Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 14:23:48 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Cs2Te2Pt.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 98 72 20 2998 1891 278 Max 99 73 21 3000 1916 280 Sum 7057 5199 1453 215951 137165 20113 bravais-lattice index = 14 lattice parameter (alat) = 14.3662 a.u. unit-cell volume = 1419.4681 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.366216 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.861994 celldm(5)= -0.259771 celldm(6)= 0.121764 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.121764 0.992559 0.000000 ) a(3) = ( -0.259771 -0.836588 0.482328 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.122677 0.325796 ) b(2) = ( 0.000000 1.007497 1.747484 ) b(3) = ( 0.000000 0.000000 2.073280 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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 Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Te 6.00 127.60000 Te( 1.00) Pt 10.00 195.08400 Pt( 1.00) Cs 9.00 132.90550 Cs( 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= 314 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 2) = ( -0.0062390 0.0070512 0.0218052), wk = 0.0031847 k( 3) = ( -0.0124781 0.0141024 0.0436104), wk = 0.0031847 k( 4) = ( -0.0187171 0.0211536 0.0654156), wk = 0.0031847 k( 5) = ( -0.0249561 0.0282048 0.0872209), wk = 0.0031847 k( 6) = ( -0.0311952 0.0352560 0.1090261), wk = 0.0031847 k( 7) = ( -0.0374342 0.0423072 0.1308313), wk = 0.0031847 k( 8) = ( -0.0436732 0.0493583 0.1526365), wk = 0.0031847 k( 9) = ( -0.0499123 0.0564095 0.1744417), wk = 0.0031847 k( 10) = ( -0.0561513 0.0634607 0.1962470), wk = 0.0031847 k( 11) = ( -0.0623903 0.0705119 0.2180522), wk = 0.0031847 k( 12) = ( -0.0686294 0.0775631 0.2398574), wk = 0.0031847 k( 13) = ( -0.0748684 0.0846143 0.2616626), wk = 0.0031847 k( 14) = ( -0.0811074 0.0916655 0.2834679), wk = 0.0031847 k( 15) = ( -0.0873465 0.0987167 0.3052731), wk = 0.0031847 k( 16) = ( -0.0935855 0.1057679 0.3270783), wk = 0.0031847 k( 17) = ( -0.0998245 0.1128191 0.3488835), wk = 0.0031847 k( 18) = ( -0.1060636 0.1198703 0.3706887), wk = 0.0031847 k( 19) = ( -0.1123026 0.1269215 0.3924940), wk = 0.0031847 k( 20) = ( -0.1185416 0.1339727 0.4142992), wk = 0.0031847 k( 21) = ( -0.1247807 0.1410238 0.4361044), wk = 0.0031847 k( 22) = ( -0.1310197 0.1480750 0.4579096), wk = 0.0031847 k( 23) = ( -0.1372588 0.1551262 0.4797148), wk = 0.0031847 k( 24) = ( -0.1434978 0.1621774 0.5015201), wk = 0.0031847 k( 25) = ( -0.1497368 0.1692286 0.5233253), wk = 0.0031847 k( 26) = ( -0.1559759 0.1762798 0.5451305), wk = 0.0031847 k( 27) = ( -0.1622149 0.1833310 0.5669357), wk = 0.0031847 k( 28) = ( -0.1684539 0.1903822 0.5887409), wk = 0.0031847 k( 29) = ( -0.1746930 0.1974334 0.6105461), wk = 0.0031847 k( 30) = ( -0.1809320 0.2044846 0.6323514), wk = 0.0031847 k( 31) = ( -0.1871710 0.2115358 0.6541566), wk = 0.0031847 k( 32) = ( -0.1934101 0.2185870 0.6759618), wk = 0.0031847 k( 33) = ( -0.1996491 0.2256382 0.6977670), wk = 0.0031847 k( 34) = ( -0.2058881 0.2326894 0.7195722), wk = 0.0031847 k( 35) = ( -0.2121272 0.2397405 0.7413774), wk = 0.0031847 k( 36) = ( -0.2183662 0.2467917 0.7631827), wk = 0.0031847 k( 37) = ( -0.2246052 0.2538429 0.7849879), wk = 0.0031847 k( 38) = ( -0.2308443 0.2608941 0.8067931), wk = 0.0031847 k( 39) = ( -0.2370833 0.2679453 0.8285983), wk = 0.0031847 k( 40) = ( -0.2433223 0.2749965 0.8504036), wk = 0.0031847 k( 41) = ( -0.2495614 0.2820477 0.8722088), wk = 0.0031847 k( 42) = ( -0.2558004 0.2890989 0.8940140), wk = 0.0031847 k( 43) = ( -0.2620394 0.2961501 0.9158192), wk = 0.0031847 k( 44) = ( -0.2682785 0.3032013 0.9376244), wk = 0.0031847 k( 45) = ( -0.2745175 0.3102525 0.9594297), wk = 0.0031847 k( 46) = ( -0.2807565 0.3173037 0.9812349), wk = 0.0031847 k( 47) = ( -0.2807565 0.3173037 0.9812349), wk = 0.0031847 k( 48) = ( -0.2665849 0.3012872 0.9904690), wk = 0.0031847 k( 49) = ( -0.2524132 0.2852708 0.9997032), wk = 0.0031847 k( 50) = ( -0.2382415 0.2692543 1.0089373), wk = 0.0031847 k( 51) = ( -0.2240698 0.2532378 1.0181715), wk = 0.0031847 k( 52) = ( -0.2098982 0.2372214 1.0274056), wk = 0.0031847 k( 53) = ( -0.1957265 0.2212049 1.0366398), wk = 0.0031847 k( 54) = ( -0.1957265 0.2212049 1.0366398), wk = 0.0031847 k( 55) = ( -0.1806706 0.2041892 1.0366398), wk = 0.0031847 k( 56) = ( -0.1656147 0.1871734 1.0366398), wk = 0.0031847 k( 57) = ( -0.1505588 0.1701576 1.0366398), wk = 0.0031847 k( 58) = ( -0.1355030 0.1531419 1.0366398), wk = 0.0031847 k( 59) = ( -0.1204471 0.1361261 1.0366398), wk = 0.0031847 k( 60) = ( -0.1053912 0.1191104 1.0366398), wk = 0.0031847 k( 61) = ( -0.0903353 0.1020946 1.0366398), wk = 0.0031847 k( 62) = ( -0.0752794 0.0850788 1.0366398), wk = 0.0031847 k( 63) = ( -0.0602235 0.0680631 1.0366398), wk = 0.0031847 k( 64) = ( -0.0451676 0.0510473 1.0366398), wk = 0.0031847 k( 65) = ( -0.0301118 0.0340315 1.0366398), wk = 0.0031847 k( 66) = ( -0.0150559 0.0170158 1.0366398), wk = 0.0031847 k( 67) = ( 0.0000000 0.0000000 1.0366398), wk = 0.0031847 k( 68) = ( 0.0000000 0.0000000 1.0366398), wk = 0.0031847 k( 69) = ( 0.0178571 0.0158003 1.0366398), wk = 0.0031847 k( 70) = ( 0.0357143 0.0316007 1.0366398), wk = 0.0031847 k( 71) = ( 0.0535714 0.0474011 1.0366398), wk = 0.0031847 k( 72) = ( 0.0714286 0.0632014 1.0366398), wk = 0.0031847 k( 73) = ( 0.0892857 0.0790018 1.0366398), wk = 0.0031847 k( 74) = ( 0.1071429 0.0948021 1.0366398), wk = 0.0031847 k( 75) = ( 0.1250000 0.1106025 1.0366398), wk = 0.0031847 k( 76) = ( 0.1428571 0.1264028 1.0366398), wk = 0.0031847 k( 77) = ( 0.1607143 0.1422032 1.0366398), wk = 0.0031847 k( 78) = ( 0.1785714 0.1580035 1.0366398), wk = 0.0031847 k( 79) = ( 0.1964286 0.1738039 1.0366398), wk = 0.0031847 k( 80) = ( 0.2142857 0.1896042 1.0366398), wk = 0.0031847 k( 81) = ( 0.2321429 0.2054046 1.0366398), wk = 0.0031847 k( 82) = ( 0.2500000 0.2212049 1.0366398), wk = 0.0031847 k( 83) = ( 0.2500000 0.2212049 1.0366398), wk = 0.0031847 k( 84) = ( 0.2352941 0.2378251 1.0270575), wk = 0.0031847 k( 85) = ( 0.2205882 0.2544453 1.0174753), wk = 0.0031847 k( 86) = ( 0.2058823 0.2710655 1.0078931), wk = 0.0031847 k( 87) = ( 0.1911765 0.2876857 0.9983108), wk = 0.0031847 k( 88) = ( 0.1764706 0.3043059 0.9887286), wk = 0.0031847 k( 89) = ( 0.1617647 0.3209261 0.9791464), wk = 0.0031847 k( 90) = ( 0.1470588 0.3375463 0.9695641), wk = 0.0031847 k( 91) = ( 0.1323529 0.3541665 0.9599819), wk = 0.0031847 k( 92) = ( 0.1176471 0.3707867 0.9503997), wk = 0.0031847 k( 93) = ( 0.1029412 0.3874069 0.9408174), wk = 0.0031847 k( 94) = ( 0.0882353 0.4040272 0.9312352), wk = 0.0031847 k( 95) = ( 0.0735294 0.4206474 0.9216530), wk = 0.0031847 k( 96) = ( 0.0588235 0.4372676 0.9120707), wk = 0.0031847 k( 97) = ( 0.0441177 0.4538878 0.9024885), wk = 0.0031847 k( 98) = ( 0.0294118 0.4705080 0.8929062), wk = 0.0031847 k( 99) = ( 0.0147059 0.4871282 0.8833240), wk = 0.0031847 k( 100) = ( 0.0000000 0.5037484 0.8737418), wk = 0.0031847 k( 101) = ( 0.0000000 0.5037484 0.8737418), wk = 0.0031847 k( 102) = ( 0.0187171 0.5161780 0.8665756), wk = 0.0031847 k( 103) = ( 0.0374342 0.5286077 0.8594094), wk = 0.0031847 k( 104) = ( 0.0561513 0.5410373 0.8522432), wk = 0.0031847 k( 105) = ( 0.0748684 0.5534669 0.8450769), wk = 0.0031847 k( 106) = ( 0.0935855 0.5658966 0.8379107), wk = 0.0031847 k( 107) = ( 0.1123026 0.5783262 0.8307445), wk = 0.0031847 k( 108) = ( 0.1310197 0.5907559 0.8235783), wk = 0.0031847 k( 109) = ( 0.1497368 0.6031855 0.8164121), wk = 0.0031847 k( 110) = ( 0.1684539 0.6156152 0.8092459), wk = 0.0031847 k( 111) = ( 0.1871710 0.6280448 0.8020797), wk = 0.0031847 k( 112) = ( 0.2058881 0.6404745 0.7949135), wk = 0.0031847 k( 113) = ( 0.2246052 0.6529041 0.7877473), wk = 0.0031847 k( 114) = ( 0.2433223 0.6653338 0.7805811), wk = 0.0031847 k( 115) = ( 0.2620394 0.6777634 0.7734149), wk = 0.0031847 k( 116) = ( 0.2807565 0.6901931 0.7662487), wk = 0.0031847 k( 117) = ( 0.2807565 0.6901931 0.7662487), wk = 0.0031847 k( 118) = ( 0.2870206 0.6831135 0.7443559), wk = 0.0031847 k( 119) = ( 0.2932847 0.6760340 0.7224630), wk = 0.0031847 k( 120) = ( 0.2995488 0.6689545 0.7005702), wk = 0.0031847 k( 121) = ( 0.3058129 0.6618750 0.6786774), wk = 0.0031847 k( 122) = ( 0.3120770 0.6547955 0.6567846), wk = 0.0031847 k( 123) = ( 0.3183411 0.6477159 0.6348918), wk = 0.0031847 k( 124) = ( 0.3246052 0.6406364 0.6129990), wk = 0.0031847 k( 125) = ( 0.3308693 0.6335569 0.5911061), wk = 0.0031847 k( 126) = ( 0.3371334 0.6264774 0.5692133), wk = 0.0031847 k( 127) = ( 0.3433975 0.6193979 0.5473205), wk = 0.0031847 k( 128) = ( 0.3496616 0.6123183 0.5254277), wk = 0.0031847 k( 129) = ( 0.3559257 0.6052388 0.5035348), wk = 0.0031847 k( 130) = ( 0.3621898 0.5981593 0.4816420), wk = 0.0031847 k( 131) = ( 0.3684539 0.5910798 0.4597492), wk = 0.0031847 k( 132) = ( 0.3747180 0.5840003 0.4378564), wk = 0.0031847 k( 133) = ( 0.3809821 0.5769207 0.4159636), wk = 0.0031847 k( 134) = ( 0.3872462 0.5698412 0.3940708), wk = 0.0031847 k( 135) = ( 0.3935103 0.5627617 0.3721779), wk = 0.0031847 k( 136) = ( 0.3997744 0.5556822 0.3502851), wk = 0.0031847 k( 137) = ( 0.4060385 0.5486027 0.3283923), wk = 0.0031847 k( 138) = ( 0.4123026 0.5415231 0.3064995), wk = 0.0031847 k( 139) = ( 0.4185667 0.5344436 0.2846066), wk = 0.0031847 k( 140) = ( 0.4248308 0.5273641 0.2627138), wk = 0.0031847 k( 141) = ( 0.4310949 0.5202846 0.2408210), wk = 0.0031847 k( 142) = ( 0.4373590 0.5132051 0.2189282), wk = 0.0031847 k( 143) = ( 0.4436231 0.5061255 0.1970354), wk = 0.0031847 k( 144) = ( 0.4498872 0.4990460 0.1751426), wk = 0.0031847 k( 145) = ( 0.4561513 0.4919665 0.1532497), wk = 0.0031847 k( 146) = ( 0.4624154 0.4848870 0.1313569), wk = 0.0031847 k( 147) = ( 0.4686795 0.4778075 0.1094641), wk = 0.0031847 k( 148) = ( 0.4749436 0.4707279 0.0875713), wk = 0.0031847 k( 149) = ( 0.4812077 0.4636484 0.0656785), wk = 0.0031847 k( 150) = ( 0.4874718 0.4565689 0.0437856), wk = 0.0031847 k( 151) = ( 0.4937359 0.4494894 0.0218928), wk = 0.0031847 k( 152) = ( 0.5000000 0.4424099 -0.0000000), wk = 0.0031847 k( 153) = ( 0.5000000 0.4424099 -0.0000000), wk = 0.0031847 k( 154) = ( 0.4821429 0.4266095 -0.0000000), wk = 0.0031847 k( 155) = ( 0.4642857 0.4108092 -0.0000000), wk = 0.0031847 k( 156) = ( 0.4464286 0.3950088 -0.0000000), wk = 0.0031847 k( 157) = ( 0.4285714 0.3792085 -0.0000000), wk = 0.0031847 k( 158) = ( 0.4107143 0.3634081 -0.0000000), wk = 0.0031847 k( 159) = ( 0.3928571 0.3476077 -0.0000000), wk = 0.0031847 k( 160) = ( 0.3750000 0.3318074 -0.0000000), wk = 0.0031847 k( 161) = ( 0.3571429 0.3160070 -0.0000000), wk = 0.0031847 k( 162) = ( 0.3392857 0.3002067 -0.0000000), wk = 0.0031847 k( 163) = ( 0.3214286 0.2844063 -0.0000000), wk = 0.0031847 k( 164) = ( 0.3035714 0.2686060 -0.0000000), wk = 0.0031847 k( 165) = ( 0.2857143 0.2528056 -0.0000000), wk = 0.0031847 k( 166) = ( 0.2678571 0.2370053 -0.0000000), wk = 0.0031847 k( 167) = ( 0.2500000 0.2212049 -0.0000000), wk = 0.0031847 k( 168) = ( 0.2321429 0.2054046 -0.0000000), wk = 0.0031847 k( 169) = ( 0.2142857 0.1896042 -0.0000000), wk = 0.0031847 k( 170) = ( 0.1964286 0.1738039 -0.0000000), wk = 0.0031847 k( 171) = ( 0.1785714 0.1580035 -0.0000000), wk = 0.0031847 k( 172) = ( 0.1607143 0.1422032 -0.0000000), wk = 0.0031847 k( 173) = ( 0.1428571 0.1264028 -0.0000000), wk = 0.0031847 k( 174) = ( 0.1250000 0.1106025 -0.0000000), wk = 0.0031847 k( 175) = ( 0.1071429 0.0948021 -0.0000000), wk = 0.0031847 k( 176) = ( 0.0892857 0.0790018 -0.0000000), wk = 0.0031847 k( 177) = ( 0.0714286 0.0632014 -0.0000000), wk = 0.0031847 k( 178) = ( 0.0535714 0.0474011 -0.0000000), wk = 0.0031847 k( 179) = ( 0.0357143 0.0316007 -0.0000000), wk = 0.0031847 k( 180) = ( 0.0178571 0.0158003 -0.0000000), wk = 0.0031847 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 183) = ( 0.0143093 -0.0161720 0.0093238), wk = 0.0031847 k( 184) = ( 0.0286186 -0.0323440 0.0186477), wk = 0.0031847 k( 185) = ( 0.0429279 -0.0485160 0.0279715), wk = 0.0031847 k( 186) = ( 0.0572372 -0.0646880 0.0372953), wk = 0.0031847 k( 187) = ( 0.0715465 -0.0808600 0.0466192), wk = 0.0031847 k( 188) = ( 0.0858558 -0.0970320 0.0559430), wk = 0.0031847 k( 189) = ( 0.1001652 -0.1132040 0.0652668), wk = 0.0031847 k( 190) = ( 0.1144745 -0.1293760 0.0745906), wk = 0.0031847 k( 191) = ( 0.1287838 -0.1455480 0.0839145), wk = 0.0031847 k( 192) = ( 0.1430931 -0.1617200 0.0932383), wk = 0.0031847 k( 193) = ( 0.1574024 -0.1778920 0.1025621), wk = 0.0031847 k( 194) = ( 0.1717117 -0.1940641 0.1118860), wk = 0.0031847 k( 195) = ( 0.1860210 -0.2102361 0.1212098), wk = 0.0031847 k( 196) = ( 0.2003303 -0.2264081 0.1305336), wk = 0.0031847 k( 197) = ( 0.2146396 -0.2425801 0.1398575), wk = 0.0031847 k( 198) = ( 0.2289489 -0.2587521 0.1491813), wk = 0.0031847 k( 199) = ( 0.2432582 -0.2749241 0.1585051), wk = 0.0031847 k( 200) = ( 0.2575675 -0.2910961 0.1678290), wk = 0.0031847 k( 201) = ( 0.2718769 -0.3072681 0.1771528), wk = 0.0031847 k( 202) = ( 0.2861862 -0.3234401 0.1864766), wk = 0.0031847 k( 203) = ( 0.3004955 -0.3396121 0.1958005), wk = 0.0031847 k( 204) = ( 0.3148048 -0.3557841 0.2051243), wk = 0.0031847 k( 205) = ( 0.3291141 -0.3719561 0.2144481), wk = 0.0031847 k( 206) = ( 0.3434234 -0.3881281 0.2237719), wk = 0.0031847 k( 207) = ( 0.3577327 -0.4043001 0.2330958), wk = 0.0031847 k( 208) = ( 0.3720420 -0.4204721 0.2424196), wk = 0.0031847 k( 209) = ( 0.3863513 -0.4366441 0.2517434), wk = 0.0031847 k( 210) = ( 0.4006606 -0.4528161 0.2610673), wk = 0.0031847 k( 211) = ( 0.4149699 -0.4689881 0.2703911), wk = 0.0031847 k( 212) = ( 0.4149699 -0.4689881 0.2703911), wk = 0.0031847 k( 213) = ( 0.4196938 -0.4463409 0.2644193), wk = 0.0031847 k( 214) = ( 0.4244177 -0.4236937 0.2584474), wk = 0.0031847 k( 215) = ( 0.4291416 -0.4010465 0.2524756), wk = 0.0031847 k( 216) = ( 0.4338655 -0.3783993 0.2465037), wk = 0.0031847 k( 217) = ( 0.4385894 -0.3557521 0.2405319), wk = 0.0031847 k( 218) = ( 0.4433133 -0.3331049 0.2345601), wk = 0.0031847 k( 219) = ( 0.4480372 -0.3104577 0.2285882), wk = 0.0031847 k( 220) = ( 0.4527611 -0.2878105 0.2226164), wk = 0.0031847 k( 221) = ( 0.4574850 -0.2651633 0.2166445), wk = 0.0031847 k( 222) = ( 0.4622089 -0.2425161 0.2106727), wk = 0.0031847 k( 223) = ( 0.4669328 -0.2198689 0.2047009), wk = 0.0031847 k( 224) = ( 0.4716567 -0.1972217 0.1987290), wk = 0.0031847 k( 225) = ( 0.4763805 -0.1745745 0.1927572), wk = 0.0031847 k( 226) = ( 0.4811044 -0.1519273 0.1867854), wk = 0.0031847 k( 227) = ( 0.4858283 -0.1292801 0.1808135), wk = 0.0031847 k( 228) = ( 0.4905522 -0.1066329 0.1748417), wk = 0.0031847 k( 229) = ( 0.4952761 -0.0839857 0.1688698), wk = 0.0031847 k( 230) = ( 0.5000000 -0.0613385 0.1628980), wk = 0.0031847 k( 231) = ( 0.5000000 -0.0613385 0.1628980), wk = 0.0031847 k( 232) = ( 0.4937500 -0.0542749 0.1847415), wk = 0.0031847 k( 233) = ( 0.4875000 -0.0472113 0.2065851), wk = 0.0031847 k( 234) = ( 0.4812500 -0.0401477 0.2284286), wk = 0.0031847 k( 235) = ( 0.4750000 -0.0330842 0.2502722), wk = 0.0031847 k( 236) = ( 0.4687500 -0.0260206 0.2721157), wk = 0.0031847 k( 237) = ( 0.4625000 -0.0189570 0.2939593), wk = 0.0031847 k( 238) = ( 0.4562500 -0.0118934 0.3158028), wk = 0.0031847 k( 239) = ( 0.4500000 -0.0048298 0.3376464), wk = 0.0031847 k( 240) = ( 0.4437500 0.0022338 0.3594899), wk = 0.0031847 k( 241) = ( 0.4375000 0.0092974 0.3813334), wk = 0.0031847 k( 242) = ( 0.4312500 0.0163609 0.4031770), wk = 0.0031847 k( 243) = ( 0.4250000 0.0234245 0.4250205), wk = 0.0031847 k( 244) = ( 0.4187500 0.0304881 0.4468641), wk = 0.0031847 k( 245) = ( 0.4125000 0.0375517 0.4687076), wk = 0.0031847 k( 246) = ( 0.4062500 0.0446153 0.4905512), wk = 0.0031847 k( 247) = ( 0.4000000 0.0516789 0.5123947), wk = 0.0031847 k( 248) = ( 0.3937500 0.0587425 0.5342383), wk = 0.0031847 k( 249) = ( 0.3875000 0.0658060 0.5560818), wk = 0.0031847 k( 250) = ( 0.3812500 0.0728696 0.5779253), wk = 0.0031847 k( 251) = ( 0.3750000 0.0799332 0.5997689), wk = 0.0031847 k( 252) = ( 0.3687500 0.0869968 0.6216124), wk = 0.0031847 k( 253) = ( 0.3625000 0.0940604 0.6434560), wk = 0.0031847 k( 254) = ( 0.3562500 0.1011240 0.6652995), wk = 0.0031847 k( 255) = ( 0.3500000 0.1081876 0.6871431), wk = 0.0031847 k( 256) = ( 0.3437500 0.1152511 0.7089866), wk = 0.0031847 k( 257) = ( 0.3375000 0.1223147 0.7308302), wk = 0.0031847 k( 258) = ( 0.3312500 0.1293783 0.7526737), wk = 0.0031847 k( 259) = ( 0.3250000 0.1364419 0.7745172), wk = 0.0031847 k( 260) = ( 0.3187500 0.1435055 0.7963608), wk = 0.0031847 k( 261) = ( 0.3125000 0.1505691 0.8182043), wk = 0.0031847 k( 262) = ( 0.3062500 0.1576327 0.8400479), wk = 0.0031847 k( 263) = ( 0.3000000 0.1646962 0.8618914), wk = 0.0031847 k( 264) = ( 0.2937500 0.1717598 0.8837350), wk = 0.0031847 k( 265) = ( 0.2875000 0.1788234 0.9055785), wk = 0.0031847 k( 266) = ( 0.2812500 0.1858870 0.9274221), wk = 0.0031847 k( 267) = ( 0.2750000 0.1929506 0.9492656), wk = 0.0031847 k( 268) = ( 0.2687500 0.2000142 0.9711091), wk = 0.0031847 k( 269) = ( 0.2625000 0.2070778 0.9929527), wk = 0.0031847 k( 270) = ( 0.2562500 0.2141413 1.0147962), wk = 0.0031847 k( 271) = ( 0.2500000 0.2212049 1.0366398), wk = 0.0031847 k( 272) = ( 0.1957265 -0.2212049 1.0366398), wk = 0.0031847 k( 273) = ( 0.2019906 -0.2282845 1.0147470), wk = 0.0031847 k( 274) = ( 0.2082547 -0.2353640 0.9928542), wk = 0.0031847 k( 275) = ( 0.2145188 -0.2424435 0.9709613), wk = 0.0031847 k( 276) = ( 0.2207829 -0.2495230 0.9490685), wk = 0.0031847 k( 277) = ( 0.2270470 -0.2566025 0.9271757), wk = 0.0031847 k( 278) = ( 0.2333111 -0.2636821 0.9052829), wk = 0.0031847 k( 279) = ( 0.2395752 -0.2707616 0.8833900), wk = 0.0031847 k( 280) = ( 0.2458393 -0.2778411 0.8614972), wk = 0.0031847 k( 281) = ( 0.2521034 -0.2849206 0.8396044), wk = 0.0031847 k( 282) = ( 0.2583675 -0.2920001 0.8177116), wk = 0.0031847 k( 283) = ( 0.2646316 -0.2990796 0.7958188), wk = 0.0031847 k( 284) = ( 0.2708957 -0.3061592 0.7739260), wk = 0.0031847 k( 285) = ( 0.2771598 -0.3132387 0.7520331), wk = 0.0031847 k( 286) = ( 0.2834239 -0.3203182 0.7301403), wk = 0.0031847 k( 287) = ( 0.2896880 -0.3273977 0.7082475), wk = 0.0031847 k( 288) = ( 0.2959521 -0.3344773 0.6863547), wk = 0.0031847 k( 289) = ( 0.3022162 -0.3415568 0.6644619), wk = 0.0031847 k( 290) = ( 0.3084803 -0.3486363 0.6425690), wk = 0.0031847 k( 291) = ( 0.3147444 -0.3557158 0.6206762), wk = 0.0031847 k( 292) = ( 0.3210085 -0.3627953 0.5987834), wk = 0.0031847 k( 293) = ( 0.3272726 -0.3698748 0.5768906), wk = 0.0031847 k( 294) = ( 0.3335367 -0.3769544 0.5549978), wk = 0.0031847 k( 295) = ( 0.3398008 -0.3840339 0.5331049), wk = 0.0031847 k( 296) = ( 0.3460649 -0.3911134 0.5112121), wk = 0.0031847 k( 297) = ( 0.3523290 -0.3981929 0.4893193), wk = 0.0031847 k( 298) = ( 0.3585931 -0.4052725 0.4674265), wk = 0.0031847 k( 299) = ( 0.3648572 -0.4123520 0.4455337), wk = 0.0031847 k( 300) = ( 0.3711213 -0.4194315 0.4236408), wk = 0.0031847 k( 301) = ( 0.3773854 -0.4265110 0.4017480), wk = 0.0031847 k( 302) = ( 0.3836495 -0.4335905 0.3798552), wk = 0.0031847 k( 303) = ( 0.3899135 -0.4406700 0.3579624), wk = 0.0031847 k( 304) = ( 0.3961776 -0.4477496 0.3360696), wk = 0.0031847 k( 305) = ( 0.4024417 -0.4548291 0.3141767), wk = 0.0031847 k( 306) = ( 0.4087058 -0.4619086 0.2922839), wk = 0.0031847 k( 307) = ( 0.4149699 -0.4689881 0.2703911), wk = 0.0031847 k( 308) = ( 0.5850300 0.3463111 0.0554049), wk = 0.0031847 k( 309) = ( 0.5708584 0.3623276 0.0461708), wk = 0.0031847 k( 310) = ( 0.5566867 0.3783440 0.0369366), wk = 0.0031847 k( 311) = ( 0.5425150 0.3943605 0.0277025), wk = 0.0031847 k( 312) = ( 0.5283433 0.4103770 0.0184683), wk = 0.0031847 k( 313) = ( 0.5141717 0.4263934 0.0092342), wk = 0.0031847 k( 314) = ( 0.5000000 0.4424099 -0.0000000), wk = 0.0031847 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 2) = ( -0.0062390 0.0062390 0.0062390), wk = 0.0031847 k( 3) = ( -0.0124781 0.0124781 0.0124781), wk = 0.0031847 k( 4) = ( -0.0187171 0.0187171 0.0187171), wk = 0.0031847 k( 5) = ( -0.0249561 0.0249561 0.0249561), wk = 0.0031847 k( 6) = ( -0.0311952 0.0311952 0.0311952), wk = 0.0031847 k( 7) = ( -0.0374342 0.0374342 0.0374342), wk = 0.0031847 k( 8) = ( -0.0436732 0.0436732 0.0436732), wk = 0.0031847 k( 9) = ( -0.0499123 0.0499123 0.0499123), wk = 0.0031847 k( 10) = ( -0.0561513 0.0561513 0.0561513), wk = 0.0031847 k( 11) = ( -0.0623903 0.0623903 0.0623903), wk = 0.0031847 k( 12) = ( -0.0686294 0.0686294 0.0686294), wk = 0.0031847 k( 13) = ( -0.0748684 0.0748684 0.0748684), wk = 0.0031847 k( 14) = ( -0.0811074 0.0811074 0.0811074), wk = 0.0031847 k( 15) = ( -0.0873465 0.0873465 0.0873465), wk = 0.0031847 k( 16) = ( -0.0935855 0.0935855 0.0935855), wk = 0.0031847 k( 17) = ( -0.0998245 0.0998245 0.0998245), wk = 0.0031847 k( 18) = ( -0.1060636 0.1060636 0.1060636), wk = 0.0031847 k( 19) = ( -0.1123026 0.1123026 0.1123026), wk = 0.0031847 k( 20) = ( -0.1185416 0.1185417 0.1185416), wk = 0.0031847 k( 21) = ( -0.1247807 0.1247807 0.1247807), wk = 0.0031847 k( 22) = ( -0.1310197 0.1310197 0.1310197), wk = 0.0031847 k( 23) = ( -0.1372588 0.1372587 0.1372588), wk = 0.0031847 k( 24) = ( -0.1434978 0.1434978 0.1434978), wk = 0.0031847 k( 25) = ( -0.1497368 0.1497368 0.1497368), wk = 0.0031847 k( 26) = ( -0.1559759 0.1559759 0.1559759), wk = 0.0031847 k( 27) = ( -0.1622149 0.1622149 0.1622149), wk = 0.0031847 k( 28) = ( -0.1684539 0.1684539 0.1684539), wk = 0.0031847 k( 29) = ( -0.1746930 0.1746930 0.1746930), wk = 0.0031847 k( 30) = ( -0.1809320 0.1809320 0.1809320), wk = 0.0031847 k( 31) = ( -0.1871710 0.1871710 0.1871710), wk = 0.0031847 k( 32) = ( -0.1934101 0.1934101 0.1934101), wk = 0.0031847 k( 33) = ( -0.1996491 0.1996491 0.1996491), wk = 0.0031847 k( 34) = ( -0.2058881 0.2058881 0.2058881), wk = 0.0031847 k( 35) = ( -0.2121272 0.2121272 0.2121272), wk = 0.0031847 k( 36) = ( -0.2183662 0.2183662 0.2183662), wk = 0.0031847 k( 37) = ( -0.2246052 0.2246052 0.2246052), wk = 0.0031847 k( 38) = ( -0.2308443 0.2308443 0.2308443), wk = 0.0031847 k( 39) = ( -0.2370833 0.2370833 0.2370833), wk = 0.0031847 k( 40) = ( -0.2433223 0.2433223 0.2433223), wk = 0.0031847 k( 41) = ( -0.2495614 0.2495614 0.2495614), wk = 0.0031847 k( 42) = ( -0.2558004 0.2558004 0.2558004), wk = 0.0031847 k( 43) = ( -0.2620394 0.2620394 0.2620394), wk = 0.0031847 k( 44) = ( -0.2682785 0.2682785 0.2682785), wk = 0.0031847 k( 45) = ( -0.2745175 0.2745175 0.2745175), wk = 0.0031847 k( 46) = ( -0.2807565 0.2807565 0.2807565), wk = 0.0031847 k( 47) = ( -0.2807565 0.2807565 0.2807565), wk = 0.0031847 k( 48) = ( -0.2665849 0.2665849 0.2949282), wk = 0.0031847 k( 49) = ( -0.2524132 0.2524132 0.3090999), wk = 0.0031847 k( 50) = ( -0.2382415 0.2382415 0.3232716), wk = 0.0031847 k( 51) = ( -0.2240698 0.2240698 0.3374432), wk = 0.0031847 k( 52) = ( -0.2098982 0.2098982 0.3516149), wk = 0.0031847 k( 53) = ( -0.1957265 0.1957265 0.3657866), wk = 0.0031847 k( 54) = ( -0.1957265 0.1957265 0.3657866), wk = 0.0031847 k( 55) = ( -0.1806706 0.1806706 0.3761107), wk = 0.0031847 k( 56) = ( -0.1656147 0.1656147 0.3864348), wk = 0.0031847 k( 57) = ( -0.1505588 0.1505588 0.3967589), wk = 0.0031847 k( 58) = ( -0.1355030 0.1355030 0.4070830), wk = 0.0031847 k( 59) = ( -0.1204471 0.1204471 0.4174071), wk = 0.0031847 k( 60) = ( -0.1053912 0.1053912 0.4277312), wk = 0.0031847 k( 61) = ( -0.0903353 0.0903353 0.4380553), wk = 0.0031847 k( 62) = ( -0.0752794 0.0752794 0.4483795), wk = 0.0031847 k( 63) = ( -0.0602235 0.0602235 0.4587036), wk = 0.0031847 k( 64) = ( -0.0451676 0.0451676 0.4690277), wk = 0.0031847 k( 65) = ( -0.0301118 0.0301118 0.4793518), wk = 0.0031847 k( 66) = ( -0.0150559 0.0150559 0.4896759), wk = 0.0031847 k( 67) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031847 k( 68) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031847 k( 69) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0031847 k( 70) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0031847 