.3935 -11.3935 -7.5409 -7.5409 -6.8195 -6.8195 -1.6541 -1.6541 -0.8646 -0.8646 -0.5796 -0.5796 5.9623 5.9623 6.0512 6.0512 6.3842 6.3842 7.3912 7.3912 7.4520 7.4520 7.6328 7.6328 13.0486 13.0486 13.4276 13.4276 13.7571 13.7571 14.1974 14.1974 k = 0.5766-0.0009-0.1747 ( 2490 PWs) bands (ev): -32.0036 -32.0036 -17.3450 -17.3450 -13.0345 -13.0345 -11.7655 -11.7655 -11.3807 -11.3807 -7.5668 -7.5668 -6.8041 -6.8041 -1.6426 -1.6426 -0.8461 -0.8461 -0.5621 -0.5621 5.9575 5.9575 6.0659 6.0659 6.3748 6.3748 7.3778 7.3778 7.4745 7.4745 7.6301 7.6301 13.0607 13.0607 13.4566 13.4566 13.7318 13.7318 14.1468 14.1468 k = 0.5711 0.0087-0.1564 ( 2490 PWs) bands (ev): -32.0053 -32.0053 -17.3505 -17.3505 -13.0321 -13.0321 -11.7592 -11.7592 -11.3680 -11.3680 -7.5918 -7.5918 -6.7894 -6.7894 -1.6324 -1.6324 -0.8287 -0.8287 -0.5446 -0.5446 5.9528 5.9528 6.0822 6.0822 6.3659 6.3659 7.3575 7.3575 7.4971 7.4971 7.6305 7.6305 13.0708 13.0708 13.4834 13.4834 13.7125 13.7125 14.0986 14.0986 k = 0.5656 0.0182-0.1382 ( 2494 PWs) bands (ev): -32.0068 -32.0068 -17.3557 -17.3557 -13.0300 -13.0300 -11.7533 -11.7533 -11.3555 -11.3555 -7.6156 -7.6156 -6.7755 -6.7755 -1.6234 -1.6234 -0.8125 -0.8125 -0.5272 -0.5272 5.9484 5.9484 6.1001 6.1001 6.3574 6.3574 7.3319 7.3319 7.5192 7.5192 7.6335 7.6335 13.0783 13.0783 13.5077 13.5077 13.6993 13.6993 14.0529 14.0529 k = 0.5602 0.0278-0.1200 ( 2494 PWs) bands (ev): -32.0082 -32.0082 -17.3605 -17.3605 -13.0282 -13.0282 -11.7478 -11.7478 -11.3434 -11.3434 -7.6382 -7.6382 -6.7624 -6.7624 -1.6154 -1.6154 -0.7976 -0.7976 -0.5102 -0.5102 5.9442 5.9442 6.1193 6.1193 6.3494 6.3494 7.3023 7.3023 7.5404 7.5404 7.6383 7.6383 13.0827 13.0827 13.5293 13.5293 13.6924 13.6924 14.0102 14.0102 k = 0.5547 0.0374-0.1018 ( 2488 PWs) bands (ev): -32.0096 -32.0096 -17.3650 -17.3650 -13.0267 -13.0267 -11.7429 -11.7429 -11.3317 -11.3317 -7.6593 -7.6593 -6.7503 -6.7503 -1.6085 -1.6085 -0.7840 -0.7840 -0.4937 -0.4937 5.9402 5.9402 6.1398 6.1398 6.3419 6.3419 7.2701 7.2701 7.5604 7.5604 7.6441 7.6441 13.0841 13.0841 13.5481 13.5481 13.6917 13.6917 13.9706 13.9706 k = 0.5492 0.0469-0.0836 ( 2488 PWs) bands (ev): -32.0108 -32.0108 -17.3691 -17.3691 -13.0253 -13.0253 -11.7384 -11.7384 -11.3206 -11.3206 -7.6789 -7.6789 -6.7391 -6.7391 -1.6025 -1.6025 -0.7718 -0.7718 -0.4778 -0.4778 5.9366 5.9366 6.1612 6.1612 6.3350 6.3350 7.2362 7.2362 7.5790 7.5790 7.6505 7.6505 13.0826 13.0826 13.5640 13.5640 13.6963 13.6963 13.9346 13.9346 k = 0.5438 0.0565-0.0654 ( 2486 PWs) bands (ev): -32.0119 -32.0119 -17.3728 -17.3728 -13.0242 -13.0242 -11.7345 -11.7345 -11.3103 -11.3103 -7.6968 -7.6968 -6.7289 -6.7289 -1.5973 -1.5973 -0.7609 -0.7609 -0.4628 -0.4628 5.9332 5.9332 6.1831 6.1831 6.3288 6.3288 7.2018 7.2018 7.5960 7.5960 7.6572 7.6572 13.0788 13.0788 13.5771 13.5771 13.7053 13.7053 13.9024 13.9024 k = 0.5383 0.0660-0.0471 ( 2486 PWs) bands (ev): -32.0128 -32.0128 -17.3761 -17.3761 -13.0232 -13.0232 -11.7310 -11.7310 -11.3009 -11.3009 -7.7130 -7.7130 -6.7198 -6.7198 -1.5929 -1.5929 -0.7515 -0.7515 -0.4490 -0.4490 5.9302 5.9302 6.2051 6.2051 6.3232 6.3232 7.1677 7.1677 7.6110 7.6110 7.6639 7.6639 13.0732 13.0732 13.5874 13.5874 13.7174 13.7174 13.8744 13.8744 k = 0.5328 0.0756-0.0289 ( 2482 PWs) bands (ev): -32.0137 -32.0137 -17.3789 -17.3789 -13.0224 -13.0224 -11.7280 -11.7280 -11.2924 -11.2924 -7.7272 -7.7272 -6.7118 -6.7118 -1.5893 -1.5893 -0.7434 -0.7434 -0.4366 -0.4366 5.9275 5.9275 6.2266 6.2266 6.3183 6.3183 7.1349 7.1349 7.6238 7.6238 7.6705 7.6705 13.0667 13.0667 13.5950 13.5950 13.7313 13.7313 13.8509 13.8509 k = 0.5273 0.0851-0.0107 ( 2478 PWs) bands (ev): -32.0144 -32.0144 -17.3814 -17.3814 -13.0218 -13.0218 -11.7255 -11.7255 -11.2850 -11.2850 -7.7394 -7.7394 -6.7050 -6.7050 -1.5862 -1.5862 -0.7366 -0.7366 -0.4256 -0.4256 5.9252 5.9252 6.2469 6.2469 6.3142 6.3142 7.1044 7.1044 7.6345 7.6345 7.6768 7.6768 13.0599 13.0599 13.6002 13.6002 13.7455 13.7455 13.8320 13.8320 k = 0.5219 0.0947 0.0075 ( 2478 PWs) bands (ev): -32.0150 -32.0150 -17.3834 -17.3834 -13.0213 -13.0213 -11.7234 -11.7234 -11.2788 -11.2788 -7.7496 -7.7496 -6.6994 -6.6994 -1.5839 -1.5839 -0.7311 -0.7311 -0.4164 -0.4164 5.9233 5.9233 6.2653 6.2653 6.3110 6.3110 7.0773 7.0773 7.6429 7.6429 7.6826 7.6826 13.0535 13.0535 13.6031 13.6031 13.7586 13.7586 13.8178 13.8178 k = 0.5164 0.1043 0.0257 ( 2476 PWs) bands (ev): -32.0155 -32.0155 -17.3849 -17.3849 -13.0209 -13.0209 -11.7218 -11.7218 -11.2739 -11.2739 -7.7575 -7.7575 -6.6950 -6.6950 -1.5820 -1.5820 -0.7269 -0.7269 -0.4091 -0.4091 5.9218 5.9218 6.2806 6.2806 6.3087 6.3087 7.0547 7.0547 7.6491 7.6491 7.6876 7.6876 13.0479 13.0479 13.6045 13.6045 13.7691 13.7691 13.8084 13.8084 k = 0.5109 0.1138 0.0439 ( 2480 PWs) bands (ev): -32.0158 -32.0158 -17.3861 -17.3861 -13.0207 -13.0207 -11.7207 -11.7207 -11.2704 -11.2704 -7.7632 -7.7632 -6.6918 -6.6918 -1.5808 -1.5808 -0.7238 -0.7238 -0.4038 -0.4038 5.9208 5.9208 6.2915 6.2915 6.3079 6.3079 7.0375 7.0375 7.6534 7.6534 7.6914 7.6914 13.0437 13.0437 13.6049 13.6049 13.7755 13.7755 13.8040 13.8040 k = 0.5055 0.1234 0.0622 ( 2478 PWs) bands (ev): -32.0160 -32.0160 -17.3867 -17.3867 -13.0205 -13.0205 -11.7200 -11.7200 -11.2682 -11.2682 -7.7667 -7.7667 -6.6899 -6.6899 -1.5800 -1.5800 -0.7220 -0.7220 -0.4006 -0.4006 5.9201 5.9201 6.2970 6.2970 6.3089 6.3089 7.0268 7.0268 7.6558 7.6558 7.6938 7.6938 13.0411 13.0411 13.6049 13.6049 13.7779 13.7779 13.8034 13.8034 k = 0.5000 0.1329 0.0804 ( 2474 PWs) bands (ev): -32.0161 -32.0161 -17.3870 -17.3870 -13.0205 -13.0205 -11.7198 -11.7198 -11.2675 -11.2675 -7.7679 -7.7679 -6.6893 -6.6893 -1.5798 -1.5798 -0.7214 -0.7214 -0.3995 -0.3995 5.9199 5.9199 6.2983 6.2983 6.3099 6.3099 7.0232 7.0232 7.6567 7.6567 7.6947 7.6947 13.0402 13.0402 13.6048 13.6048 13.7783 13.7783 13.8037 13.8037 k = 0.5000 0.1329 0.0804 ( 2474 PWs) bands (ev): -32.0161 -32.0161 -17.3870 -17.3870 -13.0205 -13.0205 -11.7198 -11.7198 -11.2675 -11.2675 -7.7679 -7.7679 -6.6893 -6.6893 -1.5798 -1.5798 -0.7214 -0.7214 -0.3995 -0.3995 5.9199 5.9199 6.2983 6.2983 6.3099 6.3099 7.0232 7.0232 7.6567 7.6567 7.6947 7.6947 13.0402 13.0402 13.6048 13.6048 13.7783 13.7783 13.8037 13.8037 k = 0.4800 0.1276 0.0772 ( 2477 PWs) bands (ev): -32.0161 -32.0161 -17.3870 -17.3870 -13.0205 -13.0205 -11.7198 -11.7198 -11.2675 -11.2675 -7.7673 -7.7673 -6.6898 -6.6898 -1.5797 -1.5797 -0.7214 -0.7214 -0.3995 -0.3995 5.9171 5.9171 6.2980 6.2980 6.3096 6.3096 7.0269 7.0269 7.6571 7.6571 7.6951 7.6951 13.0367 13.0367 13.6034 13.6034 13.7778 13.7778 13.8031 13.8031 k = 0.4600 0.1223 0.0739 ( 2474 PWs) bands (ev): -32.0161 -32.0161 -17.3869 -17.3869 -13.0206 -13.0206 -11.7199 -11.7199 -11.2675 -11.2675 -7.7658 -7.7658 -6.6913 -6.6913 -1.5794 -1.5794 -0.7212 -0.7212 -0.3995 -0.3995 5.9089 5.9089 6.2972 6.2972 6.3088 6.3088 7.0379 7.0379 7.6583 7.6583 7.6964 7.6964 13.0263 13.0263 13.5994 13.5994 13.7763 13.7763 13.8014 13.8014 k = 0.4400 0.1170 0.0707 ( 2474 PWs) bands (ev): -32.0161 -32.0161 -17.3869 -17.3869 -13.0208 -13.0208 -11.7202 -11.7202 -11.2675 -11.2675 -7.7633 -7.7633 -6.6937 -6.6937 -1.5790 -1.5790 -0.7209 -0.7209 -0.3994 -0.3994 5.8956 5.8956 6.2959 6.2959 6.3074 6.3074 7.0557 7.0557 7.6604 7.6604 7.6985 7.6985 13.0089 13.0089 13.5931 13.5931 13.7738 13.7738 13.7987 13.7987 k = 0.4200 0.1117 0.0675 ( 2474 PWs) bands (ev): -32.0161 -32.0161 -17.3868 -17.3868 -13.0211 -13.0211 -11.7205 -11.7205 -11.2675 -11.2675 -7.7598 -7.7598 -6.6971 -6.6971 -1.5784 -1.5784 -0.7205 -0.7205 -0.3994 -0.3994 5.8779 5.8779 6.2941 6.2941 6.3056 6.3056 7.0797 7.0797 7.6632 7.6632 7.7014 7.7014 12.9847 12.9847 13.5851 13.5851 13.7703 13.7703 13.7949 13.7949 k = 0.4000 0.1064 0.0643 ( 2465 PWs) bands (ev): -32.0161 -32.0161 -17.3867 -17.3867 -13.0214 -13.0214 -11.7208 -11.7208 -11.2675 -11.2675 -7.7554 -7.7554 -6.7014 -6.7014 -1.5776 -1.5776 -0.7200 -0.7200 -0.3994 -0.3994 5.8565 5.8565 6.2918 6.2918 6.3033 6.3033 7.1091 7.1091 7.6668 7.6668 7.7051 7.7051 12.9538 12.9538 13.5760 13.5760 13.7659 13.7659 13.7902 13.7902 k = 0.3800 0.1010 0.0611 ( 2477 PWs) bands (ev): -32.0161 -32.0161 -17.3865 -17.3865 -13.0219 -13.0219 -11.7213 -11.7213 -11.2675 -11.2675 -7.7500 -7.7500 -6.7065 -6.7065 -1.5767 -1.5767 -0.7194 -0.7194 -0.3993 -0.3993 5.8322 5.8322 6.2891 6.2891 6.3005 6.3005 7.1429 7.1429 7.6710 7.6710 7.7094 7.7094 12.9166 12.9166 13.5664 13.5664 13.7608 13.7608 13.7848 13.7848 k = 0.3600 0.0957 0.0579 ( 2477 PWs) bands (ev): -32.0161 -32.0161 -17.3864 -17.3864 -13.0223 -13.0223 -11.7218 -11.7218 -11.2675 -11.2675 -7.7439 -7.7439 -6.7125 -6.7125 -1.5757 -1.5757 -0.7188 -0.7188 -0.3993 -0.3993 5.8058 5.8058 6.2861 6.2861 6.2974 6.2974 7.1805 7.1805 7.6758 7.6758 7.7144 7.7144 12.8737 12.8737 13.5570 13.5570 13.7549 13.7549 13.7787 13.7787 k = 0.3400 0.0904 0.0547 ( 2471 PWs) bands (ev): -32.0161 -32.0161 -17.3862 -17.3862 -13.0229 -13.0229 -11.7224 -11.7224 -11.2675 -11.2675 -7.7370 -7.7370 -6.7191 -6.7191 -1.5746 -1.5746 -0.7180 -0.7180 -0.3992 -0.3992 5.7779 5.7779 6.2828 6.2828 6.2940 6.2940 7.2208 7.2208 7.6811 7.6811 7.7198 7.7198 12.8258 12.8258 13.5482 13.5482 13.7485 13.7485 13.7720 13.7720 k = 0.3200 0.0851 0.0514 ( 2472 PWs) bands (ev): -32.0161 -32.0161 -17.3861 -17.3861 -13.0234 -13.0234 -11.7230 -11.7230 -11.2675 -11.2675 -7.7294 -7.7294 -6.7265 -6.7265 -1.5734 -1.5734 -0.7172 -0.7172 -0.3992 -0.3992 5.7491 5.7491 6.2792 6.2792 6.2903 6.2903 7.2632 7.2632 7.6869 7.6869 7.7257 7.7257 12.7740 12.7740 13.5403 13.5403 13.7416 13.7416 13.7649 13.7649 k = 0.3000 0.0798 0.0482 ( 2478 PWs) bands (ev): -32.0161 -32.0161 -17.3859 -17.3859 -13.0240 -13.0240 -11.7236 -11.7236 -11.2675 -11.2675 -7.7213 -7.7213 -6.7344 -6.7344 -1.5721 -1.5721 -0.7163 -0.7163 -0.3991 -0.3991 5.7201 5.7201 6.2754 6.2754 6.2864 6.2864 7.3068 7.3068 7.6930 7.6930 7.7320 7.7320 12.7192 12.7192 13.5333 13.5333 13.7342 13.7342 13.7575 13.7575 k = 0.2800 0.0744 0.0450 ( 2481 PWs) bands (ev): -32.0161 -32.0161 -17.3857 -17.3857 -13.0247 -13.0247 -11.7243 -11.7243 -11.2675 -11.2675 -7.7127 -7.7127 -6.7427 -6.7427 -1.5707 -1.5707 -0.7154 -0.7154 -0.3991 -0.3991 5.6913 5.6913 6.2715 6.2715 6.2823 6.2823 7.3511 7.3511 7.6994 7.6994 7.7384 7.7384 12.6625 12.6625 13.5274 13.5274 13.7267 13.7267 13.7499 13.7499 k = 0.2600 0.0691 0.0418 ( 2475 PWs) bands (ev): -32.0161 -32.0161 -17.3855 -17.3855 -13.0253 -13.0253 -11.7250 -11.7250 -11.2675 -11.2675 -7.7037 -7.7037 -6.7514 -6.7514 -1.5694 -1.5694 -0.7144 -0.7144 -0.3990 -0.3990 5.6631 5.6631 6.2676 6.2676 6.2782 6.2782 7.3954 7.3954 7.7060 7.7060 7.7450 7.7450 12.6049 12.6049 13.5225 13.5225 13.7190 13.7190 13.7422 13.7422 k = 0.2400 0.0638 0.0386 ( 2484 PWs) bands (ev): -32.0161 -32.0161 -17.3853 -17.3853 -13.0260 -13.0260 -11.7257 -11.7257 -11.2675 -11.2675 -7.6945 -7.6945 -6.7603 -6.7603 -1.5680 -1.5680 -0.7135 -0.7135 -0.3989 -0.3989 5.6359 5.6359 6.2637 6.2637 6.2741 6.2741 7.4390 7.4390 7.7126 7.7126 7.7516 7.7516 12.5475 12.5475 13.5185 13.5185 13.7114 13.7114 13.7345 13.7345 k = 0.2200 0.0585 0.0354 ( 2484 PWs) bands (ev): -32.0161 -32.0161 -17.3851 -17.3851 -13.0266 -13.0266 -11.7264 -11.7264 -11.2675 -11.2675 -7.6852 -7.6852 -6.7694 -6.7694 -1.5666 -1.5666 -0.7125 -0.7125 -0.3989 -0.3989 5.6099 5.6099 6.2598 6.2598 6.2701 6.2701 7.4815 7.4815 7.7193 7.7193 7.7582 7.7582 12.4912 12.4912 13.5153 13.5153 13.7038 13.7038 13.7270 13.7270 k = 0.2000 0.0532 0.0321 ( 2484 PWs) bands (ev): -32.0161 -32.0161 -17.3849 -17.3849 -13.0273 -13.0273 -11.7270 -11.7270 -11.2675 -11.2675 -7.6759 -7.6759 -6.7784 -6.7784 -1.5653 -1.5653 -0.7116 -0.7116 -0.3988 -0.3988 5.5854 5.5854 6.2560 6.2560 6.2662 6.2662 7.5222 7.5222 7.7259 7.7259 7.7645 7.7645 12.4367 12.4367 13.5128 13.5128 13.6965 13.6965 13.7198 13.7198 k = 0.1800 0.0479 0.0289 ( 2484 PWs) bands (ev): -32.0161 -32.0161 -17.3847 -17.3847 -13.0279 -13.0279 -11.7277 -11.7277 -11.2675 -11.2675 -7.6669 -7.6669 -6.7872 -6.7872 -1.5640 -1.5640 -0.7107 -0.7107 -0.3987 -0.3987 5.5628 5.5628 6.2525 6.2525 6.2625 6.2625 7.5606 7.5606 7.7324 7.7324 7.7706 7.7706 12.3849 12.3849 13.5109 13.5109 13.6896 13.6896 13.7129 13.7129 k = 0.1600 0.0425 0.0257 ( 2481 PWs) bands (ev): -32.0161 -32.0161 -17.3846 -17.3846 -13.0284 -13.0284 -11.7283 -11.7283 -11.2675 -11.2675 -7.6582 -7.6582 -6.7956 -6.7956 -1.5628 -1.5628 -0.7099 -0.7099 -0.3987 -0.3987 5.5420 5.5420 6.2491 6.2491 6.2590 6.2590 7.5962 7.5962 7.7388 7.7388 7.7763 7.7763 12.3366 12.3366 13.5096 13.5096 13.6831 13.6831 13.7065 13.7065 k = 0.1400 0.0372 0.0225 ( 2481 PWs) bands (ev): -32.0161 -32.0161 -17.3844 -17.3844 -13.0289 -13.0289 -11.7288 -11.7288 -11.2675 -11.2675 -7.6500 -7.6500 -6.8036 -6.8036 -1.5617 -1.5617 -0.7091 -0.7091 -0.3986 -0.3986 5.5233 5.5233 6.2461 6.2461 6.2558 6.2558 7.6284 7.6284 7.7451 7.7451 7.7816 7.7816 12.2923 12.2923 13.5086 13.5086 13.6771 13.6771 13.7006 13.7006 k = 0.1200 0.0319 0.0193 ( 2478 PWs) bands (ev): -32.0161 -32.0161 -17.3843 -17.3843 -13.0294 -13.0294 -11.7293 -11.7293 -11.2675 -11.2675 -7.6425 -7.6425 -6.8109 -6.8109 -1.5607 -1.5607 -0.7084 -0.7084 -0.3986 -0.3986 5.5069 5.5069 6.2433 6.2433 6.2530 6.2530 7.6565 7.6565 7.7514 7.7514 7.7863 7.7863 12.2527 12.2527 13.5080 13.5080 13.6718 13.6718 13.6954 13.6954 k = 0.1000 0.0266 0.0161 ( 2478 PWs) bands (ev): -32.0161 -32.0161 -17.3841 -17.3841 -13.0298 -13.0298 -11.7297 -11.7297 -11.2675 -11.2675 -7.6359 -7.6359 -6.8173 -6.8173 -1.5598 -1.5598 -0.7078 -0.7078 -0.3985 -0.3985 5.4928 5.4928 6.2409 6.2409 6.2505 6.2505 7.6802 7.6802 7.7578 7.7578 7.7904 7.7904 12.2182 12.2182 13.5075 13.5075 13.6671 13.6671 13.6908 13.6908 k = 0.0800 0.0213 0.0129 ( 2478 PWs) bands (ev): -32.0161 -32.0161 -17.3840 -17.3840 -13.0302 -13.0302 -11.7301 -11.7301 -11.2675 -11.2675 -7.6302 -7.6302 -6.8229 -6.8229 -1.5591 -1.5591 -0.7072 -0.7072 -0.3985 -0.3985 5.4812 5.4812 6.2389 6.2389 6.2484 6.2484 7.6989 7.6989 7.7642 7.7642 7.7939 7.7939 12.1894 12.1894 13.5073 13.5073 13.6632 13.6632 13.6870 13.6870 k = 0.0600 0.0160 0.0096 ( 2490 PWs) bands (ev): -32.0161 -32.0161 -17.3840 -17.3840 -13.0305 -13.0305 -11.7304 -11.7304 -11.2676 -11.2676 -7.6256 -7.6256 -6.8273 -6.8273 -1.5585 -1.5585 -0.7068 -0.7068 -0.3985 -0.3985 5.4720 5.4720 6.2373 6.2373 6.2468 6.2468 7.7124 7.7124 7.7706 7.7706 7.7966 7.7966 12.1665 12.1665 13.5071 13.5071 13.6601 13.6601 13.6840 13.6840 k = 0.0400 0.0106 0.0064 ( 2487 PWs) bands (ev): -32.0161 -32.0161 -17.3839 -17.3839 -13.0307 -13.0307 -11.7306 -11.7306 -11.2676 -11.2676 -7.6223 -7.6223 -6.8306 -6.8306 -1.5581 -1.5581 -0.7065 -0.7065 -0.3984 -0.3984 5.4655 5.4655 6.2362 6.2362 6.2456 6.2456 7.7213 7.7213 7.7761 7.7761 7.7986 7.7986 12.1500 12.1500 13.5071 13.5071 13.6579 13.6579 13.6818 13.6818 k = 0.0200 0.0053 0.0032 ( 2487 PWs) bands (ev): -32.0161 -32.0161 -17.3839 -17.3839 -13.0308 -13.0308 -11.7308 -11.7308 -11.2676 -11.2676 -7.6202 -7.6202 -6.8326 -6.8326 -1.5579 -1.5579 -0.7063 -0.7063 -0.3984 -0.3984 5.4615 5.4615 6.2355 6.2355 6.2448 6.2448 7.7263 7.7263 7.7800 7.7800 7.7998 7.7998 12.1399 12.1399 13.5070 13.5070 13.6566 13.6566 13.6805 13.6805 k = 0.0000 0.0000 0.0000 ( 2499 PWs) bands (ev): -32.0161 -32.0161 -17.3838 -17.3838 -13.0309 -13.0309 -11.7308 -11.7308 -11.2676 -11.2676 -7.6196 -7.6196 -6.8333 -6.8333 -1.5578 -1.5578 -0.7063 -0.7063 -0.3984 -0.3984 5.4602 5.4602 6.2353 6.2353 6.2446 6.2446 7.7278 7.7278 7.7813 7.7813 7.8002 7.8002 12.1366 12.1366 13.5070 13.5070 13.6561 13.6561 13.6801 13.6801 k = 0.0000 0.0000 0.0000 ( 2499 PWs) bands (ev): -32.0161 -32.0161 -17.3838 -17.3838 -13.0309 -13.0309 -11.7308 -11.7308 -11.2676 -11.2676 -7.6196 -7.6196 -6.8333 -6.8333 -1.5578 -1.5578 -0.7063 -0.7063 -0.3984 -0.3984 5.4602 5.4602 6.2353 6.2353 6.2446 6.2446 7.7278 7.7278 7.7813 7.7813 7.8002 7.8002 12.1366 12.1366 13.5070 13.5070 13.6561 13.6561 13.6801 13.6801 k = 0.0055-0.0096-0.0183 ( 2489 PWs) bands (ev): -32.0160 -32.0160 -17.3836 -17.3836 -13.0309 -13.0309 -11.7310 -11.7310 -11.2683 -11.2683 -7.6185 -7.6185 -6.8337 -6.8337 -1.5582 -1.5582 -0.7070 -0.7070 -0.3996 -0.3996 5.4618 5.4618 6.2358 6.2358 6.2451 6.2451 7.7267 7.7267 7.7800 7.7800 7.7982 7.7982 12.1407 12.1407 13.5090 13.5090 13.6559 13.6559 13.6802 13.6802 k = 0.0110-0.0192-0.0367 ( 2481 PWs) bands (ev): -32.0158 -32.0158 -17.3829 -17.3829 -13.0310 -13.0310 -11.7317 -11.7317 -11.2704 -11.2704 -7.6154 -7.6154 -6.8351 -6.8351 -1.5593 -1.5593 -0.7090 -0.7090 -0.4030 -0.4030 5.4665 5.4665 6.2373 6.2373 6.2465 6.2465 7.7231 7.7231 7.7756 7.7756 7.7931 7.7931 12.1530 12.1530 13.5149 13.5149 13.6541 13.6541 13.6821 13.6821 k = 0.0165-0.0289-0.0550 ( 2481 PWs) bands (ev): -32.0155 -32.0155 -17.3818 -17.3818 -13.0311 -13.0311 -11.7328 -11.7328 -11.2739 -11.2739 -7.6103 -7.6103 -6.8375 -6.8375 -1.5613 -1.5613 -0.7124 -0.7124 -0.4085 -0.4085 5.4743 5.4743 6.2397 6.2397 6.2490 6.2490 7.7162 7.7162 7.7673 7.7673 7.7866 7.7866 12.1733 12.1733 13.5243 13.5243 13.6482 13.6482 13.6882 13.6882 k = 0.0220-0.0385-0.0733 ( 2481 PWs) bands (ev): -32.0150 -32.0150 -17.3803 -17.3803 -13.0314 -13.0314 -11.7343 -11.7343 -11.2788 -11.2788 -7.6033 -7.6033 -6.8407 -6.8407 -1.5640 -1.5640 -0.7172 -0.7172 -0.4162 -0.4162 5.4851 5.4851 6.2430 6.2430 6.2525 6.2525 7.7041 7.7041 7.7559 7.7559 7.7800 7.7800 12.2015 12.2015 13.5367 13.5367 13.6380 13.6380 13.6996 13.6996 k = 0.0275-0.0481-0.0917 ( 2483 PWs) bands (ev): -32.0144 -32.0144 -17.3782 -17.3782 -13.0317 -13.0317 -11.7363 -11.7363 -11.2850 -11.2850 -7.5943 -7.5943 -6.8449 -6.8449 -1.5675 -1.5675 -0.7234 -0.7234 -0.4258 -0.4258 5.4988 5.4988 6.2471 6.2471 6.2572 6.2572 7.6848 7.6848 7.7440 7.7440 7.7731 7.7731 12.2371 12.2371 13.5510 13.5510 13.6247 13.6247 13.7159 13.7159 k = 0.0330-0.0577-0.1100 ( 2485 PWs) bands (ev): -32.0137 -32.0137 -17.3758 -17.3758 -13.0322 -13.0322 -11.7387 -11.7387 -11.2924 -11.2924 -7.5834 -7.5834 -6.8499 -6.8499 -1.5719 -1.5719 -0.7311 -0.7311 -0.4371 -0.4371 5.5153 5.5153 6.2517 6.2517 6.2631 6.2631 7.6576 7.6576 7.7332 7.7332 7.7656 7.7656 12.2799 12.2799 13.5650 13.5650 13.6107 13.6107 13.7373 13.7373 k = 0.0385-0.0674-0.1284 ( 2479 PWs) bands (ev): -32.0128 -32.0128 -17.3729 -17.3729 -13.0327 -13.0327 -11.7416 -11.7416 -11.3008 -11.3008 -7.5708 -7.5708 -6.8559 -6.8559 -1.5771 -1.5771 -0.7403 -0.7403 -0.4500 -0.4500 5.5345 5.5345 6.2568 6.2568 6.2702 6.2702 7.6235 7.6235 7.7228 7.7228 7.7576 7.7576 12.3294 12.3294 13.5692 13.5692 13.6051 13.6051 13.7639 13.7639 k = 0.0440-0.0770-0.1467 ( 2483 PWs) bands (ev): -32.0118 -32.0118 -17.3697 -17.3697 -13.0334 -13.0334 -11.7450 -11.7450 -11.3103 -11.3103 -7.5565 -7.5565 -6.8626 -6.8626 -1.5832 -1.5832 -0.7510 -0.7510 -0.4642 -0.4642 5.5563 5.5563 6.2624 6.2624 6.2784 6.2784 7.5839 7.5839 7.7121 7.7121 7.7492 7.7492 12.3851 12.3851 13.5549 13.5549 13.6164 13.6164 13.7957 13.7957 k = 0.0496-0.0866-0.1650 ( 2485 PWs) bands (ev): -32.0107 -32.0107 -17.3660 -17.3660 -13.0343 -13.0343 -11.7488 -11.7488 -11.3206 -11.3206 -7.5407 -7.5407 -6.8702 -6.8702 -1.5902 -1.5902 -0.7632 -0.7632 -0.4795 -0.4795 5.5803 5.5803 6.2684 6.2684 6.2877 6.2877 7.5398 7.5398 7.7003 7.7003 7.7404 7.7404 12.4465 12.4465 13.5332 13.5332 13.6336 13.6336 13.8328 13.8328 k = 0.0551-0.0962-0.1834 ( 2477 PWs) bands (ev): -32.0095 -32.0095 -17.3619 -17.3619 -13.0353 -13.0353 -11.7531 -11.7531 -11.3317 -11.3317 -7.5235 -7.5235 -6.8785 -6.8785 -1.5981 -1.5981 -0.7769 -0.7769 -0.4957 -0.4957 5.6065 5.6065 6.2748 6.2748 6.2981 6.2981 7.4921 7.4921 7.6871 7.6871 7.7315 7.7315 12.5131 12.5131 13.5090 13.5090 13.6519 13.6519 13.8748 13.8748 k = 0.0606-0.1058-0.2017 ( 2479 PWs) bands (ev): -32.0081 -32.0081 -17.3574 -17.3574 -13.0366 -13.0366 -11.7579 -11.7579 -11.3434 -11.3434 -7.5049 -7.5049 -6.8875 -6.8875 -1.6070 -1.6070 -0.7922 -0.7922 -0.5124 -0.5124 5.6346 5.6346 6.2814 6.2814 6.3093 6.3093 7.4416 7.4416 7.6724 7.6724 7.7227 7.7227 12.5843 12.5843 13.4836 13.4836 13.6702 13.6702 13.9214 13.9214 k = 0.0661-0.1155-0.2200 ( 2483 PWs) bands (ev): -32.0067 -32.0067 -17.3526 -17.3526 -13.0381 -13.0381 -11.7631 -11.7631 -11.3556 -11.3556 -7.4852 -7.4852 -6.8973 -6.8973 -1.6170 -1.6170 -0.8089 -0.8089 -0.5295 -0.5295 5.6644 5.6644 6.2884 6.2884 6.3212 