Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:52:38 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiGaO2.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 46 46 13 935 935 147 Max 47 47 14 936 936 149 Sum 1667 1667 485 33677 33677 5317 bravais-lattice index = 14 lattice parameter (alat) = 9.6500 a.u. unit-cell volume = 238.8517 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.649990 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.837487 celldm(5)= 0.837487 celldm(6)= 0.837487 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.837487 0.546457 0.000000 ) a(3) = ( 0.837487 0.249063 0.486398 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.532576 -0.937049 ) b(2) = ( 0.000000 1.829970 -0.937049 ) b(3) = ( 0.000000 0.000000 2.055930 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ga read from file: /users/gautes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) Ga 13.00 69.72300 Ga( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 418 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023923 k( 2) = ( 0.0078125 -0.0119733 -0.0073207), wk = 0.0023923 k( 3) = ( 0.0156250 -0.0239465 -0.0146414), wk = 0.0023923 k( 4) = ( 0.0234375 -0.0359198 -0.0219621), wk = 0.0023923 k( 5) = ( 0.0312500 -0.0478930 -0.0292828), wk = 0.0023923 k( 6) = ( 0.0390625 -0.0598663 -0.0366035), wk = 0.0023923 k( 7) = ( 0.0468750 -0.0718395 -0.0439242), wk = 0.0023923 k( 8) = ( 0.0546875 -0.0838128 -0.0512449), wk = 0.0023923 k( 9) = ( 0.0625000 -0.0957860 -0.0585656), wk = 0.0023923 k( 10) = ( 0.0703125 -0.1077593 -0.0658862), wk = 0.0023923 k( 11) = ( 0.0781250 -0.1197325 -0.0732069), wk = 0.0023923 k( 12) = ( 0.0859375 -0.1317058 -0.0805276), wk = 0.0023923 k( 13) = ( 0.0937500 -0.1436790 -0.0878483), wk = 0.0023923 k( 14) = ( 0.1015625 -0.1556523 -0.0951690), wk = 0.0023923 k( 15) = ( 0.1093750 -0.1676255 -0.1024897), wk = 0.0023923 k( 16) = ( 0.1171875 -0.1795988 -0.1098104), wk = 0.0023923 k( 17) = ( 0.1250000 -0.1915720 -0.1171311), wk = 0.0023923 k( 18) = ( 0.1328125 -0.2035453 -0.1244518), wk = 0.0023923 k( 19) = ( 0.1406250 -0.2155185 -0.1317725), wk = 0.0023923 k( 20) = ( 0.1484375 -0.2274918 -0.1390932), wk = 0.0023923 k( 21) = ( 0.1562500 -0.2394650 -0.1464139), wk = 0.0023923 k( 22) = ( 0.1640625 -0.2514383 -0.1537346), wk = 0.0023923 k( 23) = ( 0.1718750 -0.2634115 -0.1610553), wk = 0.0023923 k( 24) = ( 0.1796875 -0.2753848 -0.1683760), wk = 0.0023923 k( 25) = ( 0.1875000 -0.2873580 -0.1756967), wk = 0.0023923 k( 26) = ( 0.1953125 -0.2993313 -0.1830174), wk = 0.0023923 k( 27) = ( 0.2031250 -0.3113045 -0.1903381), wk = 0.0023923 k( 28) = ( 0.2109375 -0.3232778 -0.1976587), wk = 0.0023923 k( 29) = ( 0.2187500 -0.3352510 -0.2049794), wk = 0.0023923 k( 30) = ( 0.2265625 -0.3472243 -0.2123001), wk = 0.0023923 k( 31) = ( 0.2343750 -0.3591975 -0.2196208), wk = 0.0023923 k( 32) = ( 0.2421875 -0.3711708 -0.2269415), wk = 0.0023923 k( 33) = ( 0.2500000 -0.3831440 -0.2342622), wk = 0.0023923 k( 34) = ( 0.2578125 -0.3951173 -0.2415829), wk = 0.0023923 k( 35) = ( 0.2656250 -0.4070905 -0.2489036), wk = 0.0023923 k( 36) = ( 0.2734375 -0.4190638 -0.2562243), wk = 0.0023923 k( 37) = ( 0.2812500 -0.4310370 -0.2635450), wk = 0.0023923 k( 38) = ( 0.2890625 -0.4430103 -0.2708657), wk = 0.0023923 k( 39) = ( 0.2968750 -0.4549835 -0.2781864), wk = 0.0023923 k( 40) = ( 0.3046875 -0.4669568 -0.2855071), wk = 0.0023923 k( 41) = ( 0.3125000 -0.4789300 -0.2928278), wk = 0.0023923 k( 42) = ( 0.3203125 -0.4909033 -0.3001485), wk = 0.0023923 k( 43) = ( 0.3281250 -0.5028765 -0.3074692), wk = 0.0023923 k( 44) = ( 0.3359375 -0.5148498 -0.3147899), wk = 0.0023923 k( 45) = ( 0.3437500 -0.5268230 -0.3221106), wk = 0.0023923 k( 46) = ( 0.3515625 -0.5387963 -0.3294312), wk = 0.0023923 k( 47) = ( 0.3593750 -0.5507695 -0.3367519), wk = 0.0023923 k( 48) = ( 0.3671875 -0.5627428 -0.3440726), wk = 0.0023923 k( 49) = ( 0.3750000 -0.5747160 -0.3513933), wk = 0.0023923 k( 50) = ( 0.3828125 -0.5866893 -0.3587140), wk = 0.0023923 k( 51) = ( 0.3906250 -0.5986625 -0.3660347), wk = 0.0023923 k( 52) = ( 0.3984375 -0.6106358 -0.3733554), wk = 0.0023923 k( 53) = ( 0.4062500 -0.6226090 -0.3806761), wk = 0.0023923 k( 54) = ( 0.4140625 -0.6345823 -0.3879968), wk = 0.0023923 k( 55) = ( 0.4218750 -0.6465555 -0.3953175), wk = 0.0023923 k( 56) = ( 0.4296875 -0.6585288 -0.4026382), wk = 0.0023923 k( 57) = ( 0.4375000 -0.6705020 -0.4099589), wk = 0.0023923 k( 58) = ( 0.4453125 -0.6824753 -0.4172796), wk = 0.0023923 k( 59) = ( 0.4531250 -0.6944485 -0.4246003), wk = 0.0023923 k( 60) = ( 0.4609375 -0.7064218 -0.4319210), wk = 0.0023923 k( 61) = ( 0.4687500 -0.7183950 -0.4392417), wk = 0.0023923 k( 62) = ( 0.4765625 -0.7303683 -0.4465624), wk = 0.0023923 k( 63) = ( 0.4843750 -0.7423415 -0.4538831), wk = 0.0023923 k( 64) = ( 0.4921875 -0.7543148 -0.4612037), wk = 0.0023923 k( 65) = ( 0.5000000 -0.7662880 -0.4685244), wk = 0.0023923 k( 66) = ( 0.5000000 -0.7662880 -0.4685244), wk = 0.0023923 k( 67) = ( 0.5000000 -0.7579453 -0.4821693), wk = 0.0023923 k( 68) = ( 0.5000000 -0.7496025 -0.4958143), wk = 0.0023923 k( 69) = ( 0.5000000 -0.7412597 -0.5094591), wk = 0.0023923 k( 70) = ( 0.5000000 -0.7329170 -0.5231040), wk = 0.0023923 k( 71) = ( 0.5000000 -0.7245742 -0.5367489), wk = 0.0023923 k( 72) = ( 0.5000000 -0.7162314 -0.5503938), wk = 0.0023923 k( 73) = ( 0.5000000 -0.7078886 -0.5640387), wk = 0.0023923 k( 74) = ( 0.5000000 -0.6995459 -0.5776836), wk = 0.0023923 k( 75) = ( 0.5000000 -0.6912031 -0.5913285), wk = 0.0023923 k( 76) = ( 0.5000000 -0.6828603 -0.6049734), wk = 0.0023923 k( 77) = ( 0.5000000 -0.6745175 -0.6186183), wk = 0.0023923 k( 78) = ( 0.5000000 -0.6661748 -0.6322632), wk = 0.0023923 k( 79) = ( 0.5000000 -0.6578320 -0.6459081), wk = 0.0023923 k( 80) = ( 0.5000000 -0.6494892 -0.6595530), wk = 0.0023923 k( 81) = ( 0.5000000 -0.6411464 -0.6731979), wk = 0.0023923 k( 82) = ( 0.5000000 -0.6328037 -0.6868428), wk = 0.0023923 k( 83) = ( 0.5000000 -0.6244609 -0.7004877), wk = 0.0023923 k( 84) = ( 0.5000000 -0.6161181 -0.7141326), wk = 0.0023923 k( 85) = ( 0.5000000 -0.6077753 -0.7277775), wk = 0.0023923 k( 86) = ( 0.5000000 -0.5994326 -0.7414224), wk = 0.0023923 k( 87) = ( 0.5000000 -0.5910898 -0.7550673), wk = 0.0023923 k( 88) = ( 0.5000000 -0.5827470 -0.7687122), wk = 0.0023923 k( 89) = ( 0.5000000 -0.5744042 -0.7823571), wk = 0.0023923 k( 90) = ( 0.5000000 -0.5660615 -0.7960020), wk = 0.0023923 k( 91) = ( 0.5000000 -0.5577187 -0.8096469), wk = 0.0023923 k( 92) = ( 0.5000000 -0.5493759 -0.8232918), wk = 0.0023923 k( 93) = ( 0.5000000 -0.5410331 -0.8369367), wk = 0.0023923 k( 94) = ( 0.5000000 -0.5326904 -0.8505816), wk = 0.0023923 k( 95) = ( 0.5000000 -0.5243476 -0.8642265), wk = 0.0023923 k( 96) = ( 0.5000000 -0.5160048 -0.8778714), wk = 0.0023923 k( 97) = ( 0.5000000 -0.5076621 -0.8915163), wk = 0.0023923 k( 98) = ( 0.5000000 -0.4993193 -0.9051612), wk = 0.0023923 k( 99) = ( 0.5000000 -0.4909765 -0.9188061), wk = 0.0023923 k( 100) = ( 0.5000000 -0.4826337 -0.9324509), wk = 0.0023923 k( 101) = ( 0.5000000 -0.4742910 -0.9460958), wk = 0.0023923 k( 102) = ( 0.5000000 -0.4659482 -0.9597407), wk = 0.0023923 k( 103) = ( 0.5000000 -0.4576054 -0.9733856), wk = 0.0023923 k( 104) = ( 0.5000000 -0.4492626 -0.9870306), wk = 0.0023923 k( 105) = ( 0.5000000 -0.4409199 -1.0006755), wk = 0.0023923 k( 106) = ( 0.5000000 -0.4325771 -1.0143203), wk = 0.0023923 k( 107) = ( 0.5000000 -0.4242343 -1.0279652), wk = 0.0023923 k( 108) = ( 0.8130823 -0.3311256 -0.8461325), wk = 0.0023923 k( 109) = ( 0.8084782 -0.3240694 -0.8323524), wk = 0.0023923 k( 110) = ( 0.8038740 -0.3170132 -0.8185723), wk = 0.0023923 k( 111) = ( 0.7992698 -0.3099570 -0.8047921), wk = 0.0023923 k( 112) = ( 0.7946657 -0.3029008 -0.7910120), wk = 0.0023923 k( 113) = ( 0.7900616 -0.2958445 -0.7772319), wk = 0.0023923 k( 114) = ( 0.7854574 -0.2887883 -0.7634518), wk = 0.0023923 k( 115) = ( 0.7808533 -0.2817321 -0.7496716), wk = 0.0023923 k( 116) = ( 0.7762491 -0.2746759 -0.7358915), wk = 0.0023923 k( 117) = ( 0.7716449 -0.2676197 -0.7221114), wk = 0.0023923 k( 118) = ( 0.7670408 -0.2605635 -0.7083312), wk = 0.0023923 k( 119) = ( 0.7624366 -0.2535073 -0.6945511), wk = 0.0023923 k( 120) = ( 0.7578325 -0.2464511 -0.6807710), wk = 0.0023923 k( 121) = ( 0.7532283 -0.2393948 -0.6669908), wk = 0.0023923 k( 122) = ( 0.7486242 -0.2323386 -0.6532107), wk = 0.0023923 k( 123) = ( 0.7440200 -0.2252824 -0.6394306), wk = 0.0023923 k( 124) = ( 0.7394159 -0.2182262 -0.6256504), wk = 0.0023923 k( 125) = ( 0.7348117 -0.2111700 -0.6118703), wk = 0.0023923 k( 126) = ( 0.7302076 -0.2041138 -0.5980902), wk = 0.0023923 k( 127) = ( 0.7256034 -0.1970576 -0.5843101), wk = 0.0023923 k( 128) = ( 0.7209993 -0.1900014 -0.5705299), wk = 0.0023923 k( 129) = ( 0.7163951 -0.1829451 -0.5567498), wk = 0.0023923 k( 130) = ( 0.7117910 -0.1758889 -0.5429697), wk = 0.0023923 k( 131) = ( 0.7071868 -0.1688327 -0.5291895), wk = 0.0023923 k( 132) = ( 0.7025827 -0.1617765 -0.5154094), wk = 0.0023923 k( 133) = ( 0.6979785 -0.1547203 -0.5016293), wk = 0.0023923 k( 134) = ( 0.6933744 -0.1476641 -0.4878491), wk = 0.0023923 k( 135) = ( 0.6887702 -0.1406079 -0.4740690), wk = 0.0023923 k( 136) = ( 0.6841661 -0.1335516 -0.4602889), wk = 0.0023923 k( 137) = ( 0.6795619 -0.1264954 -0.4465087), wk = 0.0023923 k( 138) = ( 0.6749578 -0.1194392 -0.4327286), wk = 0.0023923 k( 139) = ( 0.6703536 -0.1123830 -0.4189485), wk = 0.0023923 k( 140) = ( 0.6657495 -0.1053268 -0.4051684), wk = 0.0023923 k( 141) = ( 0.6611453 -0.0982706 -0.3913882), wk = 0.0023923 k( 142) = ( 0.6565412 -0.0912144 -0.3776081), wk = 0.0023923 k( 143) = ( 0.6519370 -0.0841582 -0.3638280), wk = 0.0023923 k( 144) = ( 0.6473328 -0.0771019 -0.3500478), wk = 0.0023923 k( 145) = ( 0.6427287 -0.0700457 -0.3362677), wk = 0.0023923 k( 146) = ( 0.6381246 -0.0629895 -0.3224876), wk = 0.0023923 k( 147) = ( 0.6335204 -0.0559333 -0.3087075), wk = 0.0023923 k( 148) = ( 0.6289162 -0.0488771 -0.2949273), wk = 0.0023923 k( 149) = ( 0.6243121 -0.0418209 -0.2811472), wk = 0.0023923 k( 150) = ( 0.6197079 -0.0347647 -0.2673670), wk = 0.0023923 k( 151) = ( 0.6151038 -0.0277085 -0.2535869), wk = 0.0023923 k( 152) = ( 0.6104996 -0.0206523 -0.2398068), wk = 0.0023923 k( 153) = ( 0.6058955 -0.0135960 -0.2260267), wk = 0.0023923 k( 154) = ( 0.6012913 -0.0065398 -0.2122465), wk = 0.0023923 k( 155) = ( 0.5966872 0.0005164 -0.1984664), wk = 0.0023923 k( 156) = ( 0.5920830 0.0075726 -0.1846863), wk = 0.0023923 k( 157) = ( 0.5874789 0.0146288 -0.1709061), wk = 0.0023923 k( 158) = ( 0.5828747 0.0216850 -0.1571260), wk = 0.0023923 k( 159) = ( 0.5782706 0.0287412 -0.1433459), wk = 0.0023923 k( 160) = ( 0.5736664 0.0357974 -0.1295658), wk = 0.0023923 k( 161) = ( 0.5690623 0.0428537 -0.1157856), wk = 0.0023923 k( 162) = ( 0.5644581 0.0499099 -0.1020055), wk = 0.0023923 k( 163) = ( 0.5598540 0.0569661 -0.0882253), wk = 0.0023923 k( 164) = ( 0.5552498 0.0640223 -0.0744452), wk = 0.0023923 k( 165) = ( 0.5506457 0.0710785 -0.0606651), wk = 0.0023923 k( 166) = ( 0.5460415 0.0781347 -0.0468850), wk = 0.0023923 k( 167) = ( 0.5414374 0.0851909 -0.0331048), wk = 0.0023923 k( 168) = ( 0.5368332 0.0922472 -0.0193247), wk = 0.0023923 k( 169) = ( 0.5322291 0.0993034 -0.0055446), wk = 0.0023923 k( 170) = ( 0.5276249 0.1063596 0.0082356), wk = 0.0023923 k( 171) = ( 0.5230208 0.1134158 0.0220157), wk = 0.0023923 k( 172) = ( 0.5184166 0.1204720 0.0357958), wk = 0.0023923 k( 173) = ( 0.5138124 0.1275282 0.0495760), wk = 0.0023923 k( 174) = ( 0.5092083 0.1345844 0.0633561), wk = 0.0023923 k( 175) = ( 0.5046042 0.1416406 0.0771362), wk = 0.0023923 k( 176) = ( 0.5000000 0.1486969 0.0909163), wk = 0.0023923 k( 177) = ( 0.5000000 0.1486969 0.0909163), wk = 0.0023923 k( 178) = ( 0.4848485 0.1441909 0.0881613), wk = 0.0023923 k( 179) = ( 0.4696970 0.1396849 0.0854063), wk = 0.0023923 k( 180) = ( 0.4545455 0.1351790 0.0826512), wk = 0.0023923 k( 181) = ( 0.4393939 0.1306730 0.0798962), wk = 0.0023923 k( 182) = ( 0.4242424 0.1261670 0.0771411), wk = 0.0023923 k( 183) = ( 0.4090909 0.1216611 0.0743861), wk = 0.0023923 k( 184) = ( 0.3939394 0.1171551 0.0716311), wk = 0.0023923 k( 185) = ( 0.3787879 0.1126491 0.0688760), wk = 0.0023923 k( 186) = ( 0.3636364 0.1081432 0.0661210), wk = 0.0023923 k( 187) = ( 0.3484849 0.1036372 0.0633659), wk = 0.0023923 k( 188) = ( 0.3333333 0.0991312 0.0606109), wk = 