k( 71) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0031847 k( 72) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0031847 k( 73) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0031847 k( 74) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0031847 k( 75) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0031847 k( 76) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0031847 k( 77) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0031847 k( 78) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0031847 k( 79) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0031847 k( 80) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0031847 k( 81) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0031847 k( 82) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031847 k( 83) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031847 k( 84) = ( 0.2352941 0.2647059 0.2352941), wk = 0.0031847 k( 85) = ( 0.2205882 0.2794118 0.2205882), wk = 0.0031847 k( 86) = ( 0.2058823 0.2941177 0.2058824), wk = 0.0031847 k( 87) = ( 0.1911765 0.3088235 0.1911765), wk = 0.0031847 k( 88) = ( 0.1764706 0.3235294 0.1764706), wk = 0.0031847 k( 89) = ( 0.1617647 0.3382353 0.1617647), wk = 0.0031847 k( 90) = ( 0.1470588 0.3529412 0.1470588), wk = 0.0031847 k( 91) = ( 0.1323529 0.3676471 0.1323529), wk = 0.0031847 k( 92) = ( 0.1176471 0.3823529 0.1176471), wk = 0.0031847 k( 93) = ( 0.1029412 0.3970588 0.1029412), wk = 0.0031847 k( 94) = ( 0.0882353 0.4117647 0.0882353), wk = 0.0031847 k( 95) = ( 0.0735294 0.4264706 0.0735294), wk = 0.0031847 k( 96) = ( 0.0588235 0.4411765 0.0588235), wk = 0.0031847 k( 97) = ( 0.0441177 0.4558823 0.0441177), wk = 0.0031847 k( 98) = ( 0.0294118 0.4705882 0.0294118), wk = 0.0031847 k( 99) = ( 0.0147059 0.4852941 0.0147059), wk = 0.0031847 k( 100) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031847 k( 101) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031847 k( 102) = ( 0.0187171 0.5146162 -0.0187171), wk = 0.0031847 k( 103) = ( 0.0374342 0.5292325 -0.0374342), wk = 0.0031847 k( 104) = ( 0.0561513 0.5438487 -0.0561513), wk = 0.0031847 k( 105) = ( 0.0748684 0.5584649 -0.0748684), wk = 0.0031847 k( 106) = ( 0.0935855 0.5730812 -0.0935855), wk = 0.0031847 k( 107) = ( 0.1123026 0.5876974 -0.1123026), wk = 0.0031847 k( 108) = ( 0.1310197 0.6023136 -0.1310197), wk = 0.0031847 k( 109) = ( 0.1497368 0.6169298 -0.1497368), wk = 0.0031847 k( 110) = ( 0.1684539 0.6315461 -0.1684539), wk = 0.0031847 k( 111) = ( 0.1871710 0.6461623 -0.1871710), wk = 0.0031847 k( 112) = ( 0.2058881 0.6607785 -0.2058881), wk = 0.0031847 k( 113) = ( 0.2246052 0.6753948 -0.2246052), wk = 0.0031847 k( 114) = ( 0.2433223 0.6900110 -0.2433223), wk = 0.0031847 k( 115) = ( 0.2620394 0.7046272 -0.2620394), wk = 0.0031847 k( 116) = ( 0.2807565 0.7192435 -0.2807565), wk = 0.0031847 k( 117) = ( 0.2807565 0.7192435 -0.2807565), wk = 0.0031847 k( 118) = ( 0.2870206 0.7129794 -0.2870206), wk = 0.0031847 k( 119) = ( 0.2932847 0.7067153 -0.2932847), wk = 0.0031847 k( 120) = ( 0.2995488 0.7004512 -0.2995488), wk = 0.0031847 k( 121) = ( 0.3058129 0.6941871 -0.3058129), wk = 0.0031847 k( 122) = ( 0.3120770 0.6879230 -0.3120770), wk = 0.0031847 k( 123) = ( 0.3183411 0.6816589 -0.3183411), wk = 0.0031847 k( 124) = ( 0.3246052 0.6753948 -0.3246052), wk = 0.0031847 k( 125) = ( 0.3308693 0.6691307 -0.3308693), wk = 0.0031847 k( 126) = ( 0.3371334 0.6628666 -0.3371334), wk = 0.0031847 k( 127) = ( 0.3433975 0.6566025 -0.3433975), wk = 0.0031847 k( 128) = ( 0.3496616 0.6503384 -0.3496616), wk = 0.0031847 k( 129) = ( 0.3559257 0.6440743 -0.3559257), wk = 0.0031847 k( 130) = ( 0.3621898 0.6378102 -0.3621898), wk = 0.0031847 k( 131) = ( 0.3684539 0.6315461 -0.3684539), wk = 0.0031847 k( 132) = ( 0.3747180 0.6252820 -0.3747180), wk = 0.0031847 k( 133) = ( 0.3809821 0.6190179 -0.3809821), wk = 0.0031847 k( 134) = ( 0.3872462 0.6127538 -0.3872462), wk = 0.0031847 k( 135) = ( 0.3935103 0.6064897 -0.3935103), wk = 0.0031847 k( 136) = ( 0.3997744 0.6002256 -0.3997744), wk = 0.0031847 k( 137) = ( 0.4060385 0.5939615 -0.4060385), wk = 0.0031847 k( 138) = ( 0.4123026 0.5876974 -0.4123026), wk = 0.0031847 k( 139) = ( 0.4185667 0.5814333 -0.4185667), wk = 0.0031847 k( 140) = ( 0.4248308 0.5751692 -0.4248308), wk = 0.0031847 k( 141) = ( 0.4310949 0.5689051 -0.4310949), wk = 0.0031847 k( 142) = ( 0.4373590 0.5626410 -0.4373590), wk = 0.0031847 k( 143) = ( 0.4436231 0.5563769 -0.4436231), wk = 0.0031847 k( 144) = ( 0.4498872 0.5501128 -0.4498872), wk = 0.0031847 k( 145) = ( 0.4561513 0.5438487 -0.4561513), wk = 0.0031847 k( 146) = ( 0.4624154 0.5375846 -0.4624154), wk = 0.0031847 k( 147) = ( 0.4686795 0.5313205 -0.4686795), wk = 0.0031847 k( 148) = ( 0.4749436 0.5250564 -0.4749436), wk = 0.0031847 k( 149) = ( 0.4812077 0.5187923 -0.4812077), wk = 0.0031847 k( 150) = ( 0.4874718 0.5125282 -0.4874718), wk = 0.0031847 k( 151) = ( 0.4937359 0.5062641 -0.4937359), wk = 0.0031847 k( 152) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031847 k( 153) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031847 k( 154) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0031847 k( 155) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0031847 k( 156) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0031847 k( 157) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0031847 k( 158) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0031847 k( 159) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0031847 k( 160) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0031847 k( 161) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0031847 k( 162) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0031847 k( 163) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0031847 k( 164) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0031847 k( 165) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0031847 k( 166) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0031847 k( 167) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0031847 k( 168) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0031847 k( 169) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0031847 k( 170) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0031847 k( 171) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0031847 k( 172) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0031847 k( 173) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0031847 k( 174) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0031847 k( 175) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0031847 k( 176) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0031847 k( 177) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0031847 k( 178) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0031847 k( 179) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0031847 k( 180) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0031847 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 183) = ( 0.0143093 -0.0143093 0.0143093), wk = 0.0031847 k( 184) = ( 0.0286186 -0.0286186 0.0286186), wk = 0.0031847 k( 185) = ( 0.0429279 -0.0429279 0.0429279), wk = 0.0031847 k( 186) = ( 0.0572372 -0.0572372 0.0572372), wk = 0.0031847 k( 187) = ( 0.0715465 -0.0715465 0.0715465), wk = 0.0031847 k( 188) = ( 0.0858558 -0.0858559 0.0858559), wk = 0.0031847 k( 189) = ( 0.1001652 -0.1001652 0.1001652), wk = 0.0031847 k( 190) = ( 0.1144745 -0.1144745 0.1144745), wk = 0.0031847 k( 191) = ( 0.1287838 -0.1287838 0.1287838), wk = 0.0031847 k( 192) = ( 0.1430931 -0.1430931 0.1430931), wk = 0.0031847 k( 193) = ( 0.1574024 -0.1574024 0.1574024), wk = 0.0031847 k( 194) = ( 0.1717117 -0.1717117 0.1717117), wk = 0.0031847 k( 195) = ( 0.1860210 -0.1860210 0.1860210), wk = 0.0031847 k( 196) = ( 0.2003303 -0.2003303 0.2003303), wk = 0.0031847 k( 197) = ( 0.2146396 -0.2146396 0.2146396), wk = 0.0031847 k( 198) = ( 0.2289489 -0.2289489 0.2289489), wk = 0.0031847 k( 199) = ( 0.2432582 -0.2432582 0.2432582), wk = 0.0031847 k( 200) = ( 0.2575675 -0.2575675 0.2575676), wk = 0.0031847 k( 201) = ( 0.2718769 -0.2718769 0.2718769), wk = 0.0031847 k( 202) = ( 0.2861862 -0.2861862 0.2861862), wk = 0.0031847 k( 203) = ( 0.3004955 -0.3004955 0.3004955), wk = 0.0031847 k( 204) = ( 0.3148048 -0.3148048 0.3148048), wk = 0.0031847 k( 205) = ( 0.3291141 -0.3291141 0.3291141), wk = 0.0031847 k( 206) = ( 0.3434234 -0.3434234 0.3434234), wk = 0.0031847 k( 207) = ( 0.3577327 -0.3577327 0.3577327), wk = 0.0031847 k( 208) = ( 0.3720420 -0.3720420 0.3720420), wk = 0.0031847 k( 209) = ( 0.3863513 -0.3863513 0.3863513), wk = 0.0031847 k( 210) = ( 0.4006606 -0.4006606 0.4006606), wk = 0.0031847 k( 211) = ( 0.4149699 -0.4149699 0.4149700), wk = 0.0031847 k( 212) = ( 0.4149699 -0.4149699 0.4149700), wk = 0.0031847 k( 213) = ( 0.4196938 -0.3919161 0.3919161), wk = 0.0031847 k( 214) = ( 0.4244177 -0.3688622 0.3688622), wk = 0.0031847 k( 215) = ( 0.4291416 -0.3458083 0.3458083), wk = 0.0031847 k( 216) = ( 0.4338655 -0.3227544 0.3227544), wk = 0.0031847 k( 217) = ( 0.4385894 -0.2997005 0.2997005), wk = 0.0031847 k( 218) = ( 0.4433133 -0.2766466 0.2766466), wk = 0.0031847 k( 219) = ( 0.4480372 -0.2535927 0.2535927), wk = 0.0031847 k( 220) = ( 0.4527611 -0.2305389 0.2305389), wk = 0.0031847 k( 221) = ( 0.4574850 -0.2074850 0.2074850), wk = 0.0031847 k( 222) = ( 0.4622089 -0.1844311 0.1844311), wk = 0.0031847 k( 223) = ( 0.4669328 -0.1613772 0.1613772), wk = 0.0031847 k( 224) = ( 0.4716567 -0.1383233 0.1383233), wk = 0.0031847 k( 225) = ( 0.4763805 -0.1152694 0.1152694), wk = 0.0031847 k( 226) = ( 0.4811044 -0.0922155 0.0922155), wk = 0.0031847 k( 227) = ( 0.4858283 -0.0691617 0.0691617), wk = 0.0031847 k( 228) = ( 0.4905522 -0.0461078 0.0461078), wk = 0.0031847 k( 229) = ( 0.4952761 -0.0230539 0.0230539), wk = 0.0031847 k( 230) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031847 k( 231) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031847 k( 232) = ( 0.4937500 0.0062500 0.0062500), wk = 0.0031847 k( 233) = ( 0.4875000 0.0125000 0.0125000), wk = 0.0031847 k( 234) = ( 0.4812500 0.0187500 0.0187500), wk = 0.0031847 k( 235) = ( 0.4750000 0.0250000 0.0250000), wk = 0.0031847 k( 236) = ( 0.4687500 0.0312500 0.0312500), wk = 0.0031847 k( 237) = ( 0.4625000 0.0375000 0.0375000), wk = 0.0031847 k( 238) = ( 0.4562500 0.0437500 0.0437500), wk = 0.0031847 k( 239) = ( 0.4500000 0.0500000 0.0500000), wk = 0.0031847 k( 240) = ( 0.4437500 0.0562500 0.0562500), wk = 0.0031847 k( 241) = ( 0.4375000 0.0625000 0.0625000), wk = 0.0031847 k( 242) = ( 0.4312500 0.0687500 0.0687500), wk = 0.0031847 k( 243) = ( 0.4250000 0.0750000 0.0750000), wk = 0.0031847 k( 244) = ( 0.4187500 0.0812500 0.0812500), wk = 0.0031847 k( 245) = ( 0.4125000 0.0875000 0.0875000), wk = 0.0031847 k( 246) = ( 0.4062500 0.0937500 0.0937500), wk = 0.0031847 k( 247) = ( 0.4000000 0.1000000 0.1000000), wk = 0.0031847 k( 248) = ( 0.3937500 0.1062500 0.1062500), wk = 0.0031847 k( 249) = ( 0.3875000 0.1125000 0.1125000), wk = 0.0031847 k( 250) = ( 0.3812500 0.1187500 0.1187500), wk = 0.0031847 k( 251) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0031847 k( 252) = ( 0.3687500 0.1312500 0.1312500), wk = 0.0031847 k( 253) = ( 0.3625000 0.1375000 0.1375000), wk = 0.0031847 k( 254) = ( 0.3562500 0.1437500 0.1437500), wk = 0.0031847 k( 255) = ( 0.3500000 0.1500000 0.1500000), wk = 0.0031847 k( 256) = ( 0.3437500 0.1562500 0.1562500), wk = 0.0031847 k( 257) = ( 0.3375000 0.1625000 0.1625000), wk = 0.0031847 k( 258) = ( 0.3312500 0.1687500 0.1687500), wk = 0.0031847 k( 259) = ( 0.3250000 0.1750000 0.1750000), wk = 0.0031847 k( 260) = ( 0.3187500 0.1812500 0.1812500), wk = 0.0031847 k( 261) = ( 0.3125000 0.1875000 0.1875000), wk = 0.0031847 k( 262) = ( 0.3062500 0.1937500 0.1937500), wk = 0.0031847 k( 263) = ( 0.3000000 0.2000000 0.2000000), wk = 0.0031847 k( 264) = ( 0.2937500 0.2062500 0.2062500), wk = 0.0031847 k( 265) = ( 0.2875000 0.2125000 0.2125000), wk = 0.0031847 k( 266) = ( 0.2812500 0.2187500 0.2187500), wk = 0.0031847 k( 267) = ( 0.2750000 0.2250000 0.2250000), wk = 0.0031847 k( 268) = ( 0.2687500 0.2312500 0.2312500), wk = 0.0031847 k( 269) = ( 0.2625000 0.2375000 0.2375000), wk = 0.0031847 k( 270) = ( 0.2562500 0.2437500 0.2437500), wk = 0.0031847 k( 271) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031847 k( 272) = ( 0.1957265 -0.1957265 0.6342134), wk = 0.0031847 k( 273) = ( 0.2019906 -0.2019906 0.6279493), wk = 0.0031847 k( 274) = ( 0.2082547 -0.2082547 0.6216852), wk = 0.0031847 k( 275) = ( 0.2145188 -0.2145188 0.6154211), wk = 0.0031847 k( 276) = ( 0.2207829 -0.2207829 0.6091570), wk = 0.0031847 k( 277) = ( 0.2270470 -0.2270470 0.6028929), wk = 0.0031847 k( 278) = ( 0.2333111 -0.2333111 0.5966288), wk = 0.0031847 k( 279) = ( 0.2395752 -0.2395752 0.5903647), wk = 0.0031847 k( 280) = ( 0.2458393 -0.2458393 0.5841006), wk = 0.0031847 k( 281) = ( 0.2521034 -0.2521034 0.5778365), wk = 0.0031847 k( 282) = ( 0.2583675 -0.2583675 0.5715724), wk = 0.0031847 k( 283) = ( 0.2646316 -0.2646316 0.5653083), wk = 0.0031847 k( 284) = ( 0.2708957 -0.2708957 0.5590442), wk = 0.0031847 k( 285) = ( 0.2771598 -0.2771598 0.5527801), wk = 0.0031847 k( 286) = ( 0.2834239 -0.2834239 0.5465160), wk = 0.0031847 k( 287) = ( 0.2896880 -0.2896880 0.5402519), wk = 0.0031847 k( 288) = ( 0.2959521 -0.2959521 0.5339878), wk = 0.0031847 k( 289) = ( 0.3022162 -0.3022162 0.5277237), wk = 0.0031847 k( 290) = ( 0.3084803 -0.3084803 0.5214596), wk = 0.0031847 k( 291) = ( 0.3147444 -0.3147444 0.5151955), wk = 0.0031847 k( 292) = ( 0.3210085 -0.3210085 0.5089314), wk = 0.0031847 k( 293) = ( 0.3272726 -0.3272726 0.5026673), wk = 0.0031847 k( 294) = ( 0.3335367 -0.3335367 0.4964032), wk = 0.0031847 k( 295) = ( 0.3398008 -0.3398008 0.4901391), wk = 0.0031847 k( 296) = ( 0.3460649 -0.3460649 0.4838750), wk = 0.0031847 k( 297) = ( 0.3523290 -0.3523290 0.4776109), wk = 0.0031847 k( 298) = ( 0.3585931 -0.3585931 0.4713468), wk = 0.0031847 k( 299) = ( 0.3648572 -0.3648572 0.4650827), wk = 0.0031847 k( 300) = ( 0.3711213 -0.3711213 0.4588186), wk = 0.0031847 k( 301) = ( 0.3773854 -0.3773854 0.4525545), wk = 0.0031847 k( 302) = ( 0.3836495 -0.3836495 0.4462904), wk = 0.0031847 k( 303) = ( 0.3899135 -0.3899135 0.4400263), wk = 0.0031847 k( 304) = ( 0.3961776 -0.3961776 0.4337622), wk = 0.0031847 k( 305) = ( 0.4024417 -0.4024417 0.4274981), wk = 0.0031847 k( 306) = ( 0.4087058 -0.4087059 0.4212341), wk = 0.0031847 k( 307) = ( 0.4149699 -0.4149699 0.4149700), wk = 0.0031847 k( 308) = ( 0.5850300 0.4149700 -0.4149700), wk = 0.0031847 k( 309) = ( 0.5708584 0.4291416 -0.4291416), wk = 0.0031847 k( 310) = ( 0.5566867 0.4433133 -0.4433133), wk = 0.0031847 k( 311) = ( 0.5425150 0.4574850 -0.4574850), wk = 0.0031847 k( 312) = ( 0.5283433 0.4716567 -0.4716567), wk = 0.0031847 k( 313) = ( 0.5141717 0.4858283 -0.4858283), wk = 0.0031847 k( 314) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031847 Dense grid: 215951 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 137165 G-vectors FFT dimensions: ( 81, 81, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.36 Mb ( 488, 48) NL pseudopotentials 0.84 Mb ( 244, 226) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.02 Mb ( 3000) G-vector shells 0.02 Mb ( 2912) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.43 Mb ( 488, 192) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.33 Mb ( 226, 2, 48) The potential is recalculated from file : ./Cs2Te2Pt.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.1 secs Computing kpt #: 2 total cpu time spent up to now is 6.9 secs Computing kpt #: 3 total cpu time spent up to now is 8.7 secs Computing kpt #: 4 total cpu time spent up to now is 10.5 secs Computing kpt #: 5 total cpu time spent up to now is 12.3 secs Computing kpt #: 6 total cpu time spent up to now is 14.2 secs Computing kpt #: 7 total cpu time spent up to now is 16.1 secs Computing kpt #: 8 total cpu time spent up to now is 17.9 secs Computing kpt #: 9 total cpu time spent up to now is 19.7 secs Computing kpt #: 10 total cpu time spent up to now is 21.8 secs Computing kpt #: 11 total cpu time spent up to now is 23.6 secs Computing kpt #: 12 total cpu time spent up to now is 25.4 secs Computing kpt #: 13 total cpu time spent up to now is 27.2 secs Computing kpt #: 14 total cpu time spent up to now is 29.1 secs Computing kpt #: 15 total cpu time spent up to now is 30.9 secs Computing kpt #: 16 total cpu time spent up to now is 33.9 secs Computing kpt #: 17 total cpu time spent up to now is 35.9 secs Computing kpt #: 18 total cpu time spent up to now is 38.0 secs Computing kpt #: 19 total cpu time spent up to now is 40.1 secs Computing kpt #: 20 total cpu time spent up to now is 42.3 secs Computing kpt #: 21 total cpu time spent up to now is 44.5 secs Computing kpt #: 22 total cpu time spent up to now is 46.8 secs Computing kpt #: 23 total cpu time spent up to now is 49.2 secs Computing kpt #: 24 total cpu time spent up to now is 51.5 secs Computing kpt #: 25 total cpu time spent up to now is 53.8 secs Computing kpt #: 26 total cpu time spent up to now is 56.6 secs Computing kpt #: 27 total cpu time spent up to now is 58.8 secs Computing kpt #: 28 total cpu time spent up to now is 61.1 secs Computing kpt #: 29 total cpu time spent up to now is 63.3 secs Computing kpt #: 30 total cpu time spent up to now is 65.4 secs Computing kpt #: 31 total cpu time spent up to now is 67.5 secs Computing kpt #: 32 total cpu time spent up to now is 69.7 secs Computing kpt #: 33 total cpu time spent up to now is 71.8 secs Computing kpt #: 34 total cpu time spent up to now is 74.0 secs Computing kpt #: 35 total cpu time spent up to now is 76.1 secs Computing kpt #: 36 total cpu time spent up to now is 78.2 secs Computing kpt #: 37 total cpu time spent up to now is 80.4 secs Computing kpt #: 38 total cpu time spent up to now is 82.5 secs Computing kpt #: 39 total cpu time spent up to now is 84.7 secs Computing kpt #: 40 total cpu time spent up to now is 87.0 secs Computing kpt #: 41 total cpu time spent up to now is 89.5 secs Computing kpt #: 42 total cpu time spent up to now is 92.8 secs Computing kpt #: 43 total cpu time spent up to now is 96.0 secs Computing kpt #: 44 total cpu time spent up to now is 98.8 secs Computing kpt #: 45 total cpu time spent up to now is 101.6 secs Computing kpt #: 46 total cpu time spent up to now is 103.9 secs Computing kpt #: 47 total cpu time spent up to now is 106.6 secs Computing kpt #: 48 total cpu time spent up to now is 109.1 secs Computing kpt #: 49 total cpu time spent up to now is 111.8 secs Computing kpt #: 50 total cpu time spent up to now is 114.4 secs Computing kpt #: 51 total cpu time spent up to now is 116.7 secs Computing kpt #: 52 total cpu time spent up to now is 119.0 secs Computing kpt #: 53 total cpu time spent up to now is 121.5 secs Computing kpt #: 54 total cpu time spent up to now is 124.1 secs Computing kpt #: 55 total cpu time spent up to now is 126.7 secs Computing kpt #: 56 total cpu time spent up to now is 129.4 secs Computing kpt #: 57 total cpu time spent up to now is 132.2 secs Computing kpt #: 58 total cpu time spent up to now is 135.0 secs Computing kpt #: 59 total cpu time spent up to now is 137.8 secs Computing kpt #: 60 total cpu time spent up to now is 140.5 secs Computing kpt #: 61 total cpu time spent up to now is 143.1 secs Computing kpt #: 62 total cpu time spent up to now is 145.9 secs Computing kpt #: 63 total cpu time spent up to now is 148.6 secs Computing kpt #: 64 total cpu time spent up to now is 151.3 secs Computing kpt #: 65 total cpu time spent up to now is 153.8 secs Computing kpt #: 66 total cpu time spent up to now is 156.2 secs Computing kpt #: 67 total cpu time spent up to now is 158.8 secs Computing kpt #: 68 total cpu time spent up to now is 161.2 secs Computing kpt #: 69 total cpu time spent up to now is 163.8 secs Computing kpt #: 70 total cpu time spent up to now is 166.1 secs Computing kpt #: 71 total cpu time spent up to now is 168.3 secs Computing kpt #: 72 total cpu time spent up to now is 170.6 secs Computing kpt #: 73 total cpu time spent up to now is 172.8 secs Computing kpt #: 74 total cpu time spent up to now is 174.9 secs Computing kpt #: 75 total cpu time spent up to now is 177.0 secs Computing kpt #: 76 total cpu time spent up to now is 179.2 secs Computing kpt #: 77 total cpu time spent up to now is 181.3 secs Computing kpt #: 78 total cpu time spent up to now is 183.3 secs Computing kpt #: 79 total cpu time spent up to now is 185.5 secs Computing kpt #: 80 total cpu time spent up to now is 187.5 secs Computing kpt #: 81 total cpu time spent up to now is 189.6 secs Computing kpt #: 82 total cpu time spent up to now is 191.7 secs Computing kpt #: 83 total cpu time spent up to now is 193.8 secs Computing kpt #: 84 total cpu time spent up to now is 195.9 secs Computing kpt #: 85 total cpu time spent up to now is 197.9 secs Computing kpt #: 86 total cpu time spent up to now is 200.0 secs Computing kpt #: 87 total cpu time spent up to now is 202.1 secs Computing kpt #: 88 total cpu time spent up to now is 204.2 secs Computing kpt #: 89 total cpu time spent up to now is 206.3 secs Computing kpt #: 90 total cpu time spent up to now is 208.3 secs Computing kpt #: 91 total cpu time spent up to now is 210.4 secs Computing kpt #: 92 total cpu time spent up to now is 212.5 secs Computing kpt #: 93 total cpu time spent up to now is 214.6 secs Computing kpt #: 94 total cpu time spent up to now is 216.6 secs Computing kpt #: 95 total cpu time spent up to now is 218.7 secs Computing kpt #: 96 total cpu time spent up to now is 220.9 secs Computing kpt #: 97 total cpu time spent up to now is 223.1 secs Computing kpt #: 98 total cpu time spent up to now is 225.3 secs Computing kpt #: 99 total cpu time spent up to now is 227.7 secs Computing kpt #: 100 total cpu time spent up to now is 230.2 secs Computing kpt #: 101 total cpu time spent up to now is 232.8 secs Computing kpt #: 102 total cpu time spent up to now is 235.4 secs Computing kpt #: 103 total cpu time spent up to now is 237.9 secs Computing kpt #: 104 total cpu time spent up to now is 240.5 secs Computing kpt #: 105 total cpu time spent up to now is 243.1 secs Computing kpt #: 106 total cpu time spent up to now is 245.7 secs Computing kpt #: 107 total cpu time spent up to now is 248.3 secs Computing kpt #: 108 total cpu time spent up to now is 250.9 secs Computing kpt #: 109 total cpu time spent up to now is 253.5 secs Computing kpt #: 110 total cpu time spent up to now is 256.3 secs Computing kpt #: 111 total cpu time spent up to now is 259.4 secs Computing kpt #: 112 total cpu time spent up to now is 262.1 secs Computing kpt #: 113 total cpu time spent up to now is 264.4 secs Computing kpt #: 114 total cpu time spent up to now is 267.2 secs Computing kpt #: 115 total cpu time spent up to now is 270.0 secs Computing kpt #: 116 total cpu time spent up to now is 272.7 secs Computing kpt #: 117 total cpu time spent up to now is 275.3 secs Computing kpt #: 118 total cpu time spent up to now is 277.9 secs Computing kpt #: 119 total cpu time spent up to now is 280.3 secs Computing kpt #: 120 total cpu time spent up to now is 282.6 secs Computing kpt #: 121 total cpu time spent up to now is 284.8 secs Computing kpt #: 122 total cpu time spent up to now is 287.1 secs Computing kpt #: 123 total cpu time spent up to now is 289.4 secs Computing kpt #: 124 total cpu time spent up to now is 291.6 secs Computing kpt #: 125 total cpu time spent up to now is 293.9 secs Computing kpt #: 126 total cpu time spent up to now is 296.2 secs Computing kpt #: 127 total cpu time spent up to now is 298.5 secs Computing kpt #: 128 total cpu time spent up to now is 300.7 secs Computing kpt #: 129 total cpu time spent up to now is 303.0 secs