6.3212 7.3889 7.3889 7.6560 7.6560 7.7139 7.7139 12.6594 12.6594 13.4576 13.4576 13.6882 13.6882 13.9720 13.9720 k = 0.0716-0.1251-0.2384 ( 2485 PWs) bands (ev): -32.0052 -32.0052 -17.3474 -17.3474 -13.0398 -13.0398 -11.7687 -11.7687 -11.3682 -11.3682 -7.4645 -7.4645 -6.9076 -6.9076 -1.6280 -1.6280 -0.8269 -0.8269 -0.5469 -0.5469 5.6957 5.6957 6.2955 6.2955 6.3337 6.3337 7.3348 7.3348 7.6380 7.6380 7.7052 7.7052 12.7379 12.7379 13.4315 13.4315 13.7057 13.7057 14.0263 14.0263 k = 0.0771-0.1347-0.2567 ( 2481 PWs) bands (ev): -32.0035 -32.0035 -17.3419 -17.3419 -13.0418 -13.0418 -11.7748 -11.7748 -11.3810 -11.3810 -7.4429 -7.4429 -6.9185 -6.9185 -1.6401 -1.6401 -0.8461 -0.8461 -0.5643 -0.5643 5.7282 5.7282 6.3027 6.3027 6.3465 6.3465 7.2800 7.2800 7.6185 7.6185 7.6967 7.6967 12.8190 12.8190 13.4057 13.4057 13.7226 13.7226 14.0836 14.0836 k = 0.0826-0.1443-0.2751 ( 2479 PWs) bands (ev): -32.0018 -32.0018 -17.3361 -17.3361 -13.0442 -13.0442 -11.7813 -11.7813 -11.3939 -11.3939 -7.4206 -7.4206 -6.9299 -6.9299 -1.6534 -1.6534 -0.8663 -0.8663 -0.5817 -0.5817 5.7617 5.7617 6.3100 6.3100 6.3593 6.3593 7.2252 7.2252 7.5976 7.5976 7.6883 7.6883 12.9020 12.9020 13.3805 13.3805 13.7392 13.7392 14.1437 14.1437 k = 0.0881-0.1540-0.2934 ( 2481 PWs) bands (ev): -31.9999 -31.9999 -17.3300 -17.3300 -13.0468 -13.0468 -11.7882 -11.7882 -11.4068 -11.4068 -7.3976 -7.3976 -6.9418 -6.9418 -1.6679 -1.6679 -0.8873 -0.8873 -0.5990 -0.5990 5.7959 5.7959 6.3172 6.3172 6.3717 6.3717 7.1712 7.1712 7.5755 7.5755 7.6801 7.6801 12.9857 12.9857 13.3563 13.3563 13.7555 13.7555 14.2060 14.2060 k = 0.0936-0.1636-0.3117 ( 2485 PWs) bands (ev): -31.9980 -31.9980 -17.3236 -17.3236 -13.0498 -13.0498 -11.7955 -11.7955 -11.4197 -11.4197 -7.3742 -7.3742 -6.9540 -6.9540 -1.6836 -1.6836 -0.9089 -0.9089 -0.6162 -0.6162 5.8305 5.8305 6.3244 6.3244 6.3832 6.3832 7.1189 7.1189 7.5521 7.5521 7.6721 7.6721 13.0692 13.0692 13.3333 13.3333 13.7721 13.7721 14.2705 14.2705 k = 0.0991-0.1732-0.3301 ( 2477 PWs) bands (ev): -31.9961 -31.9961 -17.3169 -17.3169 -13.0532 -13.0532 -11.8030 -11.8030 -11.4324 -11.4324 -7.3505 -7.3505 -6.9666 -6.9666 -1.7005 -1.7005 -0.9308 -0.9308 -0.6332 -0.6332 5.8653 5.8653 6.3313 6.3313 6.3930 6.3930 7.0695 7.0695 7.5277 7.5277 7.6645 7.6645 13.1510 13.1510 13.3118 13.3118 13.7897 13.7897 14.3367 14.3367 k = 0.1046-0.1828-0.3484 ( 2471 PWs) bands (ev): -31.9940 -31.9940 -17.3100 -17.3100 -13.0569 -13.0569 -11.8109 -11.8109 -11.4448 -11.4448 -7.3267 -7.3267 -6.9793 -6.9793 -1.7187 -1.7187 -0.9527 -0.9527 -0.6502 -0.6502 5.9000 5.9000 6.3380 6.3380 6.4003 6.4003 7.0241 7.0241 7.5022 7.5022 7.6571 7.6571 13.2284 13.2284 13.2927 13.2927 13.8098 13.8098 14.4045 14.4045 k = 0.1101-0.1924-0.3667 ( 2471 PWs) bands (ev): -31.9919 -31.9919 -17.3029 -17.3029 -13.0610 -13.0610 -11.8189 -11.8189 -11.4570 -11.4570 -7.3029 -7.3029 -6.9922 -6.9922 -1.7381 -1.7381 -0.9746 -0.9746 -0.6670 -0.6670 5.9343 5.9343 6.3444 6.3444 6.4040 6.4040 6.9841 6.9841 7.4759 7.4759 7.6502 7.6502 13.2695 13.2695 13.3058 13.3058 13.8340 13.8340 14.4738 14.4738 k = 0.1156-0.2021-0.3851 ( 2479 PWs) bands (ev): -31.9897 -31.9897 -17.2955 -17.2955 -13.0655 -13.0655 -11.8272 -11.8272 -11.4689 -11.4689 -7.2792 -7.2792 -7.0050 -7.0050 -1.7587 -1.7587 -0.9961 -0.9961 -0.6837 -0.6837 5.9680 5.9680 6.3503 6.3503 6.4031 6.4031 6.9509 6.9509 7.4488 7.4488 7.6436 7.6436 13.2552 13.2552 13.3676 13.3676 13.8648 13.8648 14.5444 14.5444 k = 0.1211-0.2117-0.4034 ( 2483 PWs) bands (ev): -31.9875 -31.9875 -17.2880 -17.2880 -13.0704 -13.0704 -11.8355 -11.8355 -11.4804 -11.4804 -7.2559 -7.2559 -7.0177 -7.0177 -1.7803 -1.7803 -1.0171 -1.0171 -0.7004 -0.7004 6.0006 6.0006 6.3556 6.3556 6.3968 6.3968 6.9257 6.9257 7.4210 7.4210 7.6376 7.6376 13.2411 13.2411 13.4199 13.4199 13.9044 13.9044 14.6164 14.6164 k = 0.1266-0.2213-0.4218 ( 2481 PWs) bands (ev): -31.9853 -31.9853 -17.2804 -17.2804 -13.0757 -13.0757 -11.8439 -11.8439 -11.4915 -11.4915 -7.2332 -7.2332 -7.0300 -7.0300 -1.8030 -1.8030 -1.0376 -1.0376 -0.7170 -0.7170 6.0318 6.0318 6.3596 6.3596 6.3855 6.3855 6.9092 6.9092 7.3926 7.3926 7.6321 7.6321 13.2288 13.2288 13.4596 13.4596 13.9541 13.9541 14.6895 14.6895 k = 0.1321-0.2309-0.4401 ( 2475 PWs) bands (ev): -31.9830 -31.9830 -17.2727 -17.2727 -13.0813 -13.0813 -11.8522 -11.8522 -11.5023 -11.5023 -7.2114 -7.2114 -7.0417 -7.0417 -1.8266 -1.8266 -1.0574 -1.0574 -0.7335 -0.7335 6.0610 6.0610 6.3572 6.3572 6.3747 6.3747 6.9015 6.9015 7.3637 7.3637 7.6271 7.6271 13.2186 13.2186 13.4867 13.4867 14.0134 14.0134 14.7629 14.7629 k = 0.1377-0.2406-0.4584 ( 2475 PWs) bands (ev): -31.9807 -31.9807 -17.2648 -17.2648 -13.0873 -13.0873 -11.8606 -11.8606 -11.5127 -11.5127 -7.1909 -7.1909 -7.0524 -7.0524 -1.8510 -1.8510 -1.0764 -1.0764 -0.7500 -0.7500 6.0872 6.0872 6.3399 6.3399 6.3746 6.3746 6.9018 6.9018 7.3345 7.3345 7.6226 7.6226 13.2104 13.2104 13.5027 13.5027 14.0805 14.0805 14.8128 14.8128 k = 0.1432-0.2502-0.4768 ( 2475 PWs) bands (ev): -31.9784 -31.9784 -17.2569 -17.2569 -13.0936 -13.0936 -11.8687 -11.8687 -11.5227 -11.5227 -7.1727 -7.1727 -7.0612 -7.0612 -1.8760 -1.8760 -1.0948 -1.0948 -0.7664 -0.7664 6.1087 6.1087 6.3180 6.3180 6.3778 6.3778 6.9088 6.9088 7.3051 7.3051 7.6187 7.6187 13.2044 13.2044 13.5100 13.5100 14.1526 14.1526 14.7739 14.7739 k = 0.1487-0.2598-0.4951 ( 2475 PWs) bands (ev): -31.9761 -31.9761 -17.2489 -17.2489 -13.1002 -13.1002 -11.8768 -11.8768 -11.5324 -11.5324 -7.1579 -7.1579 -7.0668 -7.0668 -1.9014 -1.9014 -1.1125 -1.1125 -0.7827 -0.7827 6.1225 6.1225 6.2988 6.2988 6.3814 6.3814 6.9210 6.9210 7.2755 7.2755 7.6154 7.6154 13.2005 13.2005 13.5107 13.5107 14.2274 14.2274 14.7299 14.7299 k = 0.1542-0.2694-0.5134 ( 2475 PWs) bands (ev): -31.9737 -31.9737 -17.2409 -17.2409 -13.1071 -13.1071 -11.8847 -11.8847 -11.5418 -11.5418 -7.1488 -7.1488 -7.0671 -7.0671 -1.9271 -1.9271 -1.1295 -1.1295 -0.7988 -0.7988 6.1244 6.1244 6.2882 6.2882 6.3848 6.3848 6.9372 6.9372 7.2458 7.2458 7.6125 7.6125 13.1988 13.1988 13.5064 13.5064 14.3028 14.3028 14.6883 14.6883 k = 0.1597-0.2790-0.5318 ( 2473 PWs) bands (ev): -31.9714 -31.9714 -17.2329 -17.2329 -13.1142 -13.1142 -11.8923 -11.8923 -11.5509 -11.5509 -7.1463 -7.1463 -7.0610 -7.0610 -1.9530 -1.9530 -1.1461 -1.1461 -0.8148 -0.8148 6.1125 6.1125 6.2892 6.2892 6.3881 6.3881 6.9562 6.9562 7.2163 7.2163 7.6101 7.6101 13.1993 13.1993 13.4987 13.4987 14.3772 14.3772 14.6497 14.6497 k = 0.1652-0.2887-0.5501 ( 2479 PWs) bands (ev): -31.9691 -31.9691 -17.2249 -17.2249 -13.1214 -13.1214 -11.8997 -11.8997 -11.5596 -11.5596 -7.1492 -7.1492 -7.0499 -7.0499 -1.9788 -1.9788 -1.1622 -1.1622 -0.8305 -0.8305 6.0900 6.0900 6.2995 6.2995 6.3912 6.3912 6.9770 6.9770 7.1870 7.1870 7.6081 7.6081 13.2017 13.2017 13.4884 13.4884 14.4493 14.4493 14.6145 14.6145 k = 0.1707-0.2983-0.5685 ( 2479 PWs) bands (ev): -31.9668 -31.9668 -17.2170 -17.2170 -13.1287 -13.1287 -11.9069 -11.9069 -11.5682 -11.5682 -7.1551 -7.1551 -7.0362 -7.0362 -2.0043 -2.0043 -1.1780 -1.1780 -0.8459 -0.8459 6.0618 6.0618 6.3149 6.3149 6.3944 6.3944 6.9987 6.9987 7.1581 7.1581 7.6065 7.6065 13.2063 13.2063 13.4763 13.4763 14.5177 14.5177 14.5831 14.5831 k = 0.1762-0.3079-0.5868 ( 2479 PWs) bands (ev): -31.9645 -31.9645 -17.2092 -17.2092 -13.1361 -13.1361 -11.9138 -11.9138 -11.5764 -11.5764 -7.1623 -7.1623 -7.0215 -7.0215 -2.0295 -2.0295 -1.1936 -1.1936 -0.8610 -0.8610 6.0313 6.0313 6.3323 6.3323 6.3976 6.3976 7.0203 7.0203 7.1300 7.1300 7.6051 7.6051 13.2128 13.2128 13.4630 13.4630 14.5513 14.5513 14.5857 14.5857 k = 0.1817-0.3175-0.6051 ( 2477 PWs) bands (ev): -31.9623 -31.9623 -17.2014 -17.2014 -13.1435 -13.1435 -11.9204 -11.9204 -11.5845 -11.5845 -7.1698 -7.1698 -7.0067 -7.0067 -2.0540 -2.0540 -1.2091 -1.2091 -0.8756 -0.8756 6.0004 6.0004 6.3502 6.3502 6.4009 6.4009 7.0402 7.0402 7.1041 7.1041 7.6040 7.6040 13.2213 13.2213 13.4490 13.4490 14.5280 14.5280 14.6441 14.6441 k = 0.1872-0.3272-0.6235 ( 2477 PWs) bands (ev): -31.9601 -31.9601 -17.1938 -17.1938 -13.1508 -13.1508 -11.9269 -11.9269 -11.5923 -11.5923 -7.1772 -7.1772 -6.9923 -6.9923 -2.0779 -2.0779 -1.2247 -1.2247 -0.8897 -0.8897 5.9704 5.9704 6.3678 6.3678 6.4044 6.4044 7.0502 7.0502 7.0881 7.0881 7.6029 7.6029 13.2316 13.2316 13.4347 13.4347 14.5070 14.5070 14.6982 14.6982 k = 0.1927-0.3368-0.6418 ( 2479 PWs) bands (ev): -31.9580 -31.9580 -17.1863 -17.1863 -13.1581 -13.1581 -11.9330 -11.9330 -11.5999 -11.5999 -7.1841 -7.1841 -6.9787 -6.9787 -2.1009 -2.1009 -1.2404 -1.2404 -0.9033 -0.9033 5.9418 5.9418 6.3846 6.3846 6.4084 6.4084 7.0353 7.0353 7.0967 7.0967 7.6019 7.6019 13.2438 13.2438 13.4205 13.4205 14.4896 14.4896 14.7465 14.7465 k = 0.1982-0.3464-0.6601 ( 2483 PWs) bands (ev): -31.9559 -31.9559 -17.1790 -17.1790 -13.1652 -13.1652 -11.9390 -11.9390 -11.6073 -11.6073 -7.1903 -7.1903 -6.9659 -6.9659 -2.1230 -2.1230 -1.2564 -1.2564 -0.9163 -0.9163 5.9153 5.9153 6.4001 6.4001 6.4129 6.4129 7.0110 7.0110 7.1141 7.1141 7.6008 7.6008 13.2576 13.2576 13.4066 13.4066 14.4761 14.4761 14.7884 14.7884 k = 0.2037-0.3560-0.6785 ( 2487 PWs) bands (ev): -31.9538 -31.9538 -17.1719 -17.1719 -13.1721 -13.1721 -11.9448 -11.9448 -11.6145 -11.6145 -7.1958 -7.1958 -6.9541 -6.9541 -2.1440 -2.1440 -1.2726 -1.2726 -0.9286 -0.9286 5.8910 5.8910 6.4136 6.4136 6.4187 6.4187 6.9856 6.9856 7.1318 7.1318 7.5995 7.5995 13.2730 13.2730 13.3935 13.3935 14.4664 14.4664 14.8235 14.8235 k = 0.2092-0.3656-0.6968 ( 2485 PWs) bands (ev): -31.9519 -31.9519 -17.1650 -17.1650 -13.1787 -13.1787 -11.9504 -11.9504 -11.6216 -11.6216 -7.2005 -7.2005 -6.9434 -6.9434 -2.1638 -2.1638 -1.2893 -1.2893 -0.9403 -0.9403 5.8693 5.8693 6.4220 6.4220 6.4288 6.4288 6.9604 6.9604 7.1485 7.1485 7.5980 7.5980 13.2898 13.2898 13.3815 13.3815 14.4606 14.4606 14.8517 14.8517 k = 0.2147-0.3753-0.7152 ( 2481 PWs) bands (ev): -31.9500 -31.9500 -17.1583 -17.1583 -13.1850 -13.1850 -11.9558 -11.9558 -11.6285 -11.6285 -7.2041 -7.2041 -6.9338 -6.9338 -2.1823 -2.1823 -1.3063 -1.3063 -0.9512 -0.9512 5.8503 5.8503 6.4287 6.4287 6.4400 6.4400 6.9357 6.9357 7.1635 7.1635 7.5961 7.5961 13.3075 13.3075 13.3712 