0.0023923 k( 189) = ( 0.3181818 0.0946253 0.0578559), wk = 0.0023923 k( 190) = ( 0.3030303 0.0901193 0.0551008), wk = 0.0023923 k( 191) = ( 0.2878788 0.0856133 0.0523458), wk = 0.0023923 k( 192) = ( 0.2727273 0.0811074 0.0495907), wk = 0.0023923 k( 193) = ( 0.2575758 0.0766014 0.0468357), wk = 0.0023923 k( 194) = ( 0.2424242 0.0720954 0.0440807), wk = 0.0023923 k( 195) = ( 0.2272727 0.0675895 0.0413256), wk = 0.0023923 k( 196) = ( 0.2121212 0.0630835 0.0385706), wk = 0.0023923 k( 197) = ( 0.1969697 0.0585775 0.0358155), wk = 0.0023923 k( 198) = ( 0.1818182 0.0540716 0.0330605), wk = 0.0023923 k( 199) = ( 0.1666667 0.0495656 0.0303055), wk = 0.0023923 k( 200) = ( 0.1515151 0.0450597 0.0275504), wk = 0.0023923 k( 201) = ( 0.1363636 0.0405537 0.0247954), wk = 0.0023923 k( 202) = ( 0.1212121 0.0360477 0.0220403), wk = 0.0023923 k( 203) = ( 0.1060606 0.0315418 0.0192853), wk = 0.0023923 k( 204) = ( 0.0909091 0.0270358 0.0165302), wk = 0.0023923 k( 205) = ( 0.0757576 0.0225298 0.0137752), wk = 0.0023923 k( 206) = ( 0.0606061 0.0180239 0.0110202), wk = 0.0023923 k( 207) = ( 0.0454546 0.0135179 0.0082651), wk = 0.0023923 k( 208) = ( 0.0303030 0.0090119 0.0055101), wk = 0.0023923 k( 209) = ( 0.0151515 0.0045060 0.0027550), wk = 0.0023923 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023923 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023923 k( 212) = ( 0.0045794 -0.0070184 -0.0137062), wk = 0.0023923 k( 213) = ( 0.0091589 -0.0140367 -0.0274124), wk = 0.0023923 k( 214) = ( 0.0137383 -0.0210551 -0.0411186), wk = 0.0023923 k( 215) = ( 0.0183178 -0.0280734 -0.0548248), wk = 0.0023923 k( 216) = ( 0.0228973 -0.0350918 -0.0685310), wk = 0.0023923 k( 217) = ( 0.0274767 -0.0421101 -0.0822372), wk = 0.0023923 k( 218) = ( 0.0320562 -0.0491285 -0.0959434), wk = 0.0023923 k( 219) = ( 0.0366356 -0.0561469 -0.1096496), wk = 0.0023923 k( 220) = ( 0.0412151 -0.0631652 -0.1233558), wk = 0.0023923 k( 221) = ( 0.0457945 -0.0701836 -0.1370620), wk = 0.0023923 k( 222) = ( 0.0503740 -0.0772019 -0.1507682), wk = 0.0023923 k( 223) = ( 0.0549534 -0.0842203 -0.1644745), wk = 0.0023923 k( 224) = ( 0.0595329 -0.0912387 -0.1781807), wk = 0.0023923 k( 225) = ( 0.0641123 -0.0982570 -0.1918869), wk = 0.0023923 k( 226) = ( 0.0686918 -0.1052754 -0.2055930), wk = 0.0023923 k( 227) = ( 0.0732712 -0.1122937 -0.2192992), wk = 0.0023923 k( 228) = ( 0.0778507 -0.1193121 -0.2330054), wk = 0.0023923 k( 229) = ( 0.0824301 -0.1263304 -0.2467116), wk = 0.0023923 k( 230) = ( 0.0870096 -0.1333488 -0.2604178), wk = 0.0023923 k( 231) = ( 0.0915890 -0.1403672 -0.2741241), wk = 0.0023923 k( 232) = ( 0.0961685 -0.1473855 -0.2878303), wk = 0.0023923 k( 233) = ( 0.1007479 -0.1544039 -0.3015365), wk = 0.0023923 k( 234) = ( 0.1053274 -0.1614222 -0.3152427), wk = 0.0023923 k( 235) = ( 0.1099068 -0.1684406 -0.3289489), wk = 0.0023923 k( 236) = ( 0.1144863 -0.1754589 -0.3426551), wk = 0.0023923 k( 237) = ( 0.1190657 -0.1824773 -0.3563613), wk = 0.0023923 k( 238) = ( 0.1236452 -0.1894956 -0.3700675), wk = 0.0023923 k( 239) = ( 0.1282246 -0.1965140 -0.3837737), wk = 0.0023923 k( 240) = ( 0.1328041 -0.2035324 -0.3974799), wk = 0.0023923 k( 241) = ( 0.1373835 -0.2105507 -0.4111861), wk = 0.0023923 k( 242) = ( 0.1419630 -0.2175691 -0.4248923), wk = 0.0023923 k( 243) = ( 0.1465424 -0.2245874 -0.4385985), wk = 0.0023923 k( 244) = ( 0.1511219 -0.2316058 -0.4523047), wk = 0.0023923 k( 245) = ( 0.1557013 -0.2386242 -0.4660109), wk = 0.0023923 k( 246) = ( 0.1602808 -0.2456425 -0.4797171), wk = 0.0023923 k( 247) = ( 0.1648603 -0.2526609 -0.4934233), wk = 0.0023923 k( 248) = ( 0.1694397 -0.2596792 -0.5071295), wk = 0.0023923 k( 249) = ( 0.1740192 -0.2666976 -0.5208357), wk = 0.0023923 k( 250) = ( 0.1785986 -0.2737159 -0.5345419), wk = 0.0023923 k( 251) = ( 0.1831781 -0.2807343 -0.5482481), wk = 0.0023923 k( 252) = ( 0.1877575 -0.2877527 -0.5619543), wk = 0.0023923 k( 253) = ( 0.1923370 -0.2947710 -0.5756605), wk = 0.0023923 k( 254) = ( 0.1969164 -0.3017894 -0.5893667), wk = 0.0023923 k( 255) = ( 0.2014959 -0.3088077 -0.6030730), wk = 0.0023923 k( 256) = ( 0.2060753 -0.3158261 -0.6167791), wk = 0.0023923 k( 257) = ( 0.2106548 -0.3228444 -0.6304853), wk = 0.0023923 k( 258) = ( 0.2152342 -0.3298628 -0.6441915), wk = 0.0023923 k( 259) = ( 0.2198137 -0.3368812 -0.6578977), wk = 0.0023923 k( 260) = ( 0.2243931 -0.3438995 -0.6716039), wk = 0.0023923 k( 261) = ( 0.2289726 -0.3509179 -0.6853101), wk = 0.0023923 k( 262) = ( 0.2335520 -0.3579362 -0.6990164), wk = 0.0023923 k( 263) = ( 0.2381315 -0.3649546 -0.7127226), wk = 0.0023923 k( 264) = ( 0.2427109 -0.3719730 -0.7264288), wk = 0.0023923 k( 265) = ( 0.2472904 -0.3789913 -0.7401350), wk = 0.0023923 k( 266) = ( 0.2518698 -0.3860097 -0.7538412), wk = 0.0023923 k( 267) = ( 0.2564493 -0.3930280 -0.7675474), wk = 0.0023923 k( 268) = ( 0.2610287 -0.4000464 -0.7812536), wk = 0.0023923 k( 269) = ( 0.2656082 -0.4070647 -0.7949598), wk = 0.0023923 k( 270) = ( 0.2701876 -0.4140831 -0.8086660), wk = 0.0023923 k( 271) = ( 0.2747671 -0.4211015 -0.8223722), wk = 0.0023923 k( 272) = ( 0.2793465 -0.4281198 -0.8360784), wk = 0.0023923 k( 273) = ( 0.2839260 -0.4351382 -0.8497846), wk = 0.0023923 k( 274) = ( 0.2885054 -0.4421565 -0.8634908), wk = 0.0023923 k( 275) = ( 0.2930849 -0.4491749 -0.8771970), wk = 0.0023923 k( 276) = ( 0.2976643 -0.4561932 -0.8909032), wk = 0.0023923 k( 277) = ( 0.3022438 -0.4632116 -0.9046094), wk = 0.0023923 k( 278) = ( 0.3068232 -0.4702300 -0.9183156), wk = 0.0023923 k( 279) = ( 0.3114027 -0.4772483 -0.9320218), wk = 0.0023923 k( 280) = ( 0.3159821 -0.4842667 -0.9457280), wk = 0.0023923 k( 281) = ( 0.3205616 -0.4912850 -0.9594342), wk = 0.0023923 k( 282) = ( 0.3251410 -0.4983034 -0.9731404), wk = 0.0023923 k( 283) = ( 0.3297205 -0.5053217 -0.9868466), wk = 0.0023923 k( 284) = ( 0.3342999 -0.5123401 -1.0005528), wk = 0.0023923 k( 285) = ( 0.3388794 -0.5193585 -1.0142590), wk = 0.0023923 k( 286) = ( 0.3434588 -0.5263768 -1.0279652), wk = 0.0023923 k( 287) = ( 0.6565412 -0.3776799 -0.9370489), wk = 0.0023923 k( 288) = ( 0.6519370 -0.3621983 -0.9370489), wk = 0.0023923 k( 289) = ( 0.6473328 -0.3467166 -0.9370489), wk = 0.0023923 k( 290) = ( 0.6427287 -0.3312350 -0.9370489), wk = 0.0023923 k( 291) = ( 0.6381246 -0.3157533 -0.9370489), wk = 0.0023923 k( 292) = ( 0.6335204 -0.3002716 -0.9370489), wk = 0.0023923 k( 293) = ( 0.6289162 -0.2847899 -0.9370489), wk = 0.0023923 k( 294) = ( 0.6243121 -0.2693083 -0.9370489), wk = 0.0023923 k( 295) = ( 0.6197079 -0.2538266 -0.9370489), wk = 0.0023923 k( 296) = ( 0.6151038 -0.2383449 -0.9370489), wk = 0.0023923 k( 297) = ( 0.6104996 -0.2228633 -0.9370489), wk = 0.0023923 k( 298) = ( 0.6058955 -0.2073816 -0.9370489), wk = 0.0023923 k( 299) = ( 0.6012913 -0.1918999 -0.9370489), wk = 0.0023923 k( 300) = ( 0.5966872 -0.1764182 -0.9370489), wk = 0.0023923 k( 301) = ( 0.5920830 -0.1609366 -0.9370489), wk = 0.0023923 k( 302) = ( 0.5874789 -0.1454549 -0.9370489), wk = 0.0023923 k( 303) = ( 0.5828747 -0.1299732 -0.9370489), wk = 0.0023923 k( 304) = ( 0.5782706 -0.1144916 -0.9370489), wk = 0.0023923 k( 305) = ( 0.5736664 -0.0990099 -0.9370489), wk = 0.0023923 k( 306) = ( 0.5690623 -0.0835282 -0.9370489), wk = 0.0023923 k( 307) = ( 0.5644581 -0.0680465 -0.9370489), wk = 0.0023923 k( 308) = ( 0.5598540 -0.0525649 -0.9370489), wk = 0.0023923 k( 309) = ( 0.5552498 -0.0370832 -0.9370489), wk = 0.0023923 k( 310) = ( 0.5506457 -0.0216015 -0.9370489), wk = 0.0023923 k( 311) = ( 0.5460415 -0.0061199 -0.9370489), wk = 0.0023923 k( 312) = ( 0.5414374 0.0093618 -0.9370489), wk = 0.0023923 k( 313) = ( 0.5368332 0.0248435 -0.9370489), wk = 0.0023923 k( 314) = ( 0.5322291 0.0403252 -0.9370489), wk = 0.0023923 k( 315) = ( 0.5276249 0.0558068 -0.9370489), wk = 0.0023923 k( 316) = ( 0.5230208 0.0712885 -0.9370489), wk = 0.0023923 k( 317) = ( 0.5184166 0.0867702 -0.9370489), wk = 0.0023923 k( 318) = ( 0.5138124 0.1022519 -0.9370489), wk = 0.0023923 k( 319) = ( 0.5092083 0.1177335 -0.9370489), wk = 0.0023923 k( 320) = ( 0.5046042 0.1332152 -0.9370489), wk = 0.0023923 k( 321) = ( 0.5000000 0.1486969 -0.9370489), wk = 0.0023923 k( 322) = ( 0.5000000 0.1486969 -0.9370489), wk = 0.0023923 k( 323) = ( 0.5130451 0.1525764 -0.9294725), wk = 0.0023923 k( 324) = ( 0.5260902 0.1564559 -0.9218962), wk = 0.0023923 k( 325) = ( 0.5391353 0.1603354 -0.9143198), wk = 0.0023923 k( 326) = ( 0.5521804 0.1642150 -0.9067434), wk = 0.0023923 k( 327) = ( 0.5652255 0.1680945 -0.8991671), wk = 0.0023923 k( 328) = ( 0.5782706 0.1719740 -0.8915907), wk = 0.0023923 k( 329) = ( 0.5913157 0.1758536 -0.8840143), wk = 0.0023923 k( 330) = ( 0.6043608 0.1797331 -0.8764380), wk = 0.0023923 k( 331) = ( 0.6174059 0.1836126 -0.8688616), wk = 0.0023923 k( 332) = ( 0.6304510 0.1874921 -0.8612853), wk = 0.0023923 k( 333) = ( 0.6434961 0.1913717 -0.8537089), wk = 0.0023923 k( 334) = ( 0.6565412 0.1952512 -0.8461325), wk = 0.0023923 k( 335) = ( 0.6565412 0.1952512 -0.8461325), wk = 0.0023923 k( 336) = ( 0.6538879 0.1944622 -0.8302503), wk = 0.0023923 k( 337) = ( 0.6512347 0.1936731 -0.8143682), wk = 0.0023923 k( 338) = ( 0.6485814 0.1928840 -0.7984860), wk = 0.0023923 k( 339) = ( 0.6459282 0.1920950 -0.7826038), wk = 0.0023923 k( 340) = ( 0.6432750 0.1913059 -0.7667216), wk = 0.0023923 k( 341) = ( 0.6406217 0.1905169 -0.7508394), wk = 0.0023923 k( 342) = ( 0.6379685 0.1897278 -0.7349572), wk = 0.0023923 k( 343) = ( 0.6353152 0.1889388 -0.7190751), wk = 0.0023923 k( 344) = ( 0.6326620 0.1881497 -0.7031929), wk = 0.0023923 k( 345) = ( 0.6300088 0.1873606 -0.6873107), wk = 0.0023923 k( 346) = ( 0.6273555 0.1865716 -0.6714285), wk = 0.0023923 k( 347) = ( 0.6247023 0.1857825 -0.6555463), wk = 0.0023923 k( 348) = ( 0.6220490 0.1849935 -0.6396641), wk = 0.0023923 k( 349) = ( 0.6193958 0.1842044 -0.6237820), wk = 0.0023923 k( 350) = ( 0.6167426 0.1834154 -0.6078998), wk = 0.0023923 k( 351) = ( 0.6140893 0.1826263 -0.5920176), wk = 0.0023923 k( 352) = ( 0.6114361 0.1818372 -0.5761354), wk = 0.0023923 k( 353) = ( 0.6087828 0.1810482 -0.5602532), wk = 0.0023923 k( 354) = ( 0.6061296 0.1802591 -0.5443710), wk = 0.0023923 k( 355) = ( 0.6034764 0.1794701 -0.5284889), wk = 0.0023923 k( 356) = ( 0.6008231 0.1786810 -0.5126067), wk = 0.0023923 k( 357) = ( 0.5981699 0.1778920 -0.4967245), wk = 0.0023923 k( 358) = ( 0.5955166 0.1771029 -0.4808423), wk = 0.0023923 k( 359) = ( 0.5928634 0.1763138 -0.4649601), wk = 0.0023923 k( 360) = ( 0.5902102 0.1755248 -0.4490779), wk = 0.0023923 k( 361) = ( 0.5875569 0.1747357 -0.4331957), wk = 0.0023923 k( 362) = ( 0.5849037 0.1739467 -0.4173136), wk = 0.0023923 k( 363) = ( 0.5822504 0.1731576 -0.4014314), wk = 0.0023923 k( 364) = ( 0.5795972 0.1723686 -0.3855492), wk = 0.0023923 k( 365) = ( 0.5769440 0.1715795 -0.3696670), wk = 0.0023923 k( 366) = ( 0.5742907 0.1707904 -0.3537848), wk = 0.0023923 k( 367) = ( 0.5716375 0.1700014 -0.3379026), wk = 0.0023923 k( 368) = ( 0.5689842 0.1692123 -0.3220204), wk = 0.0023923 k( 369) = ( 0.5663310 0.1684233 -0.3061383), wk = 0.0023923 k( 370) = ( 0.5636778 0.1676342 -0.2902561), wk = 0.0023923 k( 371) = ( 0.5610245 0.1668452 -0.2743739), wk = 0.0023923 k( 372) = ( 0.5583713 0.1660561 -0.2584917), wk = 0.0023923 k( 373) = ( 0.5557180 0.1652670 -0.2426095), wk = 0.0023923 k( 374) = ( 0.5530648 0.1644780 -0.2267274), wk = 0.0023923 k( 375) = ( 0.5504116 0.1636889 -0.2108452), wk = 0.0023923 k( 376) = ( 0.5477583 0.1628999 -0.1949630), wk = 0.0023923 k( 377) = ( 0.5451051 0.1621108 -0.1790808), wk = 0.0023923 k( 378) = ( 0.5424518 0.1613218 -0.1631986), wk = 0.0023923 k( 379) = ( 0.5397986 0.1605327 -0.1473164), wk = 0.0023923 k( 380) = ( 0.5371454 0.1597437 -0.1314342), wk = 0.0023923 k( 381) = ( 0.5344921 0.1589546 -0.1155521), wk = 0.0023923 k( 382) = ( 0.5318389 0.1581655 -0.0996699), wk = 0.0023923 k( 383) = ( 0.5291856 0.1573765 -0.0837877), wk = 0.0023923 k( 384) = ( 0.5265324 0.1565874 -0.0679055), wk = 0.0023923 k( 385) = ( 0.5238792 0.1557984 -0.0520233), wk = 0.0023923 k( 386) = ( 0.5212259 0.1550093 -0.0361411), wk = 0.0023923 k( 387) = ( 0.5185727 0.1542203 -0.0202589), wk = 0.0023923 k( 388) = ( 0.5159194 0.1534312 -0.0043768), wk = 0.0023923 k( 389) = ( 0.5132662 0.1526421 0.0115054), wk = 0.0023923 k( 390) = ( 0.5106130 0.1518531 0.0273876), wk = 0.0023923 k( 391) = ( 0.5079597 0.1510640 0.0432698), wk = 0.0023923 k( 392) = ( 0.5053065 0.1502750 