Computing kpt #: 130 total cpu time spent up to now is 305.3 secs Computing kpt #: 131 total cpu time spent up to now is 307.7 secs Computing kpt #: 132 total cpu time spent up to now is 310.0 secs Computing kpt #: 133 total cpu time spent up to now is 312.5 secs Computing kpt #: 134 total cpu time spent up to now is 315.2 secs Computing kpt #: 135 total cpu time spent up to now is 317.7 secs Computing kpt #: 136 total cpu time spent up to now is 320.1 secs Computing kpt #: 137 total cpu time spent up to now is 322.9 secs Computing kpt #: 138 total cpu time spent up to now is 325.8 secs Computing kpt #: 139 total cpu time spent up to now is 330.4 secs Computing kpt #: 140 total cpu time spent up to now is 333.2 secs Computing kpt #: 141 total cpu time spent up to now is 335.8 secs Computing kpt #: 142 total cpu time spent up to now is 338.2 secs Computing kpt #: 143 total cpu time spent up to now is 340.6 secs Computing kpt #: 144 total cpu time spent up to now is 342.9 secs Computing kpt #: 145 total cpu time spent up to now is 345.1 secs Computing kpt #: 146 total cpu time spent up to now is 347.4 secs Computing kpt #: 147 total cpu time spent up to now is 349.6 secs Computing kpt #: 148 total cpu time spent up to now is 351.8 secs Computing kpt #: 149 total cpu time spent up to now is 353.9 secs Computing kpt #: 150 total cpu time spent up to now is 356.2 secs Computing kpt #: 151 total cpu time spent up to now is 358.4 secs Computing kpt #: 152 total cpu time spent up to now is 360.5 secs Computing kpt #: 153 total cpu time spent up to now is 362.7 secs Computing kpt #: 154 total cpu time spent up to now is 364.8 secs Computing kpt #: 155 total cpu time spent up to now is 366.9 secs Computing kpt #: 156 total cpu time spent up to now is 369.3 secs Computing kpt #: 157 total cpu time spent up to now is 371.4 secs Computing kpt #: 158 total cpu time spent up to now is 373.5 secs Computing kpt #: 159 total cpu time spent up to now is 375.5 secs Computing kpt #: 160 total cpu time spent up to now is 377.6 secs Computing kpt #: 161 total cpu time spent up to now is 379.7 secs Computing kpt #: 162 total cpu time spent up to now is 381.8 secs Computing kpt #: 163 total cpu time spent up to now is 383.9 secs Computing kpt #: 164 total cpu time spent up to now is 386.0 secs Computing kpt #: 165 total cpu time spent up to now is 388.1 secs Computing kpt #: 166 total cpu time spent up to now is 390.1 secs Computing kpt #: 167 total cpu time spent up to now is 392.2 secs Computing kpt #: 168 total cpu time spent up to now is 394.3 secs Computing kpt #: 169 total cpu time spent up to now is 396.3 secs Computing kpt #: 170 total cpu time spent up to now is 398.4 secs Computing kpt #: 171 total cpu time spent up to now is 400.5 secs Computing kpt #: 172 total cpu time spent up to now is 402.3 secs Computing kpt #: 173 total cpu time spent up to now is 404.1 secs Computing kpt #: 174 total cpu time spent up to now is 405.9 secs Computing kpt #: 175 total cpu time spent up to now is 407.8 secs Computing kpt #: 176 total cpu time spent up to now is 409.6 secs Computing kpt #: 177 total cpu time spent up to now is 411.4 secs Computing kpt #: 178 total cpu time spent up to now is 413.3 secs Computing kpt #: 179 total cpu time spent up to now is 415.1 secs Computing kpt #: 180 total cpu time spent up to now is 416.9 secs Computing kpt #: 181 total cpu time spent up to now is 418.8 secs Computing kpt #: 182 total cpu time spent up to now is 420.6 secs Computing kpt #: 183 total cpu time spent up to now is 422.4 secs Computing kpt #: 184 total cpu time spent up to now is 424.2 secs Computing kpt #: 185 total cpu time spent up to now is 426.0 secs Computing kpt #: 186 total cpu time spent up to now is 427.8 secs Computing kpt #: 187 total cpu time spent up to now is 429.7 secs Computing kpt #: 188 total cpu time spent up to now is 431.4 secs Computing kpt #: 189 total cpu time spent up to now is 433.2 secs Computing kpt #: 190 total cpu time spent up to now is 435.0 secs Computing kpt #: 191 total cpu time spent up to now is 436.8 secs Computing kpt #: 192 total cpu time spent up to now is 438.9 secs Computing kpt #: 193 total cpu time spent up to now is 441.0 secs Computing kpt #: 194 total cpu time spent up to now is 443.2 secs Computing kpt #: 195 total cpu time spent up to now is 445.2 secs Computing kpt #: 196 total cpu time spent up to now is 447.3 secs Computing kpt #: 197 total cpu time spent up to now is 449.5 secs Computing kpt #: 198 total cpu time spent up to now is 451.6 secs Computing kpt #: 199 total cpu time spent up to now is 453.7 secs Computing kpt #: 200 total cpu time spent up to now is 455.8 secs Computing kpt #: 201 total cpu time spent up to now is 458.1 secs Computing kpt #: 202 total cpu time spent up to now is 460.6 secs Computing kpt #: 203 total cpu time spent up to now is 462.7 secs Computing kpt #: 204 total cpu time spent up to now is 464.9 secs Computing kpt #: 205 total cpu time spent up to now is 467.0 secs Computing kpt #: 206 total cpu time spent up to now is 469.2 secs Computing kpt #: 207 total cpu time spent up to now is 471.4 secs Computing kpt #: 208 total cpu time spent up to now is 473.7 secs Computing kpt #: 209 total cpu time spent up to now is 475.9 secs Computing kpt #: 210 total cpu time spent up to now is 478.1 secs Computing kpt #: 211 total cpu time spent up to now is 480.3 secs Computing kpt #: 212 total cpu time spent up to now is 482.5 secs Computing kpt #: 213 total cpu time spent up to now is 484.7 secs Computing kpt #: 214 total cpu time spent up to now is 486.9 secs Computing kpt #: 215 total cpu time spent up to now is 489.1 secs Computing kpt #: 216 total cpu time spent up to now is 491.6 secs Computing kpt #: 217 total cpu time spent up to now is 493.9 secs Computing kpt #: 218 total cpu time spent up to now is 496.1 secs Computing kpt #: 219 total cpu time spent up to now is 498.3 secs Computing kpt #: 220 total cpu time spent up to now is 500.6 secs Computing kpt #: 221 total cpu time spent up to now is 503.2 secs Computing kpt #: 222 total cpu time spent up to now is 505.5 secs Computing kpt #: 223 total cpu time spent up to now is 507.7 secs Computing kpt #: 224 total cpu time spent up to now is 510.1 secs Computing kpt #: 225 total cpu time spent up to now is 512.3 secs Computing kpt #: 226 total cpu time spent up to now is 514.5 secs Computing kpt #: 227 total cpu time spent up to now is 516.7 secs Computing kpt #: 228 total cpu time spent up to now is 518.9 secs Computing kpt #: 229 total cpu time spent up to now is 521.1 secs Computing kpt #: 230 total cpu time spent up to now is 523.3 secs Computing kpt #: 231 total cpu time spent up to now is 525.6 secs Computing kpt #: 232 total cpu time spent up to now is 527.8 secs Computing kpt #: 233 total cpu time spent up to now is 530.0 secs Computing kpt #: 234 total cpu time spent up to now is 532.3 secs Computing kpt #: 235 total cpu time spent up to now is 534.5 secs Computing kpt #: 236 total cpu time spent up to now is 536.7 secs Computing kpt #: 237 total cpu time spent up to now is 539.0 secs Computing kpt #: 238 total cpu time spent up to now is 541.2 secs Computing kpt #: 239 total cpu time spent up to now is 543.6 secs Computing kpt #: 240 total cpu time spent up to now is 545.8 secs Computing kpt #: 241 total cpu time spent up to now is 548.0 secs Computing kpt #: 242 total cpu time spent up to now is 550.3 secs Computing kpt #: 243 total cpu time spent up to now is 552.6 secs Computing kpt #: 244 total cpu time spent up to now is 554.9 secs Computing kpt #: 245 total cpu time spent up to now is 557.2 secs Computing kpt #: 246 total cpu time spent up to now is 559.5 secs Computing kpt #: 247 total cpu time spent up to now is 561.9 secs Computing kpt #: 248 total cpu time spent up to now is 564.2 secs Computing kpt #: 249 total cpu time spent up to now is 566.5 secs Computing kpt #: 250 total cpu time spent up to now is 568.7 secs Computing kpt #: 251 total cpu time spent up to now is 571.0 secs Computing kpt #: 252 total cpu time spent up to now is 573.3 secs Computing kpt #: 253 total cpu time spent up to now is 575.7 secs Computing kpt #: 254 total cpu time spent up to now is 578.0 secs Computing kpt #: 255 total cpu time spent up to now is 581.3 secs Computing kpt #: 256 total cpu time spent up to now is 583.5 secs Computing kpt #: 257 total cpu time spent up to now is 585.8 secs Computing kpt #: 258 total cpu time spent up to now is 588.0 secs Computing kpt #: 259 total cpu time spent up to now is 590.1 secs Computing kpt #: 260 total cpu time spent up to now is 592.3 secs Computing kpt #: 261 total cpu time spent up to now is 594.4 secs Computing kpt #: 262 total cpu time spent up to now is 596.5 secs Computing kpt #: 263 total cpu time spent up to now is 598.6 secs Computing kpt #: 264 total cpu time spent up to now is 600.6 secs Computing kpt #: 265 total cpu time spent up to now is 602.7 secs Computing kpt #: 266 total cpu time spent up to now is 604.7 secs Computing kpt #: 267 total cpu time spent up to now is 606.8 secs Computing kpt #: 268 total cpu time spent up to now is 608.8 secs Computing kpt #: 269 total cpu time spent up to now is 610.8 secs Computing kpt #: 270 total cpu time spent up to now is 612.9 secs Computing kpt #: 271 total cpu time spent up to now is 615.0 secs Computing kpt #: 272 total cpu time spent up to now is 617.6 secs Computing kpt #: 273 total cpu time spent up to now is 620.2 secs Computing kpt #: 274 total cpu time spent up to now is 622.8 secs Computing kpt #: 275 total cpu time spent up to now is 625.1 secs Computing kpt #: 276 total cpu time spent up to now is 627.3 secs Computing kpt #: 277 total cpu time spent up to now is 629.6 secs Computing kpt #: 278 total cpu time spent up to now is 631.8 secs Computing kpt #: 279 total cpu time spent up to now is 634.0 secs Computing kpt #: 280 total cpu time spent up to now is 636.1 secs Computing kpt #: 281 total cpu time spent up to now is 638.8 secs Computing kpt #: 282 total cpu time spent up to now is 640.9 secs Computing kpt #: 283 total cpu time spent up to now is 643.0 secs Computing kpt #: 284 total cpu time spent up to now is 645.1 secs Computing kpt #: 285 total cpu time spent up to now is 647.3 secs Computing kpt #: 286 total cpu time spent up to now is 649.5 secs Computing kpt #: 287 total cpu time spent up to now is 651.7 secs Computing kpt #: 288 total cpu time spent up to now is 653.9 secs Computing kpt #: 289 total cpu time spent up to now is 656.1 secs Computing kpt #: 290 total cpu time spent up to now is 658.3 secs Computing kpt #: 291 total cpu time spent up to now is 660.7 secs Computing kpt #: 292 total cpu time spent up to now is 663.1 secs Computing kpt #: 293 total cpu time spent up to now is 665.8 secs Computing kpt #: 294 total cpu time spent up to now is 668.7 secs Computing kpt #: 295 total cpu time spent up to now is 672.1 secs Computing kpt #: 296 total cpu time spent up to now is 675.9 secs Computing kpt #: 297 total cpu time spent up to now is 678.6 secs Computing kpt #: 298 total cpu time spent up to now is 681.1 secs Computing kpt #: 299 total cpu time spent up to now is 683.4 secs Computing kpt #: 300 total cpu time spent up to now is 685.7 secs Computing kpt #: 301 total cpu time spent up to now is 688.0 secs Computing kpt #: 302 total cpu time spent up to now is 690.2 secs Computing kpt #: 303 total cpu time spent up to now is 692.4 secs Computing kpt #: 304 total cpu time spent up to now is 694.6 secs Computing kpt #: 305 total cpu time spent up to now is 696.7 secs Computing kpt #: 306 total cpu time spent up to now is 698.8 secs Computing kpt #: 307 total cpu time spent up to now is 701.0 secs Computing kpt #: 308 total cpu time spent up to now is 703.3 secs Computing kpt #: 309 total cpu time spent up to now is 705.4 secs Computing kpt #: 310 total cpu time spent up to now is 707.5 secs Computing kpt #: 311 total cpu time spent up to now is 709.7 secs Computing kpt #: 312 total cpu time spent up to now is 711.8 secs Computing kpt #: 313 total cpu time spent up to now is 714.1 secs Computing kpt #: 314 total cpu time spent up to now is 716.2 secs ethr = 2.50E-08, avg # of iterations = 31.2 total cpu time spent up to now is 716.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 17225 PWs) bands (ev): -15.5194 -15.5194 -15.4809 -15.4809 -5.3332 -5.3332 -4.8600 -4.8600 -4.2507 -4.2507 -4.0293 -4.0293 -3.0372 -3.0372 -2.6968 -2.6968 -2.4640 -2.4640 -2.3954 -2.3954 1.4486 1.4486 1.9808 1.9808 2.8453 2.8453 3.5926 3.5926 3.7102 3.7102 3.7459 3.7459 4.4075 4.4075 4.5089 4.5089 5.3337 5.3337 5.4279 5.4279 7.2432 7.2432 7.3208 7.3208 7.5157 7.5157 7.9532 7.9532 k =-0.0062 0.0071 0.0218 ( 17213 PWs) bands (ev): -15.5192 -15.5192 -15.4807 -15.4807 -5.3324 -5.3324 -4.8596 -4.8596 -4.2508 -4.2508 -4.0296 -4.0296 -3.0369 -3.0369 -2.6966 -2.6966 -2.4656 -2.4656 -2.3970 -2.3970 1.4499 1.4499 1.9802 1.9802 2.8456 2.8456 3.5830 3.5830 3.7051 3.7051 3.7579 3.7579 4.4054 4.4054 4.5112 4.5112 5.3286 5.3286 5.4279 5.4279 7.2437 7.2437 7.3175 7.3175 7.5200 7.5200 7.9538 7.9538 k =-0.0125 0.0141 0.0436 ( 17197 PWs) bands (ev): -15.5186 -15.5186 -15.4802 -15.4802 -5.3298 -5.3298 -4.8582 -4.8582 -4.2510 -4.2510 -4.0305 -4.0305 -3.0357 -3.0357 -2.6962 -2.6962 -2.4706 -2.4706 -2.4017 -2.4017 1.4538 1.4538 1.9785 1.9785 2.8463 2.8463 3.5577 3.5577 3.6973 3.6973 3.7829 3.7829 4.3996 4.3996 4.5177 4.5177 5.3138 5.3138 5.4276 5.4276 7.2362 7.2362 7.3173 7.3173 7.5329 7.5329 7.9555 7.9555 k =-0.0187 0.0212 0.0654 ( 17193 PWs) bands (ev): -15.5177 -15.5177 -15.4793 -15.4793 -5.3256 -5.3256 -4.8560 -4.8560 -4.2513 -4.2513 -4.0320 -4.0320 -3.0338 -3.0338 -2.6954 -2.6954 -2.4788 -2.4788 -2.4095 -2.4095 1.4603 1.4603 1.9756 1.9756 2.8474 2.8474 3.5228 3.5228 3.6894 3.6894 3.8120 3.8120 4.3911 4.3911 4.5273 4.5273 5.2910 5.2910 5.4264 5.4264 7.2052 7.2052 7.3366 7.3366 7.5541 7.5541 7.9584 7.9584 k =-0.0250 0.0282 0.0872 ( 17193 PWs) bands (ev): -15.5163 -15.5163 -15.4781 -15.4781 -5.3196 -5.3196 -4.8529 -4.8529 -4.2517 -4.2517 -4.0342 -4.0342 -3.0312 -3.0312 -2.6943 -2.6943 -2.4901 -2.4901 -2.4203 -2.4203 1.4694 1.4694 1.9718 1.9718 2.8490 2.8490 3.4819 3.4819 3.6807 3.6807 3.8421 3.8421 4.3809 4.3809 4.5390 4.5390 5.2621 5.2621 5.4238 5.4238 7.1539 7.1539 7.3736 7.3736 7.5835 7.5835 7.9626 7.9626 k =-0.0312 0.0353 0.1090 ( 17201 PWs) bands (ev): -15.5147 -15.5147 -15.4765 -15.4765 -5.3121 -5.3121 -4.8489 -4.8489 -4.2523 -4.2523 -4.0370 -4.0370 -3.0278 -3.0278 -2.6930 -2.6930 -2.5043 -2.5043 -2.4340 -2.4340 1.4809 1.4809 1.9669 1.9669 2.8508 2.8508 3.4365 3.4365 3.6705 3.6705 3.8717 3.8717 4.3701 4.3701 4.5520 4.5520 5.2288 5.2288 5.4196 5.4196 7.0896 7.0896 7.4228 7.4228 7.6207 7.6207 7.9682 7.9682 k =-0.0374 0.0423 0.1308 ( 17195 PWs) bands (ev): -15.5126 -15.5126 -15.4746 -15.4746 -5.3029 -5.3029 -4.8441 -4.8441 -4.2530 -4.2530 -4.0405 -4.0405 -3.0238 -3.0238 -2.6913 -2.6913 -2.5214 -2.5214 -2.4502 -2.4502 1.4948 1.4948 1.9613 1.9613 2.8528 2.8528 3.3873 3.3873 3.6584 3.6584 3.9000 3.9000 4.3594 4.3594 4.5657 4.5657 5.1929 5.1929 5.4137 5.4137 7.0171 7.0171 7.4812 7.4812 7.6652 7.6652 7.9753 7.9753 k =-0.0437 0.0494 0.1526 ( 17179 PWs) bands (ev): -15.5103 -15.5103 -15.4724 -15.4724 -5.2921 -5.2921 -4.8384 -4.8384 -4.2540 -4.2540 -4.0446 -4.0446 -3.0190 -3.0190 -2.6895 -2.6895 -2.5409 -2.5409 -2.4689 -2.4689 1.5111 1.5111 1.9550 1.9550 2.8547 2.8547 3.3345 3.3345 3.6445 3.6445 3.9264 3.9264 4.3493 4.3493 4.5794 4.5794 5.1557 5.1557 5.4063 5.4063 6.9399 6.9399 7.5467 7.5467 7.7165 7.7165 7.9839 7.9839 k =-0.0499 0.0564 0.1744 ( 17177 PWs) bands (ev): -15.5075 -15.5075 -15.4699 -15.4699 -5.2798 -5.2798 -4.8320 -4.8320 -4.2553 -4.2553 -4.0493 -4.0493 -3.0136 -3.0136 -2.6873 -2.6873 -2.5628 -2.5628 -2.4898 -2.4898 1.5296 1.5296 1.9480 1.9480 2.8563 2.8563 3.2784 3.2784 3.6289 3.6289 3.9504 3.9504 4.3404 4.3404 4.5926 4.5926 5.1187 5.1187 5.3974 5.3974 6.8611 6.8611 7.6178 7.6178 7.7740 7.7740 7.9943 7.9943 k =-0.0562 0.0635 0.1962 ( 17173 PWs) bands (ev): -15.5045 -15.5045 -15.4671 -15.4671 -5.2661 -5.2661 -4.8247 -4.8247 -4.2568 -4.2568 -4.0548 -4.0548 -3.0077 -3.0077 -2.6850 -2.6850 -2.5865 -2.5865 -2.5126 -2.5126 1.5501 1.5501 1.9407 1.9407 2.8569 2.8569 3.2194 3.2194 3.6117 3.6117 3.9718 3.9718 4.3329 4.3329 4.6045 4.6045 5.0828 5.0828 5.3871 5.3871 6.7833 6.7833 7.6927 7.6927 7.8369 7.8369 8.0069 8.0069 k =-0.0624 0.0705 0.2181 ( 17183 PWs) bands (ev): -15.5012 -15.5012 -15.4640 -15.4640 -5.2510 -5.2510 -4.8168 -4.8168 -4.2587 -4.2587 -4.0610 -4.0610 -3.0011 -3.0011 -2.6826 -2.6826 -2.6119 -2.6119 -2.5370 -2.5370 1.5725 1.5725 1.9331 1.9331 2.8557 2.8557 3.1584 3.1584 3.5935 3.5935 3.9902 3.9902 4.3267 4.3267 4.6146 4.6146 5.0490 5.0490 5.3753 5.3753 6.7090 6.7090 7.7695 7.7695 7.9044 7.9044 8.0226 8.0226 k =-0.0686 0.0776 0.2399 ( 17191 PWs) bands (ev): -15.4976 -15.4976 -15.4606 -15.4606 -5.2346 -5.2346 -4.8081 -4.8081 -4.2610 -4.2610 -4.0678 -4.0678 -2.9941 -2.9941 -2.6804 -2.6804 -2.6382 -2.6382 -2.5628 -2.5628 1.5966 1.5966 1.9254 1.9254 2.8507 2.8507 3.0975 3.0975 3.5746 3.5746 4.0057 4.0057 4.3212 4.3212 4.6223 4.6223 5.0180 5.0180 5.3620 5.3620 6.6404 6.6404 7.8447 7.8447 7.9755 7.9755 8.0439 8.0439 k =-0.0749 0.0846 0.2617 ( 17177 PWs) bands (ev): -15.4938 -15.4938 -15.4571 -15.4571 -5.2169 -5.2169 -4.7988 -4.7988 -4.2638 -4.2638 -4.0754 -4.0754 -2.9866 -2.9866 -2.6809 -2.6809 -2.6626 -2.6626 -2.5895 -2.5895 1.6221 1.6221 1.9176 1.9176 2.8382 2.8382 3.0408 3.0408 3.5555 3.5555 4.0183 4.0183 4.3152 4.3152 4.6272 4.6272 4.9906 4.9906 5.3474 5.3474 6.5791 6.5791 7.9123 7.9123 8.0491 8.0491 8.0756 8.0756 k =-0.0811 0.0917 0.2835 ( 17159 PWs) bands (ev): -15.4897 -15.4897 -15.4533 -15.4533 -5.1982 -5.1982 -4.7889 -4.7889 -4.2670 -4.2670 -4.0836 -4.0836 -2.9789 -2.9789 -2.6993 -2.6993 -2.6698 -2.6698 -2.6169 -2.6169 1.6486 1.6486 1.9099 1.9099 2.8118 2.8118 2.9952 2.9952 3.5368 3.5368 4.0282 4.0282 4.3071 4.3071 4.6292 4.6292 4.9673 4.9673 5.3315 5.3315 6.5268 6.5268 7.9639 7.9639 8.1239 8.1239 8.1252 8.1252 k =-0.0873 0.0987 0.3053 ( 17155 PWs) bands (ev): -15.4854 -15.4854 -15.4493 -15.4493 -5.1784 -5.1784 -4.7785 -4.7785 -4.2708 -4.2708 -4.0925 -4.0925 -2.9710 -2.9710 -2.7269 -2.7269 -2.6682 -2.6682 -2.6443 -2.6443 1.6758 1.6758 1.9022 1.9022 2.7671 2.7671 2.9661 2.9661 3.5189 3.5189 4.0355 4.0355 4.2952 4.2952 4.6283 4.6283 4.9489 4.9489 5.3142 5.3142 6.4845 6.4845 7.9981 7.9981 8.1882 8.1882 8.2033 8.2033 k =-0.0936 0.1058 0.3271 ( 17183 PWs) bands (ev): -15.4809 -15.4809 -15.4451 -15.4451 -5.1579 -5.1579 -4.7675 -4.7675 -4.2752 -4.2752 -4.1020 -4.1020 -2.9631 -2.9631 -2.7552 -2.7552 -2.6756 -2.6756 -2.6618 -2.6618 1.7031 1.7031 1.8944 1.8944 2.7079 2.7079 2.9509 2.9509 3.5022 3.5022 4.0402 4.0402 4.2780 4.2780 4.6249 4.6249 4.9357 4.9357 5.2958 5.2958 6.4530 6.4530 8.0215 8.0215 8.2563 8.2563 8.2863 8.2863 k =-0.0998 0.1128 0.3489 ( 17179 PWs) bands (ev): -15.4762 -15.4762 -15.4408 -15.4408 -5.1366 -5.1366 -4.7561 -4.7561 -4.2802 -4.2802 -4.1121 -4.1121 -2.9557 -2.9557 -2.7829 -2.7829 -2.7022 -2.7022 -2.6597 -2.6597 1.7298 1.7298 1.8862 1.8862 2.6420 2.6420 2.9433 2.9433 3.4871 3.4871 4.0417 4.0417 4.2547 4.2547 4.6194 4.6194 4.9281 4.9281 5.2763 5.2763 6.4323 6.4323 8.0396 8.0396 8.3202 8.3202 8.3736 8.3736 k =-0.1061 0.1199 0.3707 ( 17171 PWs) bands (ev): -15.4714 -15.4714 -15.4364 -15.4364 -5.1147 -5.1147 -4.7443 -4.7443 -4.2858 -4.2858 -4.1226 -4.1226 -2.9493 -2.9493 -2.8090 -2.8090 -2.7297 -2.7297 -2.6561 -2.6561 1.7551 1.7551 1.8769 1.8769 2.5757 2.5757 2.9391 2.9391 3.4739 3.4739 4.0385 4.0385 4.2265 4.2265 4.6121 4.6121 4.9260 4.9260 5.2560 5.2560 6.4222 6.4222 8.0546 8.0546 8.3763 8.3763 8.4633 8.4633 k =-0.1123 0.1269 0.3925 ( 17163 PWs) bands (ev): -15.4665 -15.4665 -15.4319 -15.4319 -5.0924 -5.0924 -4.7322 -4.7322 -4.2921 -4.2921 -4.1336 -4.1336 -2.9453 -2.9453 -2.8319 -2.8319 -2.7567 -2.7567 -2.6522 -2.6522 1.7775 1.7775 1.8659 1.8659 2.5139 2.5139 2.9362 2.9362 3.4628 3.4628 4.0275 4.0275 4.1969 4.1969 4.6027 4.6027 4.9291 4.9291 5.2352 5.2352 6.4221 6.4221 8.0675 8.0675 8.4218 8.4218 8.5533 8.5533 k =-0.1185 0.1340 0.4143 ( 17161 PWs) bands (ev): -15.4615 -15.4615 -15.4273 -15.4273 -5.0700 -5.0700 -4.7199 -4.7199 -4.2991 -4.2991 -4.1448 -4.1448 -2.9456 -2.9456 -2.8495 -2.8495 -2.7829 -2.7829 -2.6482 -2.6482 1.7939 1.7939 1.8536 1.8536 2.4608 2.4608 2.9335 2.9335 3.4539 3.4539 4.0039 4.0039 4.1718 4.1718 4.5909 4.5909 4.9367 4.9367 5.2142 5.2142 6.4312 6.4312 8.0783 8.0783 8.4542 8.4542 8.6419 8.6419 k =-0.1248 0.1410 0.4361 ( 17149 PWs) bands (ev): -15.4565 -15.4565 -15.4227 -15.4227 -5.0475 -5.0475 -4.7073 -4.7073 -4.3067 -4.3067 -4.1562 -4.1562 -2.9527 -2.9527 -2.8593 -2.8593 -2.8080 -2.8080 -2.6442 -2.6442 1.7946 1.7946 1.8471 1.8471 2.4203 2.4203 2.9305 2.9305 3.4471 3.4471 3.9648 3.9648 4.1556 4.1556 4.5766 4.5766 4.9478 4.9478 5.1938 5.1938 6.4483 6.4483 8.0868 8.0868 8.4709 8.4709 8.7225 8.7225 k =-0.1310 0.1481 0.4579 ( 17139 PWs) bands (ev): -15.4514 -15.4514 -15.4181 -15.4181 -5.0253 -5.0253 -4.6947 -4.6947 -4.3150 -4.3150 -4.1675 -4.1675 -2.9664 -2.9664 -2.8617 -2.8617 -2.8314 -2.8314 -2.6401 -2.6401 1.7701 1.7701 1.8539 1.8539 2.3953 2.3953 2.9267 2.9267 3.4423 3.4423 3.9123 3.9123 4.1480 4.1480 4.5594 4.5594 4.9606 4.9606 5.1749 5.1749 6.4722 6.4722 8.0918 8.0918 8.4700 8.4700 8.7397 8.7397 k =-0.1373 0.1551 0.4797 ( 17149 PWs) bands (ev): -15.4464 -15.4464 -15.4135 -15.4135 -5.0035 -5.0035 -4.6821 -4.6821 -4.3239 -4.3239 -4.1787 -4.1787 -2.9842 -2.9842 -2.8641 -2.8641 -2.8482 -2.8482 -2.6360 -2.6360 1.7285 1.7285 1.8659 1.8659 2.3864 2.3864 2.9220 2.9220 3.4391 3.4391 3.8512 3.8512 4.1459 4.1459 4.5395 4.5395 4.9725 4.9725 5.1595 5.1595 6.5018 6.5018 8.0917 8.0917 8.4502 8.4502 8.6743 8.6743 k =-0.1435 0.1622 0.5015 ( 17157 PWs) bands (ev): -15.4414 -15.4414 -15.4089 -15.4089 -4.9824 -4.9824 -4.6696 -4.6696 -4.3333 -4.3333 -4.1895 -4.1895 -3.0034 -3.0034 -2.8806 -2.8806 -2.8466 -2.8466 -2.6319 -2.6319 1.6761 1.6761 1.8789 1.8789 2.3920 2.3920 2.9164 2.9164 3.4365 3.4365 3.7858 3.7858 4.1471 4.1471 4.5169 4.5169 4.9800 4.9800 5.1503 5.1503 6.5359 6.5359 8.0834 8.0834 8.4138 8.4138 8.6072 8.6072 k =-0.1497 0.1692 0.5233 ( 17181 PWs) bands (ev): -15.4364 -15.4364 -15.4045 -15.4045 -4.9622 -4.9622 -4.6573 -4.6573 -4.3432 -4.3432 -4.1998 -4.1998 -3.0227 -3.0227 -2.9002 -2.9002 -2.8388 -2.8388 -2.6278 -2.6278 1.6166 1.6166 1.8925 1.8925 2.4094 2.4094 2.9100 2.9100 3.4330 3.4330 3.7200 3.7200 4.1502 4.1502 4.4918 4.4918 4.9793 4.9793 5.1506 5.1506 6.5735 6.5735 8.0624 8.0624 8.3687 8.3687 8.5485 8.5485 k =-0.1560 0.1763 0.5451 ( 17175 PWs) bands (ev): -15.4316 -15.4316 -15.4001 -15.4001 -4.9432 -4.9432 -4.6452 -4.6452 -4.3534 -4.3534 -4.2092 -4.2092 -3.0412 -3.0412 -2.9190 -2.9190 -2.8296 -2.8296 -2.6238 -2.6238 1.5529 1.5529 1.9069 1.9069 2.4355 2.4355 2.9028 2.9028 3.4254 3.4254 3.6586 3.6586 4.1547 4.1547 4.4643 4.4643 4.9689 4.9689 5.1611 5.1611 6.6134 6.6134 8.0247 8.0247 8.3248 8.3248 8.4970 8.4970 k =-0.1622 0.1833 0.5669 ( 17177 PWs) bands (ev): -15.4269 -15.4269 -15.3959 -15.3959 -4.9255 -4.9255 -4.6336 -4.6336 -4.3639 -4.3639 -4.2178 -4.2178 -3.0585 -3.0585 -2.9365 -2.9365 -2.8198 -2.8198 -2.6200 -2.6200 1.4875 1.4875 1.9224 1.9224 2.4678 2.4678 2.8949 2.8949 3.4079 3.4079 3.6085 3.6085 4.1600 4.1600 4.4348 4.4348 4.9504 4.9504 5.1796 5.1796 6.6548 6.6548 7.9700 7.9700 8.2853 8.2853 8.4533 8.4533 k =-0.1685 0.1904 0.5887 ( 17167 PWs) bands (ev): -15.4224 -15.4224 -15.3919 -15.3919 -4.9093 -4.9093 -4.6225 -4.6225 -4.3745 -4.3745 -4.2251 -4.2251 -3.0745 -3.0745 -2.9527 -2.9527 -2.8096 -2.8096 -2.6162 -2.6162 1.4221 1.4221 1.9394 1.9394 2.5042 2.5042 2.8865 2.8865 3.3743 3.3743 3.5767 3.5767 4.1661 4.1661 4.4034 4.4034 4.9264 4.9264 5.2031 5.2031 6.6967 6.6967 7.9030 