13.3712 14.4588 14.4588 14.8727 14.8727 k = 0.2202-0.3849-0.7335 ( 2485 PWs) bands (ev): -31.9481 -31.9481 -17.1519 -17.1519 -13.1910 -13.1910 -11.9611 -11.9611 -11.6352 -11.6352 -7.2068 -7.2068 -6.9254 -6.9254 -2.1996 -2.1996 -1.3237 -1.3237 -0.9614 -0.9614 5.8342 5.8342 6.4358 6.4358 6.4498 6.4498 6.9117 6.9117 7.1766 7.1766 7.5938 7.5938 13.3243 13.3243 13.3645 13.3645 14.4611 14.4611 14.8864 14.8864 k = 0.2257-0.3945-0.7518 ( 2487 PWs) bands (ev): -31.9464 -31.9464 -17.1457 -17.1457 -13.1967 -13.1967 -11.9662 -11.9662 -11.6417 -11.6417 -7.2085 -7.2085 -6.9181 -6.9181 -2.2154 -2.2154 -1.3416 -1.3416 -0.9709 -0.9709 5.8210 5.8210 6.4439 6.4439 6.4580 6.4580 6.8884 6.8884 7.1876 7.1876 7.5909 7.5909 13.3338 13.3338 13.3678 13.3678 14.4674 14.4674 14.8928 14.8928 k = 0.2313-0.4041-0.7702 ( 2487 PWs) bands (ev): -31.9447 -31.9447 -17.1398 -17.1398 -13.2019 -13.2019 -11.9711 -11.9711 -11.6481 -11.6481 -7.2091 -7.2091 -6.9121 -6.9121 -2.2299 -2.2299 -1.3598 -1.3598 -0.9796 -0.9796 5.8109 5.8109 6.4528 6.4528 6.4645 6.4645 6.8661 6.8661 7.1963 7.1963 7.5875 7.5875 13.3326 13.3326 13.3848 13.3848 14.4778 14.4778 14.8919 14.8919 k = 0.2368-0.4138-0.7885 ( 2485 PWs) bands (ev): -31.9431 -31.9431 -17.1341 -17.1341 -13.2067 -13.2067 -11.9760 -11.9760 -11.6542 -11.6542 -7.2086 -7.2086 -6.9073 -6.9073 -2.2429 -2.2429 -1.3784 -1.3784 -0.9877 -0.9877 5.8039 5.8039 6.4625 6.4625 6.4695 6.4695 6.8446 6.8446 7.2028 7.2028 7.5835 7.5835 13.3284 13.3284 13.4077 13.4077 14.4924 14.4924 14.8837 14.8837 k = 0.2423-0.4234-0.8068 ( 2485 PWs) bands (ev): -31.9416 -31.9416 -17.1288 -17.1288 -13.2111 -13.2111 -11.9807 -11.9807 -11.6602 -11.6602 -7.2070 -7.2070 -6.9037 -6.9037 -2.2544 -2.2544 -1.3972 -1.3972 -0.9952 -0.9952 5.8001 5.8001 6.4701 6.4701 6.4757 6.4757 6.8241 6.8241 7.2068 7.2068 7.5788 7.5788 13.3245 13.3245 13.4333 13.4333 14.5110 14.5110 14.8683 14.8683 k = 0.2478-0.4330-0.8252 ( 2487 PWs) bands (ev): -31.9402 -31.9402 -17.1238 -17.1238 -13.2151 -13.2151 -11.9853 -11.9853 -11.6661 -11.6661 -7.2043 -7.2043 -6.9014 -6.9014 -2.2645 -2.2645 -1.4161 -1.4161 -1.0020 -1.0020 5.7994 5.7994 6.4719 6.4719 6.4870 6.4870 6.8046 6.8046 7.2084 7.2084 7.5733 7.5733 13.3217 13.3217 13.4607 13.4607 14.5338 14.5338 14.8459 14.8459 k = 0.2533-0.4426-0.8435 ( 2483 PWs) bands (ev): -31.9389 -31.9389 -17.1191 -17.1191 -13.2185 -13.2185 -11.9897 -11.9897 -11.6717 -11.6717 -7.2004 -7.2004 -6.9003 -6.9003 -2.2731 -2.2731 -1.4351 -1.4351 -1.0083 -1.0083 5.8019 5.8019 6.4709 6.4709 6.5002 6.5002 6.7862 6.7862 7.2076 7.2076 7.5670 7.5670 13.3203 13.3203 13.4897 13.4897 14.5607 14.5607 14.8168 14.8168 k = 0.2588-0.4523-0.8619 ( 2485 PWs) bands (ev): -31.9376 -31.9376 -17.1147 -17.1147 -13.2216 -13.2216 -11.9940 -11.9940 -11.6771 -11.6771 -7.1956 -7.1956 -6.9005 -6.9005 -2.2803 -2.2803 -1.4540 -1.4540 -1.0140 -1.0140 5.8076 5.8076 6.4679 6.4679 6.5144 6.5144 6.7690 6.7690 7.2044 7.2044 7.5600 7.5600 13.3205 13.3205 13.5202 13.5202 14.5917 14.5917 14.7811 14.7811 k = 0.2643-0.4619-0.8802 ( 2489 PWs) bands (ev): -31.9365 -31.9365 -17.1107 -17.1107 -13.2242 -13.2242 -11.9981 -11.9981 -11.6823 -11.6823 -7.1896 -7.1896 -6.9018 -6.9018 -2.2861 -2.2861 -1.4728 -1.4728 -1.0192 -1.0192 5.8164 5.8164 6.4627 6.4627 6.5297 6.5297 6.7531 6.7531 7.1987 7.1987 7.5521 7.5521 13.3221 13.3221 13.5520 13.5520 14.6266 14.6266 14.7394 14.7394 k = 0.2698-0.4715-0.8985 ( 2491 PWs) bands (ev): -31.9354 -31.9354 -17.1070 -17.1070 -13.2264 -13.2264 -12.0020 -12.0020 -11.6872 -11.6872 -7.1826 -7.1826 -6.9044 -6.9044 -2.2906 -2.2906 -1.4912 -1.4912 -1.0240 -1.0240 5.8283 5.8283 6.4555 6.4555 6.5456 6.5456 6.7387 6.7387 7.1907 7.1907 7.5434 7.5434 13.3251 13.3251 13.5852 13.5852 14.6637 14.6637 14.6938 14.6938 k = 0.2753-0.4811-0.9169 ( 2497 PWs) bands (ev): -31.9345 -31.9345 -17.1036 -17.1036 -13.2283 -13.2283 -12.0057 -12.0057 -11.6919 -11.6919 -7.1747 -7.1747 -6.9081 -6.9081 -2.2939 -2.2939 -1.5091 -1.5091 -1.0284 -1.0284 5.8434 5.8434 6.4462 6.4462 6.5618 6.5618 6.7263 6.7263 7.1805 7.1805 7.5338 7.5338 13.3295 13.3295 13.6197 13.6197 14.6371 14.6371 14.7107 14.7107 k = 0.2808-0.4907-0.9352 ( 2505 PWs) bands (ev): -31.9336 -31.9336 -17.1005 -17.1005 -13.2297 -13.2297 -12.0091 -12.0091 -11.6964 -11.6964 -7.1658 -7.1658 -6.9130 -6.9130 -2.2960 -2.2960 -1.5263 -1.5263 -1.0323 -1.0323 5.8614 5.8614 6.4348 6.4348 6.5775 6.5775 6.7165 6.7165 7.1682 7.1682 7.5235 7.5235 13.3350 13.3350 13.6556 13.6556 14.5800 14.5800 14.7573 14.7573 k = 0.2863-0.5004-0.9535 ( 2501 PWs) bands (ev): -31.9329 -31.9329 -17.0978 -17.0978 -13.2308 -13.2308 -12.0123 -12.0123 -11.7005 -11.7005 -7.1560 -7.1560 -6.9190 -6.9190 -2.2972 -2.2972 -1.5428 -1.5428 -1.0359 -1.0359 5.8824 5.8824 6.4213 6.4213 6.5915 6.5915 6.7106 6.7106 7.1538 7.1538 7.5125 7.5125 13.3413 13.3413 13.6928 13.6928 14.5185 14.5185 14.8083 14.8083 k = 0.2918-0.5100-0.9719 ( 2507 PWs) bands (ev): -31.9322 -31.9322 -17.0955 -17.0955 -13.2317 -13.2317 -12.0152 -12.0152 -11.7044 -11.7044 -7.1455 -7.1455 -6.9260 -6.9260 -2.2974 -2.2974 -1.5583 -1.5583 -1.0391 -1.0391 5.9062 5.9062 6.4057 6.4057 6.6019 6.6019 6.7105 6.7105 7.1376 7.1376 7.5006 7.5006 13.3482 13.3482 13.7313 13.7313 14.4535 14.4535 14.8631 14.8631 k = 0.2973-0.5196-0.9902 ( 2507 PWs) bands (ev): -31.9316 -31.9316 -17.0934 -17.0934 -13.2322 -13.2322 -12.0177 -12.0177 -11.7079 -11.7079 -7.1342 -7.1342 -6.9339 -6.9339 -2.2969 -2.2969 -1.5725 -1.5725 -1.0419 -1.0419 5.9327 5.9327 6.3880 6.3880 6.6070 6.6070 6.7176 6.7176 7.1198 7.1198 7.4882 7.4882 13.3550 13.3550 13.7712 13.7712 14.3861 14.3861 14.9218 14.9218 k = 0.3028-0.5292-1.0086 ( 2507 PWs) bands (ev): -31.9312 -31.9312 -17.0917 -17.0917 -13.2326 -13.2326 -12.0200 -12.0200 -11.7110 -11.7110 -7.1225 -7.1225 -6.9427 -6.9427 -2.2959 -2.2959 -1.5854 -1.5854 -1.0444 -1.0444 5.9617 5.9617 6.3683 6.3683 6.6069 6.6069 6.7319 6.7319 7.1004 7.1004 7.4750 7.4750 13.3612 13.3612 13.8124 13.8124 14.3172 14.3172 14.9841 14.9841 k = 0.3083-0.5389-1.0269 ( 2511 PWs) bands (ev): -31.9308 -31.9308 -17.0902 -17.0902 -13.2328 -13.2328 -12.0218 -12.0218 -11.7138 -11.7138 -7.1105 -7.1105 -6.9521 -6.9521 -2.2945 -2.2945 -1.5968 -1.5968 -1.0465 -1.0465 5.9931 5.9931 6.3467 6.3467 6.6031 6.6031 6.7517 6.7517 7.0798 7.0798 7.4614 7.4614 13.3658 13.3658 13.8549 13.8549 14.2483 14.2483 15.0500 15.0500 k = 0.3138-0.5485-1.0452 ( 2509 PWs) bands (ev): -31.9304 -31.9304 -17.0891 -17.0891 -13.2329 -13.2329 -12.0233 -12.0233 -11.7160 -11.7160 -7.0986 -7.0986 -6.9618 -6.9618 -2.2930 -2.2930 -1.6063 -1.6063 -1.0483 -1.0483 6.0265 6.0265 6.3235 6.3235 6.5972 6.5972 6.7752 6.7752 7.0581 7.0581 7.4472 7.4472 13.3676 13.3676 13.8985 13.8985 14.1808 14.1808 15.1194 15.1194 k = 0.3194-0.5581-1.0636 ( 2509 PWs) bands (ev): -31.9302 -31.9302 -17.0883 -17.0883 -13.2329 -13.2329 -12.0244 -12.0244 -11.7178 -11.7178 -7.0873 -7.0873 -6.9713 -6.9713 -2.2916 -2.2916 -1.6138 -1.6138 -1.0497 -1.0497 6.0613 6.0613 6.2990 6.2990 6.5904 6.5904 6.8014 6.8014 7.0356 7.0356 7.4326 7.4326 13.3649 13.3649 13.9430 13.9430 14.1172 14.1172 15.1921 15.1921 k = 0.3249-0.5677-1.0819 ( 2507 PWs) bands (ev): -31.9301 -31.9301 -17.0877 -17.0877 -13.2328 -13.2328 -12.0252 -12.0252 -11.7191 -11.7191 -7.0777 -7.0777 -6.9794 -6.9794 -2.2904 -2.2904 -1.6192 -1.6192 -1.0508 -1.0508 6.0963 6.0963 6.2744 6.2744 6.5831 6.5831 6.8293 6.8293 7.0125 7.0125 7.4178 7.4178 13.3558 13.3558 13.9857 13.9857 14.0622 14.0622 15.2680 15.2680 k = 0.3304-0.5773-1.1002 ( 2505 PWs) bands (ev): -31.9300 -31.9300 -17.0875 -17.0875 -13.2328 -13.2328 -12.0256 -12.0256 -11.7198 -11.7198 -7.0716 -7.0716 -6.9845 -6.9845 -2.2897 -2.2897 -1.6223 -1.6223 -1.0514 -1.0514 6.1278 6.1278 6.2533 6.2533 6.5758 6.5758 6.8586 6.8586 6.9892 6.9892 7.4027 7.4027 13.3378 13.3378 13.9934 13.9934 14.0516 14.0516 15.3469 15.3469 k = 0.3359-0.5870-1.1186 ( 2501 PWs) bands (ev): -31.9300 -31.9300 -17.0874 -17.0874 -13.2329 -13.2329 -12.0257 -12.0257 -11.7198 -11.7198 -7.0711 -7.0711 -6.9845 -6.9845 -2.2896 -2.2896 -1.6229 -1.6229 -1.0516 -1.0516 6.1451 6.1451 6.2462 6.2462 6.5686 6.5686 6.8889 6.8889 6.9658 6.9658 7.3875 7.3875 13.3089 13.3089 13.9590 13.9590 14.0948 14.0948 15.4288 15.4288 k = 0.3414-0.5966-1.1369 ( 2499 PWs) bands (ev): -31.9301 -31.9301 -17.0877 -17.0877 -13.2330 -13.2330 -12.0255 -12.0255 -11.7192 -11.7192 -7.0770 -7.0770 -6.9786 -6.9786 -2.2904 -2.2904 -1.6210 -1.6210 -1.0514 -1.0514 6.1357 6.1357 6.2653 6.2653 6.5617 6.5617 6.9196 6.9196 6.9430 6.9430 7.3725 7.3725 13.2678 13.2678 13.9310 13.9310 14.1447 14.1447 15.5133 15.5133 k = 0.6586-0.4636-1.0565 ( 2499 PWs) bands (ev): -31.9301 -31.9301 -17.0877 -17.0877 -13.2330 -13.2330 -12.0255 -12.0255 -11.7192 -11.7192 -7.0770 -7.0770 -6.9786 -6.9786 -2.2904 -2.2904 -1.6210 -1.6210 -1.0514 -1.0514 6.1357 6.1357 6.2653 6.2653 6.5617 6.5617 6.9196 6.9196 6.9430 6.9430 7.3725 7.3725 13.2678 13.2678 13.9310 13.9310 14.1447 14.1447 15.5133 15.5133 k = 0.6532-0.4431-1.0565 ( 2497 PWs) bands (ev): -31.9302 -31.9302 -17.0881 -17.0881 -13.2333 -13.2333 -12.0250 -12.0250 -11.7178 -11.7178 -7.0877 -7.0877 -6.9684 -6.9684 -2.2920 -2.2920 -1.6167 -1.6167 -1.0507 -1.0507 6.1092 6.1092 6.3007 6.3007 6.5550 6.5550 6.9202 6.9202 6.9512 6.9512 7.3577 7.3577 13.2151 13.2151 13.9138 13.9138 14.1964 14.1964 15.5998 15.5998 k = 0.6477-0.4225-1.0565 ( 2499 PWs) bands (ev): -31.9304 -31.9304 -17.0887 -17.0887 -13.2337 -13.2337 -12.0243 -12.0243 -11.7157 -11.7157 -7.1017 -7.1017 -6.9553 -6.9553 -2.2946 -2.2946 -1.6099 -1.6099 -1.0495 -1.0495 6.0758 6.0758 6.3421 6.3421 6.5488 6.5488 6.8993 6.8993 6.9823 6.9823 7.3435 7.3435 13.1520 13.1520 13.9065 13.9065 14.2499 14.2499 15.6886 15.6886 k = 0.6422-0.4019-1.0565 ( 2501 PWs) bands (ev): -31.9306 -31.9306 -17.0895 -17.0895 -13.2343 -13.2343 -12.0235 -12.0235 -11.7127 -11.7127 -7.1177 -7.1177 -6.9407 -6.9407 -2.2981 -2.2981 -1.6009 -1.6009 -1.0478 -1.0478 6.0390 6.0390 6.3853 6.3853 6.5430 6.5430 6.8798 6.8798 7.0131 7.0131 7.3300 7.3300 13.0803 13.0803 13.9073 13.9073 14.3048 14.3048 15.7793 15.7793 k = 0.6367-0.3814-1.0565 ( 2503 PWs) bands (ev): -31.9309 -31.9309 -17.0905 -17.0905 -13.2350 -13.2350 -12.0226 -12.0226 -11.7089 -11.7089 -7.1352 -7.1352 -6.9252 -6.9252 -2.3025 -2.3025 -1.5896 -1.5896 -1.0455 -1.0455 6.0000 6.0000 6.4281 6.4281 6.5379 6.5379 6.8629 6.8629 7.0430 7.0430 7.3177 7.3177 13.0022 13.0022 13.9143 13.9143 14.3612 14.3612 15.8716 15.8716 k = 0.6313-0.3608-1.0565 ( 2503 PWs) bands (ev): -31.9312 -31.9312 -17.0917 -17.0917 -13.2360 -13.2360 -12.0216 -12.0216 -11.7043 -11.7043 -7.1536 -7.1536 -6.9092 -6.9092 -2.3078 -2.3078 -1.5764 -1.5764 -1.0426 -1.0426 5.9595 5.9595 6.4679 6.4679 6.5345 6.5345 6.8496 6.8496 7.0714 7.0714 7.3073 7.3073 12.9194 12.9194 13.9256 13.9256 14.4190 14.4190 15.9648 15.9648 k = 0.6258-0.3402-1.0565 ( 2503 PWs) bands (ev): -31.9316 -31.9316 -17.0930 -17.0930 -13.2372 -13.2372 -12.0206 -12.0206 -11.6987 -11.6987 -7.1728 -7.1728 -6.8930 -6.8930 -2.3139 -2.3139 -1.5615 -1.5615 -1.0390 -1.0390 5.9180 5.9180 6.4983 6.4983 6.5371 6.5371 6.8418 6.8418 7.0972 7.0972 7.2998 7.2998 12.8335 12.8335 13.9400 13.9400 14.4782 14.4782 16.0560 16.0560 k = 0.6203-0.3196-1.0565 ( 2499 PWs) bands (ev): -31.9320 -31.9320 -17.0944 -17.0944 -13.2385 -13.2385 -12.0197 -12.0197 -11.6923 -11.6923 -7.1925 -7.1925 -6.8767 -6.8767 -2.3206 -2.3206 -1.5452 -1.5452 -1.0347 -1.0347 5.8756 5.8756 6.5082 6.5082 6.5540 6.5540 6.8417 6.8417 7.1187 7.1187 7.2967 7.2967 12.7455 12.7455 13.9562 13.9562 14.5387 14.5387 16.0597 16.0597 k = 0.6149-0.2991-1.0565 ( 2501 PWs) bands (ev): -31.9324 -31.9324 -17.0959 -17.0959 -13.2401 -13.2401 -12.0188 -12.0188 -11.6851 -11.6851 -7.2125 -7.2125 -6.8604 -6.8604 -2.3279 -2.3279 -1.5279 -1.5279 -1.0296 -1.0296 5.8328 5.8328 6.5069 6.5069 6.5734 6.5734 6.8519 6.8519 7.1344 7.1344 7.2996 7.2996 12.6564 12.6564 13.9733 13.9733 14.6005 14.6005 15.9753 15.9753 k = 0.6094-0.2785-1.0565 ( 2501 PWs) bands (ev): -31.9329 -31.9329 -17.0974 -17.0974 -13.2418 -13.2418 -12.0181 -12.0181 -11.6771 -11.6771 -7.2327 -7.2327 -6.8444 -6.8444 -2.3356 -2.3356 -1.5097 -1.5097 -1.0237 -1.0237 5.7899 5.7899 6.5032 6.5032 6.5850 6.5850 6.8734 6.8734 7.1430 7.1430 7.3096 7.3096 12.5670 12.5670 13.9906 13.9906 14.6636 14.6636 15.8891 15.8891 k = 0.6039-0.2579-1.0565 ( 2497 PWs) bands (ev): -31.9333 -31.9333 -17.0991 -17.0991 -13.2437 -13.2437 -12.0175 -12.0175 -11.6683 -11.6683 -7.2530 -7.2530 -6.8287 -6.8287 -2.3436 -2.3436 -1.4911 -1.4911 -1.0170 -1.0170 5.7470 5.7470 6.4988 6.4988 6.5882 6.5882 6.9050 6.9050 7.1453 7.1453 7.3260 7.3260 12.4780 12.4780 14.0075 14.0075 14.7279 14.7279 15.8047 15.8047 k = 0.5985-0.2374-1.0565 ( 2495 PWs) bands (ev): -31.9338 -31.9338 -17.1007 -17.1007 -13.2457 -13.2457 -12.0170 -12.0170 -11.6589 -11.6589 -7.2733 -7.2733 -6.8133 -6.8133 -2.3517 -2.3517 -1.4723 -1.4723 -1.0094 -1.0094 5.7044 5.7044 6.4943 6.4943 6.5848 6.5848 6.9437 6.9437 7.1431 7.1431 7.3471 7.3471 12.3898 12.3898 14.0235 14.0235 14.7933 14.7933 15.7233 15.7233 k = 0.5930-0.2168-1.0565 ( 2497 PWs) bands (ev): -31.9343 -31.9343 -17.1024 -17.1024 -13.2479 -13.2479 -12.0167 -12.0167 -11.6490 -11.6490 -7.2934 -7.2934 -6.7984 -6.7984 -2.3600 -2.3600 -1.4538 -1.4538 -1.0009 -1.0009 5.6625 5.6625 6.4898 6.4898 6.5773 6.5773 6.9866 6.9866 7.1385 7.1385 7.3708 7.3708 12.3031 12.3031 14.0380 14.0380 14.8598 14.8598 15.6457 15.6457 k = 0.5875-0.1962-1.0565 ( 2496 PWs) bands (ev): -31.9348 -31.9348 -17.1041 -17.1041 -13.2501 -13.2501 -12.0166 -12.0166 -11.6386 -11.6386 -7.3132 -7.3132 -6.7840 -6.7840 -2.3682 -2.3682 -1.4356 -1.4356 -0.9916 -0.9916 5.6214 5.6214 6.4853 6.4853 6.5674 6.5674 7.0306 7.0306 7.1338 7.1338 7.3959 7.3959 12.2182 12.2182 14.0507 14.0507 14.9272 14.9272 15.5725 15.5725 k = 0.5820-0.1756-1.0565 ( 2504 PWs) bands (ev): -31.9353 -31.9353 -17.1058 -17.1058 -13.2524 -13.2524 -12.0166 -12.0166 -11.6279 -11.6279 -7.3326 -7.3326 -6.7701 -6.7701 -2.3763 -2.3763 -1.4182 -1.4182 -0.9814 -0.9814 5.5814 5.5814 6.4809 6.4809 6.5561 6.5561 7.0702 7.0702 7.1340 7.1340 7.4213 7.4213 12.1357 12.1357 14.0613 14.0613 14.9954 14.9954 15.5042 15.5042 k = 0.5766-0.1551-1.0565 ( 2502 PWs) bands (ev): -31.9357 -31.9357 -17.1075 -17.1075 -13.2547 -13.2547 -12.0167 -12.0167 -11.6170 -11.6170 -7.3514 -7.3514 -6.7569 -6.7569 -2.3842 -2.3842 -1.4017 -1.4017 -0.9706 -0.9706 5.5428 5.5428 6.4766 6.4766 6.5444 6.5444 7.0906 7.0906 7.1533 7.1533 7.4465 7.4465 12.0560 12.0560 14.0696 14.0696 15.0643 15.0643 15.4412 15.4412 k = 0.5711-0.1345-1.0565 ( 2502 PWs) bands (ev): -31.9362 -31.9362 -17.1091 -17.1091 -13.2571 -13.2571 -12.0170 -12.0170 -11.6061 -11.6061 -7.3696 -7.3696 -6.7444 -6.7444 -2.3918 -2.3918 -1.3862 -1.3862 -0.9591 -0.9591 5.5057 5.5057 6.4724 6.4724 6.5326 6.5326 7.0910 7.0910 7.1920 7.1920 7.4711 7.4711 11.9796 11.9796 14.0754 14.0754 15.1334 15.1334 15.3839 15.3839 k = 0.5656-0.1139-1.0565 ( 2502 PWs) bands (ev): -31.9366 -31.9366 -17.1107 -17.1107 -13.2594 -13.2594 -12.0173 -12.0173 -11.5953 -11.5953 -7.3870 -7.3870 -6.7327 -6.7327 -2.3990 -2.3990 -1.3719 -1.3719 -0.9472 -0.9472 5.4704 5.4704 6.4683 6.4683 6.5212 6.5212 7.0857 7.0857 7.2354 7.2354 7.4947 7.4947 11.9067 11.9067 14.0787 14.0787 15.2023 15.2023 15.3329 15.3329 k = 0.5602-0.0934-1.0565 ( 2504 PWs) bands (ev): -31.9371 -31.9371 -17.1122 -17.1122 -13.2616 -13.2616 -12.0177 -12.0177 -11.5847 -11.5847 -7.4035 -7.4035 -6.7217 -6.7217 -2.4059 -2.4059 -1.3588 -1.3588 -0.9350 -0.9350 5.4371 5.4371 6.4645 6.4645 6.5102 6.5102 7.0791 7.0791 7.2787 7.2787 7.5171 7.5171 11.8379 11.8379 14.0796 14.0796 15.2637 15.2637 15.2948 15.2948 k = 0.5547-0.0728-1.0565 ( 2500 PWs) bands (ev): -31.9375 -31.9375 -17.1136 -17.1136 -13.2637 -13.2637 -12.0181 -12.0181 -11.5744 -11.5744 -7.4190 -7.4190 -6.7115 -6.7115 -2.4123 -2.4123 -1.3470 -1.3470 -0.9227 -0.9227 5.4060 5.4060 6.4608 6.4608 6.5000 6.5000 7.0725 7.0725 7.3203 7.3203 7.5382 7.5382 11.7735 11.7735 14.0782 14.0782 15.2426 15.2426 15.3442 15.3442 k = 0.5492-0.0522-1.0565 ( 2500 PWs) bands (ev): -31.9379 -31.9379 -17.1149 -17.1149 -13.2658 -13.2658 -12.0186 -12.0186 -11.5647 -11.5647 -7.4334 -7.4334 -6.7022 -6.7022 -2.4182 -2.4182 -1.3366 -1.3366 -0.9107 -0.9107 5.3773 5.3773 6.4572 6.4572 6.4905 6.4905 7.0662 7.0662 7.3595 7.3595 7.5579 7.5579 11.7139 11.7139 14.0749 14.0749 15.2086 15.2086 15.4109 15.4109 k = 0.5438-0.0316-1.0565 ( 2500 PWs) bands (ev): -31.9382 -31.9382 -17.1161 -17.1161 -13.2677 -13.2677 -12.0191 -12.0191 -11.5556 -11.5556 -7.4466 -7.4466 -6.6938 -6.6938 -2.4236 -2.4236 -1.3273 -1.3273 -0.8990 -0.8990 5.3511 5.3511 6.4540 6.4540 6.4820 6.4820 7.0603 7.0603 7.3957 7.3957 7.5759 7.5759 11.6595 11.6595 14.0701 14.0701 15.1790 15.1790 15.4763 15.4763 k = 0.5383-0.0111-1.0565 ( 2500 PWs) bands (ev): -31.9385 -31.9385 -17.1172 -17.1172 -13.2694 -13.2694 -12.0195 -12.0195 -11.5473 -11.5473 -7.4585 -7.4585 -6.6863 -6.6863 -2.4284 -2.4284 -1.3194 -1.3194 -0.8881 -0.8881 5.3276 5.3276 6.4509 6.4509 6.4744 6.4744 7.0551 7.0551 7.4285 7.4285 7.5923 7.5923 11.6105 11.6105 14.0642 14.0642 15.1541 15.1541 15.5391 15.5391 k = 0.5328 0.0095-1.0565 ( 2500 PWs) bands (ev): -31.9388 -31.9388 -17.1182 -17.1182 -13.2709 -13.2709 -12.0200 -12.0200 -11.5399 -11.5399 -7.4690 -7.4690 -6.6798 -6.6798 -2.4326 -2.4326 -1.3126 -1.3126 -0.8780 -0.8780 5.3069 5.3069 6.4480 6.4480 6.4678 6.4678 7.0504 7.0504 7.4576 7.4576 7.6068 7.6068 11.5674 11.5674 14.0577 14.0577 15.1334 15.1334 15.5979 15.5979 k = 0.5273 0.0301-1.0565 ( 2496 PWs) bands (ev): -31.9390 -31.9390 -17.1190 -17.1190 -13.2723 -13.2723 -12.0203 -12.0203 -11.5334 -11.5334 -7.4780 -7.4780 -6.6742 -6.6742 -2.4362 -2.4362 -1.3070 -1.3070 -0.8692 -0.8692 5.2892 5.2892 6.4455 6.4455 6.4624 6.4624 7.0465 7.0465 7.4825 7.4825 7.6195 7.6195 11.5303 11.5303 14.0513 14.0513 15.1167 15.1167 15.6513 15.6513 k = 0.5219 0.0507-1.0565 ( 2498 PWs) bands (ev): -31.9392 -31.9392 -17.1197 -17.1197 -13.2734 -13.2734 -12.0207 -12.0207 -11.5279 -11.5279 -7.4855 -7.4855 -6.6696 -6.6696 -2.4392 -2.4392 -1.3024 -1.3024 -0.8616 -0.8616 5.2746 5.2746 6.4432 6.4432 6.4581 6.4581 7.0432 7.0432 7.5031 7.5031 7.6302 7.6302 11.4996 11.4996 14.0452 14.0452 15.1037 15.1037 15.6975 15.6975 k = 0.5164 0.0712-1.0565 ( 2496 PWs) bands (ev): -31.9394 -31.9394 -17.1203 -17.1203 -13.2743 -13.2743 -12.0209 -12.0209 -11.5236 -11.5236 -7.4913 -7.4913 -6.6660 -6.6660 -2.4416 -2.4416 -1.2989 -1.2989 -0.8555 -0.8555 5.2632 5.2632 6.4412 6.4412 6.4548 6.4548 7.0407 7.0407 7.5192 7.5192 7.6387 7.6387 11.4755 11.4755 14.0400 14.0400 15.0938 15.0938 15.7343 15.7343 k = 0.5109 0.0918-1.0565 ( 2496 PWs) bands (ev): -31.9395 -31.9395 -17.1207 -17.1207 -13.2749 -13.2749 -12.0211 -12.0211 -11.5205 -11.5205 -7.4956 -7.4956 -6.6635 -6.6635 -2.4432 -2.4432 -1.2965 -1.2965 -0.8511 -0.8511 5.2549 5.2549 6.4397 6.4397 6.4525 6.4525 7.0389 7.0389 7.5308 7.5308 7.6449 7.6449 11.4582 11.4582 14.0361 14.0361 15.0870 15.0870 15.7602 15.7602 k = 0.5055 0.1124-1.0565 ( 2498 PWs) bands (ev): -31.9396 -31.9396 -17.1209 -17.1209 -13.2753 -13.2753 -12.0213 -12.0213 -11.5186 -11.5186 -7.4981 -7.4981 -6.6619 -6.6619 -2.4442 -2.4442 -1.2950 -1.2950 -0.8484 -0.8484 5.2499 5.2499 6.4388 6.4388 6.4512 6.4512 7.0378 7.0378 7.5377 7.5377 7.6486 7.6486 11.4477 11.4477 14.0336 14.0336 15.0830 15.0830 15.7746 15.7746 k = 0.5000 0.1329-1.0565 ( 2492 PWs) bands (ev): -31.9396 -31.9396 -17.1210 -17.1210 -13.2754 -13.2754 -12.0213 -12.0213 -11.5180 -11.5180 -7.4990 -7.4990 -6.6614 -6.6614 -2.4446 -2.4446 -1.2945 -1.2945 -0.8475 -0.8475 5.2483 5.2483 6.4384 6.4384 6.4508 6.4508 7.0374 7.0374 7.5401 7.5401 7.6499 7.6499 11.4443 11.4443 14.0327 14.0327 15.0817 15.0817 15.7790 15.7790 k = 0.5000 0.1329-1.0565 ( 2492 PWs) bands (ev): -31.9396 -31.9396 -17.1210 -17.1210 -13.2754 -13.2754 -12.0213 -12.0213 -11.5180 -11.5180 -7.4990 -7.4990 -6.6614 -6.6614 -2.4446 -2.4446 -1.2945 -1.2945 -0.8475 -0.8475 5.2483 5.2483 6.4384 6.4384 6.4508 6.4508 7.0374 7.0374 7.5401 7.5401 7.6499 7.6499 11.4443 11.4443 14.0327 14.0327 15.0817 15.0817 15.7790 15.7790 k = 0.5176 0.1376-1.0476 ( 2496 PWs) bands (ev): -31.9396 -31.9396 -17.1210 -17.1210 -13.2754 -13.2754 -12.0213 -12.0213 -11.5180 -11.5180 -7.4991 -7.4991 -6.6612 -6.6612 -2.4446 -2.4446 -1.2946 -1.2946 -0.8476 -0.8476 5.2496 5.2496 6.4390 6.4390 6.4515 6.4515 7.0361 7.0361 7.5396 7.5396 7.6491 7.6491 11.4458 11.4458 14.0322 14.0322 15.0807 15.0807 15.7781 15.7781 k = 0.5352 0.1423-1.0387 ( 2496 PWs) bands (ev): -31.9396 -31.9396 -17.1211 -17.1211 -13.2753 -13.2753 -12.0212 -12.0212 -11.5180 -11.5180 -7.4996 -7.4996 -6.6605 -6.6605 -2.4448 -2.4448 -1.2948 -1.2948 -0.8478 -0.8478 5.2537 5.2537 6.4407 6.4407 6.4538 6.4538 7.0322 7.0322 7.5382 7.5382 7.6465 7.6465 11.4504 11.4504 14.0305 14.0305 15.0776 15.0776 15.7750 15.7750 k = 0.5529 0.1470-1.0298 ( 2497 PWs) bands (ev): -31.9396 -31.9396 -17.1212 -17.1212 -13.2751 -13.2751 -12.0211 -12.0211 -11.5180 -11.5180 -7.5005 -7.5005 -6.6595 -6.6595 -2.4450 -2.4450 -1.2952 -1.2952 -0.8481 -0.8481 5.2605 5.2605 6.4433 6.4433 6.4578 6.4578 7.0256 7.0256 7.5359 7.5359 7.6422 7.6422 11.4581 11.4581 14.0277 14.0277 15.0724 15.0724 15.7688 15.7688 k = 0.5705 0.1517-1.0208 ( 2501 PWs) bands (ev): -31.9397 -31.9397 -17.1213 -17.1213 -13.2748 -13.2748 -12.0209 -12.0209 -11.5180 -11.5180 -7.5016 -7.5016 -6.6580 -6.6580 -2.4454 -2.4454 -1.2957 -1.2957 -0.8486 -0.8486 5.2698 5.2698 6.4466 6.4466 6.4636 6.4636 7.0166 7.0166 7.5327 7.5327 7.6363 7.6363 11.4688 11.4688 14.0235 14.0235 15.0647 15.0647 15.7579 15.7579 k = 0.5881 0.1564-1.0119 ( 2500 PWs) bands (ev): -31.9397 -31.9397 -17.1215 -17.1215 -13.2745 -13.2745 -12.0207 -12.0207 -11.5181 -11.5181 -7.5030 -7.5030 -6.6561 -6.6561 -2.4458 -2.4458 -1.2964 -1.2964 -0.8492 -0.8492 5.2818 5.2818 6.4505 6.4505 6.4712 6.4712 7.0051 7.0051 7.5286 7.5286 7.6288 7.6288 11.4826 11.4826 14.0178 14.0178 15.0544 15.0544 15.7412 15.7412 k = 0.6057 0.1611-1.0030 ( 2502 PWs) bands (ev): -31.9398 -31.9398 -17.1218 -17.1218 -13.2741 -13.2741 -12.0205 -12.0205 -11.5181 -11.5181 -7.5046 -7.5046 -6.6540 -6.6540 -2.4462 -2.4462 -1.2971 -1.2971 -0.8499 -0.8499 5.2961 5.2961 6.4550 6.4550 6.4806 6.4806 6.9914 6.9914 7.5236 7.5236 7.6199 7.6199 11.4993 11.4993 14.0104 14.0104 15.0412 15.0412 15.7198 15.7198 k = 0.6234 0.1657-0.9940 ( 2501 PWs) bands (ev): -31.9399 -31.9399 -17.1221 -17.1221 -13.2736 -13.2736 -12.0201 -12.0201 -11.5181 -11.5181 -7.5065 -7.5065 -6.6515 -6.6515 -2.4467 -2.4467 -1.2980 -1.2980 -0.8506 -0.8506 5.3128 5.3128 6.4599 6.4599 6.4917 6.4917 6.9754 6.9754 7.5177 7.5177 7.6096 7.6096 11.5190 11.5190 14.0009 14.0009 15.0247 15.0247 15.6960 15.6960 k = 0.6410 0.1704-0.9851 ( 2500 PWs) bands (ev): -31.9399 -31.9399 -17.1224 -17.1224 -13.2730 -13.2730 -12.0198 -12.0198 -11.5181 -11.5181 -7.5085 -7.5085 -6.6489 -6.6489 -2.4471 -2.4471 -1.2990 -1.2990 -0.8515 -0.8515 5.3318 5.3318 6.4655 6.4655 6.5042 6.5042 6.9575 6.9575 7.5108 7.5108 7.5980 7.5980 11.5415 11.5415 13.9890 13.9890 15.0051 15.0051 15.6722 15.6722 k = 0.6586 0.1751-0.9762 ( 2500 PWs) bands (ev): -31.9400 -31.9400 -17.1228 -17.1228 -13.2724 -13.2724 -12.0194 -12.0194 -11.5182 -11.5182 -7.5107 -7.5107 -6.6460 -6.6460 -2.4475 -2.4475 -1.3000 -1.3000 -0.8524 -0.8524 5.3527 5.3527 6.4715 6.4715 6.5179 6.5179 6.9380 6.9380 7.5031 7.5031 7.5854 7.5854 11.5669 11.5669 13.9744 13.9744 14.9824 14.9824 15.6503 15.6503 k = 0.6586 0.1751-0.9762 ( 2500 PWs) bands (ev): -31.9400 -31.9400 -17.1228 -17.1228 -13.2724 -13.2724 -12.0194 -12.0194 -11.5182 -11.5182 -7.5107 -7.5107 -6.6460 -6.6460 -2.4475 -2.4475 -1.3000 -1.3000 -0.8524 -0.8524 5.3527 5.3527 6.4715 6.4715 6.5179 6.5179 6.9380 6.9380 7.5031 7.5031 7.5854 7.5854 11.5669 11.5669 13.9744 13.9744 14.9824 14.9824 15.6503 15.6503 k = 0.6554 0.1743-0.9550 ( 2502 PWs) bands (ev): -31.9405 -31.9405 -17.1243 -17.1243 -13.2701 -13.2701 -12.0183 -12.0183 -11.5186 -11.5186 -7.5063 -7.5063 -6.6506 -6.6506 -2.4420 -2.4420 -1.2984 -1.2984 -0.8512 -0.8512 5.3593 5.3593 6.4699 6.4699 6.5327 6.5327 6.9109 6.9109 7.5074 7.5074 7.5951 7.5951 11.5649 11.5649 13.9846 13.9846 14.9785 14.9785 15.6334 15.6334 k = 0.6523 0.1734-0.9339 ( 2504 PWs) bands (ev): -31.9410 -31.9410 -17.1262 -17.1262 -13.2670 -13.2670 -12.0167 -12.0167 -11.5191 -11.5191 -7.5007 -7.5007 -6.6565 -6.6565 -2.4344 -2.4344 -1.2963 -1.2963 -0.8497 -0.8497 5.3680 5.3680 6.4687 6.4687 6.5488 6.5488 6.8822 6.8822 7.5108 7.5108 7.6044 7.6044 11.5660 11.5660 13.9936 13.9936 14.9731 14.9731 15.6158 15.6158 k = 0.6491 0.1726-0.9128 ( 2506 PWs) bands (ev): -31.9417 -31.9417 -17.1287 -17.1287 -13.2632 -13.2632 -12.0148 -12.0148 -11.5198 -11.5198 -7.4939 -7.4939 -6.6637 -6.6637 -2.4248 -2.4248 -1.2936 -1.2936 -0.8479 -0.8479 5.3786 5.3786 6.4678 6.4678 6.5660 6.5660 6.8522 6.8522 7.5135 7.5135 7.6131 7.6131 11.5704 11.5704 14.0011 14.0011 14.9662 14.9662 15.5976 15.5976 k = 0.6459 0.1717-0.8916 ( 2506 PWs) bands (ev): -31.9425 -31.9425 -17.1316 -17.1316 -13.2587 -13.2587 -12.0125 -12.0125 -11.5205 -11.5205 -7.4860 -7.4860 -6.6723 -6.6723 -2.4132 -2.4132 -1.2905 -1.2905 -0.8457 -0.8457 5.3912 5.3912 6.4674 6.4674 6.5842 6.5842 6.8209 6.8209 7.5155 7.5155 7.6215 7.6215 11.5780 11.5780 14.0069 14.0069 14.9576 14.9576 15.5790 15.5790 k = 0.6428 0.1709-0.8705 ( 2500 PWs) bands (ev): -31.9435 -31.9435 -17.1350 -17.1350 -13.2535 -13.2535 -12.0098 -12.0098 -11.5213 -11.5213 -7.4770 -7.4770 -6.6821 -6.6821 -2.3996 -2.3996 -1.2868 -1.2868 -0.8432 -0.8432 5.4055 5.4055 6.4672 6.4672 6.6034 6.6034 6.7886 6.7886 7.5169 7.5169 7.6294 7.6294 11.5888 11.5888 14.0108 14.0108 14.9473 14.9473 15.5601 15.5601 k = 0.6396 0.1701-0.8494 ( 2504 PWs) bands (ev): -31.9445 -31.9445 -17.1388 -17.1388 -13.2476 -13.2476 -12.0066 -12.0066 -11.5221 -11.5221 -7.4670 -7.4670 -6.6933 -6.6933 -2.3841 -2.3841 -1.2826 -1.2826 -0.8403 -0.8403 5.4214 5.4214 6.4674 6.4674 6.6234 6.6234 6.7554 6.7554 7.5178 7.5178 7.6370 7.6370 11.6028 11.6028 14.0128 14.0128 14.9350 14.9350 15.5407 15.5407 k = 0.6364 0.1692-0.8283 ( 2506 PWs) bands (ev): -31.9457 -31.9457 -17.1431 -17.1431 -13.2412 -13.2412 -12.0031 -12.0031 -11.5229 -11.5229 -7.4560 -7.4560 -6.7057 -6.7057 -2.3667 -2.3667 -1.2779 -1.2779 -0.8370 -0.8370 5.4389 5.4389 6.4678 6.4678 6.6436 6.6436 6.7219 6.7219 7.5182 7.5182 7.6442 7.6442 11.6200 11.6200 14.0127 14.0127 14.9208 14.9208 15.5203 15.5203 k = 0.6332 0.1684-0.8071 ( 2506 PWs) bands (ev): -31.9470 -31.9470 -17.1477 -17.1477 -13.2342 -13.2342 -11.9991 -11.9991 -11.5236 -11.5236 -7.4440 -7.4440 -6.7194 -6.7194 -2.3474 -2.3474 -1.2726 -1.2726 -0.8333 -0.8333 5.4577 5.4577 6.4684 6.4684 6.6609 6.6609 6.6915 6.6915 7.5183 7.5183 7.6511 7.6511 11.6402 11.6402 14.0104 14.0104 14.9044 14.9044 15.4975 15.4975 k = 0.6301 0.1675-0.7860 ( 2504 PWs) bands (ev): -31.9484 -31.9484 -17.1527 -17.1527 -13.2267 -13.2267 -11.9947 -11.9947 -11.5243 -11.5243 -7.4313 -7.4313 -6.7342 -6.7342 -2.3264 -2.3264 -1.2668 -1.2668 -0.8293 -0.8293 5.4777 5.4777 6.4692 6.4692 6.6457 6.6457 6.6939 6.6939 7.5179 7.5179 7.6577 7.6577 11.6635 11.6635 14.0061 14.0061 14.8857 14.8857 15.4689 15.4689 k = 0.6269 0.1667-0.7649 ( 2506 PWs) bands (ev): -31.9499 -31.9499 -17.1582 -17.1582 -13.2188 -13.2188 -11.9899 -11.9899 -11.5249 -11.5249 -7.4178 -7.4178 -6.7501 -6.7501 -2.3037 -2.3037 -1.2604 -1.2604 -0.8249 -0.8249 5.4987 5.4987 6.4700 6.4700 6.6118 6.6118 6.7150 6.7150 7.5174 7.5174 7.6640 7.6640 11.6898 11.6898 13.9996 13.9996 14.8645 14.8645 15.4309 15.4309 k = 0.6237 0.1658-0.7437 ( 2499 PWs) bands (ev): -31.9516 -31.9516 -17.1639 -17.1639 -13.2105 -13.2105 -11.9846 -11.9846 -11.5253 -11.5253 -7.4036 -7.4036 -6.7670 -6.7670 -2.2794 -2.2794 -1.2535 -1.2535 -0.8200 -0.8200 5.5207 5.5207 6.4709 6.4709 6.5765 6.5765 6.7381 6.7381 7.5166 7.5166 7.6701 7.6701 11.7190 11.7190 13.9913 13.9913 14.8405 14.8405 15.3848 15.3848 k = 0.6206 0.1650-0.7226 ( 2501 PWs) bands (ev): -31.9533 -31.9533 -17.1700 -17.1700 -13.2018 -13.2018 -11.9789 -11.9789 -11.5256 -11.5256 -7.3890 -7.3890 -6.7848 -6.7848 -2.2537 -2.2537 -1.2459 -1.2459 -0.8148 -0.8148 5.5434 5.5434 6.4717 6.4717 6.5408 6.5408 6.7620 6.7620 7.5158 7.5158 7.6759 7.6759 11.7511 11.7511 13.9811 13.9811 14.8134 14.8134 15.3338 15.3338 k = 0.6174 0.1642-0.7015 ( 2491 PWs) bands (ev): -31.9551 -31.9551 -17.1764 -17.1764 -13.1929 -13.1929 -11.9727 -11.9727 -11.5255 -11.5255 -7.3741 -7.3741 -6.8034 -6.8034 -2.2267 -2.2267 -1.2377 -1.2377 -0.8092 -0.8092 5.5667 5.5667 6.4722 6.4722 6.5054 6.5054 6.7863 6.7863 7.5149 7.5149 7.6815 7.6815 11.7859 11.7859 13.9693 13.9693 14.7831 14.7831 15.2799 15.2799 k = 0.6142 0.1633-0.6803 ( 2486 PWs) bands (ev): -31.9570 -31.9570 -17.1830 -17.1830 -13.1838 -13.1838 -11.9660 -11.9660 -11.5252 -11.5252 -7.3589 -7.3589 -6.8226 -6.8226 -2.1984 -2.1984 -1.2289 -1.2289 -0.8031 -0.8031 5.5904 5.5904 6.4668 6.4668 6.4760 6.4760 6.8110 6.8110 7.5141 7.5141 7.6867 7.6867 11.8233 11.8233 13.9563 13.9563 14.7494 14.7494 15.2239 15.2239 k = 0.6110 0.1625-0.6592 ( 2491 PWs) bands (ev): -31.9589 -31.9589 -17.1900 -17.1900 -13.1745 -13.1745 -11.9589 -11.9589 -11.5246 -11.5246 -7.3439 -7.3439 -6.8421 -6.8421 -2.1691 -2.1691 -1.2195 -1.2195 -0.7967 -0.7967 5.6144 5.6144 6.4341 6.4341 6.4741 6.4741 6.8360 6.8360 7.5134 7.5134 7.6916 7.6916 11.8633 11.8633 13.9421 13.9421 14.7121 14.7121 15.1664 15.1664 k = 0.6079 0.1616-0.6381 ( 2483 PWs) bands (ev): -31.9609 -31.9609 -17.1971 -17.1971 -13.1652 -13.1652 -11.9514 -11.9514 -11.5236 -11.5236 -7.3292 -7.3292 -6.8617 -6.8617 -2.1389 -2.1389 -1.2093 -1.2093 -0.7898 -0.7898 5.6384 5.6384 6.4001 6.4001 6.4740 6.4740 6.8613 6.8613 7.5129 7.5129 7.6960 7.6960 11.9058 11.9058 13.9271 13.9271 14.6712 14.6712 15.1079 15.1079 k = 0.6047 0.1608-0.6169 ( 2483 PWs) bands (ev): -31.9630 -31.9630 -17.2044 -17.2044 -13.1559 -13.1559 -11.9434 -11.9434 -11.5222 -11.5222 -7.3153 -7.3153 -6.8811 -6.8811 -2.1080 -2.1080 -1.1984 -1.1984 -0.7826 -0.7826 5.6625 5.6625 6.3667 6.3667 6.4735 6.4735 6.8868 6.8868 7.5128 7.5128 7.6998 7.6998 11.9505 11.9505 13.9117 13.9117 14.6268 14.6268 15.0487 15.0487 k = 0.6015 0.1599-0.5958 ( 2482 PWs) bands (ev): -31.9652 -31.9652 -17.2120 -17.2120 -13.1466 -13.1466 -11.9350 -11.9350 -11.5204 -11.5204 -7.3026 -7.3026 -6.8997 -6.8997 -2.0766 -2.0766 -1.1867 -1.1867 -0.7749 -0.7749 5.6863 5.6863 6.3342 6.3342 6.4728 6.4728 6.9125 6.9125 7.5130 7.5130 7.7030 7.7030 11.9974 11.9974 13.8961 13.8961 14.5791 14.5791 14.9891 14.9891 k = 0.5983 0.1591-0.5747 ( 2482 PWs) bands (ev): -31.9673 -31.9673 -17.2196 -17.2196 -13.1374 -13.1374 -11.9262 -11.9262 -11.5181 -11.5181 -7.2916 -7.2916 -6.9171 -6.9171 -2.0449 -2.0449 -1.1742 -1.1742 -0.7668 -0.7668 5.7097 5.7097 6.3029 6.3029 6.4715 6.4715 6.9385 6.9385 7.5136 7.5136 7.7053 7.7053 12.0463 12.0463 13.8804 13.8804 14.5285 14.5285 14.9293 14.9293 k = 0.5952 0.1582-0.5536 ( 2482 PWs) bands (ev): -31.9696 -31.9696 -17.2274 -17.2274 -13.1285 -13.1285 -11.9170 -11.9170 -11.5152 -11.5152 -7.2830 -7.2830 -6.9325 -6.9325 -2.0132 -2.0132 -1.1608 -1.1608 -0.7584 -0.7584 5.7327 5.7327 6.2727 6.2727 6.4697 6.4697 6.9647 6.9647 7.5147 7.5147 7.7067 7.7067 12.0970 12.0970 13.8651 13.8651 14.4753 14.4753 14.8696 14.8696 k = 0.5920 0.1574-0.5324 ( 2484 PWs) bands (ev): -31.9718 -31.9718 -17.2352 -17.2352 -13.1197 -13.1197 -11.9076 -11.9076 -11.5117 -11.5117 -7.2777 -7.2777 -6.9452 -6.9452 -1.9815 -1.9815 -1.1465 -1.1465 -0.7495 -0.7495 5.7551 5.7551 6.2439 6.2439 6.4673 6.4673 6.9913 6.9913 7.5163 7.5163 7.7069 7.7069 12.1494 12.1494 13.8502 13.8502 14.4200 14.4200 14.8101 14.8101 k = 0.5888 0.1566-0.5113 ( 2488 PWs) bands (ev): -31.9741 -31.9741 -17.2432 -17.2432 -13.1112 -13.1112 -11.8978 -11.8978 -11.5076 -11.5076 -7.2763 -7.2763 -6.9544 -6.9544 -1.9503 -1.9503 -1.1312 -1.1312 -0.7401 -0.7401 5.7768 5.7768 6.2166 6.2166 6.4643 6.4643 7.0181 7.0181 7.5186 7.5186 7.7057 7.7057 12.2033 12.2033 13.8359 13.8359 14.3630 14.3630 14.7511 14.7511 k = 0.5857 0.1557-0.4902 ( 2488 PWs) bands (ev): -31.9764 -31.9764 -17.2511 -17.2511 -13.1031 -13.1031 -11.8878 -11.8878 -11.5029 -11.5029 -7.2794 -7.2794 -6.9594 -6.9594 -1.9196 -1.9196 -1.1150 -1.1150 -0.7304 -0.7304 5.7977 5.7977 6.1908 6.1908 6.4607 6.4607 7.0452 7.0452 7.5214 7.5214 7.7031 7.7031 12.2585 12.2585 13.8223 13.8223 14.3049 14.3049 14.6927 14.6927 k = 0.5825 0.1549-0.4690 ( 2490 PWs) bands (ev): -31.9787 -31.9787 -17.2591 -17.2591 -13.0953 -13.0953 -11.8776 -11.8776 -11.4975 -11.4975 -7.2873 -7.2873 -6.9602 -6.9602 -1.8898 -1.8898 -1.0978 -1.0978 -0.7202 -0.7202 5.8177 5.8177 6.1666 6.1666 6.4565 6.4565 7.0727 7.0727 7.5249 7.5249 7.6988 7.6988 12.3147 12.3147 13.8095 13.8095 14.2461 14.2461 14.6351 14.6351 k = 0.5793 0.1540-0.4479 ( 2491 PWs) bands (ev): -31.9809 -31.9809 -17.2670 -17.2670 -13.0879 -13.0879 -11.8673 -11.8673 -11.4914 -11.4914 -7.2998 -7.2998 -6.9568 -6.9568 -1.8610 -1.8610 -1.0796 -1.0796 -0.7096 -0.7096 5.8369 5.8369 6.1442 6.1442 6.4517 6.4517 7.1005 7.1005 7.5290 7.5290 7.6926 7.6926 12.3719 12.3719 13.7973 13.7973 14.1874 14.1874 14.5785 14.5785 k = 0.5761 0.1532-0.4268 ( 2493 PWs) bands (ev): -31.9832 -31.9832 -17.2748 -17.2748 -13.0809 -13.0809 -11.8569 -11.8569 -11.4845 -11.4845 -7.3162 -7.3162 -6.9497 -6.9497 -1.8334 -1.8334 -1.0604 -1.0604 -0.6986 -0.6986 5.8552 5.8552 6.1236 6.1236 6.4463 6.4463 7.1285 7.1285 7.5337 7.5337 7.6844 7.6844 12.4296 12.4296 13.7857 13.7857 14.1294 14.1294 14.5230 14.5230 k = 0.5730 0.1523-0.4056 ( 2489 PWs) bands (ev): -31.9855 -31.9855 -17.2826 -17.2826 -13.0743 -13.0743 -11.8466 -11.8466 -11.4770 -11.4770 -7.3359 -7.3359 -6.9398 -6.9398 -1.8072 -1.8072 -1.0404 -1.0404 -0.6871 -0.6871 5.8726 5.8726 6.1048 6.1048 6.4404 6.4404 7.1568 7.1568 7.5390 7.5390 7.6742 7.6742 12.4877 12.4877 13.7744 13.7744 14.0726 14.0726 14.4687 14.4687 k = 0.5698 0.1515-0.3845 ( 2491 PWs) bands (ev): -31.9877 -31.9877 -17.2903 -17.2903 -13.0682 -13.0682 -11.8364 -11.8364 -11.4686 -11.4686 -7.3582 -7.3582 -6.9276 -6.9276 -1.7824 -1.7824 -1.0196 -1.0196 -0.6751 -0.6751 5.8890 5.8890 6.0881 6.0881 6.4339 6.4339 7.1851 7.1851 7.5447 7.5447 7.6619 7.6619 12.5459 12.5459 13.7630 13.7630 14.0180 14.0180 14.4159 14.4159 k = 0.5666 0.1507-0.3634 ( 2497 PWs) bands (ev): -31.9899 -31.9899 -17.2978 -17.2978 -13.0625 -13.0625 -11.8264 -11.8264 -11.4596 -11.4596 -7.3823 -7.3823 -6.9138 -6.9138 -1.7593 -1.7593 -0.9982 -0.9982 -0.6626 -0.6626 5.9044 5.9044 6.0734 6.0734 6.4270 6.4270 7.2134 7.2134 7.5509 7.5509 7.6476 7.6476 12.6039 12.6039 13.7506 13.7506 13.9667 13.9667 14.3645 14.3645 k = 0.5634 0.1498-0.3422 ( 2492 PWs) bands (ev): -31.9920 -31.9920 -17.3052 -17.3052 -13.0573 -13.0573 -11.8167 -11.8167 -11.4498 -11.4498 -7.4077 -7.4077 -6.8988 -6.8988 -1.7379 -1.7379 -0.9764 -0.9764 -0.6496 -0.6496 5.9186 5.9186 6.0611 6.0611 6.4197 6.4197 7.2413 7.2413 7.5574 7.5574 7.6314 7.6314 12.6613 12.6613 13.7363 13.7363 13.9200 13.9200 14.3148 14.3148 k = 0.5603 0.1490-0.3211 ( 2494 PWs) bands (ev): -31.9941 -31.9941 -17.3124 -17.3124 -13.0525 -13.0525 -11.8072 -11.8072 -11.4395 -11.4395 -7.4339 -7.4339 -6.8832 -6.8832 -1.7181 -1.7181 -0.9543 -0.9543 -0.6360 -0.6360 5.9314 5.9314 6.0515 6.0515 6.4120 6.4120 7.2686 7.2686 7.5636 7.5636 7.6140 7.6140 12.7178 12.7178 13.7186 13.7186 13.8797 13.8797 14.2668 14.2668 k = 0.5571 0.1481-0.3000 ( 2492 PWs) bands (ev): -31.9961 -31.9961 -17.3193 -17.3193 -13.0482 -13.0482 -11.7982 -11.7982 -11.4285 -11.4285 -7.4607 -7.4607 -6.8673 -6.8673 -1.7001 -1.7001 -0.9322 -0.9322 -0.6219 -0.6219 5.9422 5.9422 6.0453 6.0453 6.4041 6.4041 7.2946 7.2946 7.5677 7.5677 7.5977 7.5977 12.7728 12.7728 13.6964 13.6964 13.8473 13.8473 14.2207 14.2207 k = 0.5539 0.1473-0.2789 ( 2494 PWs) bands (ev): -31.9981 -31.9981 -17.3260 -17.3260 -13.0442 -13.0442 -11.7896 -11.7896 -11.4170 -11.4170 -7.4875 -7.4875 -6.8512 -6.8512 -1.6837 -1.6837 -0.9105 -0.9105 -0.6071 -0.6071 5.9501 5.9501 6.0434 6.0434 6.3960 6.3960 7.3184 7.3184 7.5622 7.5622 7.5907 7.5907 12.8259 12.8259 13.6699 13.6699 13.8228 13.8228 14.1765 14.1765 k = 0.5508 0.1464-0.2577 ( 2490 PWs) bands (ev): -32.0000 -32.0000 -17.3325 -17.3325 -13.0407 -13.0407 -11.7814 -11.7814 -11.4051 -11.4051 -7.5142 -7.5142 -6.8353 -6.8353 -1.6689 -1.6689 -0.8893 -0.8893 -0.5919 -0.5919 5.9545 5.9545 6.0465 6.0465 6.3878 6.3878 7.3387 7.3387 7.5468 7.5468 7.5947 7.5947 12.8762 12.8762 13.6412 13.6412 13.8048 13.8048 14.1344 14.1344 k = 0.5476 0.1456-0.2366 ( 2486 PWs) bands (ev): -32.0018 -32.0018 -17.3387 -17.3387 -13.0376 -13.0376 -11.7737 -11.7737 -11.3928 -11.3928 -7.5404 -7.5404 -6.8197 -6.8197 -1.6556 -1.6556 -0.8688 -0.8688 -0.5761 -0.5761 5.9556 5.9556 6.0546 6.0546 6.3796 6.3796 7.3527 7.3527 7.5318 7.5318 7.6017 7.6017 12.9230 12.9230 13.6129 13.6129 13.7912 13.7912 14.0943 14.0943 k = 0.5444 0.1448-0.2155 ( 2484 PWs) bands (ev): -32.0035 -32.0035 -17.3446 -17.3446 -13.0348 -13.0348 -11.7666 -11.7666 -11.3805 -11.3805 -7.5661 -7.5661 -6.8045 -6.8045 -1.6438 -1.6438 -0.8494 -0.8494 -0.5599 -0.5599 5.9542 5.9542 6.0667 6.0667 6.3715 6.3715 7.3568 7.3568 7.5232 7.5232 7.6095 7.6095 12.9652 12.9652 13.5878 13.5878 13.7802 13.7802 14.0565 14.0565 k = 0.5412 0.1439-0.1943 ( 2488 PWs) bands (ev): -32.0052 -32.0052 -17.3502 -17.3502 -13.0323 -13.0323 -11.7599 -11.7599 -11.3681 -11.3681 -7.5909 -7.5909 -6.7899 -6.7899 -1.6333 -1.6333 -0.8312 -0.8312 -0.5434 -0.5434 5.9513 5.9513 6.0819 6.0819 6.3635 6.3635 7.3486 7.3486 7.5239 7.5239 7.6175 7.6175 13.0017 13.0017 13.5677 13.5677 13.7708 13.7708 14.0210 14.0210 k = 0.5381 0.1431-0.1732 ( 2490 PWs) bands (ev): -32.0067 -32.0067 -17.3554 -17.3554 -13.0302 -13.0302 -11.7538 -11.7538 -11.3558 -11.3558 -7.6147 -7.6147 -6.7760 -6.7760 -1.6240 -1.6240 -0.8144 -0.8144 -0.5268 -0.5268 5.9478 5.9478 6.0993 6.0993 6.3557 6.3557 7.3294 7.3294 7.5330 7.5330 7.6256 7.6256 13.0312 13.0312 13.5544 13.5544 13.7624 13.7624 13.9878 13.9878 k = 0.5349 0.1422-0.1521 ( 2488 PWs) bands (ev): -32.0082 -32.0082 -17.3603 -17.3603 -13.0283 -13.0283 -11.7483 -11.7483 -11.3437 -11.3437 -7.6373 -7.6373 -6.7630 -6.7630 -1.6159 -1.6159 -0.7989 -0.7989 -0.5102 -0.5102 5.9440 5.9440 6.1185 6.1185 6.3483 6.3483 7.3026 7.3026 7.5472 7.5472 7.6336 7.6336 13.0529 13.0529 13.5486 13.5486 13.7548 13.7548 13.9571 13.9571 k = 0.5317 0.1414-0.1309 ( 2486 PWs) bands (ev): -32.0095 -32.0095 -17.3648 -17.3648 -13.0267 -13.0267 -11.7432 -11.7432 -11.3321 -11.3321 -7.6585 -7.6585 -6.7507 -6.7507 -1.6088 -1.6088 -0.7849 -0.7849 -0.4939 -0.4939 5.9402 5.9402 6.1390 6.1390 6.3413 6.3413 7.2713 7.2713 7.5635 7.5635 7.6414 7.6414 13.0668 13.0668 13.5502 13.5502 13.7482 13.7482 13.9289 13.9289 k = 0.5286 0.1405-0.1098 ( 2485 PWs) bands (ev): -32.0107 -32.0107 -17.3689 -17.3689 -13.0254 -13.0254 -11.7387 -11.7387 -11.3210 -11.3210 -7.6782 -7.6782 -6.7395 -6.7395 -1.6027 -1.6027 -0.7724 -0.7724 -0.4782 -0.4782 5.9366 5.9366 6.1604 6.1604 6.3347 6.3347 7.2377 7.2377 7.5802 7.5802 7.6490 7.6490 13.0735 13.0735 13.5577 13.5577 13.7431 13.7431 13.9032 13.9032 k = 0.5254 0.1397-0.0887 ( 2487 PWs) bands (ev): -32.0118 -32.0118 -17.3726 -17.3726 -13.0242 -13.0242 -11.7346 -11.7346 -11.3107 -11.3107 -7.6962 -7.6962 -6.7293 -6.7293 -1.5975 -1.5975 -0.7614 -0.7614 -0.4632 -0.4632 5.9333 5.9333 6.1824 6.1824 6.3286 6.3286 7.2031 7.2031 7.5963 7.5963 7.6563 7.6563 13.0744 13.0744 13.5689 13.5689 13.7403 13.7403 13.8802 13.8802 k = 0.5222 0.1388-0.0675 ( 2477 PWs) bands (ev): -32.0128 -32.0128 -17.3759 -17.3759 -13.0232 -13.0232 -11.7311 -11.7311 -11.3011 -11.3011 -7.7125 -7.7125 -6.7201 -6.7201 -1.5931 -1.5931 -0.7518 -0.7518 -0.4494 -0.4494 5.9303 5.9303 6.2045 6.2045 6.3232 6.3232 7.1688 7.1688 7.6109 7.6109 7.6634 7.6634 13.0714 13.0714 13.5809 13.5809 13.7405 13.7405 13.8598 13.8598 k = 0.5190 0.1380-0.0464 ( 2481 PWs) bands (ev): -32.0137 -32.0137 -17.3788 -17.3788 -13.0225 -13.0225 -11.7281 -11.7281 -11.2926 -11.2926 -7.7269 -7.7269 -6.7120 -6.7120 -1.5893 -1.5893 -0.7436 -0.7436 -0.4369 -0.4369 5.9276 5.9276 6.2261 6.2261 6.3184 6.3184 7.1358 7.1358 7.6237 7.6237 7.6702 7.6702 13.0661 13.0661 13.5912 13.5912 13.7445 13.7445 13.8422 13.8422 k = 0.5159 0.1372-0.0253 ( 2477 PWs) bands (ev): -32.0144 -32.0144 -17.3813 -17.3813 -13.0218 -13.0218 -11.7255 -11.7255 -11.2852 -11.2852 -7.7392 -7.7392 -6.7052 -6.7052 -1.5863 -1.5863 -0.7367 -0.7367 -0.4258 -0.4258 5.9253 