0.0591520), wk = 0.0023923 k( 393) = ( 0.5026532 0.1494859 0.0750342), wk = 0.0023923 k( 394) = ( 0.5000000 0.1486969 0.0909163), wk = 0.0023923 k( 395) = ( 0.5000000 -0.7662880 -0.4685244), wk = 0.0023923 k( 396) = ( 0.5136123 -0.7598230 -0.4645716), wk = 0.0023923 k( 397) = ( 0.5272246 -0.7533579 -0.4606187), wk = 0.0023923 k( 398) = ( 0.5408368 -0.7468928 -0.4566658), wk = 0.0023923 k( 399) = ( 0.5544491 -0.7404277 -0.4527129), wk = 0.0023923 k( 400) = ( 0.5680614 -0.7339626 -0.4487600), wk = 0.0023923 k( 401) = ( 0.5816737 -0.7274976 -0.4448071), wk = 0.0023923 k( 402) = ( 0.5952859 -0.7210325 -0.4408543), wk = 0.0023923 k( 403) = ( 0.6088982 -0.7145674 -0.4369014), wk = 0.0023923 k( 404) = ( 0.6225105 -0.7081023 -0.4329485), wk = 0.0023923 k( 405) = ( 0.6361227 -0.7016372 -0.4289956), wk = 0.0023923 k( 406) = ( 0.6497350 -0.6951722 -0.4250427), wk = 0.0023923 k( 407) = ( 0.6633473 -0.6887071 -0.4210898), wk = 0.0023923 k( 408) = ( 0.6769596 -0.6822420 -0.4171369), wk = 0.0023923 k( 409) = ( 0.6905718 -0.6757769 -0.4131841), wk = 0.0023923 k( 410) = ( 0.7041841 -0.6693118 -0.4092312), wk = 0.0023923 k( 411) = ( 0.7177964 -0.6628468 -0.4052783), wk = 0.0023923 k( 412) = ( 0.7314087 -0.6563817 -0.4013254), wk = 0.0023923 k( 413) = ( 0.7450209 -0.6499166 -0.3973725), wk = 0.0023923 k( 414) = ( 0.7586332 -0.6434515 -0.3934196), wk = 0.0023923 k( 415) = ( 0.7722455 -0.6369864 -0.3894667), wk = 0.0023923 k( 416) = ( 0.7858578 -0.6305214 -0.3855139), wk = 0.0023923 k( 417) = ( 0.7994700 -0.6240563 -0.3815610), wk = 0.0023923 k( 418) = ( 0.8130823 -0.6175912 -0.3776081), wk = 0.0023923 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023923 k( 2) = ( 0.0078125 -0.0000000 -0.0000000), wk = 0.0023923 k( 3) = ( 0.0156250 -0.0000000 -0.0000000), wk = 0.0023923 k( 4) = ( 0.0234375 -0.0000000 -0.0000000), wk = 0.0023923 k( 5) = ( 0.0312500 -0.0000000 -0.0000000), wk = 0.0023923 k( 6) = ( 0.0390625 -0.0000000 -0.0000000), wk = 0.0023923 k( 7) = ( 0.0468750 -0.0000000 -0.0000000), wk = 0.0023923 k( 8) = ( 0.0546875 -0.0000000 -0.0000000), wk = 0.0023923 k( 9) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0023923 k( 10) = ( 0.0703125 -0.0000000 -0.0000000), wk = 0.0023923 k( 11) = ( 0.0781250 -0.0000000 -0.0000000), wk = 0.0023923 k( 12) = ( 0.0859375 -0.0000000 -0.0000000), wk = 0.0023923 k( 13) = ( 0.0937500 -0.0000000 -0.0000000), wk = 0.0023923 k( 14) = ( 0.1015625 -0.0000000 -0.0000000), wk = 0.0023923 k( 15) = ( 0.1093750 -0.0000000 -0.0000000), wk = 0.0023923 k( 16) = ( 0.1171875 -0.0000000 -0.0000000), wk = 0.0023923 k( 17) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0023923 k( 18) = ( 0.1328125 -0.0000000 -0.0000000), wk = 0.0023923 k( 19) = ( 0.1406250 -0.0000000 -0.0000000), wk = 0.0023923 k( 20) = ( 0.1484375 -0.0000000 -0.0000000), wk = 0.0023923 k( 21) = ( 0.1562500 -0.0000000 -0.0000000), wk = 0.0023923 k( 22) = ( 0.1640625 -0.0000000 -0.0000000), wk = 0.0023923 k( 23) = ( 0.1718750 -0.0000000 -0.0000000), wk = 0.0023923 k( 24) = ( 0.1796875 -0.0000000 -0.0000000), wk = 0.0023923 k( 25) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0023923 k( 26) = ( 0.1953125 -0.0000000 -0.0000000), wk = 0.0023923 k( 27) = ( 0.2031250 -0.0000000 -0.0000000), wk = 0.0023923 k( 28) = ( 0.2109375 -0.0000000 -0.0000000), wk = 0.0023923 k( 29) = ( 0.2187500 -0.0000000 -0.0000000), wk = 0.0023923 k( 30) = ( 0.2265625 -0.0000000 -0.0000000), wk = 0.0023923 k( 31) = ( 0.2343750 -0.0000000 -0.0000000), wk = 0.0023923 k( 32) = ( 0.2421875 -0.0000000 -0.0000000), wk = 0.0023923 k( 33) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0023923 k( 34) = ( 0.2578125 -0.0000000 -0.0000000), wk = 0.0023923 k( 35) = ( 0.2656250 -0.0000000 -0.0000000), wk = 0.0023923 k( 36) = ( 0.2734375 -0.0000000 -0.0000000), wk = 0.0023923 k( 37) = ( 0.2812500 -0.0000000 -0.0000000), wk = 0.0023923 k( 38) = ( 0.2890625 -0.0000000 -0.0000000), wk = 0.0023923 k( 39) = ( 0.2968750 -0.0000000 -0.0000000), wk = 0.0023923 k( 40) = ( 0.3046875 -0.0000000 -0.0000000), wk = 0.0023923 k( 41) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0023923 k( 42) = ( 0.3203125 0.0000000 -0.0000000), wk = 0.0023923 k( 43) = ( 0.3281250 -0.0000000 -0.0000000), wk = 0.0023923 k( 44) = ( 0.3359375 -0.0000000 -0.0000000), wk = 0.0023923 k( 45) = ( 0.3437500 -0.0000000 -0.0000000), wk = 0.0023923 k( 46) = ( 0.3515625 -0.0000000 -0.0000000), wk = 0.0023923 k( 47) = ( 0.3593750 -0.0000000 -0.0000000), wk = 0.0023923 k( 48) = ( 0.3671875 -0.0000000 -0.0000000), wk = 0.0023923 k( 49) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0023923 k( 50) = ( 0.3828125 0.0000000 -0.0000000), wk = 0.0023923 k( 51) = ( 0.3906250 -0.0000000 -0.0000000), wk = 0.0023923 k( 52) = ( 0.3984375 0.0000000 -0.0000000), wk = 0.0023923 k( 53) = ( 0.4062500 -0.0000000 -0.0000000), wk = 0.0023923 k( 54) = ( 0.4140625 -0.0000000 -0.0000000), wk = 0.0023923 k( 55) = ( 0.4218750 -0.0000000 -0.0000000), wk = 0.0023923 k( 56) = ( 0.4296875 -0.0000000 -0.0000000), wk = 0.0023923 k( 57) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0023923 k( 58) = ( 0.4453125 -0.0000000 -0.0000000), wk = 0.0023923 k( 59) = ( 0.4531250 -0.0000000 -0.0000000), wk = 0.0023923 k( 60) = ( 0.4609375 -0.0000000 -0.0000000), wk = 0.0023923 k( 61) = ( 0.4687500 -0.0000000 -0.0000000), wk = 0.0023923 k( 62) = ( 0.4765625 -0.0000000 -0.0000000), wk = 0.0023923 k( 63) = ( 0.4843750 -0.0000000 -0.0000000), wk = 0.0023923 k( 64) = ( 0.4921875 -0.0000000 -0.0000000), wk = 0.0023923 k( 65) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023923 k( 66) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023923 k( 67) = ( 0.5000000 0.0045590 -0.0045590), wk = 0.0023923 k( 68) = ( 0.5000000 0.0091179 -0.0091179), wk = 0.0023923 k( 69) = ( 0.5000000 0.0136769 -0.0136769), wk = 0.0023923 k( 70) = ( 0.5000000 0.0182359 -0.0182359), wk = 0.0023923 k( 71) = ( 0.5000000 0.0227948 -0.0227948), wk = 0.0023923 k( 72) = ( 0.5000000 0.0273538 -0.0273538), wk = 0.0023923 k( 73) = ( 0.5000000 0.0319128 -0.0319128), wk = 0.0023923 k( 74) = ( 0.5000000 0.0364717 -0.0364717), wk = 0.0023923 k( 75) = ( 0.5000000 0.0410307 -0.0410307), wk = 0.0023923 k( 76) = ( 0.5000000 0.0455897 -0.0455897), wk = 0.0023923 k( 77) = ( 0.5000000 0.0501486 -0.0501487), wk = 0.0023923 k( 78) = ( 0.5000000 0.0547076 -0.0547076), wk = 0.0023923 k( 79) = ( 0.5000000 0.0592666 -0.0592666), wk = 0.0023923 k( 80) = ( 0.5000000 0.0638255 -0.0638255), wk = 0.0023923 k( 81) = ( 0.5000000 0.0683845 -0.0683845), wk = 0.0023923 k( 82) = ( 0.5000000 0.0729435 -0.0729435), wk = 0.0023923 k( 83) = ( 0.5000000 0.0775025 -0.0775025), wk = 0.0023923 k( 84) = ( 0.5000000 0.0820614 -0.0820614), wk = 0.0023923 k( 85) = ( 0.5000000 0.0866204 -0.0866204), wk = 0.0023923 k( 86) = ( 0.5000000 0.0911794 -0.0911794), wk = 0.0023923 k( 87) = ( 0.5000000 0.0957383 -0.0957383), wk = 0.0023923 k( 88) = ( 0.5000000 0.1002973 -0.1002973), wk = 0.0023923 k( 89) = ( 0.5000000 0.1048563 -0.1048563), wk = 0.0023923 k( 90) = ( 0.5000000 0.1094152 -0.1094152), wk = 0.0023923 k( 91) = ( 0.5000000 0.1139742 -0.1139742), wk = 0.0023923 k( 92) = ( 0.5000000 0.1185332 -0.1185332), wk = 0.0023923 k( 93) = ( 0.5000000 0.1230921 -0.1230921), wk = 0.0023923 k( 94) = ( 0.5000000 0.1276511 -0.1276511), wk = 0.0023923 k( 95) = ( 0.5000000 0.1322101 -0.1322101), wk = 0.0023923 k( 96) = ( 0.5000000 0.1367690 -0.1367690), wk = 0.0023923 k( 97) = ( 0.5000000 0.1413280 -0.1413280), wk = 0.0023923 k( 98) = ( 0.5000000 0.1458870 -0.1458870), wk = 0.0023923 k( 99) = ( 0.5000000 0.1504459 -0.1504460), wk = 0.0023923 k( 100) = ( 0.5000000 0.1550049 -0.1550049), wk = 0.0023923 k( 101) = ( 0.5000000 0.1595639 -0.1595639), wk = 0.0023923 k( 102) = ( 0.5000000 0.1641228 -0.1641229), wk = 0.0023923 k( 103) = ( 0.5000000 0.1686818 -0.1686818), wk = 0.0023923 k( 104) = ( 0.5000000 0.1732408 -0.1732408), wk = 0.0023923 k( 105) = ( 0.5000000 0.1777998 -0.1777998), wk = 0.0023923 k( 106) = ( 0.5000000 0.1823587 -0.1823587), wk = 0.0023923 k( 107) = ( 0.5000000 0.1869177 -0.1869177), wk = 0.0023923 k( 108) = ( 0.8130823 0.5000000 0.1869177), wk = 0.0023923 k( 109) = ( 0.8084782 0.5000000 0.1915218), wk = 0.0023923 k( 110) = ( 0.8038740 0.5000000 0.1961260), wk = 0.0023923 k( 111) = ( 0.7992698 0.5000000 0.2007301), wk = 0.0023923 k( 112) = ( 0.7946657 0.5000000 0.2053343), wk = 0.0023923 k( 113) = ( 0.7900616 0.5000000 0.2099384), wk = 0.0023923 k( 114) = ( 0.7854574 0.5000000 0.2145426), wk = 0.0023923 k( 115) = ( 0.7808533 0.5000000 0.2191467), wk = 0.0023923 k( 116) = ( 0.7762491 0.5000000 0.2237509), wk = 0.0023923 k( 117) = ( 0.7716449 0.5000000 0.2283551), wk = 0.0023923 k( 118) = ( 0.7670408 0.5000000 0.2329592), wk = 0.0023923 k( 119) = ( 0.7624366 0.5000000 0.2375634), wk = 0.0023923 k( 120) = ( 0.7578325 0.5000000 0.2421675), wk = 0.0023923 k( 121) = ( 0.7532283 0.5000000 0.2467717), wk = 0.0023923 k( 122) = ( 0.7486242 0.5000000 0.2513758), wk = 0.0023923 k( 123) = ( 0.7440200 0.5000000 0.2559800), wk = 0.0023923 k( 124) = ( 0.7394159 0.5000000 0.2605841), wk = 0.0023923 k( 125) = ( 0.7348117 0.5000000 0.2651883), wk = 0.0023923 k( 126) = ( 0.7302076 0.5000000 0.2697924), wk = 0.0023923 k( 127) = ( 0.7256034 0.5000000 0.2743966), wk = 0.0023923 k( 128) = ( 0.7209993 0.5000000 0.2790007), wk = 0.0023923 k( 129) = ( 0.7163951 0.5000000 0.2836049), wk = 0.0023923 k( 130) = ( 0.7117910 0.5000000 0.2882090), wk = 0.0023923 k( 131) = ( 0.7071868 0.5000000 0.2928132), wk = 0.0023923 k( 132) = ( 0.7025827 0.5000000 0.2974173), wk = 0.0023923 k( 133) = ( 0.6979785 0.5000000 0.3020215), wk = 0.0023923 k( 134) = ( 0.6933744 0.5000000 0.3066256), wk = 0.0023923 k( 135) = ( 0.6887702 0.5000000 0.3112298), wk = 0.0023923 k( 136) = ( 0.6841661 0.5000000 0.3158339), wk = 0.0023923 k( 137) = ( 0.6795619 0.5000000 0.3204381), wk = 0.0023923 k( 138) = ( 0.6749578 0.5000000 0.3250422), wk = 0.0023923 k( 139) = ( 0.6703536 0.5000000 0.3296464), wk = 0.0023923 k( 140) = ( 0.6657495 0.5000000 0.3342505), wk = 0.0023923 k( 141) = ( 0.6611453 0.5000000 0.3388547), wk = 0.0023923 k( 142) = ( 0.6565412 0.5000000 0.3434588), wk = 0.0023923 k( 143) = ( 0.6519370 0.5000000 0.3480630), wk = 0.0023923 k( 144) = ( 0.6473328 0.5000000 0.3526671), wk = 0.0023923 k( 145) = ( 0.6427287 0.5000000 0.3572713), wk = 0.0023923 k( 146) = ( 0.6381246 0.5000000 0.3618754), wk = 0.0023923 k( 147) = ( 0.6335204 0.5000000 0.3664796), wk = 0.0023923 k( 148) = ( 0.6289162 0.5000000 0.3710838), wk = 0.0023923 k( 149) = ( 0.6243121 0.5000000 0.3756879), wk = 0.0023923 k( 150) = ( 0.6197079 0.5000000 0.3802921), wk = 0.0023923 k( 151) = ( 0.6151038 0.5000000 0.3848962), wk = 0.0023923 k( 152) = ( 0.6104996 0.5000000 0.3895004), wk = 0.0023923 k( 153) = ( 0.6058955 0.5000000 0.3941045), wk = 0.0023923 k( 154) = ( 0.6012913 0.5000000 0.3987087), wk = 0.0023923 k( 155) = ( 0.5966872 0.5000000 0.4033128), wk = 0.0023923 k( 156) = ( 0.5920830 0.5000000 0.4079170), wk = 0.0023923 k( 157) = ( 0.5874789 0.5000000 0.4125211), wk = 0.0023923 k( 158) = ( 0.5828747 0.5000000 0.4171253), wk = 0.0023923 k( 159) = ( 0.5782706 0.5000000 0.4217294), wk = 0.0023923 k( 160) = ( 0.5736664 0.5000000 0.4263336), wk = 0.0023923 k( 161) = ( 0.5690623 0.5000000 0.4309377), wk = 0.0023923 k( 162) = ( 0.5644581 0.5000000 0.4355419), wk = 0.0023923 k( 163) = ( 0.5598540 0.5000000 0.4401460), wk = 0.0023923 k( 164) = ( 0.5552498 0.5000000 0.4447502), wk = 0.0023923 k( 165) = ( 0.5506457 0.5000000 0.4493543), wk = 0.0023923 k( 166) = ( 0.5460415 0.5000000 0.4539585), wk = 0.0023923 k( 167) = ( 0.5414374 0.5000000 0.4585626), wk = 0.0023923 k( 168) = ( 0.5368332 0.5000000 0.4631668), wk = 0.0023923 k( 169) = ( 0.5322291 0.5000000 0.4677709), wk = 0.0023923 k( 170) = ( 0.5276249 0.5000000 0.4723751), wk = 0.0023923 k( 171) = ( 0.5230208 0.5000000 0.4769792), wk = 0.0023923 k( 172) = ( 0.5184166 0.5000000 0.4815834), wk = 0.0023923 k( 173) = ( 0.5138124 0.5000000 0.4861875), wk = 0.0023923 k( 174) = ( 0.5092083 0.5000000 0.4907917), wk = 0.0023923 k( 175) = ( 0.5046042 0.5000000 0.4953958), wk = 0.0023923 k( 176) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023923 k( 177) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023923 k( 178) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0023923 k( 179) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0023923 k( 180) = ( 0.4545455 0.4545455 0.4545454), wk = 0.0023923 k( 181) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0023923 k( 182) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0023923 k( 183) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0023923 k( 184) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0023923 k( 185) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0023923 k( 186) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0023923 k( 187) = ( 0.3484849 0.3484849 0.3484848), wk = 0.0023923 k( 188) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0023923 k( 189) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0023923 k( 190) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0023923 k( 191) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0023923 k( 192) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0023923 k( 193) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0023923 k( 194) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0023923 k( 195) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0023923 k( 196) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0023923 k( 197) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0023923 k( 198) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0023923 k( 199) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0023923 k( 200) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0023923 k( 201) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0023923 k( 202) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0023923 k( 203) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0023923 k( 204) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0023923 k( 205) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0023923 k( 206) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0023923 k( 207) = ( 0.0454546 0.0454545 0.0454545), wk = 0.0023923 k( 208) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0023923 k( 209) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0023923 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023923 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023923 k( 212) = ( 0.0045794 -0.0000000 -0.0045795), wk = 0.0023923 k( 213) = ( 0.0091589 -0.0000000 -0.0091589), wk = 0.0023923 k( 214) = ( 0.0137383 -0.0000000 -0.0137384), wk = 0.0023923 k( 215) = ( 0.0183178 -0.0000000 -0.0183178), wk = 0.0023923 k( 216) = ( 0.0228973 0.0000000 -0.0228973), wk = 0.0023923 k( 217) = ( 0.0274767 -0.0000000 -0.0274767), wk = 0.0023923 k( 218) = ( 0.0320562 -0.0000000 -0.0320562), wk = 0.0023923 k( 219) = ( 0.0366356 -0.0000000 -0.0366356), wk = 0.0023923 k( 220) = ( 0.0412151 -0.0000000 -0.0412151), wk = 0.0023923 k( 221) = ( 0.0457945 0.0000000 -0.0457945), wk = 0.0023923 k( 222) = ( 0.0503740 -0.0000000 -0.0503740), wk = 0.0023923 k( 223) = ( 0.0549534 -0.0000000 -0.0549534), wk = 0.0023923 k( 224) = ( 0.0595329 -0.0000000 -0.0595329), wk = 0.0023923 k( 225) = ( 0.0641123 -0.0000000 -0.0641123), wk = 0.0023923 k( 226) = ( 0.0686918 -0.0000000 -0.0686918), wk = 0.0023923 k( 227) = ( 0.0732712 -0.0000000 -0.0732712), wk = 0.0023923 k( 228) = ( 0.0778507 -0.0000000 -0.0778507), wk = 0.0023923 k( 229) = ( 0.0824301 -0.0000000 -0.0824301), wk = 0.0023923 k( 230) = ( 0.0870096 -0.0000000 -0.0870096), wk = 0.0023923 k( 231) = ( 0.0915890 -0.0000000 -0.0915890), wk = 0.0023923 k( 232) = ( 0.0961685 -0.0000000 -0.0961685), wk = 0.0023923 k( 233) = ( 0.1007479 -0.0000000 -0.1007479), wk = 0.0023923 k( 234) = ( 0.1053274 -0.0000000 -0.1053274), wk = 0.0023923 k( 235) = ( 0.1099068 -0.0000000 -0.1099068), wk = 0.0023923 k( 236) = ( 0.1144863 -0.0000000 -0.1144863), wk = 0.0023923 k( 237) = ( 0.1190657 -0.0000000 -0.1190657), wk = 0.0023923 k( 238) = ( 0.1236452 -0.0000000 -0.1236452), wk = 0.0023923 k( 239) = ( 0.1282246 -0.0000000 -0.1282246), wk = 0.0023923 k( 240) = ( 0.1328041 -0.0000000 -0.1328041), wk = 0.0023923 k( 241) = ( 0.1373835 -0.0000000 -0.1373835), wk = 0.0023923 k( 242) = ( 0.1419630 -0.0000000 -0.1419630), wk = 0.0023923 k( 243) = ( 0.1465424 -0.0000000 -0.1465424), wk = 0.0023923 k( 244) = ( 0.1511219 -0.0000000 -0.1511219), wk = 0.0023923 k( 245) = ( 0.1557013 -0.0000000 -0.1557013), wk = 0.0023923 k( 246) = ( 0.1602808 -0.0000000 -0.1602808), wk = 0.0023923 k( 247) = ( 0.1648603 -0.0000000 -0.1648603), wk = 0.0023923 k( 248) = ( 0.1694397 0.0000000 -0.1694397), wk = 0.0023923 k( 249) = ( 0.1740192 -0.0000000 -0.1740192), wk = 0.0023923 k( 250) = ( 0.1785986 -0.0000000 -0.1785986), wk = 0.0023923 k( 251) = ( 0.1831781 0.0000000 -0.1831781), wk = 0.0023923 k( 252) = ( 0.1877575 -0.0000000 -0.1877575), wk = 0.0023923 k( 253) = ( 0.1923370 -0.0000000 -0.1923370), wk = 0.0023923 k( 254) = ( 0.1969164 -0.0000000 -0.1969164), wk = 0.0023923 k( 255) = ( 0.2014959 -0.0000000 -0.2014959), wk = 0.0023923 k( 256) = ( 0.2060753 -0.0000000 -0.2060753), wk = 0.0023923 k( 257) = ( 0.2106548 -0.0000000 -0.2106548), wk = 0.0023923 k( 258) = ( 0.2152342 -0.0000000 -0.2152342), wk = 0.0023923 k( 259) = ( 0.2198137 -0.0000000 -0.2198137), wk = 0.0023923 k( 260) = ( 0.2243931 -0.0000000 -0.2243931), wk = 0.0023923 k( 261) = ( 0.2289726 -0.0000000 -0.2289726), wk = 0.0023923 k( 262) = ( 0.2335520 -0.0000000 -0.2335520), wk = 0.0023923 k( 263) = ( 0.2381315 -0.0000000 -0.2381315), wk = 0.0023923 k( 264) = ( 0.2427109 -0.0000000 -0.2427109), wk = 0.0023923 k( 265) = ( 0.2472904 -0.0000000 -0.2472904), wk = 0.0023923 k( 266) = ( 0.2518698 -0.0000000 -0.2518698), wk = 0.0023923 k( 267) = ( 0.2564493 -0.0000000 -0.2564493), wk = 0.0023923 k( 268) = ( 0.2610287 -0.0000000 -0.2610287), wk = 0.0023923 k( 269) = ( 0.2656082 -0.0000000 -0.2656082), wk = 0.0023923 k( 270) = ( 0.2701876 -0.0000000 -0.2701876), wk = 0.0023923 k( 271) = ( 0.2747671 -0.0000000 -0.2747671), wk = 0.0023923 k( 272) = ( 0.2793465 -0.0000000 -0.2793465), wk = 0.0023923 k( 273) = ( 0.2839260 -0.0000000 -0.2839260), wk = 0.0023923 k( 274) = ( 0.2885054 -0.0000000 -0.2885054), wk = 0.0023923 k( 275) = ( 0.2930849 -0.0000000 -0.2930849), wk = 0.0023923 k( 276) = ( 0.2976643 -0.0000000 -0.2976643), wk = 0.0023923 k( 277) = ( 0.3022438 -0.0000000 -0.3022438), wk = 0.0023923 k( 278) = ( 0.3068232 -0.0000000 -0.3068232), wk = 0.0023923 k( 279) = ( 0.3114027 -0.0000000 -0.3114027), wk = 0.0023923 k( 280) = ( 0.3159821 -0.0000000 -0.3159821), wk = 0.0023923 k( 281) = ( 0.3205616 -0.0000000 -0.3205616), wk = 0.0023923 k( 282) = ( 0.3251410 -0.0000000 -0.3251410), wk = 0.0023923 k( 283) = ( 0.3297205 -0.0000000 -0.3297205), wk = 0.0023923 k( 284) = ( 0.3342999 -0.0000000 -0.3342999), wk = 0.0023923 k( 285) = ( 0.3388794 -0.0000000 -0.3388794), wk = 0.0023923 k( 286) = ( 0.3434588 -0.0000000 -0.3434589), wk = 0.0023923 k( 287) = ( 0.6565412 0.3434588 -0.0000000), wk = 0.0023923 k( 288) = ( 0.6519370 0.3480630 -0.0000000), wk = 0.0023923 k( 289) = ( 0.6473328 0.3526671 -0.0000000), wk = 0.0023923 k( 290) = ( 0.6427287 0.3572713 -0.0000000), wk = 0.0023923 k( 291) = ( 0.6381246 0.3618754 -0.0000000), wk = 0.0023923 k( 292) = ( 0.6335204 0.3664796 -0.0000000), wk = 0.0023923 k( 293) = ( 0.6289162 0.3710838 -0.0000000), wk = 0.0023923 k( 294) = ( 0.6243121 0.3756879 -0.0000000), wk = 0.0023923 k( 295) = ( 0.6197079 0.3802921 -0.0000000), wk = 0.0023923 k( 296) = ( 0.6151038 0.3848962 -0.0000000), wk = 0.0023923 k( 297) = ( 0.6104996 0.3895004 -0.0000000), wk = 0.0023923 k( 298) = ( 0.6058955 0.3941045 -0.0000000), wk = 0.0023923 k( 299) = ( 0.6012913 0.3987087 -0.0000000), wk = 0.0023923 k( 300) = ( 0.5966872 0.4033128 -0.0000000), wk = 0.0023923 k( 301) = ( 0.5920830 0.4079170 -0.0000000), wk = 0.0023923 k( 302) = ( 0.5874789 0.4125211 -0.0000000), wk = 0.0023923 k( 303) = ( 0.5828747 0.4171253 -0.0000000), wk = 0.0023923 k( 304) = ( 0.5782706 0.4217294 -0.0000000), wk = 0.0023923 k( 305) = ( 0.5736664 0.4263336 -0.0000000), wk = 0.0023923 k( 306) = ( 0.5690623 0.4309377 -0.0000000), wk = 0.0023923 k( 307) = ( 0.5644581 0.4355419 -0.0000000), wk = 0.0023923 k( 308) = ( 0.5598540 0.4401460 -0.0000000), wk = 0.0023923 k( 309) = ( 0.5552498 0.4447502 -0.0000000), wk = 0.0023923 k( 310) = ( 0.5506457 0.4493543 -0.0000000), wk = 0.0023923 k( 311) = ( 0.5460415 0.4539585 -0.0000000), wk = 0.0023923 k( 312) = ( 0.5414374 0.4585626 -0.0000000), wk = 0.0023923 k( 313) = ( 0.5368332 0.4631668 -0.0000000), wk = 0.0023923 k( 314) = ( 0.5322291 0.4677709 -0.0000000), wk = 0.0023923 k( 315) = ( 0.5276249 0.4723751 -0.0000000), wk = 0.0023923 k( 316) = ( 0.5230208 0.4769792 -0.0000000), wk = 0.0023923 k( 317) = ( 0.5184166 0.4815834 -0.0000000), wk = 0.0023923 k( 318) = ( 0.5138124 0.4861876 -0.0000000), wk = 0.0023923 k( 319) = ( 0.5092083 0.4907917 -0.0000000), wk = 0.0023923 k( 320) = ( 0.5046042 0.4953959 -0.0000000), wk = 0.0023923 k( 321) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023923 k( 322) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023923 k( 323) = ( 0.5130451 0.5130451 0.0155765), wk = 0.0023923 k( 324) = ( 0.5260902 0.5260902 0.0311529), wk = 0.0023923 k( 325) = ( 0.5391353 0.5391353 0.0467294), wk = 0.0023923 k( 326) = ( 0.5521804 0.5521804 0.0623059), wk = 0.0023923 k( 327) = ( 0.5652255 0.5652255 0.0778824), wk = 0.0023923 k( 328) = ( 0.5782706 0.5782706 0.0934588), wk = 0.0023923 k( 329) = ( 0.5913157 0.5913157 0.1090353), wk = 0.0023923 k( 330) = ( 0.6043608 0.6043608 0.1246118), wk = 0.0023923 k( 331) = ( 0.6174059 0.6174059 0.1401883), wk = 0.0023923 k( 332) = ( 0.6304510 0.6304510 0.1557647), wk = 0.0023923 k( 333) = ( 0.6434961 0.6434961 0.1713412), wk = 0.0023923 k( 334) = ( 0.6565412 0.6565412 0.1869177), wk = 0.0023923 k( 335) = ( 0.6565412 0.6565412 0.1869177), wk = 0.0023923 k( 336) = ( 0.6538879 0.6538879 0.1922242), wk = 0.0023923 k( 337) = ( 0.6512347 0.6512347 0.1975307), wk = 0.0023923 k( 338) = ( 0.6485814 0.6485814 0.2028371), wk = 0.0023923 k( 339) = ( 0.6459282 0.6459282 0.2081436), wk = 0.0023923 k( 340) = ( 0.6432750 0.6432750 0.2134501), wk = 0.0023923 k( 341) = ( 0.6406217 0.6406217 0.2187566), wk = 0.0023923 k( 342) = ( 0.6379685 0.6379685 0.2240630), wk = 0.0023923 k( 343) = ( 0.6353152 0.6353152 0.2293695), wk = 0.0023923 k( 344) = ( 0.6326620 0.6326620 0.2346760), wk = 0.0023923 k( 345) = ( 0.6300088 0.6300088 0.2399825), wk = 0.0023923 k( 346) = ( 0.6273555 0.6273555 0.2452890), wk = 0.0023923 k( 347) = ( 0.6247023 0.6247023 0.2505954), wk = 0.0023923 k( 348) = ( 0.6220490 0.6220490 0.2559019), wk = 0.0023923 k( 349) = ( 0.6193958 0.6193958 0.2612084), wk = 0.0023923 k( 350) = ( 0.6167426 0.6167426 0.2665149), wk = 0.0023923 k( 351) = ( 0.6140893 0.6140893 0.2718214), wk = 0.0023923 k( 352) = ( 0.6114361 0.6114361 0.2771278), wk = 0.0023923 k( 353) = ( 0.6087828 0.6087828 0.2824343), wk = 0.0023923 k( 354) = ( 0.6061296 0.6061296 0.2877408), wk = 0.0023923 k( 355) = ( 0.6034764 0.6034764 0.2930473), wk = 0.0023923 k( 356) = ( 0.6008231 0.6008231 0.2983538), wk = 0.0023923 k( 357) = ( 0.5981699 0.5981699 0.3036603), wk = 0.0023923 k( 358) = ( 0.5955166 0.5955166 0.3089667), wk = 0.0023923 k( 359) = ( 0.5928634 0.5928634 0.3142732), wk = 0.0023923 k( 360) = ( 0.5902102 0.5902102 0.3195797), wk = 0.0023923 k( 361) = ( 0.5875569 0.5875569 0.3248862), wk = 0.0023923 k( 362) = ( 0.5849037 0.5849037 0.3301927), wk = 0.0023923 k( 363) = ( 0.5822504 0.5822504 0.3354991), wk = 0.0023923 k( 364) = ( 0.5795972 0.5795972 0.3408056), wk = 0.0023923 k( 365) = ( 0.5769440 0.5769440 0.3461121), wk = 0.0023923 k( 366) = ( 0.5742907 0.5742907 0.3514186), wk = 0.0023923 k( 367) = ( 0.5716375 0.5716375 0.3567250), wk = 0.0023923 k( 368) = ( 0.5689842 0.5689842 0.3620315), wk = 0.0023923 k( 369) = ( 0.5663310 0.5663310 0.3673380), wk = 0.0023923 k( 370) = ( 0.5636778 0.5636778 0.3726445), wk = 0.0023923 k( 371) = ( 0.5610245 0.5610245 0.3779510), wk = 0.0023923 k( 372) = ( 0.5583713 0.5583713 0.3832574), wk = 0.0023923 k( 373) = ( 0.5557180 0.5557180 0.3885639), wk = 0.0023923 k( 374) = ( 0.5530648 0.5530648 0.3938704), wk = 0.0023923 k( 375) = ( 0.5504116 0.5504116 0.3991769), wk = 0.0023923 k( 376) = ( 0.5477583 0.5477583 0.4044834), wk = 0.0023923 k( 377) = ( 0.5451051 0.5451051 0.4097898), wk = 0.0023923 k( 378) = ( 0.5424518 0.5424518 0.4150963), wk = 0.0023923 k( 379) = ( 0.5397986 0.5397986 0.4204028), wk = 0.0023923 k( 380) = ( 0.5371454 