7.9030 8.2445 8.2445 8.4213 8.4213 k =-0.1747 0.1974 0.6105 ( 17175 PWs) bands (ev): -15.4180 -15.4180 -15.3880 -15.3880 -4.8948 -4.8948 -4.6120 -4.6120 -4.3851 -4.3851 -4.2313 -4.2313 -3.0890 -3.0890 -2.9674 -2.9674 -2.7994 -2.7994 -2.6126 -2.6126 1.3584 1.3584 1.9580 1.9580 2.5428 2.5428 2.8778 2.8778 3.3252 3.3252 3.5632 3.5632 4.1726 4.1726 4.3707 4.3707 4.8987 4.8987 5.2294 5.2294 6.7383 6.7383 7.8298 7.8298 8.1964 8.1964 8.4040 8.4040 k =-0.1809 0.2045 0.6324 ( 17185 PWs) bands (ev): -15.4139 -15.4139 -15.3844 -15.3844 -4.8821 -4.8821 -4.6023 -4.6023 -4.3956 -4.3956 -4.2361 -4.2361 -3.1020 -3.1020 -2.9807 -2.9807 -2.7892 -2.7892 -2.6091 -2.6091 1.2972 1.2972 1.9783 1.9783 2.5821 2.5821 2.8687 2.8687 3.2678 3.2678 3.5618 3.5618 4.1795 4.1795 4.3370 4.3370 4.8684 4.8684 5.2569 5.2569 6.7789 6.7789 7.7549 7.7549 8.1405 8.1405 8.3995 8.3995 k =-0.1872 0.2115 0.6542 ( 17181 PWs) bands (ev): -15.4100 -15.4100 -15.3810 -15.3810 -4.8713 -4.8713 -4.5934 -4.5934 -4.4058 -4.4058 -4.2396 -4.2396 -3.1134 -3.1134 -2.9925 -2.9925 -2.7790 -2.7790 -2.6058 -2.6058 1.2396 1.2396 2.0004 2.0004 2.6203 2.6203 2.8595 2.8595 3.2088 3.2088 3.5666 3.5666 4.1863 4.1863 4.3033 4.3033 4.8362 4.8362 5.2845 5.2845 6.8178 6.8178 7.6812 7.6812 8.0796 8.0796 8.4043 8.4043 k =-0.1934 0.2186 0.6760 ( 17161 PWs) bands (ev): -15.4063 -15.4063 -15.3779 -15.3779 -4.8624 -4.8624 -4.5856 -4.5856 -4.4154 -4.4154 -4.2418 -4.2418 -3.1233 -3.1233 -3.0030 -3.0030 -2.7691 -2.7691 -2.6027 -2.6027 1.1861 1.1861 2.0242 2.0242 2.6555 2.6555 2.8500 2.8500 3.1527 3.1527 3.5746 3.5746 4.1915 4.1915 4.2715 4.2715 4.8025 4.8025 5.3115 5.3115 6.8543 6.8543 7.6107 7.6107 8.0168 8.0168 8.4152 8.4152 k =-0.1996 0.2256 0.6978 ( 17163 PWs) bands (ev): -15.4030 -15.4030 -15.3751 -15.3751 -4.8552 -4.8552 -4.5789 -4.5789 -4.4245 -4.4245 -4.2428 -4.2428 -3.1317 -3.1317 -3.0122 -3.0122 -2.7593 -2.7593 -2.5998 -2.5998 1.1373 1.1373 2.0494 2.0494 2.6850 2.6850 2.8403 2.8403 3.1035 3.1035 3.5838 3.5838 4.1902 4.1902 4.2475 4.2475 4.7676 4.7676 5.3372 5.3372 6.8878 6.8878 7.5446 7.5446 7.9542 7.9542 8.4308 8.4308 k =-0.2059 0.2327 0.7196 ( 17157 PWs) bands (ev): -15.4000 -15.4000 -15.3726 -15.3726 -4.8497 -4.8497 -4.5734 -4.5734 -4.4328 -4.4328 -4.2428 -4.2428 -3.1387 -3.1387 -3.0200 -3.0200 -2.7498 -2.7498 -2.5972 -2.5972 1.0937 1.0937 2.0757 2.0757 2.7054 2.7054 2.8302 2.8302 3.0651 3.0651 3.5929 3.5929 4.1735 4.1735 4.2409 4.2409 4.7318 4.7318 5.3609 5.3609 6.9179 6.9179 7.4835 7.4835 7.8934 7.8934 8.4501 8.4501 k =-0.2121 0.2397 0.7414 ( 17125 PWs) bands (ev): -15.3972 -15.3972 -15.3704 -15.3704 -4.8459 -4.8459 -4.5691 -4.5691 -4.4401 -4.4401 -4.2419 -4.2419 -3.1442 -3.1442 -3.0265 -3.0265 -2.7406 -2.7406 -2.5948 -2.5948 1.0557 1.0557 2.1026 2.1026 2.7130 2.7130 2.8203 2.8203 3.0412 3.0412 3.6011 3.6011 4.1469 4.1469 4.2472 4.2472 4.6953 4.6953 5.3822 5.3822 6.9441 6.9441 7.4281 7.4281 7.8356 7.8356 8.4726 8.4726 k =-0.2184 0.2468 0.7632 ( 17133 PWs) bands (ev): -15.3949 -15.3949 -15.3685 -15.3685 -4.8435 -4.8435 -4.5663 -4.5663 -4.4463 -4.4463 -4.2405 -4.2405 -3.1483 -3.1483 -3.0317 -3.0317 -2.7317 -2.7317 -2.5926 -2.5926 1.0236 1.0236 2.1294 2.1294 2.7063 2.7063 2.8116 2.8116 3.0324 3.0324 3.6075 3.6075 4.1194 4.1194 4.2588 4.2588 4.6585 4.6585 5.4005 5.4005 6.9659 6.9659 7.3787 7.3787 7.7821 7.7821 8.4981 8.4981 k =-0.2246 0.2538 0.7850 ( 17151 PWs) bands (ev): -15.3929 -15.3929 -15.3670 -15.3670 -4.8424 -4.8424 -4.5649 -4.5649 -4.4512 -4.4512 -4.2387 -4.2387 -3.1512 -3.1512 -3.0358 -3.0358 -2.7231 -2.7231 -2.5907 -2.5907 0.9976 0.9976 2.1547 2.1547 2.6890 2.6890 2.8045 2.8045 3.0351 3.0351 3.6115 3.6115 4.0945 4.0945 4.2732 4.2732 4.6217 4.6217 5.4153 5.4153 6.9831 6.9831 7.3354 7.3354 7.7337 7.7337 8.5266 8.5266 k =-0.2308 0.2609 0.8068 ( 17169 PWs) bands (ev): -15.3912 -15.3912 -15.3659 -15.3659 -4.8425 -4.8425 -4.5651 -4.5651 -4.4547 -4.4547 -4.2367 -4.2367 -3.1527 -3.1527 -3.0386 -3.0386 -2.7149 -2.7149 -2.5891 -2.5891 0.9780 0.9780 2.1769 2.1769 2.6680 2.6680 2.7983 2.7983 3.0439 3.0439 3.6126 3.6126 4.0742 4.0742 4.2898 4.2898 4.5851 4.5851 5.4261 5.4261 6.9952 6.9952 7.2985 7.2985 7.6912 7.6912 8.5579 8.5579 k =-0.2371 0.2679 0.8286 ( 17157 PWs) bands (ev): -15.3900 -15.3900 -15.3652 -15.3652 -4.8437 -4.8437 -4.5668 -4.5668 -4.4566 -4.4566 -4.2346 -4.2346 -3.1530 -3.1530 -3.0403 -3.0403 -2.7070 -2.7070 -2.5878 -2.5878 0.9650 0.9650 2.1937 2.1937 2.6500 2.6500 2.7925 2.7925 3.0536 3.0536 3.6111 3.6111 4.0593 4.0593 4.3083 4.3083 4.5491 4.5491 5.4326 5.4326 7.0021 7.0021 7.2680 7.2680 7.6555 7.6555 8.5921 8.5921 k =-0.2433 0.2750 0.8504 ( 17167 PWs) bands (ev): -15.3891 -15.3891 -15.3648 -15.3648 -4.8460 -4.8460 -4.5701 -4.5701 -4.4569 -4.4569 -4.2326 -4.2326 -3.1521 -3.1521 -3.0408 -3.0408 -2.6996 -2.6996 -2.5868 -2.5868 0.9585 0.9585 2.2029 2.2029 2.6397 2.6397 2.7871 2.7871 3.0608 3.0608 3.6075 3.6075 4.0504 4.0504 4.3285 4.3285 4.5144 4.5144 5.4343 5.4343 7.0034 7.0034 7.2439 7.2439 7.6272 7.6272 8.6291 8.6291 k =-0.2496 0.2820 0.8722 ( 17171 PWs) bands (ev): -15.3886 -15.3886 -15.3648 -15.3648 -4.8492 -4.8492 -4.5750 -4.5750 -4.4556 -4.4556 -4.2307 -4.2307 -3.1500 -3.1500 -3.0402 -3.0402 -2.6926 -2.6926 -2.5860 -2.5860 0.9587 0.9587 2.2026 2.2026 2.6399 2.6399 2.7822 2.7822 3.0632 3.0632 3.6026 3.6026 4.0472 4.0472 4.3498 4.3498 4.4817 4.4817 5.4311 5.4311 6.9990 6.9990 7.2261 7.2261 7.6067 7.6067 8.6684 8.6684 k =-0.2558 0.2891 0.8940 ( 17163 PWs) bands (ev): -15.3886 -15.3886 -15.3652 -15.3652 -4.8534 -4.8534 -4.5814 -4.5814 -4.4526 -4.4526 -4.2288 -4.2288 -3.1468 -3.1468 -3.0386 -3.0386 -2.6860 -2.6860 -2.5856 -2.5856 0.9656 0.9656 2.1930 2.1930 2.6501 2.6501 2.7783 2.7783 3.0602 3.0602 3.5975 3.5975 4.0493 4.0493 4.3702 4.3702 4.4534 4.4534 5.4229 5.4229 6.9888 6.9888 7.2146 7.2146 7.5943 7.5943 8.7055 8.7055 k =-0.2620 0.2962 0.9158 ( 17153 PWs) bands (ev): -15.3889 -15.3889 -15.3660 -15.3660 -4.8586 -4.8586 -4.5893 -4.5893 -4.4481 -4.4481 -4.2269 -4.2269 -3.1425 -3.1425 -3.0359 -3.0359 -2.6799 -2.6799 -2.5854 -2.5854 0.9791 0.9791 2.1757 2.1757 2.6665 2.6665 2.7765 2.7765 3.0527 3.0527 3.5929 3.5929 4.0560 4.0560 4.3802 4.3802 4.4391 4.4391 5.4096 5.4096 6.9728 6.9728 7.2092 7.2092 7.5903 7.5903 8.6874 8.6874 k =-0.2683 0.3032 0.9376 ( 17135 PWs) bands (ev): -15.3896 -15.3896 -15.3671 -15.3671 -4.8650 -4.8650 -4.5984 -4.5984 -4.4419 -4.4419 -4.2249 -4.2249 -3.1370 -3.1370 -3.0322 -3.0322 -2.6744 -2.6744 -2.5855 -2.5855 0.9992 0.9992 2.1531 2.1531 2.6818 2.6818 2.7800 2.7800 3.0433 3.0433 3.5887 3.5887 4.0663 4.0663 4.3673 4.3673 4.4515 4.4515 5.3916 5.3916 6.9510 6.9510 7.2099 7.2099 7.5945 7.5945 8.6492 8.6492 k =-0.2745 0.3103 0.9594 ( 17153 PWs) bands (ev): -15.3907 -15.3907 -15.3687 -15.3687 -4.8726 -4.8726 -4.6088 -4.6088 -4.4343 -4.4343 -4.2226 -4.2226 -3.1304 -3.1304 -3.0275 -3.0275 -2.6694 -2.6694 -2.5859 -2.5859 1.0257 1.0257 2.1273 2.1273 2.6868 2.6868 2.7918 2.7918 3.0367 3.0367 3.5848 3.5848 4.0796 4.0796 4.3444 4.3444 4.4777 4.4777 5.3690 5.3690 6.9236 6.9236 7.2165 7.2165 7.6068 7.6068 8.6153 8.6153 k =-0.2808 0.3173 0.9812 ( 17149 PWs) bands (ev): -15.3921 -15.3921 -15.3706 -15.3706 -4.8815 -4.8815 -4.6204 -4.6204 -4.4251 -4.4251 -4.2198 -4.2198 -3.1227 -3.1227 -3.0217 -3.0217 -2.6649 -2.6649 -2.5866 -2.5866 1.0584 1.0584 2.1001 2.1001 2.6781 2.6781 2.8084 2.8084 3.0394 3.0394 3.5806 3.5806 4.0952 4.0952 4.3207 4.3207 4.5086 4.5086 5.3423 5.3423 6.8909 6.8909 7.2289 7.2289 7.6269 7.6269 8.5872 8.5872 k =-0.2808 0.3173 0.9812 ( 17149 PWs) bands (ev): -15.3921 -15.3921 -15.3706 -15.3706 -4.8815 -4.8815 -4.6204 -4.6204 -4.4251 -4.4251 -4.2198 -4.2198 -3.1227 -3.1227 -3.0217 -3.0217 -2.6649 -2.6649 -2.5866 -2.5866 1.0584 1.0584 2.1001 2.1001 2.6781 2.6781 2.8084 2.8084 3.0394 3.0394 3.5806 3.5806 4.0952 4.0952 4.3207 4.3207 4.5086 4.5086 5.3423 5.3423 6.8909 6.8909 7.2289 7.2289 7.6269 7.6269 8.5872 8.5872 k =-0.2666 0.3013 0.9905 ( 17149 PWs) bands (ev): -15.3921 -15.3921 -15.3706 -15.3706 -4.8811 -4.8811 -4.6210 -4.6210 -4.4247 -4.4247 -4.2198 -4.2198 -3.1226 -3.1226 -3.0218 -3.0218 -2.6650 -2.6650 -2.5866 -2.5866 1.0585 1.0585 2.0997 2.0997 2.6783 2.6783 2.8081 2.8081 3.0398 3.0398 3.5805 3.5805 4.0951 4.0951 4.3212 4.3212 4.5094 4.5094 5.3414 5.3414 6.8846 6.8846 7.2313 7.2313 7.6283 7.6283 8.5898 8.5898 k =-0.2524 0.2853 0.9997 ( 17154 PWs) bands (ev): -15.3922 -15.3922 -15.3706 -15.3706 -4.8801 -4.8801 -4.6230 -4.6230 -4.4236 -4.4236 -4.2199 -4.2199 -3.1224 -3.1224 -3.0222 -3.0222 -2.6654 -2.6654 -2.5867 -2.5867 1.0588 1.0588 2.0988 2.0988 2.6792 2.6792 2.8074 2.8074 3.0410 3.0410 3.5802 3.5802 4.0949 4.0949 4.3228 4.3228 4.5118 4.5118 5.3385 5.3385 6.8667 6.8667 7.2379 7.2379 7.6325 7.6325 8.5978 8.5978 k =-0.2382 0.2693 1.0089 ( 17160 PWs) bands (ev): -15.3922 -15.3922 -15.3705 -15.3705 -4.8783 -4.8783 -4.6261 -4.6261 -4.4218 -4.4218 -4.2200 -4.2200 -3.1219 -3.1219 -3.0228 -3.0228 -2.6661 -2.6661 -2.5868 -2.5868 1.0593 1.0593 2.0973 2.0973 2.6806 2.6806 2.8062 2.8062 3.0431 3.0431 3.5796 3.5796 4.0945 4.0945 4.3251 4.3251 4.5160 4.5160 5.3338 5.3338 6.8393 6.8393 7.2474 7.2474 7.6393 7.6393 8.6107 8.6107 k =-0.2241 0.2532 1.0182 ( 17153 PWs) bands (ev): -15.3922 -15.3922 -15.3705 -15.3705 -4.8758 -4.8758 -4.6302 -4.6302 -4.4194 -4.4194 -4.2201 -4.2201 -3.1214 -3.1214 -3.0237 -3.0237 -2.6670 -2.6670 -2.5869 -2.5869 1.0601 1.0601 2.0952 2.0952 2.6823 2.6823 2.8046 2.8046 3.0459 3.0459 3.5789 3.5789 4.0940 4.0940 4.3282 4.3282 4.5220 4.5220 5.3273 5.3273 6.8049 6.8049 7.2585 7.2585 7.6488 7.6488 8.6282 8.6282 k =-0.2099 0.2372 1.0274 ( 17164 PWs) bands (ev): -15.3923 -15.3923 -15.3705 -15.3705 -4.8726 -4.8726 -4.6354 -4.6354 -4.4166 -4.4166 -4.2203 -4.2203 -3.1207 -3.1207 -3.0247 -3.0247 -2.6681 -2.6681 -2.5871 -2.5871 1.0609 1.0609 2.0928 2.0928 2.6843 2.6843 2.8025 2.8025 3.0495 3.0495 3.5780 3.5780 4.0934 4.0934 4.3316 4.3316 4.5298 4.5298 5.3192 5.3192 6.7658 6.7658 7.2703 7.2703 7.6606 7.6606 8.6495 8.6495 k =-0.1957 0.2212 1.0366 ( 17173 PWs) bands (ev): -15.3923 -15.3923 -15.3704 -15.3704 -4.8688 -4.8688 -4.6412 -4.6412 -4.4134 -4.4134 -4.2206 -4.2206 -3.1199 -3.1199 -3.0260 -3.0260 -2.6695 -2.6695 -2.5873 -2.5873 1.0619 1.0619 2.0901 2.0901 2.6865 2.6865 2.8001 2.8001 3.0539 3.0539 3.5771 3.5771 4.0929 4.0929 4.3352 4.3352 4.5394 4.5394 5.3097 5.3097 6.7241 6.7241 7.2827 7.2827 7.6747 7.6747 8.6736 8.6736 k =-0.1957 0.2212 1.0366 ( 17173 PWs) bands (ev): -15.3923 -15.3923 -15.3704 -15.3704 -4.8688 -4.8688 -4.6412 -4.6412 -4.4134 -4.4134 -4.2206 -4.2206 -3.1199 -3.1199 -3.0260 -3.0260 -2.6695 -2.6695 -2.5873 -2.5873 1.0619 1.0619 2.0901 2.0901 2.6865 2.6865 2.8001 2.8001 3.0539 3.0539 3.5771 3.5771 4.0929 4.0929 4.3352 4.3352 4.5394 4.5394 5.3097 5.3097 6.7241 6.7241 7.2827 7.2827 7.6747 7.6747 8.6736 8.6736 k =-0.1807 0.2042 1.0366 ( 17161 PWs) bands (ev): -15.3917 -15.3917 -15.3696 -15.3696 -4.8619 -4.8619 -4.6429 -4.6429 -4.4132 -4.4132 -4.2221 -4.2221 -3.1220 -3.1220 -3.0295 -3.0295 -2.6720 -2.6720 -2.5872 -2.5872 1.0502 1.0502 2.0980 2.0980 2.6903 2.6903 2.7910 2.7910 3.0590 3.0590 3.5776 3.5776 4.0848 4.0848 4.3486 4.3486 4.5369 4.5369 5.3085 5.3085 6.6957 6.6957 7.2898 7.2898 7.6814 7.6814 8.7040 8.7040 k =-0.1656 0.1872 1.0366 ( 17159 PWs) bands (ev): -15.3912 -15.3912 -15.3689 -15.3689 -4.8551 -4.8551 -4.6452 -4.6452 -4.4125 -4.4125 -4.2236 -4.2236 -3.1238 -3.1238 -3.0330 -3.0330 -2.6745 -2.6745 -2.5872 -2.5872 1.0396 1.0396 2.1058 2.1058 2.6906 2.6906 2.7824 2.7824 3.0676 3.0676 3.5779 3.5779 4.0764 4.0764 4.3622 4.3622 4.5360 4.5360 5.3052 5.3052 6.6660 6.6660 7.2984 7.2984 7.6908 7.6908 8.7330 8.7330 k =-0.1506 0.1702 1.0366 ( 17155 PWs) bands (ev): -15.3908 -15.3908 -15.3682 -15.3682 -4.8484 -4.8484 -4.6479 -4.6479 -4.4112 -4.4112 -4.2252 -4.2252 -3.1253 -3.1253 -3.0365 -3.0365 -2.6770 -2.6770 -2.5873 -2.5873 1.0301 1.0301 2.1134 2.1134 2.6868 2.6868 2.7752 2.7752 3.0790 3.0790 3.5779 3.5779 4.0680 4.0680 4.3755 4.3755 4.5370 4.5370 5.2997 5.2997 6.6362 6.6362 7.3087 7.3087 7.7024 7.7024 8.7584 8.7584 k =-0.1355 0.1531 1.0366 ( 17154 PWs) bands (ev): -15.3903 -15.3903 -15.3676 -15.3676 -4.8420 -4.8420 -4.6510 -4.6510 -4.4096 -4.4096 -4.2267 -4.2267 -3.1266 -3.1266 -3.0398 -3.0398 -2.6793 -2.6793 -2.5874 -2.5874 1.0217 1.0217 2.1209 2.1209 2.6792 2.6792 2.7699 2.7699 3.0924 3.0924 3.5777 3.5777 4.0595 4.0595 4.3880 4.3880 4.5398 4.5398 5.2924 5.2924 6.6069 6.6069 7.3207 7.3207 7.7158 7.7158 8.7778 8.7778 k =-0.1204 0.1361 1.0366 ( 17152 PWs) bands (ev): -15.3900 -15.3900 -15.3670 -15.3670 -4.8359 -4.8359 -4.6543 -4.6543 -4.4077 -4.4077 -4.2282 -4.2282 -3.1276 -3.1276 -3.0430 -3.0430 -2.6816 -2.6816 -2.5876 -2.5876 1.0144 1.0144 2.1283 2.1283 2.6687 2.6687 2.7663 2.7663 3.1069 3.1069 3.5774 3.5774 4.0512 4.0512 4.3992 4.3992 4.5446 4.5446 5.2837 5.2837 6.5789 6.5789 7.3345 7.3345 7.7305 7.7305 8.7887 8.7887 k =-0.1054 0.1191 1.0366 ( 17151 PWs) bands (ev): -15.3897 -15.3897 -15.3665 -15.3665 -4.8301 -4.8301 -4.6576 -4.6576 -4.4057 -4.4057 -4.2298 -4.2298 -3.1284 -3.1284 -3.0460 -3.0460 -2.6836 -2.6836 -2.5877 -2.5877 1.0081 1.0081 2.1354 2.1354 2.6565 2.6565 2.7641 2.7641 3.1218 3.1218 3.5769 3.5769 4.0432 4.0432 4.4087 4.4087 4.5513 4.5513 5.2740 5.2740 6.5529 6.5529 7.3496 7.3496 7.7458 7.7458 8.7894 8.7894 k =-0.0903 0.1021 1.0366 ( 17152 PWs) bands (ev): -15.3894 -15.3894 -15.3661 -15.3661 -4.8249 -4.8249 -4.6608 -4.6608 -4.4036 -4.4036 -4.2312 -4.2312 -3.1290 -3.1290 -3.0487 -3.0487 -2.6854 -2.6854 -2.5879 -2.5879 1.0028 1.0028 2.1421 2.1421 2.6437 2.6437 2.7627 2.7627 3.1363 3.1363 3.5763 3.5763 4.0356 4.0356 4.4164 4.4164 4.5594 4.5594 5.2637 5.2637 6.5293 6.5293 7.3657 7.3657 7.7609 7.7609 8.7795 8.7795 k =-0.0753 0.0851 1.0366 ( 17147 PWs) bands (ev): -15.3891 -15.3891 -15.3657 -15.3657 -4.8203 -4.8203 -4.6637 -4.6637 -4.4016 -4.4016 -4.2326 -4.2326 -3.1294 -3.1294 -3.0511 -3.0511 -2.6870 -2.6870 -2.5881 -2.5881 0.9984 0.9984 2.1483 2.1483 2.6313 2.6313 2.7617 2.7617 3.1499 3.1499 3.5757 3.5757 4.0288 4.0288 4.4222 4.4222 4.5684 4.5684 5.2535 5.2535 6.5087 6.5087 7.3819 7.3819 7.7753 7.7753 8.7610 8.7610 k =-0.0602 0.0681 1.0366 ( 17142 PWs) bands (ev): -15.3890 -15.3890 -15.3654 -15.3654 -4.8164 -4.8164 -4.6664 -4.6664 -4.3999 -4.3999 -4.2337 -4.2337 -3.1297 -3.1297 -3.0532 -3.0532 -2.6884 -2.6884 -2.5883 -2.5883 0.9948 0.9948 2.1538 2.1538 2.6201 2.6201 2.7611 2.7611 3.1619 3.1619 3.5752 3.5752 4.0228 4.0228 4.4265 4.4265 4.5773 4.5773 5.2440 5.2440 6.4913 6.4913 7.3975 7.3975 7.7882 7.7882 8.7376 8.7376 k =-0.0452 0.0510 1.0366 ( 17135 PWs) bands (ev): -15.3888 -15.3888 -15.3651 -15.3651 -4.8132 -4.8132 -4.6686 -4.6686 -4.3984 -4.3984 -4.2347 -4.2347 -3.1299 -3.1299 -3.0549 -3.0549 -2.6894 -2.6894 -2.5884 -2.5884 0.9921 0.9921 2.1584 2.1584 2.6107 2.6107 2.7606 2.7606 3.1718 3.1718 3.5746 3.5746 4.0180 4.0180 4.4295 4.4295 4.5855 4.5855 5.2357 5.2357 6.4775 6.4775 7.4112 7.4112 7.7990 7.7990 8.7138 8.7138 k =-0.0301 0.0340 1.0366 ( 17129 PWs) bands (ev): -15.3887 -15.3887 -15.3650 -15.3650 -4.8109 -4.8109 -4.6702 -4.6702 -4.3972 -4.3972 -4.2355 -4.2355 -3.1300 -3.1300 -3.0561 -3.0561 -2.6902 -2.6902 -2.5885 -2.5885 0.9902 0.9902 2.1618 2.1618 2.6036 2.6036 2.7603 2.7603 3.1792 3.1792 3.5742 3.5742 4.0143 4.0143 4.4315 4.4315 4.5920 4.5920 5.2293 5.2293 6.4675 6.4675 7.4220 7.4220 7.8071 7.8071 8.6937 8.6937 k =-0.0151 0.0170 1.0366 ( 17134 PWs) bands (ev): -15.3886 -15.3886 -15.3649 -15.3649 -4.8095 -4.8095 -4.6712 -4.6712 -4.3965 -4.3965 -4.2359 -4.2359 -3.1301 -3.1301 -3.0569 -3.0569 -2.6907 -2.6907 -2.5886 -2.5886 0.9891 0.9891 2.1640 2.1640 2.5992 2.5992 2.7601 2.7601 3.1838 3.1838 3.5739 3.5739 4.0121 4.0121 4.4326 4.4326 4.5961 4.5961 5.2253 5.2253 6.4614 6.4614 7.4290 7.4290 7.8121 7.8121 8.6804 8.6804 k = 0.0000 0.0000 1.0366 ( 17144 PWs) bands (ev): -15.3886 -15.3886 -15.3648 -15.3648 -4.8090 -4.8090 -4.6715 -4.6715 -4.3963 -4.3963 -4.2361 -4.2361 -3.1301 -3.1301 -3.0572 -3.0572 -2.6908 -2.6908 -2.5886 -2.5886 0.9887 0.9887 2.1647 2.1647 2.5977 2.5977 2.7601 2.7601 3.1853 3.1853 3.5738 3.5738 4.0114 4.0114 4.4329 4.4329 4.5976 4.5976 5.2239 5.2239 6.4593 6.4593 7.4314 7.4314 7.8138 7.8138 8.6758 8.6758 k = 0.0000 0.0000 1.0366 ( 17144 PWs) bands (ev): -15.3886 -15.3886 -15.3648 -15.3648 -4.8090 -4.8090 -4.6715 -4.6715 -4.3963 -4.3963 -4.2361 -4.2361 -3.1301 -3.1301 -3.0572 -3.0572 -2.6908 -2.6908 -2.5886 -2.5886 0.9887 0.9887 2.1647 2.1647 2.5977 2.5977 2.7601 2.7601 3.1853 3.1853 3.5738 3.5738 4.0114 4.0114 4.4329 4.4329 4.5976 4.5976 5.2239 5.2239 6.4593 6.4593 7.4314 7.4314 7.8138 7.8138 8.6758 8.6758 k = 0.0179 0.0158 1.0366 ( 17142 PWs) bands (ev): -15.3886 -15.3886 -15.3648 -15.3648 -4.8091 -4.8091 -4.6710 -4.6710 -4.3970 -4.3970 -4.2357 -4.2357 -3.1307 -3.1307 -3.0568 -3.0568 -2.6911 -2.6911 -2.5880 -2.5880 0.9887 0.9887 2.1648 2.1648 2.5966 2.5966 2.7610 2.7610 3.1854 3.1854 3.5738 3.5738 4.0114 4.0114 4.4327 4.4327 4.5979 4.5979 5.2240 5.2240 6.4584 6.4584 7.4295 7.4295 7.8173 7.8173 8.6655 8.6655 k = 0.0357 0.0316 1.0366 ( 17146 PWs) bands (ev): -15.3886 -15.3886 -15.3648 -15.3648 -4.8094 -4.8094 -4.6695 -4.6695 -4.3993 -4.3993 -4.2345 -4.2345 -3.1324 -3.1324 -3.0559 -3.0559 -2.6918 -2.6918 -2.5863 -2.5863 0.9887 0.9887 2.1648 2.1648 2.5933 2.5933 2.7637 2.7637 3.1858 3.1858 3.5737 3.5737 4.0117 4.0117 4.4320 4.4320 4.5989 4.5989 5.2242 5.2242 6.4558 6.4558 7.4241 7.4241 7.8274 7.8274 8.6392 8.6392 k = 0.0536 0.0474 1.0366 ( 17160 PWs) bands (ev): -15.3886 -15.3886 -15.3648 -15.3648 -4.8100 -4.8100 -4.6671 -4.6671 -4.4030 -4.4030 -4.2327 -4.2327 -3.1351 -3.1351 -3.0546 -3.0546 -2.6928 -2.6928 -2.5836 -2.5836 0.9886 0.9886 2.1649 2.1649 2.5881 2.5881 2.7678 2.7678 3.1864 3.1864 3.5735 3.5735 4.0120 4.0120 4.4309 4.4309 4.6004 4.6004 5.2246 5.2246 6.4516 6.4516 7.4162 7.4162 7.8429 7.8429 8.6043 8.6043 k = 0.0714 0.0632 1.0366 ( 17158 PWs) bands (ev): -15.3886 -15.3886 -15.3648 -15.3648 -4.8107 -4.8107 -4.6639 -4.6639 -4.4078 -4.4078 -4.2303 -4.2303 -3.1385 -3.1385 -3.0530 -3.0530 -2.6941 -2.6941 -2.5802 -2.5802 0.9885 0.9885 2.1651 2.1651 2.5817 2.5817 2.7729 2.7729 3.1872 3.1872 3.5733 3.5733 4.0125 4.0125 4.4295 4.4295 4.6025 4.6025 5.2251 5.2251 6.4459 6.4459 7.4068 7.4068 7.8622 7.8622 8.5664 8.5664 k = 0.0893 0.0790 1.0366 ( 17168 PWs) bands (ev): -15.3886 -15.3886 -15.3648 -15.3648 -4.8114 -4.8114 -4.6599 -4.6599 -4.4136 -4.4136 -4.2276 -4.2276 -3.1424 -3.1424 -3.0512 -3.0512 -2.6956 -2.6956 -2.5762 -2.5762 0.9884 0.9884 2.1652 2.1652 2.5744 2.5744 2.7785 2.7785 3.1881 3.1881 3.5730 3.5730 4.0131 4.0131 4.4278 4.4278 4.6049 4.6049 5.2258 5.2258 6.4391 6.4391 7.3971 7.3971 7.8838 7.8838 8.5287 8.5287 k = 0.1071 0.0948 1.0366 ( 17162 PWs) bands (ev): -15.3886 -15.3886 -15.3649 -15.3649 -4.8123 -4.8123 -4.6553 -4.6553 -4.4201 -4.4201 -4.2248 -4.2248 -3.1466 -3.1466 -3.0494 -3.0494 -2.6970 -2.6970 -2.5719 -2.5719 0.9883 0.9883 2.1654 2.1654 2.5667 2.5667 2.7844 2.7844 3.1891 3.1891 3.5727 3.5727 4.0138 4.0138 4.4260 4.4260 4.6075 4.6075 5.2264 5.2264 6.4314 6.4314 7.3878 7.3878 7.9061 7.9061 8.4929 8.4929 k = 0.1250 0.1106 1.0366 ( 17162 PWs) bands (ev): -15.3886 -15.3886 -15.3649 -15.3649 -4.8132 -4.8132 -4.6503 -4.6503 -4.4269 -4.4269 -4.2219 -4.2219 -3.1507 -3.1507 -3.0477 -3.0477 -2.6984 -2.6984 -2.5675 -2.5675 0.9882 0.9882 2.1656 2.1656 2.5591 2.5591 2.7901 2.7901 3.1902 3.1902 3.5723 3.5723 4.0145 4.0145 4.4241 4.4241 4.6103 4.6103 5.2272 5.2272 6.4234 6.4234 7.3794 7.3794 7.9281 7.9281 8.4601 8.4601 k = 0.1429 0.1264 1.0366 ( 17170 PWs) bands (ev): -15.3886 -15.3886 -15.3649 -15.3649 -4.8140 -4.8140 -4.6452 -4.6452 -4.4338 -4.4338 -4.2191 -4.2191 -3.1547 -3.1547 -3.0462 -3.0462 -2.6997 -2.6997 -2.5632 -2.5632 0.9880 0.9880 2.1658 2.1658 2.5518 2.5518 2.7954 2.7954 3.1913 3.1913 3.5720 3.5720 4.0152 4.0152 4.4223 4.4223 4.6130 4.6130 5.2279 5.2279 6.4153 6.4153 7.3723 7.3723 7.9486 7.9486 8.4309 8.4309 k = 0.1607 0.1422 1.0366 ( 17164 PWs) bands (ev): -15.3886 -15.3886 -15.3649 -15.3649 -4.8148 -4.8148 -4.6401 -4.6401 -4.4406 -4.4406 -4.2166 -4.2166 -3.1583 -3.1583 -3.0449 -3.0449 -2.7008 -2.7008 -2.5593 -2.5593 0.9879 0.9879 2.1660 2.1660 2.5452 2.5452 2.8002 2.8002 3.1923 3.1923 3.5717 3.5717 4.0159 4.0159 4.4207 4.4207 4.6156 4.6156 5.2286 5.2286 6.4076 6.4076 7.3665 7.3665 7.9669 7.9669 8.4057 8.4057 k = 0.1786 0.1580 1.0366 ( 17160 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8154 -4.8154 -4.6353 -4.6353 -4.4468 -4.4468 -4.2145 -4.2145 -3.1615 -3.1615 -3.0438 -3.0438 -2.7017 -2.7017 -2.5558 -2.5558 0.9878 0.9878 2.1661 2.1661 2.5395 2.5395 2.8042 2.8042 3.1932 3.1932 3.5714 3.5714 4.0164 4.0164 4.4192 4.4192 4.6179 4.6179 5.2292 5.2292 6.4007 6.4007 7.3620 7.3620 7.9825 7.9825 8.3848 8.3848 k = 0.1964 0.1738 1.0366 ( 17168 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8160 -4.8160 -4.6311 -4.6311 -4.4521 -4.4521 -4.2127 -4.2127 -3.1641 -3.1641 -3.0430 -3.0430 -2.7025 -2.7025 -2.5530 -2.5530 0.9877 0.9877 2.1663 2.1663 2.5349 2.5349 2.8075 2.8075 3.1940 3.1940 3.5712 3.5712 4.0169 4.0169 4.4180 4.4180 4.6197 4.6197 5.2297 5.2297 6.3949 6.3949 7.3587 7.3587 7.9950 7.9950 8.3683 8.3683 k = 0.2143 0.1896 1.0366 ( 17170 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8164 -4.8164 -4.6278 -4.6278 -4.4562 -4.4562 -4.2114 -4.2114 -3.1660 -3.1660 -3.0424 -3.0424 -2.7030 -2.7030 -2.5509 -2.5509 0.9876 0.9876 2.1664 2.1664 2.5315 2.5315 2.8099 2.8099 3.1946 3.1946 3.5710 3.5710 4.0173 4.0173 4.4171 4.4171 4.6212 4.6212 5.2301 5.2301 6.3906 6.3906 7.3564 7.3564 8.0041 8.0041 8.3565 8.3565 k = 0.2321 0.2054 1.0366 ( 17166 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8166 -4.8166 -4.6257 -4.6257 -4.4588 -4.4588 -4.2106 -4.2106 -3.1672 -3.1672 -3.0420 -3.0420 -2.7033 -2.7033 -2.5496 -2.5496 0.9876 0.9876 2.1664 2.1664 2.5294 2.5294 2.8113 2.8113 3.1949 3.1949 3.5709 3.5709 4.0175 4.0175 4.4165 4.4165 4.6220 4.6220 5.2304 5.2304 6.3879 6.3879 7.3552 7.3552 8.0096 8.0096 8.3494 8.3494 k = 0.2500 0.2212 1.0366 ( 17168 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8167 -4.8167 -4.6250 -4.6250 -4.4597 -4.4597 -4.2104 -4.2104 -3.1676 -3.1676 -3.0419 -3.0419 -2.7034 -2.7034 -2.5492 -2.5492 0.9876 0.9876 2.1665 2.1665 2.5287 2.5287 2.8118 2.8118 3.1951 3.1951 3.5708 3.5708 4.0176 4.0176 4.4163 4.4163 4.6223 4.6223 5.2304 5.2304 6.3870 6.3870 7.3547 7.3547 8.0115 8.0115 8.3470 8.3470 k = 0.2500 0.2212 1.0366 ( 17168 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8167 -4.8167 -4.6250 -4.6250 -4.4597 -4.4597 -4.2104 -4.2104 -3.1676 -3.1676 -3.0419 -3.0419 -2.7034 -2.7034 -2.5492 -2.5492 0.9876 0.9876 2.1665 2.1665 2.5287 2.5287 2.8118 2.8118 3.1951 3.1951 3.5708 3.5708 4.0176 4.0176 4.4163 4.4163 4.6223 4.6223 5.2304 5.2304 6.3870 6.3870 7.3547 7.3547 8.0115 8.0115 8.3470 8.3470 k = 0.2353 0.2378 1.0271 ( 17164 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8170 -4.8170 -4.6246 -4.6246 -4.4595 -4.4595 -4.2106 -4.2106 -3.1675 -3.1675 -3.0420 -3.0420 -2.7034 -2.7034 -2.5492 -2.5492 0.9873 0.9873 2.1667 2.1667 2.5295 2.5295 2.8115 2.8115 3.1940 3.1940 3.5710 3.5710 4.0178 4.0178 4.4163 4.4163 4.6199 4.6199 5.2327 5.2327 6.3904 6.3904 7.3546 7.3546 8.0076 8.0076 8.3505 8.3505 k = 0.2206 0.2544 1.0175 ( 17164 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8177 -4.8177 -4.6236 -4.6236 -4.4590 -4.4590 -4.2114 -4.2114 -3.1674 -3.1674 -3.0422 -3.0422 -2.7034 -2.7034 -2.5491 -2.5491 0.9866 0.9866 2.1676 2.1676 2.5320 2.5320 2.8108 2.8108 3.1907 3.1907 3.5716 3.5716 4.0182 4.0182 4.4162 4.4162 4.6129 4.6129 5.2394 5.2394 6.4005 6.4005 7.3543 7.3543 7.9961 7.9961 8.3610 8.3610 k = 0.2059 0.2711 1.0079 ( 17158 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8189 -4.8189 -4.6219 -4.6219 -4.4583 -4.4583 -4.2126 -4.2126 -3.1671 -3.1671 -3.0425 -3.0425 -2.7034 -2.7034 -2.5490 -2.5490 0.9855 0.9855 2.1690 2.1690 2.5361 2.5361 2.8096 2.8096 3.1854 3.1854 3.5724 3.5724 4.0190 4.0190 4.4160 4.4160 4.6018 4.6018 5.2500 5.2500 6.4171 6.4171 7.3537 7.3537 