5.9253 6.2465 6.2465 6.3143 6.3143 7.1051 7.1051 7.6343 7.6343 7.6766 7.6766 13.0598 13.0598 13.5985 13.5985 13.7518 13.7518 13.8275 13.8275 k = 0.5127 0.1363-0.0042 ( 2479 PWs) bands (ev): -32.0150 -32.0150 -17.3833 -17.3833 -13.0213 -13.0213 -11.7234 -11.7234 -11.2789 -11.2789 -7.7494 -7.7494 -6.6995 -6.6995 -1.5839 -1.5839 -0.7312 -0.7312 -0.4166 -0.4166 5.9234 5.9234 6.2650 6.2650 6.3110 6.3110 7.0778 7.0778 7.6427 7.6427 7.6825 7.6825 13.0535 13.0535 13.6026 13.6026 13.7609 13.7609 13.8159 13.8159 k = 0.5095 0.1355 0.0170 ( 2478 PWs) bands (ev): -32.0155 -32.0155 -17.3849 -17.3849 -13.0209 -13.0209 -11.7218 -11.7218 -11.2740 -11.2740 -7.7574 -7.7574 -6.6951 -6.6951 -1.5821 -1.5821 -0.7269 -0.7269 -0.4092 -0.4092 5.9218 5.9218 6.2804 6.2804 6.3087 6.3087 7.0549 7.0549 7.6490 7.6490 7.6875 7.6875 13.0480 13.0480 13.6044 13.6044 13.7697 13.7697 13.8079 13.8079 k = 0.5063 0.1346 0.0381 ( 2482 PWs) bands (ev): -32.0158 -32.0158 -17.3861 -17.3861 -13.0207 -13.0207 -11.7207 -11.7207 -11.2704 -11.2704 -7.7632 -7.7632 -6.6919 -6.6919 -1.5808 -1.5808 -0.7239 -0.7239 -0.4038 -0.4038 5.9208 5.9208 6.2915 6.2915 6.3079 6.3079 7.0376 7.0376 7.6533 7.6533 7.6914 7.6914 13.0437 13.0437 13.6049 13.6049 13.7756 13.7756 13.8040 13.8040 k = 0.5032 0.1338 0.0592 ( 2480 PWs) bands (ev): -32.0160 -32.0160 -17.3867 -17.3867 -13.0205 -13.0205 -11.7200 -11.7200 -11.2683 -11.2683 -7.7667 -7.7667 -6.6900 -6.6900 -1.5800 -1.5800 -0.7221 -0.7221 -0.4006 -0.4006 5.9201 5.9201 6.2970 6.2970 6.3089 6.3089 7.0268 7.0268 7.6558 7.6558 7.6938 7.6938 13.0411 13.0411 13.6049 13.6049 13.7779 13.7779 13.8034 13.8034 k = 0.5000 0.1329 0.0804 ( 2474 PWs) bands (ev): -32.0161 -32.0161 -17.3870 -17.3870 -13.0205 -13.0205 -11.7198 -11.7198 -11.2675 -11.2675 -7.7679 -7.7679 -6.6893 -6.6893 -1.5798 -1.5798 -0.7214 -0.7214 -0.3995 -0.3995 5.9199 5.9199 6.2983 6.2983 6.3099 6.3099 7.0232 7.0232 7.6567 7.6567 7.6947 7.6947 13.0402 13.0402 13.6048 13.6048 13.7783 13.7783 13.8037 13.8037 k = 0.5000-0.8738-0.5283 ( 2498 PWs) bands (ev): -31.9396 -31.9396 -17.1217 -17.1217 -13.2731 -13.2731 -12.0183 -12.0183 -11.5170 -11.5170 -7.5645 -7.5645 -6.5818 -6.5818 -2.4758 -2.4758 -1.3240 -1.3240 -0.8720 -0.8720 5.7379 5.7379 6.5271 6.5271 6.6068 6.6068 6.9707 6.9707 7.1154 7.1154 7.3754 7.3754 12.3108 12.3108 13.1260 13.1260 14.7706 14.7706 15.8558 15.8558 k = 0.5187-0.8660-0.5235 ( 2498 PWs) bands (ev): -31.9396 -31.9396 -17.1217 -17.1217 -13.2731 -13.2731 -12.0184 -12.0184 -11.5171 -11.5171 -7.5642 -7.5642 -6.5822 -6.5822 -2.4757 -2.4757 -1.3238 -1.3238 -0.8719 -0.8719 5.7352 5.7352 6.5282 6.5282 6.6060 6.6060 6.9672 6.9672 7.1206 7.1206 7.3764 7.3764 12.3023 12.3023 13.1359 13.1359 14.7707 14.7707 15.8551 15.8551 k = 0.5373-0.8582-0.5188 ( 2492 PWs) bands (ev): -31.9396 -31.9396 -17.1217 -17.1217 -13.2731 -13.2731 -12.0184 -12.0184 -11.5171 -11.5171 -7.5635 -7.5635 -6.5831 -6.5831 -2.4753 -2.4753 -1.3235 -1.3235 -0.8716 -0.8716 5.7272 5.7272 6.5313 6.5313 6.6034 6.6034 6.9580 6.9580 7.1349 7.1349 7.3793 7.3793 12.2779 12.2779 13.1645 13.1645 14.7711 14.7711 15.8523 15.8523 k = 0.5560-0.8503-0.5141 ( 2492 PWs) bands (ev): -31.9396 -31.9396 -17.1217 -17.1217 -13.2731 -13.2731 -12.0184 -12.0184 -11.5171 -11.5171 -7.5622 -7.5622 -6.5846 -6.5846 -2.4746 -2.4746 -1.3229 -1.3229 -0.8711 -0.8711 5.7143 5.7143 6.5359 6.5359 6.5993 6.5993 6.9459 6.9459 7.1556 7.1556 7.3841 7.3841 12.2409 12.2409 13.2083 13.2083 14.7720 14.7720 15.8450 15.8450 k = 0.5746-0.8425-0.5094 ( 2490 PWs) bands (ev): -31.9396 -31.9396 -17.1218 -17.1218 -13.2731 -13.2731 -12.0185 -12.0185 -11.5171 -11.5171 -7.5604 -7.5604 -6.5867 -6.5867 -2.4737 -2.4737 -1.3220 -1.3220 -0.8705 -0.8705 5.6970 5.6970 6.5416 6.5416 6.5937 6.5937 6.9330 6.9330 7.1805 7.1805 7.3907 7.3907 12.1948 12.1948 13.2634 13.2634 14.7735 14.7735 15.8293 15.8293 k = 0.5933-0.8347-0.5046 ( 2484 PWs) bands (ev): -31.9396 -31.9396 -17.1218 -17.1218 -13.2731 -13.2731 -12.0185 -12.0185 -11.5171 -11.5171 -7.5582 -7.5582 -6.5894 -6.5894 -2.4726 -2.4726 -1.3210 -1.3210 -0.8696 -0.8696 5.6759 5.6759 6.5477 6.5477 6.5868 6.5868 6.9208 6.9208 7.2080 7.2080 7.3989 7.3989 12.1429 12.1429 13.3264 13.3264 14.7760 14.7760 15.8076 15.8076 k = 0.6120-0.8269-0.4999 ( 2492 PWs) bands (ev): -31.9397 -31.9397 -17.1218 -17.1218 -13.2731 -13.2731 -12.0186 -12.0186 -11.5172 -11.5172 -7.5555 -7.5555 -6.5926 -6.5926 -2.4713 -2.4713 -1.3198 -1.3198 -0.8686 -0.8686 5.6518 5.6518 6.5533 6.5533 6.5789 6.5789 6.9101 6.9101 7.2374 7.2374 7.4086 7.4086 12.0878 12.0878 13.3941 13.3941 14.7798 14.7798 15.7829 15.7829 k = 0.6306-0.8191-0.4952 ( 2497 PWs) bands (ev): -31.9397 -31.9397 -17.1219 -17.1219 -13.2731 -13.2731 -12.0187 -12.0187 -11.5173 -11.5173 -7.5524 -7.5524 -6.5963 -6.5963 -2.4698 -2.4698 -1.3183 -1.3183 -0.8675 -0.8675 5.6253 5.6253 6.5576 6.5576 6.5705 6.5705 6.9017 6.9017 7.2678 7.2678 7.4195 7.4195 12.0313 12.0313 13.4641 13.4641 14.7854 14.7854 15.7572 15.7572 k = 0.6493-0.8112-0.4905 ( 2501 PWs) bands (ev): -31.9397 -31.9397 -17.1219 -17.1219 -13.2731 -13.2731 -12.0188 -12.0188 -11.5173 -11.5173 -7.5490 -7.5490 -6.6004 -6.6004 -2.4680 -2.4680 -1.3168 -1.3168 -0.8662 -0.8662 5.5972 5.5972 6.5571 6.5571 6.5645 6.5645 6.8957 6.8957 7.2987 7.2987 7.4315 7.4315 11.9747 11.9747 13.5345 13.5345 14.7932 14.7932 15.7317 15.7317 k = 0.6680-0.8034-0.4857 ( 2503 PWs) bands (ev): -31.9397 -31.9397 -17.1220 -17.1220 -13.2731 -13.2731 -12.0189 -12.0189 -11.5174 -11.5174 -7.5452 -7.5452 -6.6049 -6.6049 -2.4661 -2.4661 -1.3151 -1.3151 -0.8649 -0.8649 5.5680 5.5680 6.5486 6.5486 6.5642 6.5642 6.8925 6.8925 7.3296 7.3296 7.4445 7.4445 11.9190 11.9190 13.6034 13.6034 14.8038 14.8038 15.7074 15.7074 k = 0.6866-0.7956-0.4810 ( 2499 PWs) bands (ev): -31.9398 -31.9398 -17.1220 -17.1220 -13.2731 -13.2731 -12.0190 -12.0190 -11.5175 -11.5175 -7.5412 -7.5412 -6.6097 -6.6097 -2.4641 -2.4641 -1.3133 -1.3133 -0.8634 -0.8634 5.5384 5.5384 6.5384 6.5384 6.5633 6.5633 6.8919 6.8919 7.3598 7.3598 7.4585 7.4585 11.8649 11.8649 13.6695 13.6695 14.8174 14.8174 15.6852 15.6852 k = 0.7053-0.7878-0.4763 ( 2495 PWs) bands (ev): -31.9398 -31.9398 -17.1221 -17.1221 -13.2730 -13.2730 -12.0190 -12.0190 -11.5176 -11.5176 -7.5370 -7.5370 -6.6148 -6.6148 -2.4619 -2.4619 -1.3114 -1.3114 -0.8618 -0.8618 5.5088 5.5088 6.5280 6.5280 6.5605 6.5605 6.8937 6.8937 7.3887 7.3887 7.4735 7.4735 11.8130 11.8130 13.7313 13.7313 14.8345 14.8345 15.6660 15.6660 k = 0.7239-0.7800-0.4715 ( 2495 PWs) bands (ev): -31.9398 -31.9398 -17.1222 -17.1222 -13.2730 -13.2730 -12.0191 -12.0191 -11.5177 -11.5177 -7.5326 -7.5326 -6.6200 -6.6200 -2.4596 -2.4596 -1.3094 -1.3094 -0.8602 -0.8602 5.4796 5.4796 6.5175 6.5175 6.5560 6.5560 6.8978 6.8978 7.4154 7.4154 7.4898 7.4898 11.7637 11.7637 13.7878 13.7878 14.8548 14.8548 15.6504 15.6504 k = 0.7426-0.7721-0.4668 ( 2495 PWs) bands (ev): -31.9399 -31.9399 -17.1223 -17.1223 -13.2729 -13.2729 -12.0192 -12.0192 -11.5178 -11.5178 -7.5281 -7.5281 -6.6253 -6.6253 -2.4573 -2.4573 -1.3075 -1.3075 -0.8586 -0.8586 5.4512 5.4512 6.5072 6.5072 6.5501 6.5501 6.9037 6.9037 7.4393 7.4393 7.5075 7.5075 11.7173 11.7173 13.8381 13.8381 14.8781 14.8781 15.6392 15.6392 k = 0.7613-0.7643-0.4621 ( 2498 PWs) bands (ev): -31.9399 -31.9399 -17.1224 -17.1224 -13.2728 -13.2728 -12.0193 -12.0193 -11.5179 -11.5179 -7.5236 -7.5236 -6.6307 -6.6307 -2.4548 -2.4548 -1.3055 -1.3055 -0.8570 -0.8570 5.4241 5.4241 6.4974 6.4974 6.5429 6.5429 6.9109 6.9109 7.4597 7.4597 7.5266 7.5266 11.6743 11.6743 13.8819 13.8819 14.9037 14.9037 15.6332 15.6332 k = 0.7799-0.7565-0.4574 ( 2498 PWs) bands (ev): -31.9399 -31.9399 -17.1225 -17.1225 -13.2727 -13.2727 -12.0193 -12.0193 -11.5180 -11.5180 -7.5192 -7.5192 -6.6360 -6.6360 -2.4524 -2.4524 -1.3036 -1.3036 -0.8554 -0.8554 5.3985 5.3985 6.4881 6.4881 6.5350 6.5350 6.9193 6.9193 7.4769 7.4769 7.5465 7.5465 11.6347 11.6347 13.9190 13.9190 14.9305 14.9305 15.6329 15.6329 k = 0.7986-0.7487-0.4526 ( 2500 PWs) bands (ev): -31.9400 -31.9400 -17.1226 -17.1226 -13.2726 -13.2726 -12.0194 -12.0194 -11.5181 -11.5181 -7.5148 -7.5148 -6.6411 -6.6411 -2.4500 -2.4500 -1.3018 -1.3018 -0.8539 -0.8539 5.3746 5.3746 6.4794 6.4794 6.5266 6.5266 6.9284 6.9284 7.4912 7.4912 7.5665 7.5665 11.5989 11.5989 13.9497 13.9497 14.9571 14.9571 15.6387 15.6387 k = 0.8172-0.7409-0.4479 ( 2500 PWs) bands (ev): -31.9400 -31.9400 -17.1228 -17.1228 -13.2724 -13.2724 -12.0194 -12.0194 -11.5182 -11.5182 -7.5107 -7.5107 -6.6460 -6.6460 -2.4475 -2.4475 -1.3000 -1.3000 -0.8524 -0.8524 5.3527 5.3527 6.4715 6.4715 6.5179 6.5179 6.9380 6.9380 7.5031 7.5031 7.5854 7.5854 11.5669 11.5669 13.9744 13.9744 14.9824 14.9824 15.6503 15.6503 Writing output data file RbYO2.save init_run : 0.34s CPU 2.67s WALL ( 1 calls) electrons : 148.24s CPU 150.03s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 148.24s CPU 150.02s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 345 calls) cegterg : 131.07s CPU 132.42s WALL ( 354 calls) Called by sum_band: Called by *egterg: h_psi : 101.16s CPU 102.49s WALL ( 6797 calls) s_psi : 2.77s CPU 2.90s WALL ( 6797 calls) g_psi : 0.12s CPU 0.11s WALL ( 6098 calls) cdiaghg : 35.20s CPU 35.05s WALL ( 6443 calls) cegterg:over : 2.55s CPU 2.62s WALL ( 6098 calls) cegterg:upda : 1.71s CPU 1.94s WALL ( 6098 calls) cegterg:last : 1.15s CPU 1.09s WALL ( 1044 calls) cdiaghg:chol : 1.95s CPU 1.86s WALL ( 6443 calls) cdiaghg:inve : 1.19s CPU 1.11s WALL ( 6443 calls) cdiaghg:para : 1.84s CPU 1.95s WALL ( 12886 calls) Called by h_psi: h_psi:vloc : 96.46s CPU 97.65s WALL ( 6797 calls) h_psi:vnl : 4.61s CPU 4.75s WALL ( 6797 calls) add_vuspsi : 2.36s CPU 2.49s WALL ( 6797 calls) General routines calbec : 2.22s CPU 2.24s WALL ( 6797 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 88.50s CPU 89.68s WALL ( 593068 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.14s WALL ( 690 calls) Parallel routines fft_scatter : 21.27s CPU 21.70s WALL ( 593091 calls) PWSCF : 2m40.04s CPU 3m 2.37s WALL This run was terminated on: 20:55: 5 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=