0.5371454 0.4257093), wk = 0.0023923 k( 381) = ( 0.5344921 0.5344921 0.4310158), wk = 0.0023923 k( 382) = ( 0.5318389 0.5318389 0.4363222), wk = 0.0023923 k( 383) = ( 0.5291856 0.5291856 0.4416287), wk = 0.0023923 k( 384) = ( 0.5265324 0.5265324 0.4469352), wk = 0.0023923 k( 385) = ( 0.5238792 0.5238792 0.4522417), wk = 0.0023923 k( 386) = ( 0.5212259 0.5212259 0.4575482), wk = 0.0023923 k( 387) = ( 0.5185727 0.5185727 0.4628546), wk = 0.0023923 k( 388) = ( 0.5159194 0.5159194 0.4681611), wk = 0.0023923 k( 389) = ( 0.5132662 0.5132662 0.4734676), wk = 0.0023923 k( 390) = ( 0.5106130 0.5106130 0.4787741), wk = 0.0023923 k( 391) = ( 0.5079597 0.5079597 0.4840806), wk = 0.0023923 k( 392) = ( 0.5053065 0.5053065 0.4893870), wk = 0.0023923 k( 393) = ( 0.5026532 0.5026532 0.4946935), wk = 0.0023923 k( 394) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023923 k( 395) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023923 k( 396) = ( 0.5136123 0.0149330 0.0149330), wk = 0.0023923 k( 397) = ( 0.5272246 0.0298660 0.0298660), wk = 0.0023923 k( 398) = ( 0.5408368 0.0447990 0.0447990), wk = 0.0023923 k( 399) = ( 0.5544491 0.0597320 0.0597320), wk = 0.0023923 k( 400) = ( 0.5680614 0.0746650 0.0746650), wk = 0.0023923 k( 401) = ( 0.5816737 0.0895980 0.0895980), wk = 0.0023923 k( 402) = ( 0.5952859 0.1045309 0.1045309), wk = 0.0023923 k( 403) = ( 0.6088982 0.1194639 0.1194639), wk = 0.0023923 k( 404) = ( 0.6225105 0.1343969 0.1343969), wk = 0.0023923 k( 405) = ( 0.6361227 0.1493299 0.1493299), wk = 0.0023923 k( 406) = ( 0.6497350 0.1642629 0.1642629), wk = 0.0023923 k( 407) = ( 0.6633473 0.1791959 0.1791959), wk = 0.0023923 k( 408) = ( 0.6769596 0.1941289 0.1941289), wk = 0.0023923 k( 409) = ( 0.6905718 0.2090619 0.2090619), wk = 0.0023923 k( 410) = ( 0.7041841 0.2239949 0.2239949), wk = 0.0023923 k( 411) = ( 0.7177964 0.2389279 0.2389279), wk = 0.0023923 k( 412) = ( 0.7314087 0.2538609 0.2538609), wk = 0.0023923 k( 413) = ( 0.7450209 0.2687939 0.2687939), wk = 0.0023923 k( 414) = ( 0.7586332 0.2837269 0.2837269), wk = 0.0023923 k( 415) = ( 0.7722455 0.2986599 0.2986599), wk = 0.0023923 k( 416) = ( 0.7858578 0.3135929 0.3135929), wk = 0.0023923 k( 417) = ( 0.7994700 0.3285258 0.3285258), wk = 0.0023923 k( 418) = ( 0.8130823 0.3434588 0.3434588), wk = 0.0023923 Dense grid: 33677 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 244, 36) NL pseudopotentials 0.14 Mb ( 122, 76) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 936) G-vector shells 0.01 Mb ( 789) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.54 Mb ( 244, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.08 Mb ( 76, 2, 36) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./LiGaO2.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.6 secs Computing kpt #: 7 total cpu time spent up to now is 6.1 secs Computing kpt #: 8 total cpu time spent up to now is 6.5 secs Computing kpt #: 9 total cpu time spent up to now is 6.9 secs Computing kpt #: 10 total cpu time spent up to now is 7.3 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.1 secs Computing kpt #: 13 total cpu time spent up to now is 8.5 secs Computing kpt #: 14 total cpu time spent up to now is 9.0 secs Computing kpt #: 15 total cpu time spent up to now is 9.3 secs Computing kpt #: 16 total cpu time spent up to now is 9.7 secs Computing kpt #: 17 total cpu time spent up to now is 10.1 secs Computing kpt #: 18 total cpu time spent up to now is 10.5 secs Computing kpt #: 19 total cpu time spent up to now is 10.8 secs Computing kpt #: 20 total cpu time spent up to now is 11.2 secs Computing kpt #: 21 total cpu time spent up to now is 11.5 secs Computing kpt #: 22 total cpu time spent up to now is 11.9 secs Computing kpt #: 23 total cpu time spent up to now is 12.2 secs Computing kpt #: 24 total cpu time spent up to now is 12.6 secs Computing kpt #: 25 total cpu time spent up to now is 12.9 secs Computing kpt #: 26 total cpu time spent up to now is 13.3 secs Computing kpt #: 27 total cpu time spent up to now is 13.7 secs Computing kpt #: 28 total cpu time spent up to now is 14.0 secs Computing kpt #: 29 total cpu time spent up to now is 14.4 secs Computing kpt #: 30 total cpu time spent up to now is 14.7 secs Computing kpt #: 31 total cpu time spent up to now is 15.1 secs Computing kpt #: 32 total cpu time spent up to now is 15.5 secs Computing kpt #: 33 total cpu time spent up to now is 15.8 secs Computing kpt #: 34 total cpu time spent up to now is 16.2 secs Computing kpt #: 35 total cpu time spent up to now is 16.6 secs Computing kpt #: 36 total cpu time spent up to now is 16.9 secs Computing kpt #: 37 total cpu time spent up to now is 17.3 secs Computing kpt #: 38 total cpu time spent up to now is 17.6 secs Computing kpt #: 39 total cpu time spent up to now is 18.0 secs Computing kpt #: 40 total cpu time spent up to now is 18.4 secs Computing kpt #: 41 total cpu time spent up to now is 18.7 secs Computing kpt #: 42 total cpu time spent up to now is 19.1 secs Computing kpt #: 43 total cpu time spent up to now is 19.5 secs Computing kpt #: 44 total cpu time spent up to now is 19.8 secs Computing kpt #: 45 total cpu time spent up to now is 20.2 secs Computing kpt #: 46 total cpu time spent up to now is 20.6 secs Computing kpt #: 47 total cpu time spent up to now is 21.0 secs Computing kpt #: 48 total cpu time spent up to now is 21.3 secs Computing kpt #: 49 total cpu time spent up to now is 21.7 secs Computing kpt #: 50 total cpu time spent up to now is 22.1 secs Computing kpt #: 51 total cpu time spent up to now is 22.5 secs Computing kpt #: 52 total cpu time spent up to now is 22.8 secs Computing kpt #: 53 total cpu time spent up to now is 23.2 secs Computing kpt #: 54 total cpu time spent up to now is 23.6 secs Computing kpt #: 55 total cpu time spent up to now is 24.0 secs Computing kpt #: 56 total cpu time spent up to now is 24.3 secs Computing kpt #: 57 total cpu time spent up to now is 24.7 secs Computing kpt #: 58 total cpu time spent up to now is 25.1 secs Computing kpt #: 59 total cpu time spent up to now is 25.5 secs Computing kpt #: 60 total cpu time spent up to now is 25.9 secs Computing kpt #: 61 total cpu time spent up to now is 26.2 secs Computing kpt #: 62 total cpu time spent up to now is 26.6 secs Computing kpt #: 63 total cpu time spent up to now is 27.0 secs Computing kpt #: 64 total cpu time spent up to now is 27.4 secs Computing kpt #: 65 total cpu time spent up to now is 27.7 secs Computing kpt #: 66 total cpu time spent up to now is 28.1 secs Computing kpt #: 67 total cpu time spent up to now is 28.5 secs Computing kpt #: 68 total cpu time spent up to now is 28.8 secs Computing kpt #: 69 total cpu time spent up to now is 29.2 secs Computing kpt #: 70 total cpu time spent up to now is 29.6 secs Computing kpt #: 71 total cpu time spent up to now is 30.0 secs Computing kpt #: 72 total cpu time spent up to now is 30.3 secs Computing kpt #: 73 total cpu time spent up to now is 30.7 secs Computing kpt #: 74 total cpu time spent up to now is 31.1 secs Computing kpt #: 75 total cpu time spent up to now is 31.5 secs Computing kpt #: 76 total cpu time spent up to now is 31.8 secs Computing kpt #: 77 total cpu time spent up to now is 32.2 secs Computing kpt #: 78 total cpu time spent up to now is 32.6 secs Computing kpt #: 79 total cpu time spent up to now is 33.0 secs Computing kpt #: 80 total cpu time spent up to now is 33.4 secs Computing kpt #: 81 total cpu time spent up to now is 33.8 secs Computing kpt #: 82 total cpu time spent up to now is 34.1 secs Computing kpt #: 83 total cpu time spent up to now is 34.5 secs Computing kpt #: 84 total cpu time spent up to now is 34.9 secs Computing kpt #: 85 total cpu time spent up to now is 35.3 secs Computing kpt #: 86 total cpu time spent up to now is 35.7 secs Computing kpt #: 87 total cpu time spent up to now is 36.1 secs Computing kpt #: 88 total cpu time spent up to now is 36.4 secs Computing kpt #: 89 total cpu time spent up to now is 36.8 secs Computing kpt #: 90 total cpu time spent up to now is 37.2 secs Computing kpt #: 91 total cpu time spent up to now is 37.6 secs Computing kpt #: 92 total cpu time spent up to now is 38.0 secs Computing kpt #: 93 total cpu time spent up to now is 38.4 secs Computing kpt #: 94 total cpu time spent up to now is 38.8 secs Computing kpt #: 95 total cpu time spent up to now is 39.2 secs Computing kpt #: 96 total cpu time spent up to now is 39.6 secs Computing kpt #: 97 total cpu time spent up to now is 40.0 secs Computing kpt #: 98 total cpu time spent up to now is 40.4 secs Computing kpt #: 99 total cpu time spent up to now is 40.8 secs Computing kpt #: 100 total cpu time spent up to now is 41.2 secs Computing kpt #: 101 total cpu time spent up to now is 41.6 secs Computing kpt #: 102 total cpu time spent up to now is 42.0 secs Computing kpt #: 103 total cpu time spent up to now is 42.4 secs Computing kpt #: 104 total cpu time spent up to now is 42.8 secs Computing kpt #: 105 total cpu time spent up to now is 43.2 secs Computing kpt #: 106 total cpu time spent up to now is 43.6 secs Computing kpt #: 107 total cpu time spent up to now is 44.0 secs Computing kpt #: 108 total cpu time spent up to now is 44.4 secs Computing kpt #: 109 total cpu time spent up to now is 44.8 secs Computing kpt #: 110 total cpu time spent up to now is 45.2 secs Computing kpt #: 111 total cpu time spent up to now is 45.6 secs Computing kpt #: 112 total cpu time spent up to now is 46.0 secs Computing kpt #: 113 total cpu time spent up to now is 46.4 secs Computing kpt #: 114 total cpu time spent up to now is 46.9 secs Computing kpt #: 115 total cpu time spent up to now is 47.3 secs Computing kpt #: 116 total cpu time spent up to now is 47.6 secs Computing kpt #: 117 total cpu time spent up to now is 48.0 secs Computing kpt #: 118 total cpu time spent up to now is 48.4 secs Computing kpt #: 119 total cpu time spent up to now is 48.9 secs Computing kpt #: 120 total cpu time spent up to now is 49.2 secs Computing kpt #: 121 total cpu time spent up to now is 49.6 secs Computing kpt #: 122 total cpu time spent up to now is 50.1 secs Computing kpt #: 123 total cpu time spent up to now is 50.5 secs Computing kpt #: 124 total cpu time spent up to now is 51.0 secs Computing kpt #: 125 total cpu time spent up to now is 51.5 secs Computing kpt #: 126 total cpu time spent up to now is 52.0 secs Computing kpt #: 127 total cpu time spent up to now is 52.4 secs Computing kpt #: 128 total cpu time spent up to now is 52.9 secs Computing kpt #: 129 total cpu time spent up to now is 53.3 secs Computing kpt #: 130 total cpu time spent up to now is 53.7 secs Computing kpt #: 131 total cpu time spent up to now is 54.1 secs Computing kpt #: 132 total cpu time spent up to now is 54.5 secs Computing kpt #: 133 total cpu time spent up to now is 54.9 secs Computing kpt #: 134 total cpu time spent up to now is 55.3 secs Computing kpt #: 135 total cpu time spent up to now is 55.7 secs Computing kpt #: 136 total cpu time spent up to now is 56.1 secs Computing kpt #: 137 total cpu time spent up to now is 56.5 secs Computing kpt #: 138 total cpu time spent up to now is 56.8 secs Computing kpt #: 139 total cpu time spent up to now is 57.2 secs Computing kpt #: 140 total cpu time spent up to now is 57.6 secs Computing kpt #: 141 total cpu time spent up to now is 58.0 secs Computing kpt #: 142 total cpu time spent up to now is 58.4 secs Computing kpt #: 143 total cpu time spent up to now is 58.8 secs Computing kpt #: 144 total cpu time spent up to now is 59.2 secs Computing kpt #: 145 total cpu time spent up to now is 59.5 secs Computing kpt #: 146 total cpu time spent up to now is 59.9 secs Computing kpt #: 147 total cpu time spent up to now is 60.3 secs Computing kpt #: 148 total cpu time spent up to now is 60.7 secs Computing kpt #: 149 total cpu time spent up to now is 61.1 secs Computing kpt #: 150 total cpu time spent up to now is 61.4 secs Computing kpt #: 151 total cpu time spent up to now is 61.8 secs Computing kpt #: 152 total cpu time spent up to now is 62.2 secs Computing kpt #: 153 total cpu time spent up to now is 62.6 secs Computing kpt #: 154 total cpu time spent up to now is 62.9 secs Computing kpt #: 155 total cpu time spent up to now is 63.3 secs Computing kpt #: 