7.9777 7.9777 8.3776 8.3776 k = 0.1912 0.2877 0.9983 ( 17148 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8205 -4.8205 -4.6197 -4.6197 -4.4572 -4.4572 -4.2144 -4.2144 -3.1668 -3.1668 -3.0430 -3.0430 -2.7034 -2.7034 -2.5489 -2.5489 0.9839 0.9839 2.1709 2.1709 2.5416 2.5416 2.8079 2.8079 3.1782 3.1782 3.5736 3.5736 4.0201 4.0201 4.4157 4.4157 4.5873 4.5873 5.2637 5.2637 6.4401 6.4401 7.3530 7.3530 7.9532 7.9532 8.3997 8.3997 k = 0.1765 0.3043 0.9887 ( 17152 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8224 -4.8224 -4.6170 -4.6170 -4.4558 -4.4558 -4.2165 -4.2165 -3.1663 -3.1663 -3.0435 -3.0435 -2.7034 -2.7034 -2.5488 -2.5488 0.9820 0.9820 2.1732 2.1732 2.5485 2.5485 2.8057 2.8057 3.1695 3.1695 3.5750 3.5750 4.0215 4.0215 4.4153 4.4153 4.5703 4.5703 5.2797 5.2797 6.4692 6.4692 7.3522 7.3522 7.9233 7.9233 8.4265 8.4265 k = 0.1618 0.3209 0.9791 ( 17162 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8245 -4.8245 -4.6140 -4.6140 -4.4542 -4.4542 -4.2190 -4.2190 -3.1658 -3.1658 -3.0442 -3.0442 -2.7034 -2.7034 -2.5486 -2.5486 0.9799 0.9799 2.1760 2.1760 2.5565 2.5565 2.8032 2.8032 3.1596 3.1596 3.5766 3.5766 4.0231 4.0231 4.4147 4.4147 4.5517 4.5517 5.2972 5.2972 6.5039 6.5039 7.3514 7.3514 7.8885 7.8885 8.4577 8.4577 k = 0.1471 0.3375 0.9696 ( 17164 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8268 -4.8268 -4.6108 -4.6108 -4.4523 -4.4523 -4.2219 -4.2219 -3.1653 -3.1653 -3.0449 -3.0449 -2.7034 -2.7034 -2.5484 -2.5484 0.9775 0.9775 2.1790 2.1790 2.5653 2.5653 2.8002 2.8002 3.1487 3.1487 3.5782 3.5782 4.0250 4.0250 4.4138 4.4138 4.5324 4.5324 5.3153 5.3153 6.5437 6.5437 7.3507 7.3507 7.8492 7.8492 8.4930 8.4930 k = 0.1324 0.3542 0.9600 ( 17170 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8291 -4.8291 -4.6076 -4.6076 -4.4502 -4.4502 -4.2249 -4.2249 -3.1647 -3.1647 -3.0456 -3.0456 -2.7034 -2.7034 -2.5482 -2.5482 0.9751 0.9751 2.1823 2.1823 2.5749 2.5749 2.7969 2.7969 3.1374 3.1374 3.5800 3.5800 4.0271 4.0271 4.4126 4.4126 4.5131 4.5131 5.3333 5.3333 6.5881 6.5881 7.3500 7.3500 7.8058 7.8058 8.5323 8.5323 k = 0.1176 0.3708 0.9504 ( 17158 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8314 -4.8314 -4.6044 -4.6044 -4.4480 -4.4480 -4.2281 -4.2281 -3.1640 -3.1640 -3.0464 -3.0464 -2.7034 -2.7034 -2.5481 -2.5481 0.9726 0.9726 2.1857 2.1857 2.5848 2.5848 2.7934 2.7934 3.1259 3.1259 3.5817 3.5817 4.0293 4.0293 4.4108 4.4108 4.4948 4.4948 5.3507 5.3507 6.6365 6.6365 7.3495 7.3495 7.7588 7.7588 8.5755 8.5755 k = 0.1029 0.3874 0.9408 ( 17160 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8336 -4.8336 -4.6013 -4.6013 -4.4457 -4.4457 -4.2314 -4.2314 -3.1634 -3.1634 -3.0472 -3.0472 -2.7034 -2.7034 -2.5479 -2.5479 0.9702 0.9702 2.1891 2.1891 2.5947 2.5947 2.7897 2.7897 3.1146 3.1146 3.5834 3.5834 4.0316 4.0316 4.4082 4.4082 4.4782 4.4782 5.3670 5.3670 6.6880 6.6880 7.3492 7.3492 7.7088 7.7088 8.6226 8.6226 k = 0.0882 0.4040 0.9312 ( 17154 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8356 -4.8356 -4.5985 -4.5985 -4.4433 -4.4433 -4.2345 -4.2345 -3.1628 -3.1628 -3.0479 -3.0479 -2.7035 -2.7035 -2.5477 -2.5477 0.9679 0.9679 2.1924 2.1924 2.6044 2.6044 2.7859 2.7859 3.1040 3.1040 3.5849 3.5849 4.0339 4.0339 4.4044 4.4044 4.4642 4.4642 5.3818 5.3818 6.7417 6.7417 7.3490 7.3490 7.6566 7.6566 8.6733 8.6733 k = 0.0735 0.4206 0.9217 ( 17162 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8374 -4.8374 -4.5960 -4.5960 -4.4411 -4.4411 -4.2375 -4.2375 -3.1623 -3.1623 -3.0486 -3.0486 -2.7035 -2.7035 -2.5475 -2.5475 0.9659 0.9659 2.1955 2.1955 2.6135 2.6135 2.7822 2.7822 3.0943 3.0943 3.5864 3.5864 4.0361 4.0361 4.3992 4.3992 4.4534 4.4534 5.3948 5.3948 6.7964 6.7964 7.3490 7.3490 7.6032 7.6032 8.7273 8.7273 k = 0.0588 0.4373 0.9121 ( 17150 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8390 -4.8390 -4.5939 -4.5939 -4.4390 -4.4390 -4.2402 -4.2402 -3.1618 -3.1618 -3.0492 -3.0492 -2.7035 -2.7035 -2.5474 -2.5474 0.9641 0.9641 2.1982 2.1982 2.6217 2.6217 2.7788 2.7788 3.0859 3.0859 3.5876 3.5876 4.0382 4.0382 4.3930 4.3930 4.4460 4.4460 5.4057 5.4057 6.8504 6.8504 7.3493 7.3493 7.5502 7.5502 8.7837 8.7837 k = 0.0441 0.4539 0.9025 ( 17148 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8402 -4.8402 -4.5922 -4.5922 -4.4373 -4.4373 -4.2424 -4.2424 -3.1614 -3.1614 -3.0497 -3.0497 -2.7035 -2.7035 -2.5473 -2.5473 0.9627 0.9627 2.2004 2.2004 2.6286 2.6286 2.7758 2.7758 3.0790 3.0790 3.5886 3.5886 4.0400 4.0400 4.3867 4.3867 4.4412 4.4412 5.4143 5.4143 6.9012 6.9012 7.3498 7.3498 7.5000 7.5000 8.8407 8.8407 k = 0.0294 0.4705 0.8929 ( 17140 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8411 -4.8411 -4.5910 -4.5910 -4.4360 -4.4360 -4.2441 -4.2441 -3.1611 -3.1611 -3.0501 -3.0501 -2.7035 -2.7035 -2.5472 -2.5472 0.9616 0.9616 2.2021 2.2021 2.6338 2.6338 2.7734 2.7734 3.0740 3.0740 3.5893 3.5893 4.0414 4.0414 4.3814 4.3814 4.4384 4.4384 5.4205 5.4205 6.9448 6.9448 7.3507 7.3507 7.4563 7.4563 8.8943 8.8943 k = 0.0147 0.4871 0.8833 ( 17142 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8416 -4.8416 -4.5902 -4.5902 -4.4351 -4.4351 -4.2451 -4.2451 -3.1609 -3.1609 -3.0503 -3.0503 -2.7035 -2.7035 -2.5471 -2.5471 0.9610 0.9610 2.2031 2.2031 2.6371 2.6371 2.7719 2.7719 3.0709 3.0709 3.5898 3.5898 4.0422 4.0422 4.3779 4.3779 4.4369 4.4369 5.4243 5.4243 6.9757 6.9757 7.3520 7.3520 7.4247 7.4247 8.9363 8.9363 k = 0.0000 0.5037 0.8737 ( 17146 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8418 -4.8418 -4.5900 -4.5900 -4.4348 -4.4348 -4.2455 -4.2455 -3.1608 -3.1608 -3.0504 -3.0504 -2.7035 -2.7035 -2.5471 -2.5471 0.9607 0.9607 2.2035 2.2035 2.6382 2.6382 2.7713 2.7713 3.0698 3.0698 3.5899 3.5899 4.0425 4.0425 4.3767 4.3767 4.4365 4.4365 5.4256 5.4256 6.9870 6.9870 7.3528 7.3528 7.4127 7.4127 8.9531 8.9531 k = 0.0000 0.5037 0.8737 ( 17146 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8418 -4.8418 -4.5900 -4.5900 -4.4348 -4.4348 -4.2455 -4.2455 -3.1608 -3.1608 -3.0504 -3.0504 -2.7035 -2.7035 -2.5471 -2.5471 0.9607 0.9607 2.2035 2.2035 2.6382 2.6382 2.7713 2.7713 3.0698 3.0698 3.5899 3.5899 4.0425 4.0425 4.3767 4.3767 4.4365 4.4365 5.4256 5.4256 6.9870 6.9870 7.3528 7.3528 7.4127 7.4127 8.9531 8.9531 k = 0.0187 0.5162 0.8666 ( 17139 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8421 -4.8421 -4.5900 -4.5900 -4.4350 -4.4350 -4.2452 -4.2452 -3.1606 -3.1606 -3.0502 -3.0502 -2.7032 -2.7032 -2.5475 -2.5475 0.9612 0.9612 2.2028 2.2028 2.6390 2.6390 2.7713 2.7713 3.0694 3.0694 3.5899 3.5899 4.0429 4.0429 4.3765 4.3765 4.4368 4.4368 5.4251 5.4251 6.9865 6.9865 7.3474 7.3474 7.4183 7.4183 8.9482 8.9482 k = 0.0374 0.5286 0.8594 ( 17147 PWs) bands (ev): -15.3886 -15.3886 -15.3650 -15.3650 -4.8429 -4.8429 -4.5902 -4.5902 -4.4354 -4.4354 -4.2445 -4.2445 -3.1597 -3.1597 -3.0496 -3.0496 -2.7025 -2.7025 -2.5484 -2.5484 0.9627 0.9627 2.2006 2.2006 2.6414 2.6414 2.7713 2.7713 3.0682 3.0682 3.5899 3.5899 4.0439 4.0439 4.3758 4.3758 4.4376 4.4376 5.4238 5.4238 6.9851 6.9851 7.3349 7.3349 7.4317 7.4317 8.9341 8.9341 k = 0.0562 0.5410 0.8522 ( 17151 PWs) bands (ev): -15.3887 -15.3887 -15.3652 -15.3652 -4.8443 -4.8443 -4.5906 -4.5906 -4.4360 -4.4360 -4.2432 -4.2432 -3.1584 -3.1584 -3.0486 -3.0486 -2.7013 -2.7013 -2.5500 -2.5500 0.9650 0.9650 2.1970 2.1970 2.6453 2.6453 2.7713 2.7713 3.0662 3.0662 3.5898 3.5898 4.0455 4.0455 4.3748 4.3748 4.4390 4.4390 5.4217 5.4217 6.9827 6.9827 7.3198 7.3198 7.4483 7.4483 8.9120 8.9120 k = 0.0749 0.5535 0.8451 ( 17149 PWs) bands (ev): -15.3888 -15.3888 -15.3653 -15.3653 -4.8461 -4.8461 -4.5912 -4.5912 -4.4366 -4.4366 -4.2416 -4.2416 -3.1566 -3.1566 -3.0472 -3.0472 -2.6996 -2.6996 -2.5522 -2.5522 0.9684 0.9684 2.1922 2.1922 2.6504 2.6504 2.7713 2.7713 3.0636 3.0636 3.5896 3.5896 4.0478 4.0478 4.3733 4.3733 4.4410 4.4410 5.4187 5.4187 6.9795 6.9795 7.3040 7.3040 7.4664 7.4664 8.8839 8.8839 k = 0.0936 0.5659 0.8379 ( 17154 PWs) bands (ev): -15.3889 -15.3889 -15.3656 -15.3656 -4.8484 -4.8484 -4.5921 -4.5921 -4.4373 -4.4373 -4.2396 -4.2396 -3.1543 -3.1543 -3.0455 -3.0455 -2.6975 -2.6975 -2.5549 -2.5549 0.9726 0.9726 2.1864 2.1864 2.6563 2.6563 2.7715 2.7715 3.0604 3.0604 3.5894 3.5894 4.0506 4.0506 4.3713 4.3713 4.4436 4.4436 5.4150 5.4150 6.9753 6.9753 7.2885 7.2885 7.4852 7.4852 8.8516 8.8516 k = 0.1123 0.5783 0.8307 ( 17154 PWs) bands (ev): -15.3890 -15.3890 -15.3659 -15.3659 -4.8510 -4.8510 -4.5933 -4.5933 -4.4379 -4.4379 -4.2374 -4.2374 -3.1517 -3.1517 -3.0435 -3.0435 -2.6949 -2.6949 -2.5581 -2.5581 0.9777 0.9777 2.1795 2.1795 2.6628 2.6628 2.7720 2.7720 3.0568 3.0568 3.5891 3.5891 4.0538 4.0538 4.3688 4.3688 4.4468 4.4468 5.4104 5.4104 6.9703 6.9703 7.2737 7.2737 7.5041 7.5041 8.8169 8.8169 k = 0.1310 0.5908 0.8236 ( 17166 PWs) bands (ev): -15.3892 -15.3892 -15.3662 -15.3662 -4.8540 -4.8540 -4.5949 -4.5949 -4.4382 -4.4382 -4.2351 -4.2351 -3.1487 -3.1487 -3.0412 -3.0412 -2.6919 -2.6919 -2.5617 -2.5617 0.9837 0.9837 2.1719 2.1719 2.6694 2.6694 2.7730 2.7730 3.0529 3.0529 3.5887 3.5887 4.0575 4.0575 4.3658 4.3658 4.4506 4.4506 5.4051 5.4051 6.9645 6.9645 7.2602 7.2602 7.5229 7.5229 8.7816 8.7816 k = 0.1497 0.6032 0.8164 ( 17164 PWs) bands (ev): -15.3895 -15.3895 -15.3666 -15.3666 -4.8572 -4.8572 -4.5969 -4.5969 -4.4381 -4.4381 -4.2327 -4.2327 -3.1455 -3.1455 -3.0388 -3.0388 -2.6885 -2.6885 -2.5655 -2.5655 0.9906 0.9906 2.1637 2.1637 2.6755 2.6755 2.7747 2.7747 3.0489 3.0489 3.5881 3.5881 4.0615 4.0615 4.3621 4.3621 4.4551 4.4551 5.3991 5.3991 6.9578 6.9578 7.2484 7.2484 7.5409 7.5409 8.7469 8.7469 k = 0.1685 0.6156 0.8092 ( 17154 PWs) bands (ev): -15.3897 -15.3897 -15.3671 -15.3671 -4.8606 -4.8606 -4.5993 -4.5993 -4.4376 -4.4376 -4.2304 -4.2304 -3.1421 -3.1421 -3.0363 -3.0363 -2.6848 -2.6848 -2.5695 -2.5695 0.9982 0.9982 2.1551 2.1551 2.6807 2.6807 2.7773 2.7773 3.0451 3.0451 3.5874 3.5874 4.0658 4.0658 4.3579 4.3579 4.4604 4.4604 5.3925 5.3925 6.9504 6.9504 7.2385 7.2385 7.5580 7.5580 8.7139 8.7139 k = 0.1872 0.6280 0.8021 ( 17164 PWs) bands (ev): -15.3900 -15.3900 -15.3676 -15.3676 -4.8642 -4.8642 -4.6021 -4.6021 -4.4367 -4.4367 -4.2281 -4.2281 -3.1387 -3.1387 -3.0337 -3.0337 -2.6809 -2.6809 -2.5736 -2.5736 1.0066 1.0066 2.1461 2.1461 2.6844 2.6844 2.7810 2.7810 3.0417 3.0417 3.5866 3.5866 4.0703 4.0703 4.3531 4.3531 4.4664 4.4664 5.3853 5.3853 6.9422 6.9422 7.2309 7.2309 7.5736 7.5736 8.6834 8.6834 k = 0.2059 0.6405 0.7949 ( 17162 PWs) bands (ev): -15.3904 -15.3904 -15.3681 -15.3681 -4.8678 -4.8678 -4.6053 -4.6053 -4.4352 -4.4352 -4.2260 -4.2260 -3.1353 -3.1353 -3.0311 -3.0311 -2.6770 -2.6770 -2.5774 -2.5774 1.0157 1.0157 2.1370 2.1370 2.6865 2.6865 2.7856 2.7856 3.0389 3.0389 3.5857 3.5857 4.0749 4.0749 4.3477 4.3477 4.4732 4.4732 5.3775 5.3775 6.9333 6.9333 7.2257 7.2257 7.5876 7.5876 8.6561 8.6561 k = 0.2246 0.6529 0.7877 ( 17154 PWs) bands (ev): -15.3907 -15.3907 -15.3687 -15.3687 -4.8713 -4.8713 -4.6088 -4.6088 -4.4333 -4.4333 -4.2241 -4.2241 -3.1319 -3.1319 -3.0286 -3.0286 -2.6731 -2.6731 -2.5809 -2.5809 1.0255 1.0255 2.1277 2.1277 2.6868 2.6868 2.7910 2.7910 3.0371 3.0371 3.5846 3.5846 4.0797 4.0797 4.3417 4.3417 4.4807 4.4807 5.3692 5.3692 6.9236 6.9236 7.2230 7.2230 7.5997 7.5997 8.6325 8.6325 k = 0.2433 0.6653 0.7806 ( 17163 PWs) bands (ev): -15.3912 -15.3912 -15.3693 -15.3693 -4.8748 -4.8748 -4.6125 -4.6125 -4.4310 -4.4310 -4.2224 -4.2224 -3.1286 -3.1286 -3.0262 -3.0262 -2.6697 -2.6697 -2.5837 -2.5837 1.0359 1.0359 2.1184 2.1184 2.6854 2.6854 2.7969 2.7969 3.0364 3.0364 3.5834 3.5834 4.0847 4.0847 4.3352 4.3352 4.4892 4.4892 5.3606 5.3606 6.9132 6.9132 7.2228 7.2228 7.6100 7.6100 8.6129 8.6129 k = 0.2620 0.6778 0.7734 ( 17153 PWs) bands (ev): -15.3916 -15.3916 -15.3699 -15.3699 -4.8782 -4.8782 -4.6164 -4.6164 -4.4282 -4.4282 -4.2209 -4.2209 -3.1255 -3.1255 -3.0239 -3.0239 -2.6668 -2.6668 -2.5857 -2.5857 1.0469 1.0469 2.1092 2.1092 2.6824 2.6824 2.8028 2.8028 3.0371 3.0371 3.5821 3.5821 4.0899 4.0899 4.3282 4.3282 4.4984 4.4984 5.3516 5.3516 6.9023 6.9023 7.2248 7.2248 7.6189 7.6189 8.5977 8.5977 k = 0.2808 0.6902 0.7662 ( 17149 PWs) bands (ev): -15.3921 -15.3921 -15.3706 -15.3706 -4.8815 -4.8815 -4.6204 -4.6204 -4.4251 -4.4251 -4.2198 -4.2198 -3.1227 -3.1227 -3.0217 -3.0217 -2.6649 -2.6649 -2.5866 -2.5866 1.0584 1.0584 2.1001 2.1001 2.6781 2.6781 2.8084 2.8084 3.0394 3.0394 3.5806 3.5806 4.0952 4.0952 4.3207 4.3207 4.5086 4.5086 5.3423 5.3423 6.8909 6.8909 7.2289 7.2289 7.6269 7.6269 8.5872 8.5872 k = 0.2808 0.6902 0.7662 ( 17149 PWs) bands (ev): -15.3921 -15.3921 -15.3706 -15.3706 -4.8815 -4.8815 -4.6204 -4.6204 -4.4251 -4.4251 -4.2198 -4.2198 -3.1227 -3.1227 -3.0217 -3.0217 -2.6649 -2.6649 -2.5866 -2.5866 1.0584 1.0584 2.1001 2.1001 2.6781 2.6781 2.8084 2.8084 3.0394 3.0394 3.5806 3.5806 4.0952 4.0952 4.3207 4.3207 4.5086 4.5086 5.3423 5.3423 6.8909 6.8909 7.2289 7.2289 7.6269 7.6269 8.5872 8.5872 k = 0.2870 0.6831 0.7444 ( 17163 PWs) bands (ev): -15.3940 -15.3940 -15.3728 -15.3728 -4.8920 -4.8920 -4.6330 -4.6330 -4.4145 -4.4145 -4.2164 -4.2164 -3.1138 -3.1138 -3.0149 -3.0149 -2.6610 -2.6610 -2.5876 -2.5876 1.0972 1.0972 2.0725 2.0725 2.6573 2.6573 2.8218 2.8218 3.0576 3.0576 3.5757 3.5757 4.1127 4.1127 4.2982 4.2982 4.5419 4.5419 5.3120 5.3120 6.8531 6.8531 7.2471 7.2471 7.6546 7.6546 8.5651 8.5651 k = 0.2933 0.6760 0.7225 ( 17169 PWs) bands (ev): -15.3962 -15.3962 -15.3754 -15.3754 -4.9040 -4.9040 -4.6466 -4.6466 -4.4025 -4.4025 -4.2122 -4.2122 -3.1037 -3.1037 -3.0071 -3.0071 -2.6578 -2.6578 -2.5888 -2.5888 1.1418 1.1418 2.0455 2.0455 2.6267 2.6267 2.8286 2.8286 3.0925 3.0925 3.5699 3.5699 4.1316 4.1316 4.2776 4.2776 4.5766 4.5766 5.2786 5.2786 6.8109 6.8109 7.2708 7.2708 7.6893 7.6893 8.5492 8.5492 k = 0.2995 0.6690 0.7006 ( 17167 PWs) bands (ev): -15.3987 -15.3987 -15.3784 -15.3784 -4.9178 -4.9178 -4.6609 -4.6609 -4.3893 -4.3893 -4.2071 -4.2071 -3.0925 -3.0925 -2.9982 -2.9982 -2.6552 -2.6552 -2.5903 -2.5903 1.1917 1.1917 2.0197 2.0197 2.5882 2.5882 2.8308 2.8308 3.1403 3.1403 3.5632 3.5632 4.1512 4.1512 4.2593 4.2593 4.6124 4.6124 5.2429 5.2429 6.7649 6.7649 7.2998 7.2998 7.7306 7.7306 8.5395 8.5395 k = 0.3058 0.6619 0.6787 ( 17169 PWs) bands (ev): -15.4016 -15.4016 -15.3816 -15.3816 -4.9333 -4.9333 -4.6758 -4.6758 -4.3748 -4.3748 -4.2010 -4.2010 -3.0800 -3.0800 -2.9883 -2.9883 -2.6531 -2.6531 -2.5920 -2.5920 1.2465 1.2465 1.9953 1.9953 2.5438 2.5438 2.8312 2.8312 3.1957 3.1957 3.5565 3.5565 4.1705 4.1705 4.2439 4.2439 4.6487 4.6487 5.2055 5.2055 6.7159 6.7159 7.3340 7.3340 7.7780 7.7780 8.5358 8.5358 k = 0.3121 0.6548 0.6568 ( 17157 PWs) bands (ev): -15.4047 -15.4047 -15.3851 -15.3851 -4.9505 -4.9505 -4.6913 -4.6913 -4.3593 -4.3593 -4.1939 -4.1939 -3.0663 -3.0663 -2.9772 -2.9772 -2.6518 -2.6518 -2.5939 -2.5939 1.3057 1.3057 1.9726 1.9726 2.4955 2.4955 2.8314 2.8314 3.2539 3.2539 3.5515 3.5515 4.1867 4.1867 4.2339 4.2339 4.6850 4.6850 5.1671 5.1671 6.6645 6.6645 7.3731 7.3731 7.8311 7.8311 8.5375 8.5375 k = 0.3183 0.6477 0.6349 ( 17149 PWs) bands (ev): -15.4081 -15.4081 -15.3889 -15.3889 -4.9695 -4.9695 -4.7072 -4.7072 -4.3429 -4.3429 -4.1859 -4.1859 -3.0513 -3.0513 -2.9650 -2.9650 -2.6510 -2.6510 -2.5961 -2.5961 1.3686 1.3686 1.9517 1.9517 2.4452 2.4452 2.8320 2.8320 3.3091 3.3091 3.5519 3.5519 4.1915 4.1915 4.2371 4.2371 4.7210 4.7210 5.1286 5.1286 6.6118 6.6118 7.4169 7.4169 7.8894 7.8894 8.5444 8.5444 k = 0.3246 0.6406 0.6130 ( 17147 PWs) bands (ev): -15.4118 -15.4118 -15.3929 -15.3929 -4.9901 -4.9901 -4.7233 -4.7233 -4.3256 -4.3256 -4.1769 -4.1769 -3.0351 -3.0351 -2.9516 -2.9516 -2.6509 -2.6509 -2.5984 -2.5984 1.4343 1.4343 1.9325 1.9325 2.3948 2.3948 2.8331 2.8331 3.3533 3.3533 3.5644 3.5644 4.1845 4.1845 4.2536 4.2536 4.7559 4.7559 5.0909 5.0909 6.5584 6.5584 7.4650 7.4650 7.9524 7.9524 8.5560 8.5560 k = 0.3309 0.6336 0.5911 ( 17137 PWs) bands (ev): -15.4158 -15.4158 -15.3972 -15.3972 -5.0121 -5.0121 -4.7396 -4.7396 -4.3078 -4.3078 -4.1671 -4.1671 -3.0174 -3.0174 -2.9370 -2.9370 -2.6513 -2.6513 -2.6009 -2.6009 1.5015 1.5015 1.9148 1.9148 2.3463 2.3463 2.8348 2.8348 3.3786 3.3786 3.5962 3.5962 4.1740 4.1740 4.2751 4.2751 4.7885 4.7885 5.0555 5.0555 6.5055 6.5055 7.5173 7.5173 8.0198 8.0198 8.5718 8.5718 k = 0.3371 0.6265 0.5692 ( 17129 PWs) bands (ev): -15.4199 -15.4199 -15.4016 -15.4016 -5.0355 -5.0355 -4.7561 -4.7561 -4.2894 -4.2894 -4.1565 -4.1565 -2.9985 -2.9985 -2.9211 -2.9211 -2.6522 -2.6522 -2.6036 -2.6036 1.5688 1.5688 1.8983 1.8983 2.3019 2.3019 2.8369 2.8369 3.3851 3.3851 3.6459 3.6459 4.1632 4.1632 4.2984 4.2984 4.8170 4.8170 5.0245 5.0245 6.4540 6.4540 7.5734 7.5734 8.0910 8.0910 8.5912 8.5912 k = 0.3434 0.6194 0.5473 ( 17135 PWs) bands (ev): -15.4242 -15.4242 -15.4062 -15.4062 -5.0600 -5.0600 -4.7726 -4.7726 -4.2707 -4.2707 -4.1454 -4.1454 -2.9782 -2.9782 -2.9039 -2.9039 -2.6537 -2.6537 -2.6064 -2.6064 1.6335 1.6335 1.8825 1.8825 2.2649 2.2649 2.8393 2.8393 3.3801 3.3801 3.7052 3.7052 4.1532 4.1532 4.3226 4.3226 4.8372 4.8372 5.0025 5.0025 6.4049 6.4049 7.6327 7.6327 8.1656 8.1656 8.6139 8.6139 k = 0.3497 0.6123 0.5254 ( 17143 PWs) bands (ev): -15.4286 -15.4286 -15.4109 -15.4109 -5.0853 -5.0853 -4.7890 -4.7890 -4.2520 -4.2520 -4.1338 -4.1338 -2.9565 -2.9565 -2.8854 -2.8854 -2.6556 -2.6556 -2.6093 -2.6093 1.6922 1.6922 1.8663 1.8663 2.2395 2.2395 2.8418 2.8418 3.3693 3.3693 3.7665 3.7665 4.1452 4.1452 4.3476 4.3476 4.8429 4.8429 4.9956 4.9956 6.3594 6.3594 7.6949 7.6949 8.2432 8.2432 8.6393 8.6393 k = 0.3559 0.6052 0.5035 ( 17149 PWs) bands (ev): -15.4332 -15.4332 -15.4157 -15.4157 -5.1113 -5.1113 -4.8053 -4.8053 -4.2333 -4.2333 -4.1219 -4.1219 -2.9336 -2.9336 -2.8656 -2.8656 -2.6578 -2.6578 -2.6123 -2.6123 1.7398 1.7398 1.8493 1.8493 2.2312 2.2312 2.8443 2.8443 3.3562 3.3562 3.8241 3.8241 4.1410 4.1410 4.3733 4.3733 4.8327 4.8327 5.0058 5.0058 6.3187 6.3187 7.7594 7.7594 8.3232 8.3232 8.6670 8.6670 k = 0.3622 0.5982 0.4816 ( 17151 PWs) bands (ev): -15.4378 -15.4378 -15.4206 -15.4206 -5.1378 -5.1378 -4.8215 -4.8215 -4.2148 -4.2148 -4.1099 -4.1099 -2.9094 -2.9094 -2.8445 -2.8445 -2.6604 -2.6604 -2.6153 -2.6153 1.7686 1.7686 1.8342 1.8342 2.2445 2.2445 2.8466 2.8466 3.3422 3.3422 3.8722 3.8722 4.1438 4.1438 4.3998 4.3998 4.8125 4.8125 5.0271 5.0271 6.2840 6.2840 7.8255 7.8255 8.4049 8.4049 8.6965 8.6965 k = 0.3685 0.5911 0.4597 ( 17143 PWs) bands (ev): -15.4425 -15.4425 -15.4256 -15.4256 -5.1644 -5.1644 -4.8375 -4.8375 -4.1967 -4.1967 -4.0979 -4.0979 -2.8841 -2.8841 -2.8222 -2.8222 -2.6632 -2.6632 -2.6184 -2.6184 1.7663 1.7663 1.8323 1.8323 2.2798 2.2798 2.8487 2.8487 3.3287 3.3287 3.9054 3.9054 4.1568 4.1568 4.4272 4.4272 4.7887 4.7887 5.0534 5.0534 6.2568 6.2568 7.8925 7.8925 8.4875 8.4875 8.7275 8.7275 k = 0.3747 0.5840 0.4379 ( 17142 PWs) bands (ev): -15.4473 -15.4473 -15.4305 -15.4305 -5.1911 -5.1911 -4.8533 -4.8533 -4.1792 -4.1792 -4.0860 -4.0860 -2.8579 -2.8579 -2.7987 -2.7987 -2.6660 -2.6660 -2.6215 -2.6215 1.7396 1.7396 1.8404 1.8404 2.3331 2.3331 2.8504 2.8504 3.3162 3.3162 3.9212 3.9212 4.1810 4.1810 4.4552 4.4552 4.7648 4.7648 5.0816 5.0816 6.2384 6.2384 7.9594 7.9594 8.5698 8.5698 8.7597 8.7597 k = 0.3810 0.5769 0.4160 ( 17154 PWs) bands (ev): -15.4520 -15.4520 -15.4355 -15.4355 -5.2175 -5.2175 -4.8687 -4.8687 -4.1624 -4.1624 -4.0744 -4.0744 -2.8309 -2.8309 -2.7742 -2.7742 -2.6687 -2.6687 -2.6245 -2.6245 1.7037 1.7037 1.8485 1.8485 2.3983 2.3983 2.8519 2.8519 3.3055 3.3055 3.9224 3.9224 4.2124 4.2124 4.4835 4.4835 4.7429 4.7429 5.1102 5.1102 6.2302 6.2302 8.0250 8.0250 8.6500 8.6500 8.7933 8.7933 k = 0.3872 0.5698 0.3941 ( 17156 PWs) bands (ev): -15.4567 -15.4567 -15.4404 -15.4404 -5.2436 -5.2436 -4.8837 -4.8837 -4.1465 -4.1465 -4.0631 -4.0631 -2.8035 -2.8035 -2.7491 -2.7491 -2.6709 -2.6709 -2.6274 -2.6274 1.6641 1.6641 1.8555 1.8555 2.4700 2.4700 2.8532 2.8532 3.2969 3.2969 3.9136 3.9136 4.2452 4.2452 4.5112 4.5112 4.7247 4.7247 5.1382 5.1382 6.2334 6.2334 8.0881 8.0881 8.7251 8.7251 8.8290 8.8290 k = 0.3935 0.5628 0.3722 ( 17160 PWs) bands (ev): -15.4613 -15.4613 -15.4452 -15.4452 -5.2691 -5.2691 -4.8983 -4.8983 -4.1315 -4.1315 -4.0522 -4.0522 -2.7764 -2.7764 -2.7238 -2.7238 -2.6718 -2.6718 -2.6300 -2.6300 1.6231 1.6231 1.8621 1.8621 2.5438 2.5438 2.8547 2.8547 3.2909 3.2909 3.8988 3.8988 4.2750 4.2750 4.5361 4.5361 4.7127 4.7127 5.1652 5.1652 6.2489 6.2489 8.1470 8.1470 8.7894 8.7894 8.8689 8.8689 k = 0.3998 0.5557 0.3503 ( 17150 PWs) bands (ev): -15.4659 -15.4659 -15.4499 -15.4499 -5.2939 -5.2939 -4.9124 -4.9124 -4.1175 -4.1175 -4.0418 -4.0418 -2.7510 -2.7510 -2.7000 -2.7000 -2.6690 -2.6690 -2.6321 -2.6321 1.5819 1.5819 1.8688 1.8688 2.6158 2.6158 2.8576 2.8576 3.2880 3.2880 3.8802 3.8802 4.2993 4.2993 4.5543 4.5543 4.7111 4.7111 5.1910 5.1910 6.2773 6.2773 8.2002 8.2002 8.8377 8.8377 8.9129 8.9129 k = 0.4060 0.5486 0.3284 ( 17154 PWs) bands (ev): -15.4703 -15.4703 -15.4545 -15.4545 -5.3178 -5.3178 -4.9259 -4.9259 -4.1046 -4.1046 -4.0319 -4.0319 -2.7304 -2.7304 -2.6806 -2.6806 -2.6583 -2.6583 -2.6320 -2.6320 1.5414 1.5414 1.8759 1.8759 2.6815 2.6815 2.8640 2.8640 3.2886 3.2886 3.8595 3.8595 4.3168 4.3168 4.5620 4.5620 4.7236 4.7236 5.2153 5.2153 6.3186 6.3186 8.2457 8.2457 8.8708 8.8708 8.9500 8.9500 k = 0.4123 0.5415 0.3065 ( 17140 PWs) bands (ev): -15.4746 -15.4746 -15.4589 -15.4589 -5.3407 -5.3407 -4.9388 -4.9388 -4.0928 -4.0928 -4.0225 -4.0225 -2.7187 -2.7187 -2.6631 -2.6631 -2.6456 -2.6456 -2.6228 -2.6228 1.5021 1.5021 1.8835 1.8835 2.7340 2.7340 2.8788 2.8788 3.2932 3.2932 3.8377 3.8377 4.3273 4.3273 4.5596 4.5596 4.7498 4.7498 5.2380 5.2380 6.3722 6.3722 8.2819 8.2819 8.8890 8.8890 8.9645 8.9645 k = 0.4186 0.5344 0.2846 ( 17118 PWs) bands (ev): -15.4787 -15.4787 -15.4631 -15.4631 -5.3625 -5.3625 -4.9511 -4.9511 -4.0821 -4.0821 -4.0137 -4.0137 -2.7151 -2.7151 -2.6512 -2.6512 -2.6323 -2.6323 -2.6006 -2.6006 1.4644 1.4644 1.8916 1.8916 2.7663 2.7663 2.9074 2.9074 3.3024 3.3024 3.8155 3.8155 4.3310 4.3310 4.5510 4.5510 4.7861 4.7861 5.2590 5.2590 6.4371 6.4371 8.3075 8.3075 8.8774 8.8774 8.9596 8.9597 k = 0.4248 0.5274 0.2627 ( 17122 PWs) bands (ev): -15.4826 -15.4826 -15.4671 -15.4671 -5.3831 -5.3831 -4.9627 -4.9627 -4.0725 -4.0725 -4.0056 -4.0056 -2.7153 -2.7153 -2.6505 -2.6505 -2.6082 -2.6082 -2.5749 -2.5749 1.4286 1.4286 1.9000 1.9000 2.7804 2.7804 2.9464 2.9464 3.3166 3.3166 3.7936 3.7936 4.3282 4.3282 4.5398 4.5398 4.8291 4.8291 5.2784 5.2784 6.5117 6.5117 8.3217 8.3217 8.8272 8.8272 8.8674 8.8674 k = 0.4311 0.5203 0.2408 ( 17110 PWs) bands (ev): -15.4863 -15.4863 -15.4709 -15.4709 -5.4024 -5.4024 -4.9735 -4.9735 -4.0639 -4.0639 -3.9980 -3.9980 -2.7172 -2.7172 -2.6520 -2.6520 -2.5819 -2.5819 -2.5488 -2.5488 1.3950 1.3950 1.9087 1.9087 2.7843 2.7843 2.9867 2.9867 3.3359 3.3359 3.7726 3.7726 4.3199 4.3199 4.5280 4.5280 4.8767 4.8767 5.2960 5.2960 6.5945 6.5945 8.3246 8.3246 8.7572 8.7572 8.7736 8.7736 k = 0.4374 0.5132 0.2189 ( 17110 PWs) bands (ev): -15.4897 -15.4897 -15.4745 -15.4745 -5.4203 -5.4203 -4.9835 -4.9835 -4.0564 -4.0564 -3.9911 -3.9911 -2.7196 -2.7196 -2.6539 -2.6539 -2.5558 -2.5558 -2.5232 -2.5232 1.3638 1.3638 1.9175 1.9175 2.7835 2.7835 3.0225 3.0225 3.3597 3.3597 3.7530 3.7530 4.3067 4.3067 4.5166 4.5166 4.9276 4.9276 5.3120 5.3120 6.6833 6.6833 8.3166 8.3166 8.6772 8.6772 8.6921 8.6921 k = 0.4436 0.5061 0.1970 ( 17124 PWs) bands (ev): -15.4929 -15.4929 -15.4777 -15.4777 -5.4366 -5.4366 -4.9927 -4.9927 -4.0499 -4.0499 -3.9848 -3.9848 -2.7223 -2.7223 -2.6558 -2.6558 -2.5306 -2.5306 -2.4988 -2.4988 1.3351 1.3351 1.9261 1.9261 2.7806 2.7806 3.0520 3.0520 3.3868 3.3868 3.7354 3.7354 4.2898 4.2898 4.5062 4.5062 4.9806 4.9806 5.3263 5.3263 6.7762 6.7762 8.2992 8.2992 8.5984 8.5984 8.6181 8.6181 k = 0.4499 0.4990 0.1751 ( 17120 PWs) bands (ev): -15.4958 -15.4958 -15.4807 -15.4807 -5.4515 -5.4515 -5.0010 -5.0010 -4.0442 -4.0442 -3.9792 -3.9792 -2.7250 -2.7250 -2.6577 -2.6577 -2.5069 -2.5069 -2.4758 -2.4758 1.3091 1.3091 1.9345 1.9345 2.7767 2.7767 3.0753 3.0753 3.4150 3.4150 3.7204 3.7204 4.2703 4.2703 4.4970 4.4970 5.0347 5.0347 5.3389 5.3389 6.8708 6.8708 8.2743 8.2743 8.5269 8.5269 8.5488 8.5488 k = 0.4562 0.4920 0.1532 ( 17122 PWs) bands (ev): -15.4984 -15.4984 -15.4834 -15.4834 -5.4647 -5.4647 -5.0084 -5.0084 -4.0394 -4.0394 -3.9743 -3.9743 -2.7275 -2.7275 -2.6594 -2.6594 -2.4851 -2.4851 -2.4547 -2.4547 1.2858 1.2858 1.9425 1.9425 2.7725 2.7725 3.0933 3.0933 3.4422 3.4422 3.7086 3.7086 4.2492 4.2492 4.4890 4.4890 5.0886 5.0886 5.3497 5.3497 6.9648 6.9648 8.2443 8.2443 8.4636 8.4636 8.4850 8.4850 k = 0.4624 0.4849 0.1314 ( 17114 PWs) bands (ev): -15.5006 -15.5006 -15.4857 -15.4857 -5.4763 -5.4763 -5.0149 -5.0149 -4.0353 -4.0353 -3.9700 -3.9700 -2.7299 -2.7299 -2.6609 -2.6609 -2.4655 -2.4655 -2.4358 -2.4358 1.2655 1.2655 1.9498 1.9498 2.7684 2.7684 3.1072 3.1072 3.4662 3.4662 3.7008 3.7008 4.2277 4.2277 4.4823 4.4823 5.1408 5.1408 5.3586 5.3586 7.0557 7.0557 8.2120 8.2120 8.4081 8.4081 8.4281 8.4281 k = 0.4687 0.4778 0.1095 ( 17110 PWs) bands (ev): -15.5026 -15.5026 -15.4877 -15.4877 -5.4861 -5.4861 -5.0205 -5.0205 -4.0320 -4.0320 -3.9664 -3.9664 -2.7319 -2.7319 -2.6622 -2.6622 -2.4484 -2.4484 -2.4193 -2.4193 1.2481 1.2481 1.9563 1.9563 2.7645 2.7645 3.1179 3.1179 3.4857 3.4857 3.6971 3.6971 4.2070 4.2070 4.4768 4.4768 5.1897 5.1897 5.3655 5.3655 7.1405 7.1405 8.1802 8.1802 8.3602 8.3602 8.3787 8.3787 k = 0.4749 0.4707 0.0876 ( 17118 PWs) bands (ev): -15.5042 -15.5042 -15.4894 -15.4894 -5.4942 -5.4942 -5.0250 -5.0250 -4.0293 -4.0293 -3.9634 -3.9634 -2.7336 -2.7336 -2.6633 -2.6633 -2.4340 -2.4340 -2.4054 -2.4054 1.2338 1.2338 1.9618 1.9618 2.7612 2.7612 3.1260 3.1260 3.4998 3.4998 3.6973 3.6973 4.1879 4.1879 4.4724 4.4724 5.2339 5.2339 5.3701 5.3701 7.2162 7.2162 8.1514 8.1514 8.3199 8.3199 8.3375 8.3375 k = 0.4812 0.4636 0.0657 ( 17118 PWs) bands (ev): -15.5055 -15.5055 -15.4907 -15.4907 -5.5006 -5.5006 -5.0286 -5.0286 -4.0273 -4.0273 -3.9612 -3.9612 -2.7350 -2.7350 -2.6642 -2.6642 -2.4226 -2.4226 -2.3944 -2.3944 1.2226 1.2226 1.9663 1.9663 2.7585 2.7585 3.1320 3.1320 3.5090 3.5090 3.7002 3.7002 4.1717 4.1717 4.4690 4.4690 5.2720 5.2720 5.3722 5.3722 7.2798 7.2798 8.1273 8.1273 8.2874 8.2874 8.3050 8.3050 k = 0.4875 0.4566 0.0438 ( 17112 PWs) bands (ev): -15.5064 -15.5064 -15.4916 -15.4916 -5.5051 -5.5051 -5.0311 -5.0311 -4.0259 -4.0259 -3.9595 -3.9595 -2.7360 -2.7360 -2.6648 -2.6648 -2.4144 -2.4144 -2.3864 -2.3864 1.2146 1.2146 1.9696 1.9696 2.7565 2.7565 3.1361 3.1361 3.5144 3.5144 3.7041 3.7041 4.1592 4.1592 4.4666 4.4666 5.3027 5.3027 5.3716 5.3716 7.3280 7.3280 8.1093 8.1093 8.2635 8.2635 8.2816 8.2816 k = 0.4937 0.4495 0.0219 ( 17112 PWs) bands (ev): -15.5069 -15.5069 -15.4921 -15.4921 -5.5078 -5.5078 -5.0327 -5.0327 -4.0251 -4.0251 -3.9586 -3.9586 -2.7366 -2.7366 -2.6652 -2.6652 -2.4094 -2.4094 -2.3816 -2.3816 1.2098 1.2098 1.9716 1.9716 2.7552 2.7552 3.1385 3.1385 3.5170 3.5170 3.7074 3.7074 4.1513 4.1513 4.4651 4.4651 5.3243 5.3243 5.3684 5.3684 7.3581 7.3581 8.0982 8.0982 8.2488 8.2488 8.2675 8.2675 k = 0.5000 0.4424-0.0000 ( 17104 PWs) bands (ev): -15.5071 -15.5071 -15.4923 -15.4923 -5.5088 -5.5088 -5.0332 -5.0332 -4.0248 -4.0248 -3.9582 -3.9582 -2.7368 -2.7368 -2.6653 -2.6653 -2.4077 -2.4077 -2.3800 -2.3800 1.2081 1.2081 1.9722 1.9722 2.7548 2.7548 3.1392 3.1392 3.5178 3.5178 3.7086 3.7086 4.1486 4.1486 4.4647 4.4647 5.3331 5.3331 5.3660 5.3660 7.3684 7.3684 8.0944 8.0944 8.2438 8.2438 8.2627 8.2627 k = 0.5000 0.4424-0.0000 ( 17104 PWs) bands (ev): -15.5071 -15.5071 -15.4923 -15.4923 -5.5088 -5.5088 -5.0332 -5.0332 -4.0248 -4.0248 -3.9582 -3.9582 -2.7368 -2.7368 -2.6653 -2.6653 -2.4077 -2.4077 -2.3800 -2.3800 1.2081 1.2081 1.9722 1.9722 2.7548 2.7548 3.1392 3.1392 3.5178 3.5178 3.7086 3.7086 4.1486 4.1486 4.4647 4.4647 5.3331 5.3331 5.3660 5.3660 7.3684 7.3684 8.0944 8.0944 8.2438 8.2438 8.2627 8.2627 k = 0.4821 0.4266-0.0000 ( 17092 PWs) bands (ev): -15.5072 -15.5072 -15.4923 -15.4923 -5.5082 -5.5082 -5.0327 -5.0327 -4.0260 -4.0260 -3.9578 -3.9578 -2.7391 -2.7391 -2.6640 -2.6640 -2.4079 -2.4079 -2.3799 -2.3799 1.2089 1.2089 1.9722 1.9722 2.7551 2.7551 3.1406 3.1406 3.5182 3.5182 3.7087 3.7087 4.1493 4.1493 4.4648 4.4648 5.3332 5.3332 5.3660 5.3660 7.3682 7.3682 8.0881 8.0881 8.2399 8.2399 8.2613 8.2613 k = 0.4643 0.4108-0.0000 ( 17100 PWs) bands (ev): -15.5074 -15.5074 -15.4921 -15.4921 -5.5067 -5.5067 -5.0314 -5.0314 -4.0296 -4.0296 -3.9568 -3.9568 -2.7456 -2.7456 -2.6607 -2.6607 -2.4087 -2.4087 -2.3796 -2.3796 1.2113 1.2113 1.9723 1.9723 2.7559 2.7559 3.1448 3.1448 3.5192 3.5192 3.7092 3.7092 4.1514 4.1514 4.4654 4.4654 5.3336 5.3336 5.3663 5.3663 7.3674 7.3674 8.0691 8.0691 8.2294 8.2294 8.2573 8.2573 k = 0.4464 0.3950-0.0000 ( 17100 PWs) bands (ev): -15.5076 -15.5076 -15.4918 -15.4918 -5.5041 -5.5041 -5.0291 -5.0291 -4.0353 -4.0353 -3.9554 -3.9554 -2.7552 -2.7552 -2.6563 -2.6563 -2.4099 -2.4099 -2.3792 -2.3792 1.2152 1.2152 1.9723 1.9723 2.7573 2.7573 3.1516 3.1516 3.5209 3.5209 3.7099 3.7099 4.1549 4.1549 4.4663 4.4663 5.3342 5.3342 5.3667 5.3667 7.3662 7.3662 8.0379 8.0379 8.2140 8.2140 8.2518 8.2518 k = 0.4286 0.3792-0.0000 ( 17106 PWs) bands (ev): -15.5080 -15.5080 -15.4915 -15.4915 -5.5005 -5.5005 -5.0260 -5.0260 -4.0426 -4.0426 -3.9540 -3.9540 -2.7670 -2.7670 -2.6517 -2.6517 -2.4115 -2.4115 -2.3787 -2.3787 1.2207 1.2207 1.9724 1.9724 2.7592 2.7592 3.1611 3.1611 3.5232 3.5232 3.7110 3.7110 4.1597 4.1597 4.4675 4.4675 5.3350 5.3350 5.3674 5.3674 7.3645 7.3645 7.9963 7.9963 8.1947 8.1947 8.2461 8.2461 k = 0.4107 0.3634-0.0000 ( 17114 PWs) bands (ev): -15.5085 -15.5085 -15.4910 -15.4910 -5.4960 -5.4960 -5.0221 -5.0221 -4.0513 -4.0513 -3.9528 -3.9528 -2.7802 -2.7802 -2.6476 -2.6476 -2.4134 -2.4134 -2.3782 -2.3782 1.2275 1.2275 1.9725 1.9725 2.7616 2.7616 3.1731 3.1731 3.5262 3.5262 3.7123 3.7123 4.1657 4.1657 4.4691 4.4691 5.3359 5.3359 5.3684 5.3684 7.3624 7.3624 7.9472 7.9472 8.1716 8.1716 8.2411 8.2411 k = 0.3929 0.3476-0.0000 ( 17092 PWs) bands (ev): -15.5090 -15.5090 -15.4905 -15.4905 -5.4906 -5.4906 -5.0173 -5.0173 -4.0610 -4.0610 -3.9521 -3.9521 -2.7945 -2.7945 -2.6441 -2.6441 -2.4156 -2.4156 -2.3778 -2.3778 1.2357 1.2357 1.9726 1.9726 2.7646 2.7646 3.1876 3.1876 3.5298 3.5298 3.7140 3.7140 4.1729 4.1729 4.4710 4.4710 5.3367 5.3367 5.3698 5.3698 7.3598 7.3598 7.8936 7.8936 8.1449 8.1449 8.2369 8.2369 k = 0.3750 0.3318-0.0000 ( 17102 PWs) bands (ev): -15.5096 -15.5096 -15.4899 -15.4899 -5.4843 -5.4843 -5.0117 -5.0117 -4.0715 -4.0715 -3.9520 -3.9520 -2.8096 -2.8096 -2.6415 -2.6415 -2.4180 -2.4180 -2.3775 -2.3775 1.2451 1.2451 1.9727 1.9727 2.7679 2.7679 3.2044 3.2044 3.5340 3.5340 3.7160 3.7160 4.1812 4.1812 4.4732 4.4732 5.3374 5.3374 5.3717 5.3717 7.3568 7.3568 7.8379 7.8379 8.1148 8.1148 8.2333 8.2333 k = 0.3571 0.3160-0.0000 ( 17110 PWs) bands (ev): -15.5103 -15.5103 -15.4893 -15.4893 -5.4772 -5.4772 -5.0054 -5.0054 -4.0827 -4.0827 -3.9524 -3.9524 -2.8251 -2.8251 -2.6399 -2.6399 -2.4206 -2.4206 -2.3774 -2.3774 1.2556 1.2556 1.9729 1.9729 2.7717 2.7717 3.2234 3.2234 3.5388 3.5388 3.7182 3.7182 4.1905 4.1905 4.4758 4.4758 5.3379 5.3379 5.3740 5.3740 7.3534 7.3534 7.7821 7.7821 8.0818 8.0818 8.2299 8.2299 k = 0.3393 0.3002-0.0000 ( 17116 PWs) bands (ev): -15.5109 -15.5109 -15.4887 -15.4887 -5.4695 -5.4695 -4.9984 -4.9984 -4.0944 -4.0944 -3.9536 -3.9536 -2.8410 -2.8410 -2.6393 -2.6393 -2.4234 -2.4234 -2.3774 -2.3774 1.2671 1.2671 1.9731 1.9731 2.7758 2.7758 3.2443 3.2443 3.5440 3.5440 3.7208 3.7208 4.2006 4.2006 4.4786 4.4786 5.3382 5.3382 5.3768 5.3768 7.3497 7.3497 7.7275 7.7275 8.0464 8.0464 8.2264 8.2264 k = 0.3214 0.2844-0.0000 ( 17126 PWs) bands (ev): -15.5116 -15.5116 -15.4881 -15.4881 -5.4611 -5.4611 -4.9908 -4.9908 -4.1064 -4.1064 -3.9555 -3.9555 -2.8570 -2.8570 -2.6395 -2.6395 -2.4262 -2.4262 -2.3777 -2.3777 1.2794 1.2794 1.9734 1.9734 2.7803 2.7803 3.2669 3.2669 3.5497 3.5497 3.7235 3.7235 4.2115 4.2115 4.4816 4.4816 5.3383 5.3383 5.3800 5.3800 7.3456 7.3456 7.6753 7.6753 8.0088 8.0088 8.2224 8.2224 k = 0.3036 0.2686-0.0000 ( 17137 PWs) bands (ev): -15.5122 -15.5122 -15.4875 -15.4875 -5.4522 -5.4522 -4.9825 -4.9825 -4.1186 -4.1186 -3.9581 -3.9581 -2.8729 -2.8729 -2.6407 -2.6407 -2.4292 -2.4292 -2.3783 -2.3783 1.2922 1.2922 1.9737 1.9737 2.7850 2.7850 3.2911 3.2911 3.5558 3.5558 3.7266 3.7266 4.2231 4.2231 4.4848 4.4848 5.3382 5.3382 5.3836 5.3836 7.3412 7.3412 7.6261 7.6261 7.9695 7.9695 8.2176 8.2176 k = 0.2857 0.2528-0.0000 ( 17121 PWs) bands (ev): -15.5129 -15.5129 -15.4869 -15.4869 -5.4429 -5.4429 -4.9738 -4.9738 -4.1308 -4.1308 -3.9613 -3.9613 -2.8887 -2.8887 -2.6427 -2.6427 -2.4321 -2.4321 -2.3790 -2.3790 1.3056 1.3056 1.9740 1.9740 2.7899 2.7899 3.3166 3.3166 3.5623 3.5623 3.7298 3.7298 4.2352 4.2352 4.4882 4.4882 5.3380 5.3380 5.3875 5.3875 7.3365 7.3365 7.5806 7.5806 7.9288 7.9288 8.2117 8.2117 k = 0.2679 0.2370-0.0000 ( 17115 PWs) bands (ev): -15.5136 -15.5136 -15.4862 -15.4862 -5.4333 -5.4333 -4.9647 -4.9647 -4.1430 -4.1430 -3.9652 -3.9652 -2.9043 -2.9043 -2.6454 -2.6454 -2.4352 -2.4352 -2.3800 -2.3800 1.3192 1.3192 1.9744 1.9744 2.7949 2.7949 3.3430 3.3430 3.5691 3.5691 3.7331 3.7331 4.2477 4.2477 4.4917 4.4917 5.3376 5.3376 5.3915 5.3915 7.3314 7.3314 7.5392 7.5392 7.8872 7.8872 8.2043 8.2043 k = 0.2500 0.2212-0.0000 ( 17115 PWs) bands (ev): -15.5142 -15.5142 -15.4856 -15.4856 -5.4235 -5.4235 -4.9553 -4.9553 -4.1549 -4.1549 -3.9696 -3.9696 -2.9194 -2.9194 -2.6487 -2.6487 -2.4382 -2.4382 -2.3811 -2.3811 1.3328 1.3328 1.9749 1.9749 2.8001 2.8001 3.3701 3.3701 3.5762 3.5762 3.7365 3.7365 4.2606 4.2606 4.4951 4.4951 5.3372 5.3372 5.3956 5.3956 7.3260 7.3260 7.5023 7.5023 7.8450 7.8450 8.1951 8.1951 k = 0.2321 0.2054-0.0000 ( 17137 PWs) bands (ev): -15.5149 -15.5149 -15.4850 -15.4850 -5.4137 -5.4137 -4.9457 -4.9457 -4.1666 -4.1666 -3.9744 -3.9744 -2.9340 -2.9340 -2.6525 -2.6525 -2.4411 -2.4411 -2.3824 -2.3824 1.3464 1.3464 1.9754 1.9754 2.8052 2.8052 3.3976 3.3976 3.5836 3.5836 3.7400 3.7400 4.2738 4.2738 4.4985 4.4985 5.3367 5.3367 5.3997 5.3997 7.3202 7.3202 7.4698 7.4698 7.8027 7.8027 8.1837 8.1837 k = 0.2143 0.1896-0.0000 ( 17143 PWs) bands (ev): -15.5155 -15.5155 -15.4845 -15.4845 -5.4039 -5.4039 -4.9360 -4.9360 -4.1778 -4.1778 -3.9797 -3.9797 -2.9480 -2.9480 -2.6568 -2.6568 -2.4441 -2.4441 -2.3837 -2.3837 1.3597 1.3597 1.9759 1.9759 2.8102 2.8102 3.4249 3.4249 3.5913 3.5913 3.7433 3.7433 4.2872 4.2872 4.5017 4.5017 5.3362 5.3362 5.4037 5.4037 7.3139 7.3139 7.4420 7.4420 7.7609 7.7609 8.1699 8.1699 k = 0.1964 0.1738-0.0000 ( 17157 PWs) bands (ev): -15.5160 -15.5160 -15.4840 -15.4840 -5.3943 -5.3943 -4.9263 -4.9263 -4.1885 -4.1885 -3.9853 -3.9853 -2.9612 -2.9612 -2.6613 -2.6613 -2.4469 -2.4469 -2.3851 -2.3851 1.3725 1.3725 1.9764 1.9764 2.8151 2.8151 3.4517 3.4517 3.5994 3.5994 3.7465 3.7465 4.3006 4.3006 4.5047 4.5047 5.3357 5.3357 5.4075 5.4075 7.3072 7.3072 7.4186 7.4186 7.7201 7.7201 8.1536 8.1536 k = 0.1786 0.1580-0.0000 ( 17161 PWs) bands (ev): -15.5166 -15.5166 -15.4835 -15.4835 -5.3850 -5.3850 -4.9167 -4.9167 -4.1986 -4.1986 -3.9910 -3.9910 -2.9736 -2.9736 -2.6660 -2.6660 -2.4496 -2.4496 -2.3866 -2.3866 1.3846 1.3846 1.9770 1.9770 2.8198 2.8198 3.4774 3.4774 3.6080 3.6080 3.7494 3.7494 4.3141 4.3141 4.5073 4.5073 5.3353 5.3353 5.4111 5.4111 7.3002 7.3002 7.3993 7.3993 7.6812 7.6812 8.1348 8.1348 k = 0.1607 0.1422-0.0000 ( 17177 PWs) bands (ev): -15.5171 -15.5171 -15.4830 -15.4830 -5.3761 -5.3761 -4.9075 -4.9075 -4.2080 -4.2080 -3.9968 -3.9968 -2.9851 -2.9851 -2.6708 -2.6708 -2.4521 -2.4521 -2.3880 -2.3880 1.3960 1.3960 1.9776 1.9776 2.8243 2.8243 3.5014 3.5014 3.6172 3.6172 3.7519 3.7519 4.3274 4.3274 4.5094 4.5094 5.3349 5.3349 5.4144 5.4144 7.2929 7.2929 7.3835 7.3835 7.6449 7.6449 8.1137 8.1137 k = 0.1429 0.1264-0.0000 ( 17187 PWs) bands (ev): -15.5175 -15.5175 -15.4826 -15.4826 -5.3678 -5.3678 -4.8986 -4.8986 -4.2167 -4.2167 -4.0025 -4.0025 -2.9957 -2.9957 -2.6754 -2.6754 -2.4544 -2.4544 -2.3894 -2.3894 1.4066 1.4066 1.9781 1.9781 2.8284 2.8284 3.5231 3.5231 3.6273 3.6273 3.7539 3.7539 4.3405 4.3405 4.5111 4.5111 5.3346 5.3346 5.4173 5.4173 7.2856 7.2856 7.3704 7.3704 7.6122 7.6122 8.0909 8.0909 k = 0.1250 0.1106-0.0000 ( 17187 PWs) bands (ev): -15.5180 -15.5180 -15.4822 -15.4822 -5.3602 -5.3602 -4.8904 -4.8904 -4.2244 -4.2244 -4.0080 -4.0080 -3.0051 -3.0051 -2.6799 -2.6799 -2.4566 -2.4566 -2.3907 -2.3907 1.4161 1.4161 1.9787 1.9787 2.8322 2.8322 3.5418 3.5418 3.6386 3.6386 3.7553 3.7553 4.3532 4.3532 4.5121 4.5121 5.3344 5.3344 5.4199 5.4199 7.2784 7.2784 7.3595 7.3595 7.5840 7.5840 8.0669 8.0669 k = 0.1071 0.0948-0.0000 ( 17205 PWs) bands (ev): -15.5183 -15.5183 -15.4819 -15.4819 -5.3534 -5.3534 -4.8829 -4.8829 -4.2313 -4.2313 -4.0131 -4.0131 -3.0135 -3.0135 -2.6840 -2.6840 -2.4585 -2.4585 -2.3919 -2.3919 1.4245 1.4245 1.9792 1.9792 2.8356 2.8356 3.5572 3.5572 3.6509 3.6509 3.7560 3.7560 4.3653 4.3653 4.5126 4.5126 5.3341 5.3341 5.4221 5.4221 7.2713 7.2713 7.3499 7.3499 7.5610 7.5610 8.0427 8.0427 k = 0.0893 0.0790-0.0000 ( 17213 PWs) bands (ev): -15.5186 -15.5186 -15.4816 -15.4816 -5.3474 -5.3474 -4.8762 -4.8762 -4.2371 -4.2371 -4.0177 -4.0177 -3.0206 -3.0206 -2.6877 -2.6877 -2.4601 -2.4601 -2.3929 -2.3929 1.4317 1.4317 1.9796 1.9796 2.8385 2.8385 3.5693 3.5693 3.6639 3.6639 3.7557 3.7557 4.3766 4.3766 4.5125 4.5125 5.3340 5.3340 5.4239 5.4239 7.2645 7.2645 7.3416 7.3416 7.5434 7.5434 8.0193 8.0193 k = 0.0714 0.0632-0.0000 ( 17205 PWs) bands (ev): -15.5189 -15.5189 -15.4813 -15.4813 -5.3424 -5.3424 -4.8706 -4.8706 -4.2420 -4.2420 -4.0217 -4.0217 -3.0266 -3.0266 -2.6908 -2.6908 -2.4615 -2.4615 -2.3938 -2.3938 1.4377 1.4377 1.9800 1.9800 2.8409 2.8409 3.5784 3.5784 3.6770 3.6770 3.7546 3.7546 4.3867 4.3867 4.5119 4.5119 5.3339 5.3339 5.4254 5.4254 7.2580 7.2580 7.3343 7.3343 7.5310 7.5310 7.9978 7.9978 k = 0.0536 0.0474-0.0000 ( 17215 PWs) bands (ev): -15.5191 -15.5191 -15.4812 -15.4812 -5.3384 -5.3384 -4.8660 -4.8660 -4.2458 -4.2458 -4.0249 -4.0249 -3.0312 -3.0312 -2.6934 -2.6934 -2.4626 -2.4626 -2.3945 -2.3945 1.4425 1.4425 1.9803 1.9803 2.8428 2.8428 3.5849 3.5849 3.6892 3.6892 3.7525 3.7525 4.3953 4.3953 4.5109 4.5109 5.3338 5.3338 5.4265 5.4265 7.2522 7.2522 7.3285 7.3285 7.5231 7.5231 7.9794 7.9794 k = 0.0357 0.0316-0.0000 ( 17223 PWs) bands (ev): -15.5192 -15.5192 -15.4810 -15.4810 -5.3356 -5.3356 -4.8627 -4.8627 -4.2485 -4.2485 -4.0273 -4.0273 -3.0346 -3.0346 -2.6953 -2.6953 -2.4634 -2.4634 -2.3950 -2.3950 1.4459 1.4459 1.9806 1.9806 2.8442 2.8442 3.5892 3.5892 3.6998 3.6998 3.7497 3.7497 4.4019 4.4019 4.5099 4.5099 5.3337 5.3337 5.4273 5.4273 7.2474 7.2474 7.3242 7.3242 7.5186 7.5186 7.9652 7.9652 k = 0.0179 0.0158-0.0000 ( 17221 PWs) bands (ev): -15.5193 -15.5193 -15.4809 -15.4809 -5.3338 -5.3338 -4.8607 -4.8607 -4.2502 -4.2502 -4.0288 -4.0288 -3.0366 -3.0366 -2.6964 -2.6964 -2.4638 -2.4638 -2.3953 -2.3953 1.4479 1.4479 1.9807 1.9807 2.8451 2.8451 3.5917 3.5917 3.7073 3.7073 3.7471 3.7471 4.4061 4.4061 4.5092 4.5092 5.3337 5.3337 5.4277 5.4277 7.2443 7.2443 7.3216 7.3216 7.5164 7.5164 7.9563 7.9563 k = 0.0000 0.0000 0.0000 ( 17225 PWs) bands (ev): -15.5194 -15.5194 -15.4809 -15.4809 -5.3332 -5.3332 -4.8600 -4.8600 -4.2507 -4.2507 -4.0293 -4.0293 -3.0372 -3.0372 -2.6968 -2.6968 -2.4640 -2.4640 -2.3954 -2.3954 1.4486 1.4486 1.9808 1.9808 2.8453 2.8453 3.5926 3.5926 3.7102 3.7102 3.7459 3.7459 4.4075 4.4075 4.5089 4.5089 5.3337 5.3337 5.4279 5.4279 7.2432 7.2432 7.3208 7.3208 7.5157 7.5157 7.9532 7.9532 k = 0.0000 0.0000 0.0000 ( 17225 PWs) bands (ev): -15.5194 -15.5194 -15.4809 -15.4809 -5.3332 -5.3332 -4.8600 -4.8600 -4.2507 -4.2507 -4.0293 -4.0293 -3.0372 -3.0372 -2.6968 -2.6968 -2.4640 -2.4640 -2.3954 -2.3954 1.4486 1.4486 1.9808 1.9808 2.8453 2.8453 3.5926 3.5926 3.7102 3.7102 3.7459 3.7459 4.4075 4.4075 4.5089 4.5089 5.3337 5.3337 5.4279 5.4279 7.2432 7.2432 7.3208 7.3208 7.5157 7.5157 7.9532 7.9532 k = 0.0143-0.0162 0.0093 ( 17211 PWs) bands (ev): -15.5193 -15.5193 -15.4809 -15.4809 -5.3338 -5.3338 -4.8603 -4.8603 -4.2499 -4.2499 -4.0294 -4.0294 -3.0365 -3.0365 -2.6969 -2.6969 -2.4638 -2.4638 -2.3955 -2.3955 1.4488 1.4488 1.9808 1.9808 2.8447 2.8447 3.5927 3.5927 3.7102 3.7102 3.7453 3.7453 4.4033 4.4033 4.5102 4.5102 5.3329 5.3329 5.4262 5.4262 7.2473 7.2473 7.3230 7.3230 7.5189 7.5189 7.9537 7.9537 k = 0.0286-0.0323 0.0186 ( 17223 PWs) bands (ev): -15.5193 -15.5193 -15.4810 -15.4810 -5.3354 -5.3354 -4.8612 -4.8612 -4.2474 -4.2474 -4.0298 -4.0298 -3.0342 -3.0342 -2.6973 -2.6973 -2.4633 -2.4633 -2.3957 -2.3957 1.4495 1.4495 1.9811 1.9811 2.8428 2.8428 3.5930 3.5930 3.7101 3.7101 3.7436 3.7436 4.3911 4.3911 4.5134 4.5134 5.3304 5.3304 5.4212 5.4212 7.2583 7.2583 7.3310 7.3310 7.5283 7.5283 7.9550 7.9550 k = 0.0429-0.0485 0.0280 ( 17211 PWs) bands (ev): -15.5191 -15.5191 -15.4811 -15.4811 -5.3380 -5.3380 -4.8626 -4.8626 -4.2433 -4.2433 -4.0303 -4.0303 -3.0305 -3.0305 -2.6980 -2.6980 -2.4625 -2.4625 -2.3961 -2.3961 1.4507 1.4507 1.9815 1.9815 2.8398 2.8398 3.5936 3.5936 3.7097 3.7097 3.7410 3.7410 4.3726 4.3726 4.5174 4.5174 5.3266 5.3266 5.4130 5.4130 7.2714 7.2714 7.3486 7.3486 7.5438 7.5438 7.9574 7.9574 k = 0.0572-0.0647 0.0373 ( 17197 PWs) bands (ev): -15.5190 -15.5190 -15.4813 -15.4813 -5.3416 -5.3416 -4.8646 -4.8646 -4.2377 -4.2377 -4.0311 -4.0311 -3.0254 -3.0254 -2.6990 -2.6990 -2.4613 -2.4613 -2.3967 -2.3967 1.4521 1.4521 1.9820 1.9820 2.8356 2.8356 3.5944 3.5944 3.7088 3.7088 3.7375 3.7375 4.3491 4.3491 4.5214 4.5214 5.3218 5.3218 5.4019 5.4019 7.2820 7.2820 7.3798 7.3798 7.5649 7.5649 7.9610 7.9610 k = 0.0715-0.0809 0.0466 ( 17221 PWs) bands (ev): -15.5188 -15.5188 -15.4815 -15.4815 -5.3462 -5.3462 -4.8671 -4.8671 -4.2307 -4.2307 -4.0321 -4.0321 -3.0188 -3.0188 -2.7001 -2.7001 -2.4599 -2.4599 -2.3973 -2.3973 1.4537 1.4537 1.9826 1.9826 2.8304 2.8304 3.5954 3.5954 3.7067 3.7067 3.7338 3.7338 4.3219 4.3219 4.5249 4.5249 5.3164 5.3164 5.3884 5.3884 7.2890 7.2890 7.4240 7.4240 7.5911 7.5911 7.9661 7.9661 k = 0.0859-0.0970 0.0559 ( 17209 PWs) bands (ev): -15.5185 -15.5185 -15.4817 -15.4817 -5.3516 -5.3516 -4.8700 -4.8700 -4.2224 -4.2224 -4.0331 -4.0331 -3.0110 -3.0110 -2.7014 -2.7014 -2.4581 -2.4581 -2.3981 -2.3981 1.4553 1.4553 1.9834 1.9834 2.8243 2.8243 3.5965 3.5965 3.7024 3.7024 3.7306 3.7306 4.2919 4.2919 4.5277 4.5277 5.3106 5.3106 5.3729 5.3729 7.2941 7.2941 7.4780 7.4780 7.6220 7.6220 7.9731 7.9731 k = 0.1002-0.1132 0.0653 ( 17197 PWs) bands (ev): -15.5182 -15.5182 -15.4820 -15.4820 -5.3578 -5.3578 -4.8734 -4.8734 -4.2131 -4.2131 -4.0343 -4.0343 -3.0019 -3.0019 -2.7029 -2.7029 -2.4561 -2.4561 -2.3989 -2.3989 1.4567 1.4567 1.9842 1.9842 2.8174 2.8174 3.5978 3.5978 3.6953 3.6953 3.7286 3.7286 4.2600 4.2600 4.5299 4.5299 5.3048 5.3048 5.3561 5.3561 7.2983 7.2983 7.5387 7.5387 7.6571 7.6571 7.9824 7.9824 k = 0.1145-0.1294 0.0746 ( 17205 PWs) bands (ev): -15.5178 -15.5178 -15.4823 -15.4823 -5.3646 -5.3646 -4.8772 -4.8772 -4.2027 -4.2027 -4.0355 -4.0355 -2.9917 -2.9917 -2.7044 -2.7044 -2.4538 -2.4538 -2.3998 -2.3998 1.4576 1.4576 1.9850 1.9850 2.8100 2.8100 3.5991 3.5991 3.6853 3.6853 3.7279 3.7279 4.2271 4.2271 4.5315 4.5315 5.2989 5.2989 5.3390 5.3390 7.3022 7.3022 7.6032 7.6032 7.6959 7.6959 7.9947 7.9947 k = 0.1288-0.1455 0.0839 ( 17199 PWs) bands (ev): -15.5175 -15.5175 -15.4827 -15.4827 -5.3721 -5.3721 -4.8813 -4.8813 -4.1916 -4.1916 -4.0368 -4.0368 -2.9805 -2.9805 -2.7060 -2.7060 -2.4512 -2.4512 -2.4006 -2.4006 1.4580 1.4580 1.9858 1.9858 2.8021 2.8021 3.6002 3.6002 3.6730 3.6730 3.7279 3.7279 4.1938 4.1938 4.5325 4.5325 5.2925 5.2925 5.3227 5.3227 7.3059 7.3059 7.6685 7.6685 7.7379 7.7379 8.0106 8.0106 k = 0.1431-0.1617 0.0932 ( 17199 PWs) bands (ev): -15.5171 -15.5171 -15.4831 -15.4831 -5.3799 -5.3799 -4.8859 -4.8859 -4.1799 -4.1799 -4.0379 -4.0379 -2.9683 -2.9683 -2.7076 -2.7076 -2.4484 -2.4484 -2.4015 -2.4015 1.4575 1.4575 1.9865 1.9865 2.7939 2.7939 3.6009 3.6009 3.6590 3.6590 3.7283 3.7283 4.1609 4.1609 4.5330 4.5330 5.2840 5.2840 5.3096 5.3096 7.3096 7.3096 7.7317 7.7317 7.7825 7.7825 8.0312 8.0312 k = 0.1574-0.1779 0.1026 ( 17189 PWs) bands (ev): -15.5166 -15.5166 -15.4835 -15.4835 -5.3882 -5.3882 -4.8908 -4.8908 -4.1677 -4.1677 -4.0389 -4.0389 -2.9554 -2.9554 -2.7090 -2.7090 -2.4454 -2.4454 -2.4023 -2.4023 1.4560 1.4560 1.9872 1.9872 2.7855 2.7855 3.6003 3.6003 3.6443 3.6443 3.7289 3.7289 4.1290 4.1290 4.5331 4.5331 5.2724 5.2724 5.3013 5.3013 7.3133 7.3133 7.7903 7.7903 7.8286 7.8286 8.0571 8.0571 k = 0.1717-0.1941 0.1119 ( 17189 PWs) bands (ev): -15.5161 -15.5161 -15.4839 -15.4839 -5.3966 -5.3966 -4.8961 -4.8961 -4.1553 -4.1553 -4.0397 -4.0397 -2.9419 -2.9419 -2.7104 -2.7104 -2.4423 -2.4423 -2.4030 -2.4030 1.4532 1.4532 1.9877 1.9877 2.7772 2.7772 3.5966 3.5966 3.6313 3.6313 3.7294 3.7294 4.0984 4.0984 4.5329 4.5329 5.2592 5.2592 5.2970 5.2970 7.3169 7.3169 7.8438 7.8438 7.8738 7.8738 8.0885 8.0885 k = 0.1860-0.2102 0.1212 ( 17189 PWs) bands (ev): -15.5156 -15.5156 -15.4844 -15.4844 -5.4052 -5.4052 -4.9018 -4.9018 -4.1427 -4.1427 -4.0403 -4.0403 -2.9278 -2.9278 -2.7115 -2.7115 -2.4390 -2.4390 -2.4036 -2.4036 1.4490 1.4490 1.9880 1.9880 2.7691 2.7691 3.5867 3.5867 3.6231 3.6231 3.7297 3.7297 4.0699 4.0699 4.5323 4.5323 5.2464 5.2464 5.2949 5.2949 7.3206 7.3206 7.8925 7.8925 7.9166 7.9166 8.1239 8.1239 k = 0.2003-0.2264 0.1305 ( 17185 PWs) bands (ev): -15.5151 -15.5151 -15.4849 -15.4849 -5.4138 -5.4138 -4.9078 -4.9078 -4.1301 -4.1301 -4.0405 -4.0405 -2.9135 -2.9135 -2.7124 -2.7124 -2.4356 -2.4356 -2.4041 -2.4041 1.4433 1.4433 1.9881 1.9881 2.7612 2.7612 3.5710 3.5710 3.6195 3.6195 3.7297 3.7297 4.0437 4.0437 4.5314 4.5314 5.2353 5.2353 5.2942 5.2942 7.3241 7.3241 7.9352 7.9352 7.9586 7.9586 8.1605 8.1605 k = 0.2146-0.2426 0.1399 ( 17179 PWs) bands (ev): -15.5146 -15.5146 -15.4854 -15.4854 -5.4224 -5.4224 -4.9141 -4.9141 -4.1178 -4.1178 -4.0404 -4.0404 -2.8989 -2.8989 -2.7130 -2.7130 -2.4322 -2.4322 -2.4045 -2.4045 1.4360 1.4360 1.9880 1.9880 2.7538 2.7538 3.5525 3.5525 3.6176 3.6176 3.7290 3.7290 4.0206 4.0206 4.5302 4.5302 5.2264 5.2264 5.2947 5.2947 7.3276 7.3276 7.9702 7.9702 8.0026 8.0026 8.1955 8.1955 k = 0.2289-0.2588 0.1492 ( 17183 PWs) bands (ev): -15.5140 -15.5140 -15.4859 -15.4859 -5.4308 -5.4308 -4.9209 -4.9209 -4.1058 -4.1058 -4.0397 -4.0397 -2.8843 -2.8843 -2.7132 -2.7132 -2.4288 -2.4288 -2.4046 -2.4046 1.4271 1.4271 1.9877 1.9877 2.7469 2.7469 3.5327 3.5327 3.6156 3.6156 3.7277 3.7277 4.0012 4.0012 4.5287 4.5287 5.2198 5.2198 5.2961 5.2961 7.3309 7.3309 7.9999 7.9999 8.0474 8.0474 8.2267 8.2267 k = 0.2433-0.2749 0.1585 ( 17191 PWs) bands (ev): -15.5135 -15.5135 -15.4864 -15.4864 -5.4389 -5.4389 -4.9279 -4.9279 -4.0943 -4.0943 -4.0384 -4.0384 -2.8698 -2.8698 -2.7130 -2.7130 -2.4255 -2.4255 -2.4045 -2.4045 1.4167 1.4167 1.9872 1.9872 2.7406 2.7406 3.5123 3.5123 3.6126 3.6126 3.7256 3.7256 3.9861 3.9861 4.5270 4.5270 5.2158 5.2158 5.2984 5.2984 7.3342 7.3342 8.0263 8.0263 8.0914 8.0914 8.2538 8.2538 k = 0.2576-0.2911 0.1678 ( 17187 PWs) bands (ev): -15.5129 -15.5129 -15.4869 -15.4869 -5.4467 -5.4467 -4.9352 -4.9352 -4.0836 -4.0836 -4.0363 -4.0363 -2.8556 -2.8556 -2.7123 -2.7123 -2.4224 -2.4224 -2.4041 -2.4041 1.4048 1.4048 1.9864 1.9864 2.7350 2.7350 3.4916 3.4916 3.6082 3.6082 3.7229 3.7229 3.9758 3.9758 4.5250 4.5250 5.2143 5.2143 5.3013 5.3013 7.3373 7.3373 8.0500 8.0500 8.1336 8.1336 8.2772 8.2772 k = 0.2719-0.3073 0.1772 ( 17199 PWs) bands (ev): -15.5124 -15.5124 -15.4874 -15.4874 -5.4542 -5.4542 -4.9428 -4.9428 -4.0740 -4.0740 -4.0332 -4.0332 -2.8419 -2.8419 -2.7111 -2.7111 -2.4196 -2.4196 -2.4034 -2.4034 1.3917 1.3917 1.9855 1.9855 2.7302 2.7302 3.4703 3.4703 3.6019 3.6019 3.7199 3.7199 3.9705 3.9705 4.5228 4.5228 5.2152 5.2152 5.3050 5.3050 7.3402 7.3402 8.0712 8.0712 8.1734 8.1734 8.2978 8.2978 k = 0.2862-0.3234 0.1865 ( 17201 PWs) bands (ev): -15.5119 -15.5119 -15.4879 -15.4879 -5.4612 -5.4612 -4.9506 -4.9506 -4.0657 -4.0657 -4.0290 -4.0290 -2.8287 -2.8287 -2.7094 -2.7094 -2.4172 -2.4172 -2.4023 -2.4023 1.3774 1.3774 1.9845 1.9845 2.7262 2.7262 3.4484 3.4484 3.5941 3.5941 3.7169 3.7169 3.9701 3.9701 4.5202 4.5202 5.2183 5.2183 5.3092 5.3092 7.3431 7.3431 8.0894 8.0894 8.2100 8.2100 