156 total cpu time spent up to now is 63.7 secs Computing kpt #: 157 total cpu time spent up to now is 64.1 secs Computing kpt #: 158 total cpu time spent up to now is 64.4 secs Computing kpt #: 159 total cpu time spent up to now is 64.8 secs Computing kpt #: 160 total cpu time spent up to now is 65.2 secs Computing kpt #: 161 total cpu time spent up to now is 65.6 secs Computing kpt #: 162 total cpu time spent up to now is 65.9 secs Computing kpt #: 163 total cpu time spent up to now is 66.3 secs Computing kpt #: 164 total cpu time spent up to now is 66.7 secs Computing kpt #: 165 total cpu time spent up to now is 67.1 secs Computing kpt #: 166 total cpu time spent up to now is 67.4 secs Computing kpt #: 167 total cpu time spent up to now is 67.8 secs Computing kpt #: 168 total cpu time spent up to now is 68.2 secs Computing kpt #: 169 total cpu time spent up to now is 68.6 secs Computing kpt #: 170 total cpu time spent up to now is 69.0 secs Computing kpt #: 171 total cpu time spent up to now is 69.4 secs Computing kpt #: 172 total cpu time spent up to now is 69.9 secs Computing kpt #: 173 total cpu time spent up to now is 70.3 secs Computing kpt #: 174 total cpu time spent up to now is 70.8 secs Computing kpt #: 175 total cpu time spent up to now is 71.2 secs Computing kpt #: 176 total cpu time spent up to now is 71.6 secs Computing kpt #: 177 total cpu time spent up to now is 72.0 secs Computing kpt #: 178 total cpu time spent up to now is 72.4 secs Computing kpt #: 179 total cpu time spent up to now is 72.7 secs Computing kpt #: 180 total cpu time spent up to now is 73.1 secs Computing kpt #: 181 total cpu time spent up to now is 73.5 secs Computing kpt #: 182 total cpu time spent up to now is 73.9 secs Computing kpt #: 183 total cpu time spent up to now is 74.3 secs Computing kpt #: 184 total cpu time spent up to now is 74.7 secs Computing kpt #: 185 total cpu time spent up to now is 75.0 secs Computing kpt #: 186 total cpu time spent up to now is 75.4 secs Computing kpt #: 187 total cpu time spent up to now is 75.8 secs Computing kpt #: 188 total cpu time spent up to now is 76.2 secs Computing kpt #: 189 total cpu time spent up to now is 76.6 secs Computing kpt #: 190 total cpu time spent up to now is 76.9 secs Computing kpt #: 191 total cpu time spent up to now is 77.3 secs Computing kpt #: 192 total cpu time spent up to now is 77.7 secs Computing kpt #: 193 total cpu time spent up to now is 78.1 secs Computing kpt #: 194 total cpu time spent up to now is 78.5 secs Computing kpt #: 195 total cpu time spent up to now is 78.9 secs Computing kpt #: 196 total cpu time spent up to now is 79.2 secs Computing kpt #: 197 total cpu time spent up to now is 79.7 secs Computing kpt #: 198 total cpu time spent up to now is 80.1 secs Computing kpt #: 199 total cpu time spent up to now is 80.5 secs Computing kpt #: 200 total cpu time spent up to now is 80.9 secs Computing kpt #: 201 total cpu time spent up to now is 81.3 secs Computing kpt #: 202 total cpu time spent up to now is 81.7 secs Computing kpt #: 203 total cpu time spent up to now is 82.2 secs Computing kpt #: 204 total cpu time spent up to now is 82.6 secs Computing kpt #: 205 total cpu time spent up to now is 83.0 secs Computing kpt #: 206 total cpu time spent up to now is 83.5 secs Computing kpt #: 207 total cpu time spent up to now is 83.8 secs Computing kpt #: 208 total cpu time spent up to now is 84.2 secs Computing kpt #: 209 total cpu time spent up to now is 84.6 secs Computing kpt #: 210 total cpu time spent up to now is 84.9 secs Computing kpt #: 211 total cpu time spent up to now is 85.2 secs Computing kpt #: 212 total cpu time spent up to now is 85.7 secs Computing kpt #: 213 total cpu time spent up to now is 86.0 secs Computing kpt #: 214 total cpu time spent up to now is 86.4 secs Computing kpt #: 215 total cpu time spent up to now is 86.8 secs Computing kpt #: 216 total cpu time spent up to now is 87.3 secs Computing kpt #: 217 total cpu time spent up to now is 87.7 secs Computing kpt #: 218 total cpu time spent up to now is 88.0 secs Computing kpt #: 219 total cpu time spent up to now is 88.5 secs Computing kpt #: 220 total cpu time spent up to now is 88.8 secs Computing kpt #: 221 total cpu time spent up to now is 89.2 secs Computing kpt #: 222 total cpu time spent up to now is 89.5 secs Computing kpt #: 223 total cpu time spent up to now is 89.8 secs Computing kpt #: 224 total cpu time spent up to now is 90.2 secs Computing kpt #: 225 total cpu time spent up to now is 90.6 secs Computing kpt #: 226 total cpu time spent up to now is 90.9 secs Computing kpt #: 227 total cpu time spent up to now is 91.3 secs Computing kpt #: 228 total cpu time spent up to now is 91.6 secs Computing kpt #: 229 total cpu time spent up to now is 92.0 secs Computing kpt #: 230 total cpu time spent up to now is 92.3 secs Computing kpt #: 231 total cpu time spent up to now is 92.7 secs Computing kpt #: 232 total cpu time spent up to now is 93.0 secs Computing kpt #: 233 total cpu time spent up to now is 93.3 secs Computing kpt #: 234 total cpu time spent up to now is 93.8 secs Computing kpt #: 235 total cpu time spent up to now is 94.1 secs Computing kpt #: 236 total cpu time spent up to now is 94.5 secs Computing kpt #: 237 total cpu time spent up to now is 94.9 secs Computing kpt #: 238 total cpu time spent up to now is 95.2 secs Computing kpt #: 239 total cpu time spent up to now is 95.6 secs Computing kpt #: 240 total cpu time spent up to now is 95.9 secs Computing kpt #: 241 total cpu time spent up to now is 96.3 secs Computing kpt #: 242 total cpu time spent up to now is 96.7 secs Computing kpt #: 243 total cpu time spent up to now is 97.0 secs Computing kpt #: 244 total cpu time spent up to now is 97.4 secs Computing kpt #: 245 total cpu time spent up to now is 97.8 secs Computing kpt #: 246 total cpu time spent up to now is 98.2 secs Computing kpt #: 247 total cpu time spent up to now is 98.5 secs Computing kpt #: 248 total cpu time spent up to now is 98.9 secs Computing kpt #: 249 total cpu time spent up to now is 99.3 secs Computing kpt #: 250 total cpu time spent up to now is 99.7 secs Computing kpt #: 251 total cpu time spent up to now is 100.1 secs Computing kpt #: 252 total cpu time spent up to now is 100.5 secs Computing kpt #: 253 total cpu time spent up to now is 100.9 secs Computing kpt #: 254 total cpu time spent up to now is 101.2 secs Computing kpt #: 255 total cpu time spent up to now is 101.6 secs Computing kpt #: 256 total cpu time spent up to now is 102.0 secs Computing kpt #: 257 total cpu time spent up to now is 102.4 secs Computing kpt #: 258 total cpu time spent up to now is 102.8 secs Computing kpt #: 259 total cpu time spent up to now is 103.2 secs Computing kpt #: 260 total cpu time spent up to now is 103.6 secs Computing kpt #: 261 total cpu time spent up to now is 104.0 secs Computing kpt #: 262 total cpu time spent up to now is 104.5 secs Computing kpt #: 263 total cpu time spent up to now is 104.9 secs Computing kpt #: 264 total cpu time spent up to now is 105.3 secs Computing kpt #: 265 total cpu time spent up to now is 105.7 secs Computing kpt #: 266 total cpu time spent up to now is 106.2 secs Computing kpt #: 267 total cpu time spent up to now is 106.6 secs Computing kpt #: 268 total cpu time spent up to now is 107.0 secs Computing kpt #: 269 total cpu time spent up to now is 107.4 secs Computing kpt #: 270 total cpu time spent up to now is 107.8 secs Computing kpt #: 271 total cpu time spent up to now is 108.3 secs Computing kpt #: 272 total cpu time spent up to now is 108.7 secs Computing kpt #: 273 total cpu time spent up to now is 109.1 secs Computing kpt #: 274 total cpu time spent up to now is 109.5 secs Computing kpt #: 275 total cpu time spent up to now is 109.9 secs Computing kpt #: 276 total cpu time spent up to now is 110.3 secs Computing kpt #: 277 total cpu time spent up to now is 110.7 secs Computing kpt #: 278 total cpu time spent up to now is 111.1 secs Computing kpt #: 279 total cpu time spent up to now is 111.5 secs Computing kpt #: 280 total cpu time spent up to now is 111.9 secs Computing kpt #: 281 total cpu time spent up to now is 112.3 secs Computing kpt #: 282 total cpu time spent up to now is 112.7 secs Computing kpt #: 283 total cpu time spent up to now is 113.1 secs Computing kpt #: 284 total cpu time spent up to now is 113.5 secs Computing kpt #: 285 total cpu time spent up to now is 113.9 secs Computing kpt #: 286 total cpu time spent up to now is 114.3 secs Computing kpt #: 287 total cpu time spent up to now is 114.7 secs Computing kpt #: 288 total cpu time spent up to now is 115.1 secs Computing kpt #: 289 total cpu time spent up to now is 115.5 secs Computing kpt #: 290 total cpu time spent up to now is 115.8 secs Computing kpt #: 291 total cpu time spent up to now is 116.2 secs Computing kpt #: 292 total cpu time spent up to now is 116.6 secs Computing kpt #: 293 total cpu time spent up to now is 117.0 secs Computing kpt #: 294 total cpu time spent up to now is 117.4 secs Computing kpt #: 295 total cpu time spent up to now is 117.8 secs Computing kpt #: 296 total cpu time spent up to now is 118.2 secs Computing kpt #: 297 total cpu time spent up to now is 118.6 secs Computing kpt #: 298 total cpu time spent up to now is 119.0 secs Computing kpt #: 299 total cpu time spent up to now is 119.3 secs Computing kpt #: 300 total cpu time spent up to now is 119.7 secs Computing kpt #: 301 total cpu time spent up to now is 120.1 secs Computing kpt #: 302 total cpu time spent up to now is 120.5 secs Computing kpt #: 303 total cpu time spent up to now is 120.9 secs Computing kpt #: 304 total cpu time spent up to now is 121.3 secs Computing kpt #: 305 total cpu time spent up to now is 121.7 secs Computing kpt #: 306 total cpu time spent up to now is 122.1 secs Computing kpt #: 307 total cpu time spent up to now is 122.5 secs Computing kpt #: 308 total cpu time spent up to now is 122.9 secs Computing kpt #: 309 total cpu time spent up to now is 123.3 secs Computing kpt #: 310 total cpu time spent up to now is 123.7 secs Computing kpt #: 311 total cpu time spent up to now is 124.1 secs Computing kpt #: 312 total cpu time spent up to now is 124.5 secs Computing kpt #: 313 total cpu time spent up to now is 124.9 secs Computing kpt #: 314 total cpu time spent up to now is 125.3 secs Computing kpt #: 315 total cpu time spent up to now is 125.7 secs Computing kpt #: 316 total cpu time spent up to now is 126.1 secs Computing kpt #: 317 total cpu time spent up to now is 126.5 secs Computing kpt #: 318 total cpu time spent up to now is 126.9 secs Computing kpt #: 319 total cpu time spent up to now is 127.3 secs Computing kpt #: 320 total cpu time spent up to now is 127.7 secs Computing kpt #: 321 total cpu time spent up to now is 128.2 secs Computing kpt #: 322 total cpu time spent up to now is 128.6 secs Computing kpt #: 323 total cpu time spent up to now is 129.0 secs Computing kpt #: 324 total cpu time spent up to now is 129.4 secs Computing kpt #: 325 total cpu time spent up to now is 129.8 secs Computing kpt #: 326 total cpu time spent up to now is 130.2 secs Computing kpt #: 327 total cpu time spent up to now is 130.6 secs Computing kpt #: 328 total cpu time spent up to now is 131.0 secs Computing kpt #: 329 total cpu time spent up to now is 131.4 secs Computing kpt #: 330 total cpu time spent up to now is 131.9 secs Computing kpt #: 331 total cpu time spent up to now is 132.3 secs Computing kpt #: 332 total cpu time spent up to now is 132.7 secs Computing kpt #: 333 total cpu time spent up to now is 133.1 secs Computing kpt #: 334 total cpu time spent up to now is 133.5 secs Computing kpt #: 335 total cpu time spent up to now is 134.0 secs Computing kpt #: 336 total cpu time spent up to now is 134.4 secs Computing kpt #: 337 total cpu time spent up to now is 134.8 secs Computing kpt #: 338 total cpu time spent up to now is 135.2 secs Computing kpt #: 339 total cpu time spent up to now is 135.6 secs Computing kpt #: 340 total cpu time spent up to now is 136.0 secs Computing kpt #: 341 total cpu time spent up to now is 136.4 secs Computing kpt #: 342 total cpu time spent up to now is 136.8 secs Computing kpt #: 343 total cpu time spent up to now is 137.3 secs Computing kpt #: 344 total cpu time spent up to now is 137.7 secs Computing kpt #: 345 total cpu time spent up to now is 138.1 secs Computing kpt #: 346 total cpu time spent up to now is 138.5 secs Computing kpt #: 347 total cpu time spent up to now is 138.9 secs Computing kpt #: 348 total cpu time spent up to now is 139.3 secs Computing kpt #: 349 total cpu time spent up to now is 139.8 secs Computing kpt #: 350 total cpu time spent up to now is 140.3 secs Computing kpt #: 351 total cpu time spent up to now is 140.7 secs Computing kpt #: 352 total cpu time spent up to now is 141.1 secs Computing kpt #: 353 total cpu time spent up to now is 141.5 secs Computing kpt #: 354 total cpu time spent up to now is 141.9 secs Computing kpt #: 355 total cpu time spent up to now is 142.3 secs Computing kpt #: 356 total cpu time spent up to now is 142.6 secs Computing kpt #: 357 total cpu time spent up to now is 143.0 secs Computing kpt #: 358 total cpu time spent up to now is 143.4 secs Computing kpt #: 359 total cpu time spent up to now is 143.8 secs Computing kpt #: 360 total cpu time spent up to now is 144.2 secs Computing kpt #: 361 total cpu time spent up to now is 144.6 secs Computing kpt #: 362 total cpu time spent up to now is 145.0 secs Computing kpt #: 363 total cpu time spent up to now is 145.4 secs Computing kpt #: 364 total cpu time spent up to now is 145.7 secs Computing kpt #: 365 total cpu time spent up to now is 146.1 secs Computing kpt #: 366 total cpu time spent up to now is 146.5 secs Computing kpt #: 367 total cpu time spent up to now is 146.9 secs Computing kpt #: 368 total cpu time spent up to now is 147.2 secs Computing kpt #: 369 total cpu time spent up to now is 147.6 secs Computing kpt #: 370 total cpu time spent up to now is 148.0 secs Computing kpt #: 371 total cpu time spent up to now is 148.3 secs Computing kpt #: 372 total cpu time spent up to now is 148.7 secs Computing kpt #: 373 total cpu time spent up to now is 149.1 secs Computing kpt #: 374 total cpu time spent up to now is 149.4 secs Computing kpt #: 375 total cpu time spent up to now is 149.8 secs Computing kpt #: 376 total cpu time spent up to now is 150.2 secs Computing kpt #: 377 total cpu time spent up to now is 150.6 secs Computing kpt #: 378 total cpu time spent up to now is 150.9 secs Computing kpt #: 379 total cpu time spent up to now is 151.3 secs Computing kpt #: 380 total cpu time spent up to now is 151.7 secs Computing kpt #: 381 total cpu time spent up to now is 152.1 secs Computing kpt #: 382 total cpu time spent up to now is 152.4 secs Computing kpt #: 383 total cpu time spent up to now is 152.8 secs Computing kpt #: 384 total cpu time spent up to now is 153.2 secs Computing kpt #: 385 total cpu time spent up to now is 153.6 secs Computing kpt #: 386 total cpu time spent up to now is 153.9 secs Computing kpt #: 387 total cpu time spent up to now is 154.3 secs Computing kpt #: 388 total cpu time spent up to now is 154.7 secs Computing kpt #: 389 total cpu time spent up to now is 155.1 secs Computing kpt #: 390 total cpu time spent up to now is 155.6 secs Computing kpt #: 391 total cpu time spent up to now is 156.0 secs Computing kpt #: 392 total cpu time spent up to now is 156.5 secs Computing kpt #: 393 total cpu time spent up to now is 156.8 secs Computing kpt #: 394 total cpu time spent up to now is 157.3 secs Computing kpt #: 395 total cpu time spent up to now is 157.7 secs Computing kpt #: 396 total cpu time spent up to now is 158.0 secs Computing kpt #: 397 total cpu time spent up to now is 158.5 secs Computing kpt #: 398 total cpu time spent up to now is 158.8 secs Computing kpt #: 399 total cpu time spent up to now is 159.2 secs Computing kpt #: 400 total cpu time spent up to now is 159.6 secs Computing kpt #: 401 total cpu time spent up to now is 160.0 secs Computing kpt #: 402 total cpu time spent up to now is 160.4 secs Computing kpt #: 403 total cpu time spent up to now is 160.8 secs Computing kpt #: 404 total cpu time spent up to now is 161.2 secs Computing kpt #: 405 total cpu time spent up to now is 161.6 secs Computing kpt #: 406 total cpu time spent up to now is 162.0 secs Computing kpt #: 407 total cpu time spent up to now is 162.4 secs Computing kpt #: 408 total cpu time spent up to now is 162.8 secs Computing kpt #: 409 total cpu time spent up to now is 163.2 secs Computing kpt #: 410 total cpu time spent up to now is 163.5 secs Computing kpt #: 411 total cpu time spent up to now is 163.9 secs Computing kpt #: 412 total cpu time spent up to now is 164.3 secs Computing kpt #: 413 total cpu time spent up to now is 164.7 secs Computing kpt #: 414 total cpu time spent up to now is 165.1 secs Computing kpt #: 415 total cpu time spent up to now is 165.6 secs Computing kpt #: 416 total cpu time spent up to now is 166.0 secs Computing kpt #: 417 total cpu time spent up to now is 166.4 secs Computing kpt #: 418 total cpu time spent up to now is 166.8 secs ethr = 3.57E-08, avg # of iterations = 17.7 total cpu time spent up to now is 166.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4193 PWs) bands (ev): -35.3796 -35.3796 -10.9575 -10.9575 -9.0580 -9.0580 -5.3196 -5.3196 -5.2325 -5.2325 -4.9230 -4.9230 -4.7249 -4.7249 -4.6876 -4.6876 2.6158 2.6158 6.9992 6.9992 7.0387 7.0387 7.1824 7.1824 7.2190 7.2190 7.2286 7.2286 11.4962 11.4962 14.4413 14.4413 20.2784 20.2784 20.9348 20.9348 k = 0.0078-0.0120-0.0073 ( 4193 PWs) bands (ev): -35.3796 -35.3796 -10.9567 -10.9567 -9.0581 -9.0581 -5.3194 -5.3194 -5.2323 -5.2323 -4.9228 -4.9228 -4.7248 -4.7248 -4.6875 -4.6875 2.6161 2.6161 6.9955 6.9955 7.0349 7.0349 7.1781 7.1781 7.2206 7.2206 7.2297 7.2297 11.5003 11.5003 14.4453 14.4453 20.2763 20.2763 20.9341 20.9341 k = 0.0156-0.0239-0.0146 ( 4191 PWs) bands (ev): -35.3795 -35.3795 -10.9545 -10.9545 -9.0582 -9.0582 -5.3188 -5.3188 -5.2318 -5.2318 -4.9221 -4.9221 -4.7248 -4.7248 -4.6873 -4.6873 2.6170 2.6170 6.9836 6.9836 7.0246 7.0246 7.1675 7.1675 7.2237 7.2237 7.2325 7.2325 11.5124 11.5124 14.4573 14.4573 20.2698 20.2698 20.9315 20.9315 k = 0.0234-0.0359-0.0220 ( 4191 PWs) bands (ev): -35.3795 -35.3795 -10.9507 -10.9507 -9.0585 -9.0585 -5.3177 -5.3177 -5.2309 -5.2309 -4.9210 -4.9210 -4.7246 -4.7246 -4.6870 -4.6870 2.6186 2.6186 6.9612 6.9612 7.0107 7.0107 7.1528 7.1528 7.2268 7.2268 7.2356 7.2356 11.5326 11.5326 14.4771 14.4771 20.2590 20.2590 20.9262 20.9262 k = 0.0312-0.0479-0.0293 ( 4193 PWs) bands (ev): -35.3794 -35.3794 -10.9455 -10.9455 -9.0588 -9.0588 -5.3163 -5.3163 -5.2297 -5.2297 -4.9195 -4.9195 -4.7244 -4.7244 -4.6865 -4.6865 2.6207 2.6207 6.9272 6.9272 6.9952 6.9952 7.1348 7.1348 7.2297 7.2297 7.2383 7.2383 11.5604 11.5604 14.5046 14.5046 20.2436 20.2436 20.9170 20.9170 k = 0.0391-0.0599-0.0366 ( 4197 PWs) bands (ev): -35.3792 -35.3792 -10.9388 -10.9388 -9.0593 -9.0593 -5.3145 -5.3145 -5.2281 -5.2281 -4.9176 -4.9176 -4.7242 -4.7242 -4.6858 -4.6858 2.6235 2.6235 6.8826 6.8826 6.9785 6.9785 7.1130 7.1130 7.2315 7.2315 7.2408 7.2408 11.5957 11.5957 14.5396 14.5396 20.2235 20.2235 20.9025 20.9025 k = 0.0469-0.0718-0.0439 ( 4197 PWs) bands (ev): -35.3791 -35.3791 -10.9305 -10.9305 -9.0598 -9.0598 -5.3124 -5.3124 -5.2261 -5.2261 -4.9153 -4.9153 -4.7240 -4.7240 -4.6850 -4.6850 2.6268 2.6268 6.8289 6.8289 6.9602 6.9602 7.0869 7.0869 7.2319 7.2319 7.2438 7.2438 11.6380 11.6380 14.5818 14.5818 20.1983 20.1983 20.8822 20.8822 k = 0.0547-0.0838-0.0512 ( 4198 PWs) bands (ev): -35.3789 -35.3789 -10.9209 -10.9209 -9.0604 -9.0604 -5.3099 -5.3099 -5.2238 -5.2238 -4.9125 -4.9125 -4.7237 -4.7237 -4.6839 -4.6839 2.6308 2.6308 6.7673 6.7673 6.9402 6.9402 7.0560 7.0560 7.2311 7.2311 7.2470 7.2470 11.6868 11.6868 14.6309 14.6309 20.1679 20.1679 20.8563 20.8563 k = 0.0625-0.0958-0.0586 ( 4202 PWs) bands (ev): -35.3787 -35.3787 -10.9097 -10.9097 -9.0612 -9.0612 -5.3072 -5.3072 -5.2210 -5.2210 -4.9094 -4.9094 -4.7234 -4.7234 -4.6825 -4.6825 2.6353 2.6353 6.6987 6.6987 6.9184 6.9184 7.0202 7.0202 7.2294 7.2294 7.2501 7.2501 11.7418 11.7418 14.6864 14.6864 20.1320 20.1320 20.8255 20.8255 k = 0.0703-0.1078-0.0659 ( 4204 PWs) bands (ev): -35.3784 -35.3784 -10.8971 -10.8971 -9.0620 -9.0620 -5.3042 -5.3042 -5.2178 -5.2178 -4.9060 -4.9060 -4.7231 -4.7231 -4.6809 -4.6809 2.6403 2.6403 6.6240 6.6240 6.8950 6.8950 6.9795 6.9795 7.2273 7.2273 7.2528 7.2528 11.8024 11.8024 14.7480 14.7480 20.0902 20.0902 20.7912 20.7912 k = 0.0781-0.1197-0.0732 ( 4202 PWs) bands (ev): -35.3781 -35.3781 -10.8831 -10.8831 -9.0629 -9.0629 -5.3011 -5.3011 -5.2142 -5.2142 -4.9023 -4.9023 -4.7227 -4.7227 -4.6788 -4.6788 2.6459 2.6459 6.5437 6.5437 6.8700 6.8700 6.9341 6.9341 7.2249 7.2249 7.2550 7.2550 11.8681 11.8681 14.8153 14.8153 20.0426 20.0426 20.7543 20.7543 k = 0.0859-0.1317-0.0805 ( 4203 PWs) bands (ev): -35.3778 -35.3778 -10.8677 -10.8677 -9.0639 -9.0639 -5.2979 -5.2979 -5.2101 -5.2101 -4.8983 -4.8983 -4.7223 -4.7223 -4.6764 -4.6764 2.6519 2.6519 6.4584 6.4584 6.8432 6.8432 6.8847 6.8847 7.2223 7.2223 7.2566 7.2566 11.9384 11.9384 14.8878 14.8878 19.9889 19.9889 20.7160 20.7160 k = 0.0938-0.1437-0.0878 ( 4203 PWs) bands (ev): -35.3775 -35.3775 -10.8509 -10.8509 -9.0651 -9.0651 -5.2946 -5.2946 -5.2056 -5.2056 -4.8940 -4.8940 -4.7219 -4.7219 -4.6736 -4.6736 2.6585 2.6585 6.3687 6.3687 6.8130 6.8130 6.8332 6.8332 7.2193 7.2193 7.2575 7.2575 12.0129 12.0129 14.9650 14.9650 19.9294 19.9294 20.6770 20.6770 k = 0.1016-0.1557-0.0952 ( 4201 PWs) bands (ev): -35.3771 -35.3771 -10.8327 -10.8327 -9.0663 -9.0663 -5.2912 -5.2912 -5.2006 -5.2006 -4.8896 -4.8896 -4.7215 -4.7215 -4.6702 -4.6702 2.6654 2.6654 6.2751 6.2751 6.7671 6.7671 6.7924 6.7924 7.2161 7.2161 7.2578 7.2578 12.0911 12.0911 15.0465 15.0465 19.8642 19.8642 20.6379 20.6379 k = 0.1094-0.1676-0.1025 ( 4200 PWs) bands (ev): -35.3768 -35.3768 -10.8132 -10.8132 -9.0676 -9.0676 -5.2879 -5.2879 -5.1951 -5.1951 -4.8850 -4.8850 -4.7211 -4.7211 -4.6663 -4.6663 2.6727 2.6727 6.1780 6.1780 6.7076 6.7076 6.7608 6.7608 7.2126 7.2126 7.2573 7.2573 12.1725 12.1725 15.1318 15.1318 19.7939 19.7939 20.5990 20.5990 k = 0.1172-0.1796-0.1098 ( 4199 PWs) bands (ev): -35.3764 -35.3764 -10.7923 -10.7923 -9.0690 -9.0690 -5.2846 -5.2846 -5.1891 -5.1891 -4.8803 -4.8803 -4.7206 -4.7206 -4.6617 -4.6617 2.6804 2.6804 6.0779 6.0779 6.6438 6.6438 6.7295 6.7295 7.2087 7.2087 7.2561 7.2561 12.2568 12.2568 15.2203 15.2203 19.7189 19.7189 20.5605 20.5605 k = 0.1250-0.1916-0.1171 ( 4199 PWs) bands (ev): -35.3759 -35.3759 -10.7702 -10.7702 -9.0705 -9.0705 -5.2814 -5.2814 -5.1827 -5.1827 -4.8756 -4.8756 -4.7200 -4.7200 -4.6566 -4.6566 2.6884 2.6884 5.9752 5.9752 6.5772 6.5772 6.6976 6.6976 7.2045 7.2045 7.2542 7.2542 12.3434 12.3434 15.3116 15.3116 19.6399 19.6399 20.5225 20.5225 k = 0.1328-0.2035-0.1245 ( 4197 PWs) bands (ev): -35.3755 -35.3755 -10.7468 -10.7468 -9.0720 -9.0720 -5.2783 -5.2783 -5.1759 -5.1759 -4.8710 -4.8710 -4.7193 -4.7193 -4.6506 -4.6506 2.6965 2.6965 5.8703 5.8703 6.5082 6.5082 6.6649 6.6649 7.1997 7.1997 7.2516 7.2516 12.4320 12.4320 15.4052 15.4052 19.5577 19.5577 20.4850 20.4850 k = 0.1406-0.2155-0.1318 ( 4201 PWs) bands (ev): -35.3750 -35.3750 -10.7221 -10.7221 -9.0737 -9.0737 -5.2753 -5.2753 -5.1686 -5.1686 -4.8664 -4.8664 -4.7185 -4.7185 -4.6440 -4.6440 2.7048 2.7048 5.7636 5.7636 6.4375 6.4375 6.6315 6.6315 7.1945 7.1945 7.2484 7.2484 12.5223 12.5223 15.5005 15.5005 19.4729 19.4729 20.4480 20.4480 k = 0.1484-0.2275-0.1391 ( 4205 PWs) bands (ev): -35.3745 -35.3745 -10.6963 -10.6963 -9.0754 -9.0754 -5.2725 -5.2725 -5.1610 -5.1610 -4.8621 -4.8621 -4.7176 -4.7176 -4.6365 -4.6365 2.7132 2.7132 5.6556 5.6556 6.3652 6.3652 6.5974 6.5974 7.1887 7.1887 7.2445 7.2445 12.6139 12.6139 15.5971 15.5971 19.3864 19.3864 20.4112 20.4112 k = 0.1562-0.2395-0.1464 ( 4208 PWs) bands (ev): -35.3740 -35.3740 -10.6693 -10.6693 -9.0773 -9.0773 -5.2699 -5.2699 -5.1531 -5.1531 -4.8579 -4.8579 -4.7165 -4.7165 -4.6281 -4.6281 2.7215 2.7215 5.5464 5.5464 6.2919 6.2919 6.5627 6.5627 7.1823 7.1823 7.2400 7.2400 12.7065 12.7065 15.6943 15.6943 19.2989 19.2989 20.3748 20.3748 k = 0.1641-0.2514-0.1537 ( 4206 PWs) bands (ev): -35.3735 -35.3735 -10.6412 -10.6412 -9.0792 -9.0792 -5.2674 -5.2674 -5.1449 -5.1449 -4.8541 -4.8541 -4.7153 -4.7153 -4.6189 -4.6189 2.7296 2.7296 5.4366 5.4366 6.2178 6.2178 6.5274 6.5274 7.1752 7.1752 7.2349 7.2349 12.7997 12.7997 15.7915 15.7915 19.2111 19.2111 20.3385 