8.3166 8.3166 k = 0.3005-0.3396 0.1958 ( 17187 PWs) bands (ev): -15.5113 -15.5113 -15.4884 -15.4884 -5.4678 -5.4678 -4.9585 -4.9585 -4.0589 -4.0589 -4.0235 -4.0235 -2.8162 -2.8162 -2.7072 -2.7072 -2.4152 -2.4152 -2.4007 -2.4007 1.3622 1.3622 1.9834 1.9834 2.7232 2.7232 3.4255 3.4255 3.5849 3.5849 3.7144 3.7144 3.9742 3.9742 4.5173 4.5173 5.2234 5.2234 5.3139 5.3139 7.3458 7.3458 8.1044 8.1044 8.2428 8.2428 8.3339 8.3339 k = 0.3148-0.3558 0.2051 ( 17171 PWs) bands (ev): -15.5108 -15.5108 -15.4889 -15.4889 -5.4739 -5.4739 -4.9664 -4.9664 -4.0535 -4.0535 -4.0170 -4.0170 -2.8046 -2.8046 -2.7045 -2.7045 -2.4136 -2.4136 -2.3988 -2.3988 1.3465 1.3465 1.9822 1.9822 2.7212 2.7212 3.4015 3.4015 3.5752 3.5752 3.7124 3.7124 3.9822 3.9822 4.5141 4.5141 5.2302 5.2302 5.3189 5.3189 7.3484 7.3484 8.1161 8.1161 8.2710 8.2710 8.3493 8.3493 k = 0.3291-0.3720 0.2144 ( 17169 PWs) bands (ev): -15.5103 -15.5103 -15.4894 -15.4894 -5.4795 -5.4795 -4.9744 -4.9744 -4.0490 -4.0490 -4.0100 -4.0100 -2.7939 -2.7939 -2.7013 -2.7013 -2.4125 -2.4125 -2.3966 -2.3966 1.3304 1.3304 1.9810 1.9810 2.7203 2.7203 3.3762 3.3762 3.5656 3.5656 3.7109 3.7109 3.9935 3.9935 4.5106 4.5106 5.2384 5.2384 5.3242 5.3242 7.3509 7.3509 8.1246 8.1246 8.2938 8.2938 8.3616 8.3616 k = 0.3434-0.3881 0.2238 ( 17169 PWs) bands (ev): -15.5098 -15.5098 -15.4898 -15.4898 -5.4845 -5.4845 -4.9822 -4.9822 -4.0452 -4.0452 -4.0027 -4.0027 -2.7841 -2.7841 -2.6977 -2.6977 -2.4115 -2.4115 -2.3943 -2.3943 1.3143 1.3143 1.9798 1.9798 2.7204 2.7204 3.3499 3.3499 3.5566 3.5566 3.7099 3.7099 4.0073 4.0073 4.5067 4.5067 5.2478 5.2478 5.3297 5.3297 7.3533 7.3533 8.1301 8.1301 8.3105 8.3105 8.3688 8.3688 k = 0.3577-0.4043 0.2331 ( 17155 PWs) bands (ev): -15.5094 -15.5094 -15.4902 -15.4902 -5.4891 -5.4891 -4.9899 -4.9899 -4.0419 -4.0419 -3.9956 -3.9956 -2.7754 -2.7754 -2.6937 -2.6937 -2.4108 -2.4108 -2.3920 -2.3920 1.2984 1.2984 1.9786 1.9786 2.7215 2.7215 3.3229 3.3229 3.5486 3.5486 3.7093 3.7093 4.0229 4.0229 4.5025 4.5025 5.2579 5.2579 5.3352 5.3352 7.3556 7.3556 8.1330 8.1330 8.3208 8.3208 8.3691 8.3691 k = 0.3720-0.4205 0.2424 ( 17135 PWs) bands (ev): -15.5090 -15.5090 -15.4906 -15.4906 -5.4931 -5.4931 -4.9972 -4.9972 -4.0389 -4.0389 -3.9889 -3.9889 -2.7677 -2.7677 -2.6896 -2.6896 -2.4102 -2.4102 -2.3898 -2.3898 1.2832 1.2832 1.9775 1.9775 2.7236 2.7236 3.2957 3.2957 3.5416 3.5416 3.7089 3.7089 4.0398 4.0398 4.4980 4.4980 5.2685 5.2685 5.3406 5.3406 7.3577 7.3577 8.1336 8.1336 8.3246 8.3246 8.3619 8.3619 k = 0.3864-0.4366 0.2517 ( 17129 PWs) bands (ev): -15.5086 -15.5086 -15.4909 -15.4909 -5.4966 -5.4966 -5.0041 -5.0041 -4.0362 -4.0362 -3.9827 -3.9827 -2.7609 -2.7609 -2.6853 -2.6853 -2.4097 -2.4097 -2.3878 -2.3878 1.2687 1.2687 1.9765 1.9765 2.7267 2.7267 3.2687 3.2687 3.5358 3.5358 3.7086 3.7086 4.0574 4.0574 4.4932 4.4932 5.2792 5.2792 5.3457 5.3457 7.3597 7.3597 8.1323 8.1323 8.3223 8.3223 8.3482 8.3482 k = 0.4007-0.4528 0.2611 ( 17119 PWs) bands (ev): -15.5083 -15.5083 -15.4913 -15.4913 -5.4996 -5.4996 -5.0105 -5.0105 -4.0337 -4.0337 -3.9771 -3.9771 -2.7551 -2.7551 -2.6812 -2.6812 -2.4092 -2.4092 -2.3860 -2.3860 1.2554 1.2554 1.9755 1.9755 2.7305 2.7305 3.2427 3.2427 3.5310 3.5310 3.7085 3.7085 4.0749 4.0749 4.4883 4.4883 5.2898 5.2898 5.3504 5.3504 7.3616 7.3616 8.1292 8.1292 8.3147 8.3147 8.3308 8.3308 k = 0.4150-0.4690 0.2704 ( 17111 PWs) bands (ev): -15.5080 -15.5080 -15.4915 -15.4915 -5.5021 -5.5021 -5.0162 -5.0162 -4.0314 -4.0314 -3.9721 -3.9721 -2.7501 -2.7501 -2.6773 -2.6773 -2.4088 -2.4088 -2.3844 -2.3844 1.2434 1.2434 1.9747 1.9747 2.7349 2.7349 3.2182 3.2182 3.5271 3.5271 3.7085 3.7085 4.0919 4.0919 4.4833 4.4833 5.2998 5.2998 5.3547 5.3547 7.3633 7.3633 8.1246 8.1246 8.3020 8.3020 8.3139 8.3139 k = 0.4150-0.4690 0.2704 ( 17111 PWs) bands (ev): -15.5080 -15.5080 -15.4915 -15.4915 -5.5021 -5.5021 -5.0162 -5.0162 -4.0314 -4.0314 -3.9721 -3.9721 -2.7501 -2.7501 -2.6773 -2.6773 -2.4088 -2.4088 -2.3844 -2.3844 1.2434 1.2434 1.9747 1.9747 2.7349 2.7349 3.2182 3.2182 3.5271 3.5271 3.7085 3.7085 4.0919 4.0919 4.4833 4.4833 5.2998 5.2998 5.3547 5.3547 7.3633 7.3633 8.1246 8.1246 8.3020 8.3020 8.3139 8.3139 k = 0.4197-0.4463 0.2644 ( 17124 PWs) bands (ev): -15.5082 -15.5082 -15.4913 -15.4913 -5.5003 -5.5003 -5.0124 -5.0124 -4.0335 -4.0335 -3.9750 -3.9750 -2.7543 -2.7543 -2.6792 -2.6792 -2.4091 -2.4091 -2.3854 -2.3854 1.2513 1.2513 1.9752 1.9752 2.7322 2.7322 3.2342 3.2342 3.5297 3.5297 3.7086 3.7086 4.0816 4.0816 4.4865 4.4865 5.2935 5.2935 5.3520 5.3520 7.3621 7.3621 8.1252 8.1252 8.3042 8.3042 8.3289 8.3289 k = 0.4244-0.4237 0.2584 ( 17128 PWs) bands (ev): -15.5085 -15.5085 -15.4911 -15.4911 -5.4977 -5.4977 -5.0079 -5.0079 -4.0370 -4.0370 -3.9777 -3.9777 -2.7607 -2.7607 -2.6803 -2.6803 -2.4096 -2.4096 -2.3864 -2.3864 1.2606 1.2606 1.9758 1.9758 2.7300 2.7300 3.2517 3.2517 3.5331 3.5331 3.7090 3.7090 4.0720 4.0720 4.4897 4.4897 5.2872 5.2872 5.3490 5.3490 7.3607 7.3607 8.1206 8.1206 8.2983 8.2983 8.3488 8.3488 k = 0.4291-0.4010 0.2525 ( 17120 PWs) bands (ev): -15.5088 -15.5088 -15.4908 -15.4908 -5.4945 -5.4945 -5.0027 -5.0027 -4.0416 -4.0416 -3.9805 -3.9805 -2.7688 -2.7688 -2.6810 -2.6810 -2.4102 -2.4102 -2.3874 -2.3874 1.2711 1.2711 1.9764 1.9764 2.7284 2.7284 3.2700 3.2700 3.5373 3.5373 3.7096 3.7096 4.0635 4.0635 4.4928 4.4928 5.2809 5.2809 5.3457 5.3457 7.3590 7.3590 8.1112 8.1112 8.2899 8.2899 8.3708 8.3708 k = 0.4339-0.3784 0.2465 ( 17138 PWs) bands (ev): -15.5091 -15.5091 -15.4904 -15.4904 -5.4908 -5.4908 -4.9971 -4.9971 -4.0471 -4.0471 -3.9834 -3.9834 -2.7779 -2.7779 -2.6818 -2.6818 -2.4107 -2.4107 -2.3885 -2.3885 1.2825 1.2825 1.9772 1.9772 2.7273 2.7273 3.2888 3.2888 3.5421 3.5421 3.7103 3.7103 4.0562 4.0562 4.4956 4.4956 5.2745 5.2745 5.3422 5.3422 7.3571 7.3571 8.0979 8.0979 8.2813 8.2813 8.3943 8.3943 k = 0.4386-0.3558 0.2405 ( 17139 PWs) bands (ev): -15.5095 -15.5095 -15.4901 -15.4901 -5.4865 -5.4865 -4.9911 -4.9911 -4.0532 -4.0532 -3.9865 -3.9865 -2.7876 -2.7876 -2.6828 -2.6828 -2.4113 -2.4113 -2.3897 -2.3897 1.2947 1.2947 1.9779 1.9779 2.7268 2.7268 3.3073 3.3073 3.5477 3.5477 3.7112 3.7112 4.0506 4.0506 4.4980 4.4980 5.2682 5.2682 5.3384 5.3384 7.3551 7.3551 8.0817 8.0817 8.2734 8.2734 8.4194 8.4194 k = 0.4433-0.3331 0.2346 ( 17136 PWs) bands (ev): -15.5099 -15.5099 -15.4897 -15.4897 -5.4818 -5.4818 -4.9849 -4.9849 -4.0596 -4.0596 -3.9899 -3.9899 -2.7976 -2.7976 -2.6842 -2.6842 -2.4118 -2.4118 -2.3909 -2.3909 1.3075 1.3075 1.9787 1.9787 2.7268 2.7268 3.3252 3.3252 3.5537 3.5537 3.7121 3.7121 4.0470 4.0470 4.5000 4.5000 5.2620 5.2620 5.3344 5.3344 7.3530 7.3530 8.0641 8.0641 8.2663 8.2663 8.4458 8.4458 k = 0.4480-0.3105 0.2286 ( 17141 PWs) bands (ev): -15.5103 -15.5103 -15.4893 -15.4893 -5.4768 -5.4768 -4.9785 -4.9785 -4.0662 -4.0662 -3.9937 -3.9937 -2.8074 -2.8074 -2.6860 -2.6860 -2.4122 -2.4122 -2.3920 -2.3920 1.3205 1.3205 1.9796 1.9796 2.7273 2.7273 3.3419 3.3419 3.5599 3.5599 3.7127 3.7127 4.0458 4.0458 4.5013 4.5013 5.2560 5.2560 5.3303 5.3303 7.3510 7.3510 8.0462 8.0462 8.2594 8.2594 8.4730 8.4730 k = 0.4528-0.2878 0.2226 ( 17148 PWs) bands (ev): -15.5107 -15.5107 -15.4890 -15.4890 -5.4717 -5.4717 -4.9721 -4.9721 -4.0726 -4.0726 -3.9979 -3.9979 -2.8171 -2.8171 -2.6881 -2.6881 -2.4125 -2.4125 -2.3932 -2.3932 1.3335 1.3335 1.9804 1.9804 2.7282 2.7282 3.3574 3.3574 3.5662 3.5662 3.7128 3.7128 4.0473 4.0473 4.5021 4.5021 5.2501 5.2501 5.3261 5.3261 7.3489 7.3489 8.0291 8.0291 8.2522 8.2522 8.4985 8.4985 k = 0.4575-0.2652 0.2166 ( 17139 PWs) bands (ev): -15.5111 -15.5111 -15.4886 -15.4886 -5.4664 -5.4664 -4.9658 -4.9658 -4.0787 -4.0787 -4.0023 -4.0023 -2.8262 -2.8262 -2.6906 -2.6906 -2.4128 -2.4128 -2.3943 -2.3943 1.3463 1.3463 1.9813 1.9813 2.7295 2.7295 3.3714 3.3714 3.5721 3.5721 3.7123 3.7123 4.0515 4.0515 4.5022 4.5022 5.2444 5.2444 5.3220 5.3220 7.3469 7.3469 8.0138 8.0138 8.2443 8.2443 8.5136 8.5136 k = 0.4622-0.2425 0.2107 ( 17133 PWs) bands (ev): -15.5115 -15.5115 -15.4883 -15.4883 -5.4613 -5.4613 -4.9598 -4.9598 -4.0844 -4.0844 -4.0070 -4.0070 -2.8347 -2.8347 -2.6932 -2.6932 -2.4130 -2.4130 -2.3954 -2.3954 1.3586 1.3586 1.9822 1.9822 2.7310 2.7310 3.3840 3.3840 3.5776 3.5776 3.7109 3.7109 4.0584 4.0584 4.5016 4.5016 5.2390 5.2390 5.3180 5.3180 7.3450 7.3450 8.0007 8.0007 8.2354 8.2354 8.5083 8.5083 k = 0.4669-0.2199 0.2047 ( 17150 PWs) bands (ev): -15.5118 -15.5118 -15.4880 -15.4880 -5.4563 -5.4563 -4.9541 -4.9541 -4.0896 -4.0896 -4.0117 -4.0117 -2.8425 -2.8425 -2.6959 -2.6959 -2.4131 -2.4131 -2.3963 -2.3963 1.3701 1.3701 1.9830 1.9830 2.7327 2.7327 3.3951 3.3951 3.5824 3.5824 3.7086 3.7086 4.0675 4.0675 4.5003 4.5003 5.2340 5.2340 5.3142 5.3142 7.3433 7.3433 7.9901 7.9901 8.2255 8.2255 8.4911 8.4911 k = 0.4717-0.1972 0.1987 ( 17152 PWs) bands (ev): -15.5121 -15.5121 -15.4877 -15.4877 -5.4517 -5.4517 -4.9490 -4.9490 -4.0941 -4.0941 -4.0163 -4.0163 -2.8494 -2.8494 -2.6986 -2.6986 -2.4132 -2.4132 -2.3972 -2.3972 1.3806 1.3806 1.9838 1.9838 2.7345 2.7345 3.4048 3.4048 3.5866 3.5866 3.7055 3.7055 4.0783 4.0783 4.4985 4.4985 5.2294 5.2294 5.3107 5.3107 7.3418 7.3418 7.9821 7.9821 8.2146 8.2146 8.4718 8.4718 k = 0.4764-0.1746 0.1928 ( 17160 PWs) bands (ev): -15.5124 -15.5124 -15.4875 -15.4875 -5.4475 -5.4475 -4.9445 -4.9445 -4.0978 -4.0978 -4.0207 -4.0207 -2.8553 -2.8553 -2.7011 -2.7011 -2.4133 -2.4133 -2.3979 -2.3979 1.3899 1.3899 1.9845 1.9845 2.7363 2.7363 3.4132 3.4132 3.5900 3.5900 3.7019 3.7019 4.0898 4.0898 4.4964 4.4964 5.2252 5.2252 5.3076 5.3076 7.3404 7.3404 7.9766 7.9766 8.2034 8.2034 8.4540 8.4540 k = 0.4811-0.1519 0.1868 ( 17142 PWs) bands (ev): -15.5126 -15.5126 -15.4873 -15.4873 -5.4439 -5.4439 -4.9407 -4.9407 -4.1009 -4.1009 -4.0247 -4.0247 -2.8603 -2.8603 -2.7034 -2.7034 -2.4133 -2.4133 -2.3984 -2.3984 1.3977 1.3977 1.9852 1.9852 2.7379 2.7379 3.4202 3.4202 3.5927 3.5927 3.6982 3.6982 4.1012 4.1012 4.4940 4.4940 5.2217 5.2217 5.3050 5.3050 7.3393 7.3393 7.9733 7.9733 8.1924 8.1924 8.4387 8.4387 k = 0.4858-0.1293 0.1808 ( 17138 PWs) bands (ev): -15.5127 -15.5127 -15.4871 -15.4871 -5.4410 -5.4410 -4.9376 -4.9376 -4.1032 -4.1032 -4.0280 -4.0280 -2.8642 -2.8642 -2.7052 -2.7052 -2.4134 -2.4134 -2.3989 -2.3989 1.4040 1.4040 1.9857 1.9857 2.7392 2.7392 3.4258 3.4258 3.5947 3.5947 3.6947 3.6947 4.1113 4.1113 4.4917 4.4917 5.2188 5.2188 5.3029 5.3029 7.3384 7.3384 7.9717 7.9717 8.1824 8.1824 8.4265 8.4265 k = 0.4906-0.1066 0.1748 ( 17135 PWs) bands (ev): -15.5129 -15.5129 -15.4870 -15.4870 -5.4389 -5.4389 -4.9354 -4.9354 -4.1048 -4.1048 -4.0306 -4.0306 -2.8671 -2.8671 -2.7066 -2.7066 -2.4134 -2.4134 -2.3992 -2.3992 1.4086 1.4086 1.9861 1.9861 2.7403 2.7403 3.4299 3.4299 3.5961 3.5961 3.6918 3.6918 4.1193 4.1193 4.4898 4.4898 5.2167 5.2167 5.3013 5.3013 7.3377 7.3377 7.9713 7.9713 8.1744 8.1744 8.4177 8.4177 k = 0.4953-0.0840 0.1689 ( 17135 PWs) bands (ev): -15.5129 -15.5129 -15.4869 -15.4869 -5.4376 -5.4376 -4.9340 -4.9340 -4.1057 -4.1057 -4.0321 -4.0321 -2.8688 -2.8688 -2.7074 -2.7074 -2.4134 -2.4134 -2.3994 -2.3994 1.4114 1.4114 1.9863 1.9863 2.7409 2.7409 3.4324 3.4324 3.5969 3.5969 3.6899 3.6899 4.1244 4.1244 4.4885 4.4885 5.2154 5.2154 5.3004 5.3004 7.3373 7.3373 7.9713 7.9713 8.1691 8.1691 8.4123 8.4123 k = 0.5000-0.0613 0.1629 ( 17128 PWs) bands (ev): -15.5130 -15.5130 -15.4869 -15.4869 -5.4371 -5.4371 -4.9336 -4.9336 -4.1061 -4.1061 -4.0327 -4.0327 -2.8693 -2.8693 -2.7077 -2.7077 -2.4134 -2.4134 -2.3994 -2.3994 1.4123 1.4123 1.9864 1.9864 2.7412 2.7412 3.4332 3.4332 3.5972 3.5972 3.6893 3.6893 4.1262 4.1262 4.4881 4.4881 5.2150 5.2150 5.3001 5.3001 7.3372 7.3372 7.9714 7.9714 8.1673 8.1673 8.4105 8.4105 k = 0.5000-0.0613 0.1629 ( 17128 PWs) bands (ev): -15.5130 -15.5130 -15.4869 -15.4869 -5.4371 -5.4371 -4.9336 -4.9336 -4.1061 -4.1061 -4.0327 -4.0327 -2.8693 -2.8693 -2.7077 -2.7077 -2.4134 -2.4134 -2.3994 -2.3994 1.4123 1.4123 1.9864 1.9864 2.7412 2.7412 3.4332 3.4332 3.5972 3.5972 3.6893 3.6893 4.1262 4.1262 4.4881 4.4881 5.2150 5.2150 5.3001 5.3001 7.3372 7.3372 7.9714 7.9714 8.1673 8.1673 8.4105 8.4105 k = 0.4938-0.0543 0.1847 ( 17138 PWs) bands (ev): -15.5128 -15.5128 -15.4867 -15.4867 -5.4362 -5.4362 -4.9332 -4.9332 -4.1063 -4.1063 -4.0328 -4.0328 -2.8692 -2.8692 -2.7075 -2.7075 -2.4151 -2.4151 -2.4009 -2.4009 1.4136 1.4136 1.9855 1.9855 2.7417 2.7417 3.4279 3.4279 3.6000 3.6000 3.6888 3.6888 4.1277 4.1277 4.4886 4.4886 5.2112 5.2112 5.2998 5.2998 7.3270 7.3270 7.9754 7.9754 8.1730 8.1730 8.4113 8.4113 k = 0.4875-0.0472 0.2066 ( 17144 PWs) bands (ev): -15.5122 -15.5122 -15.4862 -15.4862 -5.4333 -5.4333 -4.9322 -4.9322 -4.1072 -4.1072 -4.0333 -4.0333 -2.8687 -2.8687 -2.7070 -2.7070 -2.4200 -2.4200 -2.4051 -2.4051 1.4176 1.4176 1.9829 1.9829 2.7434 2.7434 3.4133 3.4133 3.6056 3.6056 3.6887 3.6887 4.1321 4.1321 4.4901 4.4901 5.1998 5.1998 5.2989 5.2989 7.2970 7.2970 7.9874 7.9874 8.1902 8.1902 8.4135 8.4135 k = 0.4813-0.0401 0.2284 ( 17130 PWs) bands (ev): -15.5113 -15.5113 -15.4853 -15.4853 -5.4285 -5.4285 -4.9304 -4.9304 -4.1086 -4.1086 -4.0340 -4.0340 -2.8679 -2.8679 -2.7061 -2.7061 -2.4282 -2.4282 -2.4122 -2.4122 1.4241 1.4241 1.9787 1.9787 2.7460 2.7460 3.3917 3.3917 3.6078 3.6078 3.6932 3.6932 4.1389 4.1389 4.4926 4.4926 5.1813 5.1813 5.2976 5.2976 7.2493 7.2493 8.0072 8.0072 8.2183 8.2183 8.4172 8.4172 k = 0.4750-0.0331 0.2503 ( 17136 PWs) bands (ev): -15.5100 -15.5100 -15.4840 -15.4840 -5.4219 -5.4219 -4.9280 -4.9280 -4.1106 -4.1106 -4.0351 -4.0351 -2.8668 -2.8668 -2.7049 -2.7049 -2.4395 -2.4395 -2.4219 -2.4219 1.4332 1.4332 1.9730 1.9730 2.7497 2.7497 3.3649 3.3649 3.6014 3.6014 3.7056 3.7056 4.1477 4.1477 4.4960 4.4960 5.1567 5.1567 5.2961 5.2961 7.1869 7.1869 8.0346 8.0346 8.2567 8.2567 8.4224 8.4224 k = 0.4688-0.0260 0.2721 ( 17138 PWs) bands (ev): -15.5084 -15.5084 -15.4824 -15.4824 -5.4133 -5.4133 -4.9249 -4.9249 -4.1133 -4.1133 -4.0365 -4.0365 -2.8655 -2.8655 -2.7034 -2.7034 -2.4536 -2.4536 -2.4341 -2.4341 1.4448 1.4448 1.9659 1.9659 2.7542 2.7542 3.3338 3.3338 3.5870 3.5870 3.7249 3.7249 4.1578 4.1578 4.5005 4.5005 5.1272 5.1272 5.2944 5.2944 7.1128 7.1128 8.0690 8.0690 8.3046 8.3046 8.4292 8.4292 k = 0.4625-0.0190 0.2940 ( 17150 PWs) bands (ev): -15.5064 -15.5064 -15.4805 -15.4805 -5.4030 -5.4030 -4.9211 -4.9211 -4.1165 -4.1165 -4.0382 -4.0382 -2.8639 -2.8639 -2.7017 -2.7017 -2.4704 -2.4704 -2.4487 -2.4487 1.4589 1.4589 1.9576 1.9576 2.7594 2.7594 3.2985 3.2985 3.5672 3.5672 3.7482 3.7482 4.1685 4.1685 4.5059 4.5059 5.0943 5.0943 5.2924 5.2924 7.0304 7.0304 8.1101 8.1101 8.3601 8.3601 8.4385 8.4385 k = 0.4562-0.0119 0.3158 ( 17146 PWs) bands (ev): -15.5040 -15.5040 -15.4782 -15.4782 -5.3908 -5.3908 -4.9167 -4.9167 -4.1204 -4.1204 -4.0404 -4.0404 -2.8621 -2.8621 -2.6999 -2.6999 -2.4897 -2.4897 -2.4652 -2.4652 1.4755 1.4755 1.9484 1.9484 2.7650 2.7650 3.2589 3.2589 3.5443 3.5443 3.7735 3.7735 4.1792 4.1792 4.5121 4.5121 5.0594 5.0594 5.2900 5.2900 6.9425 6.9425 8.1569 8.1569 8.4148 8.4148 8.4576 8.4576 k = 0.4500-0.0048 0.3376 ( 17138 PWs) bands (ev): -15.5014 -15.5014 -15.4756 -15.4756 -5.3769 -5.3769 -4.9118 -4.9118 -4.1250 -4.1250 -4.0429 -4.0429 -2.8602 -2.8602 -2.6981 -2.6981 -2.5110 -2.5110 -2.4835 -2.4835 1.4944 1.4944 1.9384 1.9384 2.7708 2.7708 3.2148 3.2148 3.5201 3.5201 3.7994 3.7994 4.1892 4.1892 4.5191 4.5191 5.0240 5.0240 5.2871 5.2871 6.8518 6.8518 8.2083 8.2083 8.4414 8.4414 8.5126 8.5126 k = 0.4437 0.0022 0.3595 ( 17156 PWs) bands (ev): -15.4984 -15.4984 -15.4727 -15.4727 -5.3612 -5.3612 -4.9064 -4.9064 -4.1304 -4.1304 -4.0458 -4.0458 -2.8582 -2.8582 -2.6966 -2.6966 -2.5340 -2.5340 -2.5030 -2.5030 1.5156 1.5156 1.9280 1.9280 2.7761 2.7761 3.1663 3.1663 3.4957 3.4957 3.8251 3.8251 4.1980 4.1980 4.5266 4.5266 4.9894 4.9894 5.2837 5.2837 6.7606 6.7606 8.2629 8.2629 8.4541 8.4541 8.5881 8.5881 k = 0.4375 0.0093 0.3813 ( 17164 PWs) bands (ev): -15.4952 -15.4952 -15.4695 -15.4695 -5.3438 -5.3438 -4.9004 -4.9004 -4.1364 -4.1364 -4.0492 -4.0492 -2.8562 -2.8562 -2.6957 -2.6957 -2.5584 -2.5584 -2.5232 -2.5232 1.5388 1.5388 1.9174 1.9174 2.7801 2.7801 3.1139 3.1139 3.4722 3.4722 3.8501 3.8501 4.2048 4.2048 4.5345 4.5345 4.9567 4.9567 5.2797 5.2797 6.6710 6.6710 8.3177 8.3177 8.4661 8.4661 8.6693 8.6693 k = 0.4313 0.0164 0.4032 ( 17166 PWs) bands (ev): -15.4917 -15.4917 -15.4661 -15.4661 -5.3249 -5.3249 -4.8940 -4.8940 -4.1432 -4.1432 -4.0530 -4.0530 -2.8544 -2.8544 -2.6959 -2.6959 -2.5836 -2.5836 -2.5434 -2.5434 1.5641 1.5641 1.9067 1.9067 2.7813 2.7813 3.0591 3.0591 3.4502 3.4502 3.8736 3.8736 4.2090 4.2090 4.5423 4.5423 4.9268 4.9268 5.2749 5.2749 6.5849 6.5849 8.3674 8.3674 8.4822 8.4822 8.7501 8.7501 k = 0.4250 0.0234 0.4250 ( 17162 PWs) bands (ev): -15.4879 -15.4879 -15.4624 -15.4624 -5.3044 -5.3044 -4.8873 -4.8873 -4.1508 -4.1508 -4.0574 -4.0574 -2.8531 -2.8531 -2.6981 -2.6981 -2.6090 -2.6090 -2.5627 -2.5627 1.5910 1.5910 1.8963 1.8963 2.7767 2.7767 3.0052 3.0052 3.4302 3.4302 3.8953 3.8953 4.2100 4.2100 4.5497 4.5497 4.9006 4.9006 5.2693 5.2693 6.5039 6.5039 8.4022 8.4022 8.5100 8.5100 8.8206 8.8206 k = 0.4188 0.0305 0.4469 ( 17162 PWs) bands (ev): -15.4839 -15.4839 -15.4585 -15.4585 -5.2824 -5.2824 -4.8803 -4.8803 -4.1592 -4.1592 -4.0622 -4.0622 -2.8524 -2.8524 -2.7034 -2.7034 -2.6339 -2.6339 -2.5798 -2.5798 1.6194 1.6194 1.8863 1.8863 2.7609 2.7609 2.9580 2.9580 3.4125 3.4125 3.9145 3.9145 4.2071 4.2071 4.5561 4.5561 4.8787 4.8787 5.2628 5.2628 6.4295 6.4295 8.4161 8.4161 8.5524 8.5524 8.8611 8.8611 k = 0.4125 0.0376 0.4687 ( 17152 PWs) bands (ev): -15.4797 -15.4797 -15.4543 -15.4543 -5.2589 -5.2589 -4.8730 -4.8730 -4.1684 -4.1684 -4.0675 -4.0675 -2.8528 -2.8528 -2.7130 -2.7130 -2.6576 -2.6576 -2.5932 -2.5932 1.6489 1.6489 1.8768 1.8768 2.7276 2.7276 2.9248 2.9248 3.3974 3.3974 3.9307 3.9307 4.2000 4.2000 4.5609 4.5609 4.8618 4.8618 5.2553 5.2553 6.3631 6.3631 8.4145 8.4145 8.6017 8.6017 8.8531 8.8531 k = 0.4062 0.0446 0.4906 ( 17160 PWs) bands (ev): -15.4754 -15.4754 -15.4500 -15.4500 -5.2342 -5.2342 -4.8656 -4.8656 -4.1784 -4.1784 -4.0734 -4.0734 -2.8551 -2.8551 -2.7271 -2.7271 -2.6796 -2.6796 -2.6020 -2.6020 1.6788 1.6788 1.8681 1.8681 2.6763 2.6763 2.9069 2.9069 3.3851 3.3851 3.9430 3.9430 4.1887 4.1887 4.5634 4.5634 4.8503 4.8503 5.2468 5.2468 6.3057 6.3057 8.4021 8.4021 8.6505 8.6505 8.8056 8.8056 k = 0.4000 0.0517 0.5124 ( 17168 PWs) bands (ev): -15.4708 -15.4708 -15.4456 -15.4456 -5.2083 -5.2083 -4.8581 -4.8581 -4.1893 -4.1893 -4.0797 -4.0797 -2.8601 -2.8601 -2.7444 -2.7444 -2.6994 -2.6994 -2.6066 -2.6066 1.7085 1.7085 1.8600 1.8600 2.6140 2.6140 2.8989 2.8989 3.3757 3.3757 3.9501 3.9501 4.1740 4.1740 4.5631 4.5631 4.8445 4.8445 5.2371 5.2371 6.2579 6.2579 8.3811 8.3811 8.6912 8.6912 8.7425 8.7425 k = 0.3937 0.0587 0.5342 ( 17152 PWs) bands (ev): -15.4662 -15.4662 -15.4410 -15.4410 -5.1813 -5.1813 -4.8506 -4.8506 -4.2009 -4.2009 -4.0866 -4.0866 -2.8686 -2.8686 -2.7633 -2.7633 -2.7167 -2.7167 -2.6079 -2.6079 1.7369 1.7369 1.8525 1.8525 2.5476 2.5476 2.8956 2.8956 3.3694 3.3694 3.9500 3.9500 4.1578 4.1578 4.5594 4.5594 4.8445 4.8445 5.2264 5.2264 6.2201 6.2201 8.3524 8.3524 8.6498 8.6498 8.7477 8.7477 k = 0.3875 0.0658 0.5561 ( 17158 PWs) bands (ev): -15.4614 -15.4614 -15.4364 -15.4364 -5.1533 -5.1533 -4.8432 -4.8432 -4.2132 -4.2132 -4.0938 -4.0938 -2.8814 -2.8814 -2.7826 -2.7826 -2.7303 -2.7303 -2.6069 -2.6069 1.7629 1.7629 1.8447 1.8447 2.4828 2.4828 2.8940 2.8940 3.3661 3.3661 3.9399 3.9399 4.1431 4.1431 4.5523 4.5523 4.8495 4.8495 5.2146 5.2146 6.1922 6.1922 8.3173 8.3173 8.5673 8.5673 8.7857 8.7857 k = 0.3812 0.0729 0.5779 ( 17148 PWs) bands (ev): -15.4566 -15.4566 -15.4316 -15.4316 -5.1245 -5.1245 -4.8360 -4.8360 -4.2262 -4.2262 -4.1015 -4.1015 -2.8979 -2.8979 -2.8023 -2.8023 -2.7395 -2.7395 -2.6046 -2.6046 1.7851 1.7851 1.8354 1.8354 2.4246 2.4246 2.8924 2.8924 3.3657 3.3657 3.9174 3.9174 4.1330 4.1330 4.5419 4.5419 4.8589 4.8589 5.2017 5.2017 6.1739 6.1739 8.2772 8.2772 8.4808 8.4808 8.8225 8.8225 k = 0.3750 0.0799 0.5998 ( 17148 PWs) bands (ev): -15.4517 -15.4517 -15.4268 -15.4268 -5.0950 -5.0950 -4.8289 -4.8289 -4.2399 -4.2399 -4.1095 -4.1095 -2.9173 -2.9173 -2.8224 -2.8224 -2.7448 -2.7448 -2.6013 -2.6013 1.8024 1.8024 1.8220 1.8220 2.3779 2.3779 2.8901 2.8901 3.3681 3.3681 3.8823 3.8823 4.1287 4.1287 4.5286 4.5286 4.8715 4.8715 5.1880 5.1880 6.1643 6.1643 8.2336 8.2336 8.3936 8.3936 8.8574 8.8574 k = 0.3688 0.0870 0.6216 ( 17146 PWs) bands (ev): -15.4468 -15.4468 -15.4220 -15.4220 -5.0650 -5.0650 -4.8222 -4.8222 -4.2540 -4.2540 -4.1177 -4.1177 -2.9383 -2.9383 -2.8424 -2.8424 -2.7469 -2.7469 -2.5975 -2.5975 1.7973 1.7973 1.8182 1.8182 2.3474 2.3474 2.8869 2.8869 3.3727 3.3727 3.8365 3.8365 4.1294 4.1294 4.5125 4.5125 4.8861 4.8861 5.1737 5.1737 6.1626 6.1626 8.1877 8.1877 8.3073 8.3073 8.8904 8.8904 k = 0.3625 0.0941 0.6435 ( 17148 PWs) bands (ev): -15.4419 -15.4419 -15.4173 -15.4173 -5.0347 -5.0347 -4.8159 -4.8159 -4.2686 -4.2686 -4.1260 -4.1260 -2.9599 -2.9599 -2.8621 -2.8621 -2.7468 -2.7468 -2.5934 -2.5934 1.7638 1.7638 1.8285 1.8285 2.3356 2.3356 2.8827 2.8827 3.3791 3.3791 3.7830 3.7830 4.1337 4.1337 4.4941 4.4941 4.9014 4.9014 5.1591 5.1591 6.1676 6.1676 8.1401 8.1401 8.2238 8.2238 8.9216 8.9216 k = 0.3563 0.1011 0.6653 ( 17144 PWs) bands (ev): -15.4371 -15.4371 -15.4125 -15.4125 -5.0044 -5.0044 -4.8099 -4.8099 -4.2835 -4.2835 -4.1344 -4.1344 -2.9814 -2.9814 -2.8811 -2.8811 -2.7453 -2.7453 -2.5892 -2.5892 1.7180 1.7180 1.8383 1.8383 2.3417 2.3417 2.8774 2.8774 3.3862 3.3862 3.7250 3.7250 4.1406 4.1406 4.4734 4.4734 4.9159 4.9159 5.1451 5.1451 6.1781 6.1781 8.0892 8.0892 8.1467 8.1467 8.9506 8.9506 k = 0.3500 0.1082 0.6871 ( 17144 PWs) bands (ev): -15.4324 -15.4324 -15.4079 -15.4079 -4.9742 -4.9742 -4.8042 -4.8042 -4.2986 -4.2986 -4.1427 -4.1427 -3.0023 -3.0023 -2.8993 -2.8993 -2.7429 -2.7429 -2.5850 -2.5850 1.6628 1.6628 1.8482 1.8482 2.3621 2.3621 2.8713 2.8713 3.3922 3.3922 3.6656 3.6656 4.1492 4.1492 4.4507 4.4507 4.9279 4.9279 5.1327 5.1327 6.1929 6.1929 8.0287 8.0287 8.0843 8.0843 8.9737 8.9737 k = 0.3438 0.1153 0.7090 ( 17152 PWs) bands (ev): -15.4278 -15.4278 -15.4034 -15.4034 -4.9446 -4.9446 -4.7987 -4.7987 -4.3137 -4.3137 -4.1508 -4.1508 -3.0224 -3.0224 -2.9165 -2.9165 -2.7399 -2.7399 -2.5808 -2.5808 1.6017 1.6017 1.8593 1.8593 2.3930 2.3930 2.8646 2.8646 3.3940 3.3940 3.6094 3.6094 4.1592 4.1592 4.4259 4.4259 4.9356 4.9356 5.1234 5.1234 6.2108 6.2108 7.9586 7.9586 8.0382 8.0382 8.9284 8.9284 k = 0.3375 0.1223 0.7308 ( 17152 PWs) bands (ev): -15.4233 -15.4233 -15.3990 -15.3990 -4.9161 -4.9161 -4.7932 -4.7932 -4.3288 -4.3288 -4.1585 -4.1585 -3.0413 -3.0413 -2.9327 -2.9327 -2.7366 -2.7366 -2.5768 -2.5768 1.5376 1.5376 1.8718 1.8718 2.4309 2.4309 2.8574 2.8574 3.3852 3.3852 3.5637 3.5637 4.1705 4.1705 4.3993 4.3993 4.9367 4.9367 5.1188 5.1188 6.2307 6.2307 7.8866 7.8866 8.0018 8.0018 8.8609 8.8609 k = 0.3312 0.1294 0.7527 ( 17154 PWs) bands (ev): -15.4189 -15.4189 -15.3947 -15.3947 -4.8893 -4.8893 -4.7871 -4.7871 -4.3437 -4.3437 -4.1659 -4.1659 -3.0590 -3.0590 -2.9477 -2.9477 -2.7330 -2.7330 -2.5729 -2.5729 1.4728 1.4728 1.8862 1.8862 2.4730 2.4730 2.8500 2.8500 3.3582 3.3582 3.5369 3.5369 4.1830 4.1830 4.3709 4.3709 4.9302 4.9302 5.1200 5.1200 6.2515 6.2515 7.8169 7.8169 7.9723 7.9723 8.7952 8.7952 k = 0.3250 0.1364 0.7745 ( 17150 PWs) bands (ev): -15.4148 -15.4148 -15.3907 -15.3907 -4.8655 -4.8655 -4.7796 -4.7796 -4.3582 -4.3582 -4.1728 -4.1728 -3.0753 -3.0753 -2.9617 -2.9617 -2.7294 -2.7294 -2.5694 -2.5694 1.4091 1.4091 1.9026 1.9026 2.5170 2.5170 2.8427 2.8427 3.3141 3.3141 3.5291 3.5291 4.1964 4.1964 4.3410 4.3410 4.9165 4.9165 5.1263 5.1263 6.2723 6.2723 7.7508 7.7508 7.9493 7.9493 8.7326 8.7326 k = 0.3187 0.1435 0.7964 ( 17140 PWs) bands (ev): -15.4109 -15.4109 -15.3868 -15.3868 -4.8462 -4.8462 -4.7692 -4.7692 -4.3722 -4.3722 -4.1792 -4.1792 -3.0904 -3.0904 -2.9745 -2.9745 -2.7258 -2.7258 -2.5660 -2.5660 1.3477 1.3477 1.9211 1.9211 2.5604 2.5604 2.8359 2.8359 3.2621 3.2621 3.5321 3.5321 4.2106 4.2106 4.3101 4.3101 4.8968 4.8968 5.1363 5.1363 6.2923 6.2923 7.6889 7.6889 7.9327 7.9327 8.6737 8.6737 k = 0.3125 0.1506 0.8182 ( 17150 PWs) bands (ev): -15.4072 -15.4072 -15.3832 -15.3832 -4.8324 -4.8324 -4.7550 -4.7550 -4.3856 -4.3856 -4.1849 -4.1849 -3.1040 -3.1040 -2.9862 -2.9862 -2.7224 -2.7224 -2.5630 -2.5630 1.2894 1.2894 1.9417 1.9417 2.6005 2.6005 2.8300 2.8300 3.2101 3.2101 3.5397 3.5397 4.2238 4.2238 4.2802 4.2802 4.8728 4.8728 5.1484 5.1484 6.3109 6.3109 7.6318 7.6318 7.9226 7.9226 8.6188 8.6188 k = 0.3063 0.1576 0.8400 ( 17162 PWs) bands (ev): -15.4038 -15.4038 -15.3799 -15.3799 -4.8240 -4.8240 -4.7375 -4.7375 -4.3982 -4.3982 -4.1901 -4.1901 -3.1163 -3.1163 -2.9967 -2.9967 -2.7191 -2.7191 -2.5603 -2.5603 1.2351 1.2351 1.9643 1.9643 2.6336 2.6336 2.8260 2.8260 3.1635 3.1635 3.5487 3.5487 4.2244 4.2244 4.2633 4.2633 4.8458 4.8458 5.1612 5.1612 6.3275 6.3275 7.5797 7.5797 7.9188 7.9188 8.5684 8.5684 k = 0.3000 0.1647 0.8619 ( 17162 PWs) bands (ev): -15.4007 -15.4007 -15.3769 -15.3769 -4.8193 -4.8193 -4.7185 -4.7185 -4.4100 -4.4100 -4.1946 -4.1946 -3.1272 -3.1272 -3.0062 -3.0062 -2.7160 -2.7160 -2.5579 -2.5579 1.1852 1.1852 1.9888 1.9888 2.6552 2.6552 2.8245 2.8245 3.1271 3.1271 3.5575 3.5575 4.1988 4.1988 4.2736 4.2736 4.8167 4.8167 5.1740 5.1740 6.3420 6.3420 7.5328 7.5328 7.9209 7.9209 8.5227 8.5227 k = 0.2938 0.1718 0.8837 ( 17150 PWs) bands (ev): -15.3980 -15.3980 -15.3742 -15.3742 -4.8169 -4.8169 -4.6994 -4.6994 -4.4208 -4.4208 -4.1985 -4.1985 -3.1368 -3.1368 -3.0145 -3.0145 -2.7132 -2.7132 -2.5558 -2.5558 1.1403 1.1403 2.0149 2.0149 2.6617 2.6617 2.8250 2.8250 3.1055 3.1055 3.5651 3.5651 4.1663 4.1663 4.2922 4.2922 4.7863 4.7863 5.1861 5.1861 6.3542 6.3542 7.4912 7.4912 7.9284 7.9284 8.4820 8.4820 k = 0.2875 0.1788 0.9056 ( 17154 PWs) bands (ev): -15.3955 -15.3955 -15.3718 -15.3718 -4.8158 -4.8158 -4.6814 -4.6814 -4.4305 -4.4305 -4.2017 -4.2017 -3.1450 -3.1450 -3.0218 -3.0218 -2.7107 -2.7107 -2.5540 -2.5540 1.1006 1.1006 2.0423 2.0423 2.6531 2.6531 2.8251 2.8251 3.1010 3.1010 3.5709 3.5709 4.1335 4.1335 4.3131 4.3131 4.7553 4.7553 5.1972 5.1972 6.3641 6.3641 7.4550 7.4550 7.9401 7.9401 8.4464 8.4464 k = 0.2812 0.1859 0.9274 ( 17156 PWs) bands (ev): -15.3934 -15.3934 -15.3697 -15.3697 -4.8156 -4.8156 -4.6652 -4.6652 -4.4390 -4.4390 -4.2044 -4.2044 -3.1519 -3.1519 -3.0279 -3.0279 -2.7085 -2.7085 -2.5525 -2.5525 1.0666 1.0666 2.0703 2.0703 2.6331 2.6331 2.8234 2.8234 3.1115 3.1115 3.5745 3.5745 4.1024 4.1024 4.3352 4.3352 4.7246 4.7246 5.2070 5.2070 6.3719 6.3719 7.4244 7.4244 7.9548 7.9548 8.4161 8.4161 k = 0.2750 0.1930 0.9493 ( 17162 PWs) bands (ev): -15.3917 -15.3917 -15.3680 -15.3680 -4.8157 -4.8157 -4.6513 -4.6513 -4.4462 -4.4462 -4.2066 -4.2066 -3.1576 -3.1576 -3.0329 -3.0329 -2.7067 -2.7067 -2.5513 -2.5513 1.0384 1.0384 2.0980 2.0980 2.6064 2.6064 2.8202 2.8202 3.1315 3.1315 3.5759 3.5759 4.0743 4.0743 4.3575 4.3575 4.6948 4.6948 5.2153 5.2153 6.3778 6.3778 7.3993 7.3993 7.9709 7.9709 8.3912 8.3912 k = 0.2687 0.2000 0.9711 ( 17164 PWs) bands (ev): -15.3903 -15.3903 -15.3666 -15.3666 -4.8160 -4.8160 -4.6400 -4.6400 -4.4520 -4.4520 -4.2083 -4.2083 -3.1620 -3.1620 -3.0369 -3.0369 -2.7052 -2.7052 -2.5503 -2.5503 1.0163 1.0163 2.1240 2.1240 2.5781 2.5781 2.8168 2.8168 3.1546 3.1546 3.5753 3.5753 4.0506 4.0506 4.3790 4.3790 4.6675 4.6675 5.2218 5.2218 6.3820 6.3820 7.3798 7.3798 7.9865 7.9865 8.3719 8.3719 k = 0.2625 0.2071 0.9930 ( 17168 PWs) bands (ev): -15.3893 -15.3893 -15.3657 -15.3657 -4.8164 -4.8164 -4.6317 -4.6317 -4.4562 -4.4562 -4.2094 -4.2094 -3.1651 -3.1651 -3.0397 -3.0397 -2.7042 -2.7042 -2.5497 -2.5497 1.0004 1.0004 2.1459 2.1459 2.5528 2.5528 2.8141 2.8141 3.1755 3.1755 3.5735 3.5735 4.0327 4.0327 4.3978 4.3978 4.6443 4.6443 5.2266 5.2266 6.3849 6.3849 7.3659 7.3659 7.9996 7.9996 8.3580 8.3580 k = 0.2562 0.2141 1.0148 ( 17172 PWs) bands (ev): -15.3887 -15.3887 -15.3651 -15.3651 -4.8166 -4.8166 -4.6267 -4.6267 -4.4588 -4.4588 -4.2101 -4.2101 -3.1669 -3.1669 -3.0414 -3.0414 -2.7036 -2.7036 -2.5493 -2.5493 0.9908 0.9908 2.1610 2.1610 2.5351 2.5351 2.8124 2.8124 3.1899 3.1899 3.5716 3.5716 4.0214 4.0214 4.4113 4.4113 4.6282 4.6282 5.2295 5.2295 6.3865 6.3865 7.3575 7.3575 8.0084 8.0084 8.3497 8.3497 k = 0.2500 0.2212 1.0366 ( 17168 PWs) bands (ev): -15.3885 -15.3885 -15.3649 -15.3649 -4.8167 -4.8167 -4.6250 -4.6250 -4.4597 -4.4597 -4.2104 -4.2104 -3.1676 -3.1676 -3.0419 -3.0419 -2.7034 -2.7034 -2.5492 -2.5492 0.9876 0.9876 2.1665 2.1665 2.5287 2.5287 2.8118 2.8118 3.1951 3.1951 3.5708 3.5708 4.0176 4.0176 4.4163 4.4163 4.6223 4.6223 5.2304 5.2304 6.3870 6.3870 7.3547 7.3547 8.0115 8.0115 8.3470 8.3470 k = 0.1957-0.2212 1.0366 ( 17173 PWs) bands (ev): -15.3923 -15.3923 -15.3704 -15.3704 -4.8688 -4.8688 -4.6412 -4.6412 -4.4134 -4.4134 -4.2206 -4.2206 -3.1199 -3.1199 -3.0260 -3.0260 -2.6695 -2.6695 -2.5873 -2.5873 1.0619 1.0619 2.0901 2.0901 2.6865 2.6865 2.8001 2.8001 3.0539 3.0539 3.5771 3.5771 4.0929 4.0929 4.3352 4.3352 4.5394 4.5394 5.3097 5.3097 6.7241 6.7241 7.2827 7.2827 7.6747 7.6747 8.6736 8.6736 k = 0.2020-0.2283 1.0147 ( 17173 PWs) bands (ev): -15.3942 -15.3942 -15.3727 -15.3727 -4.8781 -4.8781 -4.6530 -4.6530 -4.4046 -4.4046 -4.2169 -4.2169 -3.1113 -3.1113 -3.0192 -3.0192 -2.6666 -2.6666 -2.5881 -2.5881 1.0997 1.0997 2.0626 2.0626 2.6709 2.6709 2.8153 2.8153 3.0646 3.0646 3.5726 3.5726 4.1137 4.1137 4.3098 4.3098 4.5738 4.5738 5.2838 5.2838 6.6944 6.6944 7.2985 7.2985 7.6999 7.6999 8.6546 8.6546 k = 0.2083-0.2354 0.9929 ( 17171 PWs) bands (ev): -15.3964 -15.3964 -15.3752 -15.3752 -4.8890 -4.8890 -4.6658 -4.6658 -4.3943 -4.3943 -4.2124 -4.2124 -3.1016 -3.1016 -3.0113 -3.0113 -2.6644 -2.6644 -2.5892 -2.5892 1.1433 1.1433 2.0357 2.0357 2.6447 2.6447 2.8243 2.8243 3.0929 3.0929 3.5670 3.5670 4.1361 4.1361 4.2865 4.2865 4.6090 4.6090 5.2552 5.2552 6.6610 6.6610 7.3199 7.3199 7.7314 7.7314 8.6401 8.6401 k = 0.2145-0.2424 0.9710 ( 17178 PWs) bands (ev): -15.3990 -15.3990 -15.3781 -15.3781 -4.9017 -4.9017 -4.6794 -4.6794 -4.3826 -4.3826 -4.2071 -4.2071 -3.0906 -3.0906 -3.0023 -3.0023 -2.6627 -2.6627 -2.5906 -2.5906 1.1922 1.1922 2.0099 2.0099 2.6095 2.6095 2.8280 2.8280 3.1360 3.1360 3.5603 3.5603 4.1596 4.1596 4.2654 4.2654 4.6446 4.6446 5.2245 5.2245 6.6244 6.6244 7.3469 7.3469 7.7691 7.7691 8.6302 8.6302 k = 0.2208-0.2495 0.9491 ( 17175 PWs) bands (ev): -15.4019 -15.4019 -15.3813 -15.3813 -4.9164 -4.9164 -4.6935 -4.6935 -4.3696 -4.3696 -4.2010 -4.2010 -3.0785 -3.0785 -2.9923 -2.9923 -2.6617 -2.6617 -2.5922 -2.5922 1.2460 1.2460 1.9856 1.9856 2.5675 2.5675 2.8292 2.8292 3.1887 3.1887 3.5531 3.5531 4.1833 4.1833 4.2468 4.2468 4.6803 4.6803 5.1922 5.1922 6.5851 6.5851 7.3794 7.3794 7.8125 7.8125 8.6250 8.6250 k = 0.2270-0.2566 0.9272 ( 17166 PWs) bands (ev): -15.4050 -15.4050 -15.3848 -15.3848 -4.9330 -4.9330 -4.7079 -4.7079 -4.3555 -4.3555 -4.1939 -4.1939 -3.0651 -3.0651 -2.9811 -2.9811 -2.6612 -2.6612 -2.5940 -2.5940 1.3042 1.3042 1.9630 1.9630 2.5208 2.5208 2.8301 2.8301 3.2458 3.2458 3.5469 3.5469 4.2042 4.2042 4.2331 4.2331 4.7156 4.7156 5.1590 5.1590 6.5435 6.5435 7.4173 7.4173 7.8611 7.8611 8.6242 8.6242 k = 0.2333-0.2637 0.9053 ( 17179 PWs) bands (ev): -15.4085 -15.4085 -15.3886 -15.3886 -4.9516 -4.9516 -4.7225 -4.7225 -4.3403 -4.3403 -4.1859 -4.1859 -3.0504 -3.0504 -2.9688 -2.9688 -2.6613 -2.6613 -2.5961 -2.5961 1.3662 1.3662 1.9422 1.9422 2.4717 2.4717 2.8314 2.8314 3.3017 3.3017 3.5448 3.5448 4.2051 4.2051 4.2412 4.2412 4.7501 4.7501 5.1256 5.1256 6.5006 6.5006 7.4604 7.4604 7.9146 7.9146 8.6276 8.6276 k = 0.2396-0.2708 0.8834 ( 17172 PWs) bands (ev): -15.4122 -15.4122 -15.3926 -15.3926 -4.9721 -4.9721 -4.7372 -4.7372 -4.3243 -4.3243 -4.1770 -4.1770 -3.0343 -3.0343 -2.9553 -2.9553 -2.6619 -2.6619 -2.5984 -2.5984 1.4310 1.4310 1.9231 1.9231 2.4220 2.4220 2.8333 2.8333 3.3490 3.3490 3.5529 3.5529 4.1925 4.1925 4.2642 4.2642 4.7829 4.7829 5.0931 5.0931 6.4570 6.4570 7.5086 7.5086 7.9725 7.9725 8.6349 8.6349 k = 0.2458-0.2778 0.8615 ( 17177 PWs) bands (ev): -15.4162 -15.4162 -15.3968 -15.3968 -4.9943 -4.9943 -4.7519 -4.7519 -4.3076 -4.3076 -4.1674 -4.1674 -3.0170 -3.0170 -2.9406 -2.9406 -2.6630 -2.6630 -2.6009 -2.6009 1.4976 1.4976 1.9057 1.9057 2.3739 2.3739 2.8358 2.8358 3.3784 3.3784 3.5793 3.5793 4.1791 4.1791 4.2890 4.2890 4.8129 4.8129 5.0629 5.0629 6.4136 6.4136 7.5614 7.5614 8.0344 8.0344 8.6455 8.6455 k = 0.2521-0.2849 0.8396 ( 17173 PWs) bands (ev): -15.4203 -15.4203 -15.4012 -15.4012 -5.0181 -5.0181 -4.7666 -4.7666 -4.2903 -4.2903 -4.1571 -4.1571 -2.9982 -2.9982 -2.9247 -2.9247 -2.6646 -2.6646 -2.6037 -2.6037 1.5643 1.5643 1.8898 1.8898 2.3294 2.3294 2.8387 2.8387 3.3880 3.3880 3.6251 3.6251 4.1664 4.1664 4.3142 4.3142 4.8377 4.8377 5.0377 5.0377 6.3714 6.3714 7.6187 7.6187 8.0999 8.0999 8.6590 8.6590 k = 0.2584-0.2920 0.8177 ( 17151 PWs) bands (ev): -15.4247 -15.4247 -15.4057 -15.4057 -5.0431 -5.0431 -4.7811 -4.7811 -4.2726 -4.2726 -4.1463 -4.1463 -2.9782 -2.9782 -2.9074 -2.9074 -2.6665 -2.6665 -2.6066 -2.6066 1.6289 1.6289 1.8748 1.8748 2.2916 2.2916 2.8418 2.8418 3.3845 3.3845 3.6825 3.6825 4.1547 4.1547 4.3395 4.3395 4.8535 4.8535 5.0215 5.0215 6.3314 6.3314 7.6801 7.6801 8.1684 8.1684 8.6749 8.6749 k = 0.2646-0.2991 0.7958 ( 17141 PWs) bands (ev): -15.4291 -15.4291 -15.4104 -15.4104 -5.0690 -5.0690 -4.7956 -4.7956 -4.2548 -4.2548 -4.1351 -4.1351 -2.9568 -2.9568 -2.8889 -2.8889 -2.6688 -2.6688 -2.6098 -2.6098 1.6880 1.6880 1.8603 1.8603 2.2642 2.2642 2.8449 2.8449 3.3748 3.3748 3.7433 3.7433 4.1447 4.1447 4.3650 4.3650 4.8557 4.8557 5.0189 5.0189 6.2947 6.2947 7.7451 7.7451 8.2394 8.2394 8.6924 8.6924 k = 0.2709-0.3062 0.7739 ( 17149 PWs) bands (ev): -15.4337 -15.4337 -15.4152 -15.4152 -5.0958 -5.0958 -4.8100 -4.8100 -4.2369 -4.2369 -4.1237 -4.1237 -2.9341 -2.9341 -2.8690 -2.8690 -2.6713 -2.6713 -2.6130 -2.6130 1.7366 1.7366 1.8460 1.8460 2.2524 2.2524 2.8480 2.8480 3.3624 3.3624 3.8021 3.8021 4.1374 4.1374 4.3905 4.3905 4.8449 4.8449 5.0301 5.0301 6.2625 6.2625 7.8134 7.8134 8.3123 8.3123 8.7111 8.7111 k = 0.2772-0.3132 0.7520 ( 17144 PWs) bands (ev): -15.4384 -15.4384 -15.4201 -15.4201 -5.1229 -5.1229 -4.8243 -4.8243 -4.2192 -4.2192 -4.1121 -4.1121 -2.9102 -2.9102 -2.8479 -2.8479 -2.6740 -2.6740 -2.6164 -2.6164 1.7672 1.7672 1.8342 1.8342 2.2608 2.2608 2.8508 2.8508 3.3494 3.3494 3.8539 3.8539 4.1348 4.1348 4.4162 4.4162 4.8261 4.8261 5.0498 5.0498 6.2360 6.2360 7.8842 7.8842 8.3863 8.3863 8.7302 8.7302 k = 0.2834-0.3203 0.7301 ( 17147 PWs) bands (ev): -15.4431 -15.4431 -15.4250 -15.4250 -5.1504 -5.1504 -4.8384 -4.8384 -4.2019 -4.2019 -4.1007 -4.1007 -2.8853 -2.8853 -2.8256 -2.8256 -2.6767 -2.6767 -2.6199 -2.6199 1.7692 1.7692 1.8338 1.8338 2.2910 2.2910 2.8531 2.8531 3.3369 3.3369 3.8938 3.8938 4.1399 4.1399 4.4418 4.4418 4.8044 4.8044 5.0737 5.0737 6.2167 6.2167 7.9571 7.9571 8.4605 8.4605 8.7492 8.7492 k = 0.2897-0.3274 0.7082 ( 17142 PWs) bands (ev): -15.4479 -15.4479 -15.4300 -15.4300 -5.1777 -5.1777 -4.8523 -4.8523 -4.1850 -4.1850 -4.0894 -4.0894 -2.8594 -2.8594 -2.8022 -2.8022 -2.6794 -2.6794 -2.6233 -2.6233 1.7476 1.7476 1.8418 1.8418 2.3400 2.3400 2.8550 2.8550 3.3257 3.3257 3.9179 3.9179 4.1550 4.1550 4.4671 4.4671 4.7828 4.7828 5.0990 5.0990 6.2059 6.2059 8.0313 8.0313 8.5336 8.5336 8.7674 8.7674 k = 0.2960-0.3345 0.6864 ( 17144 PWs) bands (ev): -15.4526 -15.4526 -15.4349 -15.4349 -5.2049 -5.2049 -4.8660 -4.8660 -4.1687 -4.1687 -4.0783 -4.0783 -2.8330 -2.8330 -2.7779 -2.7779 -2.6818 -2.6818 -2.6267 -2.6267 1.7159 1.7159 1.8496 1.8496 2.4020 2.4020 2.8564 2.8564 3.3165 3.3165 3.9262 3.9262 4.1788 4.1788 4.4915 4.4915 4.7634 4.7634 5.1244 5.1244 6.2047 6.2047 8.1058 8.1058 8.6038 8.6038 8.7847 8.7847 k = 0.3022-0.3416 0.6645 ( 17146 PWs) bands (ev): -15.4573 -15.4573 -15.4397 -15.4397 -5.2316 -5.2316 -4.8794 -4.8794 -4.1532 -4.1532 -4.0677 -4.0677 -2.8066 -2.8066 -2.7529 -2.7529 -2.6834 -2.6834 -2.6299 -2.6299 1.6798 1.6798 1.8563 1.8563 2.4717 2.4717 2.8576 2.8576 3.3096 3.3096 3.9226 3.9226 4.2066 4.2066 4.5139 4.5139 4.7483 4.7483 5.1493 5.1493 6.2145 6.2145 8.1796 8.1796 8.6682 8.6682 8.8018 8.8018 k = 0.3085-0.3486 0.6426 ( 17143 PWs) bands (ev): -15.4620 -15.4620 -15.4445 -15.4445 -5.2578 -5.2578 -4.8925 -4.8925 -4.1385 -4.1385 -4.0575 -4.0575 -2.7809 -2.7809 -2.7278 -2.7278 -2.6833 -2.6833 -2.6326 -2.6326 1.6416 1.6416 1.8626 1.8626 2.5441 2.5441 2.8590 2.8590 3.3055 3.3055 3.9112 3.9112 4.2334 4.2334 4.5323 4.5323 4.7398 4.7398 5.1731 5.1731 6.2358 6.2358 8.2511 8.2511 8.7214 8.7214 8.8213 8.8213 k = 0.3147-0.3557 0.6207 ( 17145 PWs) bands (ev): -15.4666 -15.4666 -15.4492 -15.4492 -5.2832 -5.2832 -4.9052 -4.9052 -4.1248 -4.1248 -4.0478 -4.0478 -2.7581 -2.7581 -2.7039 -2.7039 -2.6791 -2.6791 -2.6343 -2.6343 1.6027 1.6027 1.8691 1.8691 2.6152 2.6152 2.8620 2.8620 3.3045 3.3045 3.8950 3.8950 4.2560 4.2560 4.5447 4.5447 4.7405 4.7405 5.1957 5.1957 6.2693 6.2693 8.3186 8.3186 8.7554 8.7554 8.8484 8.8484 k = 0.3210-0.3628 0.5988 ( 17141 PWs) bands (ev): -15.4710 -15.4710 -15.4538 -15.4538 -5.3076 -5.3076 -4.9175 -4.9175 -4.1121 -4.1121 -4.0386 -4.0386 -2.7412 -2.7412 -2.6839 -2.6839 -2.6672 -2.6672 -2.6329 -2.6329 1.5641 1.5641 1.8760 1.8760 2.6797 2.6797 2.8694 2.8694 3.3070 3.3070 3.8759 3.8759 4.2726 4.2726 4.5498 4.5498 4.7520 4.7520 5.2169 5.2169 6.3147 6.3147 8.3797 8.3797 8.7694 8.7694 8.8813 8.8813 k = 0.3273-0.3699 0.5769 ( 17141 PWs) bands (ev): -15.4753 -15.4753 -15.4582 -15.4582 -5.3310 -5.3310 -4.9292 -4.9292 -4.1003 -4.1003 -4.0300 -4.0300 -2.7326 -2.7326 -2.6681 -2.6681 -2.6513 -2.6513 -2.6229 -2.6229 1.5265 1.5265 1.8836 1.8836 2.7302 2.7302 2.8869 2.8869 3.3133 3.3133 3.8550 3.8550 4.2823 4.2823 4.5486 4.5486 4.7741 4.7741 5.2365 5.2365 6.3715 6.3715 8.4311 8.4311 8.7706 8.7706 8.9096 8.9096 k = 0.3335-0.3770 0.5550 ( 17126 PWs) bands (ev): -15.4794 -15.4794 -15.4624 -15.4624 -5.3533 -5.3533 -4.9404 -4.9404 -4.0897 -4.0897 -4.0220 -4.0220 -2.7299 -2.7299 -2.6612 -2.6612 -2.6313 -2.6313 -2.6023 -2.6023 1.4903 1.4903 1.8917 1.8917 2.7599 2.7599 2.9197 2.9197 3.3236 3.3236 3.8332 3.8332 4.2849 4.2849 4.5434 4.5434 4.8046 4.8046 5.2546 5.2546 6.4387 6.4387 8.4688 8.4688 8.7635 8.7635 8.9230 8.9230 k = 0.3398-0.3840 0.5331 ( 17135 PWs) bands (ev): -15.4833 -15.4833 -15.4664 -15.4664 -5.3743 -5.3743 -4.9510 -4.9510 -4.0800 -4.0800 -4.0145 -4.0145 -2.7302 -2.7302 -2.6607 -2.6607 -2.6065 -2.6065 -2.5775 -2.5775 1.4559 1.4559 1.9002 1.9002 2.7719 2.7719 2.9636 2.9636 3.3382 3.3382 3.8110 3.8110 4.2809 4.2809 4.5362 4.5362 4.8418 4.8418 5.2712 5.2712 6.5149 6.5149 8.4883 8.4883 8.7476 8.7476 8.9037 8.9037 k = 0.3461-0.3911 0.5112 ( 17137 PWs) bands (ev): -15.4870 -15.4870 -15.4702 -15.4702 -5.3940 -5.3940 -4.9609 -4.9609 -4.0714 -4.0714 -4.0077 -4.0077 -2.7319 -2.7319 -2.6622 -2.6622 -2.5806 -2.5806 -2.5519 -2.5519 1.4235 1.4235 1.9091 1.9091 2.7742 2.7742 3.0095 3.0095 3.3570 3.3570 3.7892 3.7892 4.2710 4.2710 4.5286 4.5286 4.8840 4.8840 5.2863 5.2863 6.5984 6.5984 8.4865 8.4865 8.7174 8.7174 8.8429 8.8429 k = 0.3523-0.3982 0.4893 ( 17139 PWs) bands (ev): -15.4905 -15.4905 -15.4737 -15.4737 -5.4122 -5.4122 -4.9702 -4.9702 -4.0638 -4.0638 -4.0015 -4.0015 -2.7341 -2.7341 -2.6642 -2.6642 -2.5548 -2.5548 -2.5267 -2.5267 1.3934 1.3934 1.9180 1.9180 2.7721 2.7721 3.0519 3.0519 3.3797 3.3797 3.7681 3.7681 4.2563 4.2563 4.5211 4.5211 4.9300 4.9300 5.2998 5.2998 6.6874 6.6874 8.4641 8.4641 8.6716 8.6716 8.7638 8.7638 k = 0.3586-0.4053 0.4674 ( 17125 PWs) bands (ev): -15.4937 -15.4937 -15.4770 -15.4770 -5.4288 -5.4288 -4.9786 -4.9786 -4.0571 -4.0571 -3.9959 -3.9959 -2.7366 -2.7366 -2.6664 -2.6664 -2.5300 -2.5300 -2.5025 -2.5025 1.3657 1.3657 1.9269 1.9269 2.7678 2.7678 3.0886 3.0886 3.4054 3.4054 3.7486 3.7486 4.2381 4.2381 4.5141 4.5141 4.9787 4.9787 5.3120 5.3120 6.7799 6.7799 8.4257 8.4257 8.6190 8.6190 8.6844 8.6844 k = 0.3649-0.4124 0.4455 ( 17127 PWs) bands (ev): -15.4966 -15.4966 -15.4799 -15.4799 -5.4439 -5.4439 -4.9863 -4.9863 -4.0513 -4.0513 -3.9908 -3.9908 -2.7391 -2.7391 -2.6685 -2.6685 -2.5066 -2.5066 -2.4797 -2.4797 1.3406 1.3406 1.9355 1.9355 2.7626 2.7626 3.1192 3.1192 3.4323 3.4323 3.7311 3.7311 4.2175 4.2175 4.5078 4.5078 5.0288 5.0288 5.3226 5.3226 6.8738 6.8738 8.3782 8.3782 8.5661 8.5661 8.6099 8.6099 k = 0.3711-0.4194 0.4236 ( 17124 PWs) bands (ev): -15.4992 -15.4992 -15.4826 -15.4826 -5.4574 -5.4574 -4.9932 -4.9932 -4.0464 -4.0464 -3.9864 -3.9864 -2.7414 -2.7414 -2.6704 -2.6704 -2.4851 -2.4851 -2.4588 -2.4588 1.3182 1.3182 1.9437 1.9437 2.7571 2.7571 3.1444 3.1444 3.4585 3.4585 3.7166 3.7166 4.1955 4.1955 4.5022 4.5022 5.0791 5.0791 5.3318 5.3318 6.9667 6.9667 8.3278 8.3278 8.5150 8.5150 8.5425 8.5425 k = 0.3774-0.4265 0.4017 ( 17126 PWs) bands (ev): -15.5015 -15.5015 -15.4849 -15.4849 -5.4691 -5.4691 -4.9992 -4.9992 -4.0423 -4.0423 -3.9826 -3.9826 -2.7436 -2.7436 -2.6722 -2.6722 -2.4658 -2.4658 -2.4399 -2.4399 1.2986 1.2986 1.9513 1.9513 2.7518 2.7518 3.1649 3.1649 3.4817 3.4817 3.7059 3.7059 4.1734 4.1734 4.4972 4.4972 5.1279 5.1279 5.3395 5.3395 7.0562 7.0562 8.2790 8.2790 8.4661 8.4661 8.4832 8.4832 k = 0.3836-0.4336 0.3799 ( 17123 PWs) bands (ev): -15.5034 -15.5034 -15.4869 -15.4869 -5.4792 -5.4792 -5.0044 -5.0044 -4.0388 -4.0388 -3.9794 -3.9794 -2.7455 -2.7455 -2.6737 -2.6737 -2.4489 -2.4489 -2.4235 -2.4235 1.2819 1.2819 1.9581 1.9581 2.7470 2.7470 3.1815 3.1815 3.5004 3.5004 3.6997 3.6997 4.1521 4.1521 4.4930 4.4930 5.1737 5.1737 5.3457 5.3457 7.1396 7.1396 8.2346 8.2346 8.4204 8.4204 8.4329 8.4329 k = 0.3899-0.4407 0.3580 ( 17103 PWs) bands (ev): -15.5050 -15.5050 -15.4886 -15.4886 -5.4874 -5.4874 -5.0086 -5.0086 -4.0361 -4.0361 -3.9768 -3.9768 -2.7471 -2.7471 -2.6750 -2.6750 -2.4347 -2.4347 -2.4097 -2.4097 1.2681 1.2681 1.9638 1.9638 2.7428 2.7428 3.1948 3.1948 3.5135 3.5135 3.6981 3.6981 4.1325 4.1325 4.4895 4.4895 5.2148 5.2148 5.3504 5.3504 7.2140 7.2140 8.1965 8.1965 8.3798 8.3798 8.3913 8.3913 k = 0.3962-0.4477 0.3361 ( 17108 PWs) bands (ev): -15.5063 -15.5063 -15.4899 -15.4899 -5.4938 -5.4938 -5.0119 -5.0119 -4.0340 -4.0340 -3.9747 -3.9747 -2.7484 -2.7484 -2.6760 -2.6760 -2.4235 -2.4235 -2.3988 -2.3988 1.2573 1.2573 1.9685 1.9685 2.7394 2.7394 3.2050 3.2050 3.5213 3.5213 3.7002 3.7002 4.1158 4.1158 4.4868 4.4868 5.2495 5.2495 5.3534 5.3534 7.2764 7.2764 8.1657 8.1657 8.3467 8.3467 8.3580 8.3580 k = 0.4024-0.4548 0.3142 ( 17122 PWs) bands (ev): -15.5072 -15.5072 -15.4908 -15.4908 -5.4984 -5.4984 -5.0143 -5.0143 -4.0326 -4.0326 -3.9733 -3.9733 -2.7493 -2.7493 -2.6767 -2.6767 -2.4154 -2.4154 -2.3908 -2.3908 1.2496 1.2496 1.9719 1.9719 2.7370 2.7370 3.2123 3.2123 3.5252 3.5252 3.7039 3.7039 4.1029 4.1029 4.4849 4.4849 5.2763 5.2763 5.3548 5.3548 7.3236 7.3236 8.1431 8.1431 8.3222 8.3222 8.3337 8.3337 k = 0.4087-0.4619 0.2923 ( 17116 PWs) bands (ev): -15.5078 -15.5078 -15.4914 -15.4914 -5.5012 -5.5012 -5.0157 -5.0157 -4.0317 -4.0317 -3.9724 -3.9724 -2.7499 -2.7499 -2.6772 -2.6772 -2.4104 -2.4104 -2.3860 -2.3860 1.2449 1.2449 1.9740 1.9740 2.7354 2.7354 3.2167 3.2167 3.5267 3.5267 3.7072 3.7072 4.0947 4.0947 4.4837 4.4837 5.2937 5.2937 5.3549 5.3549 7.3532 7.3532 8.1293 8.1293 8.3071 8.3071 8.3189 8.3189 k = 0.4150-0.4690 0.2704 ( 17111 PWs) bands (ev): -15.5080 -15.5080 -15.4915 -15.4915 -5.5021 -5.5021 -5.0162 -5.0162 -4.0314 -4.0314 -3.9721 -3.9721 -2.7501 -2.7501 -2.6773 -2.6773 -2.4088 -2.4088 -2.3844 -2.3844 1.2434 1.2434 1.9747 1.9747 2.7349 2.7349 3.2182 3.2182 3.5271 3.5271 3.7085 3.7085 4.0919 4.0919 4.4833 4.4833 5.2998 5.2998 5.3547 5.3547 7.3633 7.3633 8.1246 8.1246 8.3020 8.3020 8.3139 8.3139 k = 0.5850 0.3463 0.0554 ( 17111 PWs) bands (ev): -15.5080 -15.5080 -15.4915 -15.4915 -5.5021 -5.5021 -5.0162 -5.0162 -4.0314 -4.0314 -3.9721 -3.9721 -2.7501 -2.7501 -2.6773 -2.6773 -2.4088 -2.4088 -2.3844 -2.3844 1.2434 1.2434 1.9747 1.9747 2.7349 2.7349 3.2182 3.2182 3.5271 3.5271 3.7085 3.7085 4.0919 4.0919 4.4833 4.4833 5.2998 5.2998 5.3547 5.3547 7.3633 7.3633 8.1246 8.1246 8.3020 8.3020 8.3139 8.3139 k = 0.5709 0.3623 0.0462 ( 17113 PWs) bands (ev): -15.5077 -15.5077 -15.4918 -15.4918 -5.5042 -5.5042 -5.0212 -5.0212 -4.0295 -4.0295 -3.9679 -3.9679 -2.7460 -2.7460 -2.6739 -2.6739 -2.4085 -2.4085 -2.3830 -2.3830 1.2330 1.2330 1.9739 1.9739 2.7396 2.7396 3.1961 3.1961 3.5241 3.5241 3.7085 3.7085 4.1075 4.1075 4.4785 4.4785 5.3090 5.3090 5.3583 5.3583 7.3648 7.3648 8.1187 8.1187 8.2861 8.2861 8.2999 8.2999 k = 0.5567 0.3783 0.0369 ( 17098 PWs) bands (ev): -15.5075 -15.5075 -15.4920 -15.4920 -5.5059 -5.5059 -5.0254 -5.0254 -4.0278 -4.0278 -3.9645 -3.9645 -2.7427 -2.7427 -2.6709 -2.6709 -2.4082 -2.4082 -2.3819 -2.3819 1.2242 1.2242 1.9733 1.9733 2.7442 2.7442 3.1768 3.1768 3.5217 3.5217 3.7085 3.7085 4.1213 4.1213 4.4741 4.4741 5.3170 5.3170 5.3612 5.3612 7.3661 7.3661 8.1121 8.1121 8.2710 8.2710 8.2878 8.2878 k = 0.5425 0.3944 0.0277 ( 17102 PWs) bands (ev): -15.5073 -15.5073 -15.4921 -15.4921 -5.5072 -5.5072 -5.0288 -5.0288 -4.0265 -4.0265 -3.9617 -3.9617 -2.7401 -2.7401 -2.6685 -2.6685 -2.4080 -2.4080 -2.3811 -2.3811 1.2173 1.2173 1.9728 1.9728 2.7484 2.7484 3.1609 3.1609 3.5199 3.5199 3.7085 3.7085 4.1328 4.1328 4.4702 4.4702 5.3237 5.3237 5.3634 5.3634 7.3671 7.3671 8.1054 8.1054 8.2589 8.2589 8.2775 8.2775 k = 0.5283 0.4104 0.0185 ( 17098 PWs) bands (ev): -15.5072 -15.5072 -15.4922 -15.4922 -5.5081 -5.5081 -5.0312 -5.0312 -4.0256 -4.0256 -3.9598 -3.9598 -2.7382 -2.7382 -2.6667 -2.6667 -2.4078 -2.4078 -2.3805 -2.3805 1.2122 1.2122 1.9725 1.9725 2.7518 2.7518 3.1491 3.1491 3.5187 3.5187 3.7086 3.7086 4.1414 4.1414 4.4672 4.4672 5.3288 5.3288 5.3649 5.3649 7.3678 7.3678 8.0997 8.0997 8.2504 8.2504 8.2695 8.2695 k = 0.5142 0.4264 0.0092 ( 17094 PWs) bands (ev): -15.5071 -15.5071 -15.4923 -15.4923 -5.5086 -5.5086 -5.0327 -5.0327 -4.0250 -4.0250 -3.9586 -3.9586 -2.7371 -2.7371 -2.6656 -2.6656 -2.4077 -2.4077 -2.3801 -2.3801 1.2092 1.2092 1.9723 1.9723 2.7541 2.7541 3.1417 3.1417 3.5180 3.5180 3.7086 3.7086 4.1468 4.1468 4.4653 4.4653 5.3320 5.3320 5.3657 5.3657 7.3683 7.3683 8.0958 8.0958 8.2454 8.2454 8.2645 8.2645 k = 0.5000 0.4424-0.0000 ( 17104 PWs) bands (ev): -15.5071 -15.5071 -15.4923 -15.4923 -5.5088 -5.5088 -5.0332 -5.0332 -4.0248 -4.0248 -3.9582 -3.9582 -2.7368 -2.7368 -2.6653 -2.6653 -2.4077 -2.4077 -2.3800 -2.3800 1.2081 1.2081 1.9722 1.9722 2.7548 2.7548 3.1392 3.1392 3.5178 3.5178 3.7086 3.7086 4.1486 4.1486 4.4647 4.4647 5.3331 5.3331 5.3660 5.3660 7.3684 7.3684 8.0944 8.0944 8.2438 8.2438 8.2627 8.2627 Writing output data file Cs2Te2Pt.save init_run : 0.87s CPU 1.06s WALL ( 1 calls) electrons : 706.75s CPU 712.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.08s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 706.74s CPU 712.89s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.29s CPU 0.32s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.20s WALL ( 314 calls) cegterg : 655.03s CPU 659.63s WALL ( 657 calls) Called by sum_band: Called by *egterg: h_psi : 526.00s CPU 529.91s WALL ( 10757 calls) s_psi : 10.63s CPU 10.80s WALL ( 10757 calls) g_psi : 0.54s CPU 0.59s WALL ( 9786 calls) cdiaghg : 112.66s CPU 112.99s WALL ( 10100 calls) cegterg:over : 17.82s CPU 18.15s WALL ( 9786 calls) cegterg:upda : 14.73s CPU 15.16s WALL ( 9786 calls) cegterg:last : 7.44s CPU 7.35s WALL ( 1599 calls) cdiaghg:chol : 4.57s CPU 4.62s WALL ( 10100 calls) cdiaghg:inve : 2.14s CPU 2.05s WALL ( 10100 calls) cdiaghg:para : 6.22s CPU 6.38s WALL ( 20200 calls) Called by h_psi: h_psi:vloc : 488.13s CPU 492.19s WALL ( 10757 calls) h_psi:vnl : 37.35s CPU 37.13s WALL ( 10757 calls) add_vuspsi : 21.06s CPU 21.01s WALL ( 10757 calls) General routines calbec : 16.24s CPU 16.09s WALL ( 10757 calls) fft : 0.03s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 468.59s CPU 472.72s WALL ( 949960 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.32s CPU 0.65s WALL ( 628 calls) Parallel routines fft_scatter : 220.50s CPU 221.86s WALL ( 949983 calls) PWSCF : 12m39.70s CPU 13m 7.37s WALL This run was terminated on: 14:36:55 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=