20.3385 k = 0.1719-0.2634-0.1611 ( 4210 PWs) bands (ev): -35.3730 -35.3730 -10.6120 -10.6120 -9.0811 -9.0811 -5.2651 -5.2651 -5.1364 -5.1364 -4.8505 -4.8505 -4.7138 -4.7138 -4.6087 -4.6087 2.7375 2.7375 5.3265 5.3265 6.1433 6.1433 6.4916 6.4916 7.1674 7.1674 7.2293 7.2293 12.8932 12.8932 15.8882 15.8882 19.1240 19.1240 20.3024 20.3024 k = 0.1797-0.2754-0.1684 ( 4204 PWs) bands (ev): -35.3724 -35.3724 -10.5818 -10.5818 -9.0832 -9.0832 -5.2630 -5.2630 -5.1278 -5.1278 -4.8473 -4.8473 -4.7122 -4.7122 -4.5976 -4.5976 2.7449 2.7449 5.2164 5.2164 6.0687 6.0687 6.4555 6.4555 7.1589 7.1589 7.2232 7.2232 12.9867 12.9867 15.9838 15.9838 19.0382 19.0382 20.2664 20.2664 k = 0.1875-0.2874-0.1757 ( 4208 PWs) bands (ev): -35.3719 -35.3719 -10.5506 -10.5506 -9.0853 -9.0853 -5.2610 -5.2610 -5.1190 -5.1190 -4.8444 -4.8444 -4.7103 -4.7103 -4.5856 -4.5856 2.7517 2.7517 5.1066 5.1066 5.9943 5.9943 6.4190 6.4190 7.1495 7.1495 7.2165 7.2165 13.0800 13.0800 16.0774 16.0774 18.9545 18.9545 20.2305 20.2305 k = 0.1953-0.2993-0.1830 ( 4214 PWs) bands (ev): -35.3713 -35.3713 -10.5185 -10.5185 -9.0875 -9.0875 -5.2592 -5.2592 -5.1101 -5.1101 -4.8419 -4.8419 -4.7083 -4.7083 -4.5727 -4.5727 2.7577 2.7577 4.9976 4.9976 5.9203 5.9203 6.3822 6.3822 7.1392 7.1392 7.2095 7.2095 13.1727 13.1727 16.1685 16.1685 18.8739 18.8739 20.1948 20.1948 k = 0.2031-0.3113-0.1903 ( 4212 PWs) bands (ev): -35.3707 -35.3707 -10.4855 -10.4855 -9.0897 -9.0897 -5.2576 -5.2576 -5.1012 -5.1012 -4.8398 -4.8398 -4.7060 -4.7060 -4.5589 -4.5589 2.7627 2.7627 4.8896 4.8896 5.8472 5.8472 6.3453 6.3453 7.1280 7.1280 7.2020 7.2020 13.2645 13.2645 16.2561 16.2561 18.7971 18.7971 20.1593 20.1593 k = 0.2109-0.3233-0.1977 ( 4212 PWs) bands (ev): -35.3701 -35.3701 -10.4517 -10.4517 -9.0919 -9.0919 -5.2561 -5.2561 -5.0924 -5.0924 -4.8380 -4.8380 -4.7035 -4.7035 -4.5443 -4.5443 2.7664 2.7664 4.7831 4.7831 5.7752 5.7752 6.3082 6.3082 7.1158 7.1158 7.1942 7.1942 13.3552 13.3552 16.3394 16.3394 18.7250 18.7250 20.1241 20.1241 k = 0.2188-0.3353-0.2050 ( 4212 PWs) bands (ev): -35.3695 -35.3695 -10.4171 -10.4171 -9.0942 -9.0942 -5.2548 -5.2548 -5.0835 -5.0835 -4.8365 -4.8365 -4.7008 -4.7008 -4.5288 -4.5288 2.7685 2.7685 4.6784 4.6784 5.7047 5.7047 6.2712 6.2712 7.1026 7.1026 7.1861 7.1861 13.4444 13.4444 16.4176 16.4176 18.6587 18.6587 20.0894 20.0894 k = 0.2266-0.3472-0.2123 ( 4212 PWs) bands (ev): -35.3689 -35.3689 -10.3819 -10.3819 -9.0966 -9.0966 -5.2537 -5.2537 -5.0748 -5.0748 -4.8352 -4.8352 -4.6979 -4.6979 -4.5126 -4.5126 2.7688 2.7688 4.5758 4.5758 5.6358 5.6358 6.2341 6.2341 7.0883 7.0883 7.1777 7.1777 13.5318 13.5318 16.4896 16.4896 18.5990 18.5990 20.0552 20.0552 k = 0.2344-0.3592-0.2196 ( 4214 PWs) bands (ev): -35.3683 -35.3683 -10.3460 -10.3460 -9.0989 -9.0989 -5.2527 -5.2527 -5.0662 -5.0662 -4.8342 -4.8342 -4.6949 -4.6949 -4.4957 -4.4957 2.7670 2.7670 4.4757 4.4757 5.5690 5.5690 6.1972 6.1972 7.0729 7.0729 7.1691 7.1691 13.6172 13.6172 16.5546 16.5546 18.5468 18.5468 20.0218 20.0218 k = 0.2422-0.3712-0.2269 ( 4212 PWs) bands (ev): -35.3677 -35.3677 -10.3095 -10.3095 -9.1013 -9.1013 -5.2520 -5.2520 -5.0579 -5.0579 -4.8333 -4.8333 -4.6917 -4.6917 -4.4782 -4.4782 2.7626 2.7626 4.3785 4.3785 5.5046 5.5046 6.1604 6.1604 7.0563 7.0563 7.1602 7.1602 13.7002 13.7002 16.6117 16.6117 18.5029 18.5029 19.9894 19.9894 k = 0.2500-0.3831-0.2343 ( 4208 PWs) bands (ev): -35.3670 -35.3670 -10.2726 -10.2726 -9.1036 -9.1036 -5.2513 -5.2513 -5.0498 -5.0498 -4.8325 -4.8325 -4.6883 -4.6883 -4.4601 -4.4601 2.7553 2.7553 4.2846 4.2846 5.4429 5.4429 6.1239 6.1239 7.0385 7.0385 7.1512 7.1512 13.7806 13.7806 16.6602 16.6602 18.4678 18.4678 19.9582 19.9582 k = 0.2578-0.3951-0.2416 ( 4208 PWs) bands (ev): -35.3664 -35.3664 -10.2353 -10.2353 -9.1060 -9.1060 -5.2509 -5.2509 -5.0419 -5.0419 -4.8319 -4.8319 -4.6848 -4.6848 -4.4415 -4.4415 2.7448 2.7448 4.1943 4.1943 5.3842 5.3842 6.0877 6.0877 7.0194 7.0194 7.1421 7.1421 13.8579 13.8579 16.6998 16.6998 18.4419 18.4419 19.9286 19.9286 k = 0.2656-0.4071-0.2489 ( 4206 PWs) bands (ev): -35.3658 -35.3658 -10.1977 -10.1977 -9.1083 -9.1083 -5.2506 -5.2506 -5.0344 -5.0344 -4.8312 -4.8312 -4.6813 -4.6813 -4.4225 -4.4225 2.7307 2.7307 4.1080 4.1080 5.3289 5.3289 6.0519 6.0519 6.9991 6.9991 7.1329 7.1329 13.9318 13.9318 16.7305 16.7305 18.4250 18.4250 19.9008 19.9008 k = 0.2734-0.4191-0.2562 ( 4212 PWs) bands (ev): -35.3652 -35.3652 -10.1599 -10.1599 -9.1106 -9.1106 -5.2504 -5.2504 -5.0273 -5.0273 -4.8305 -4.8305 -4.6776 -4.6776 -4.4032 -4.4032 2.7127 2.7127 4.0258 4.0258 5.2773 5.2773 6.0165 6.0165 6.9775 6.9775 7.1236 7.1236 14.0021 14.0021 16.7525 16.7525 18.4165 18.4165 19.8754 19.8754 k = 0.2812-0.4310-0.2635 ( 4210 PWs) bands (ev): -35.3646 -35.3646 -10.1219 -10.1219 -9.1129 -9.1129 -5.2504 -5.2504 -5.0206 -5.0206 -4.8298 -4.8298 -4.6739 -4.6739 -4.3836 -4.3836 2.6905 2.6905 3.9480 3.9480 5.2297 5.2297 5.9817 5.9817 6.9545 6.9545 7.1143 7.1143 14.0684 14.0684 16.7669 16.7669 18.4155 18.4155 19.8526 19.8526 k = 0.2891-0.4430-0.2709 ( 4212 PWs) bands (ev): -35.3640 -35.3640 -10.0839 -10.0839 -9.1151 -9.1151 -5.2505 -5.2505 -5.0143 -5.0143 -4.8290 -4.8290 -4.6701 -4.6701 -4.3639 -4.3639 2.6642 2.6642 3.8746 3.8746 5.1863 5.1863 5.9474 5.9474 6.9302 6.9302 7.1051 7.1051 14.1304 14.1304 16.7746 16.7746 18.4205 18.4205 19.8328 19.8328 k = 0.2969-0.4550-0.2782 ( 4214 PWs) bands (ev): -35.3634 -35.3634 -10.0459 -10.0459 -9.1173 -9.1173 -5.2508 -5.2508 -5.0085 -5.0085 -4.8280 -4.8280 -4.6662 -4.6662 -4.3441 -4.3441 2.6336 2.6336 3.8058 3.8058 5.1476 5.1476 5.9139 5.9139 6.9045 6.9045 7.0958 7.0958 14.1878 14.1878 16.7772 16.7772 18.4299 18.4299 19.8166 19.8166 k = 0.3047-0.4670-0.2855 ( 4216 PWs) bands (ev): -35.3628 -35.3628 -10.0081 -10.0081 -9.1193 -9.1193 -5.2512 -5.2512 -5.0031 -5.0031 -4.8269 -4.8269 -4.6624 -4.6624 -4.3242 -4.3242 2.5989 2.5989 3.7412 3.7412 5.1137 5.1137 5.8810 5.8810 6.8774 6.8774 7.0867 7.0867 14.2404 14.2404 16.7759 16.7759 18.4421 18.4421 19.8042 19.8042 k = 0.3125-0.4789-0.2928 ( 4218 PWs) bands (ev): -35.3622 -35.3622 -9.9706 -9.9706 -9.1213 -9.1213 -5.2517 -5.2517 -4.9983 -4.9983 -4.8255 -4.8255 -4.6585 -4.6585 -4.3045 -4.3045 2.5605 2.5605 3.6807 3.6807 5.0847 5.0847 5.8489 5.8489 6.8491 6.8491 7.0776 7.0776 14.2879 14.2879 16.7723 16.7723 18.4553 18.4553 19.7960 19.7960 k = 0.3203-0.4909-0.3001 ( 4211 PWs) bands (ev): -35.3617 -35.3617 -9.9334 -9.9334 -9.1232 -9.1232 -5.2523 -5.2523 -4.9940 -4.9940 -4.8240 -4.8240 -4.6546 -4.6546 -4.2848 -4.2848 2.5188 2.5188 3.6239 3.6239 5.0609 5.0609 5.8176 5.8176 6.8194 6.8194 7.0687 7.0687 14.3302 14.3302 16.7677 16.7677 18.4683 18.4683 19.7922 19.7922 k = 0.3281-0.5029-0.3075 ( 4213 PWs) bands (ev): -35.3611 -35.3611 -9.8968 -9.8968 -9.1249 -9.1249 -5.2530 -5.2530 -4.9903 -4.9903 -4.8223 -4.8223 -4.6508 -4.6508 -4.2654 -4.2654 2.4742 2.4742 3.5705 3.5705 5.0422 5.0422 5.7873 5.7873 6.7883 6.7883 7.0600 7.0600 14.3672 14.3672 16.7630 16.7630 18.4798 18.4798 19.7929 19.7929 k = 0.3359-0.5148-0.3148 ( 4223 PWs) bands (ev): -35.3606 -35.3606 -9.8607 -9.8607 -9.1265 -9.1265 -5.2538 -5.2538 -4.9870 -4.9870 -4.8204 -4.8204 -4.6470 -4.6470 -4.2463 -4.2463 2.4275 2.4275 3.5200 3.5200 5.0287 5.0287 5.7579 5.7579 6.7560 6.7560 7.0515 7.0515 14.3989 14.3989 16.7592 16.7592 18.4889 18.4889 19.7978 19.7978 k = 0.3438-0.5268-0.3221 ( 4229 PWs) bands (ev): -35.3601 -35.3601 -9.8254 -9.8254 -9.1279 -9.1279 -5.2548 -5.2548 -4.9843 -4.9843 -4.8183 -4.8183 -4.6432 -4.6432 -4.2276 -4.2276 2.3793 2.3793 3.4722 3.4722 5.0202 5.0202 5.7294 5.7294 6.7224 6.7224 7.0431 7.0431 14.4254 14.4254 16.7570 16.7570 18.4952 18.4952 19.8069 19.8069 k = 0.3516-0.5388-0.3294 ( 4226 PWs) bands (ev): -35.3596 -35.3596 -9.7910 -9.7910 -9.1291 -9.1291 -5.2557 -5.2557 -4.9820 -4.9820 -4.8160 -4.8160 -4.6396 -4.6396 -4.2094 -4.2094 2.3301 2.3301 3.4265 3.4265 5.0166 5.0166 5.7021 5.7021 6.6877 6.6877 7.0351 7.0351 14.4469 14.4469 16.7567 16.7567 18.4983 18.4983 19.8195 19.8195 k = 0.3594-0.5508-0.3368 ( 4228 PWs) bands (ev): -35.3591 -35.3591 -9.7575 -9.7575 -9.1302 -9.1302 -5.2568 -5.2568 -4.9801 -4.9801 -4.8136 -4.8136 -4.6360 -4.6360 -4.1916 -4.1916 2.2807 2.2807 3.3829 3.3829 5.0177 5.0177 5.6758 5.6758 6.6519 6.6519 7.0272 7.0272 14.4636 14.4636 16.7585 16.7585 18.4982 18.4982 19.8352 19.8352 k = 0.3672-0.5627-0.3441 ( 4226 PWs) bands (ev): -35.3586 -35.3586 -9.7252 -9.7252 -9.1310 -9.1310 -5.2579 -5.2579 -4.9787 -4.9787 -4.8111 -4.8111 -4.6325 -4.6325 -4.1745 -4.1745 2.2315 2.2315 3.3411 3.3411 5.0233 5.0233 5.6507 5.6507 6.6150 6.6150 7.0197 7.0197 14.4759 14.4759 16.7627 16.7627 18.4952 18.4952 19.8533 19.8533 k = 0.3750-0.5747-0.3514 ( 4224 PWs) bands (ev): -35.3582 -35.3582 -9.6941 -9.6941 -9.1316 -9.1316 -5.2591 -5.2591 -4.9776 -4.9776 -4.8085 -4.8085 -4.6291 -4.6291 -4.1580 -4.1580 2.1832 2.1832 3.3009 3.3009 5.0330 5.0330 5.6268 5.6268 6.5772 6.5772 7.0125 7.0125 14.4842 14.4842 16.7689 16.7689 18.4896 18.4896 19.8730 19.8730 k = 0.3828-0.5867-0.3587 ( 4220 PWs) bands (ev): -35.3577 -35.3577 -9.6644 -9.6644 -9.1320 -9.1320 -5.2602 -5.2602 -4.9768 -4.9768 -4.8058 -4.8058 -4.6258 -4.6258 -4.1422 -4.1422 2.1361 2.1361 3.2625 3.2625 5.0465 5.0465 5.6041 5.6041 6.5386 6.5386 7.0056 7.0056 14.4890 14.4890 16.7771 16.7771 18.4818 18.4818 19.8937 19.8937 k = 0.3906-0.5987-0.3660 ( 4218 PWs) bands (ev): -35.3573 -35.3573 -9.6361 -9.6361 -9.1321 -9.1321 -5.2614 -5.2614 -4.9763 -4.9763 -4.8032 -4.8032 -4.6227 -4.6227 -4.1272 -4.1272 2.0907 2.0907 3.2258 3.2258 5.0635 5.0635 5.5827 5.5827 6.4993 6.4993 6.9991 6.9991 14.4907 14.4907 16.7870 16.7870 18.4722 18.4722 19.9146 19.9146 k = 0.3984-0.6106-0.3734 ( 4220 PWs) bands (ev): -35.3570 -35.3570 -9.6094 -9.6094 -9.1320 -9.1320 -5.2626 -5.2626 -4.9760 -4.9760 -4.8006 -4.8006 -4.6198 -4.6198 -4.1130 -4.1130 2.0473 2.0473 3.1907 3.1907 5.0834 5.0834 5.5626 5.5626 6.4595 6.4595 6.9930 6.9930 14.4898 14.4898 16.7982 16.7982 18.4614 18.4614 19.9351 19.9351 k = 0.4062-0.6226-0.3807 ( 4220 PWs) bands (ev): -35.3566 -35.3566 -9.5845 -9.5845 -9.1316 -9.1316 -5.2638 -5.2638 -4.9759 -4.9759 -4.7981 -4.7981 -4.6170 -4.6170 -4.0997 -4.0997 2.0063 2.0063 3.1576 3.1576 5.1060 5.1060 5.5439 5.5439 6.4194 6.4194 6.9872 6.9872 14.4868 14.4868 16.8104 16.8104 18.4498 18.4498 19.9547 19.9547 k = 0.4141-0.6346-0.3880 ( 4228 PWs) bands (ev): -35.3563 -35.3563 -9.5614 -9.5614 -9.1310 -9.1310 -5.2650 -5.2650 -4.9760 -4.9760 -4.7957 -4.7957 -4.6143 -4.6143 -4.0874 -4.0874 1.9678 1.9678 3.1264 3.1264 5.1308 5.1308 5.5266 5.5266 6.3792 6.3792 6.9818 6.9818 14.4823 14.4823 16.8231 16.8231 18.4378 18.4378 19.9730 19.9730 k = 0.4219-0.6466-0.3953 ( 4229 PWs) bands (ev): -35.3560 -35.3560 -9.5401 -9.5401 -9.1301 -9.1301 -5.2661 -5.2661 -4.9761 -4.9761 -4.7934 -4.7934 -4.6119 -4.6119 -4.0759 -4.0759 1.9321 1.9321 3.0973 3.0973 5.1572 5.1572 5.5108 5.5108 6.3393 6.3393 6.9769 6.9769 14.4766 14.4766 16.8360 16.8360 18.4257 18.4257 19.9894 19.9894 k = 0.4297-0.6585-0.4026 ( 4228 PWs) bands (ev): -35.3557 -35.3557 -9.5208 -9.5208 -9.1291 -9.1291 -5.2672 -5.2672 -4.9764 -4.9764 -4.7913 -4.7913 -4.6097 -4.6097 -4.0655 -4.0655 1.8994 1.8994 3.0704 3.0704 5.1849 5.1849 5.4964 5.4964 6.2999 6.2999 6.9724 6.9724 14.4702 14.4702 16.8488 16.8488 18.4139 18.4139 20.0040 20.0040 k = 0.4375-0.6705-0.4100 ( 4226 PWs) bands (ev): -35.3554 -35.3554 -9.5036 -9.5036 -9.1279 -9.1279 -5.2682 -5.2682 -4.9767 -4.9767 -4.7893 -4.7893 -4.6077 -4.6077 -4.0561 -4.0561 1.8698 1.8698 3.0460 3.0460 5.2130 5.2130 5.4835 5.4835 6.2615 6.2615 6.9683 6.9683 14.4635 14.4635 16.8611 16.8611 18.4026 18.4026 20.0164 20.0164 k = 0.4453-0.6825-0.4173 ( 4224 PWs) bands (ev): -35.3552 -35.3552 -9.4884 -9.4884 -9.1266 -9.1266 -5.2691 -5.2691 -4.9770 -4.9770 -4.7875 -4.7875 -4.6059 -4.6059 -4.0477 -4.0477 1.8434 1.8434 3.0240 3.0240 5.2411 5.2411 5.4722 5.4722 6.2246 6.2246 6.9647 6.9647 14.4568 14.4568 16.8727 16.8727 18.3922 18.3922 20.0268 20.0268 k = 0.4531-0.6944-0.4246 ( 4228 PWs) bands (ev): -35.3550 -35.3550 -9.4752 -9.4752 -9.1253 -9.1253 -5.2699 -5.2699 -4.9774 -4.9774 -4.7860 -4.7860 -4.6043 -4.6043 -4.0404 -4.0404 1.8204 1.8204 3.0047 3.0047 5.2684 5.2684 5.4626 5.4626 6.1898 6.1898 6.9616 6.9616 14.4504 14.4504 16.8832 16.8832 18.3827 18.3827 20.0353 20.0353 k = 0.4609-0.7064-0.4319 ( 4227 PWs) bands (ev): -35.3549 -35.3549 -9.4641 -9.4641 -9.1240 -9.1240 -5.2706 -5.2706 -4.9777 -4.9777 -4.7846 -4.7846 -4.6029 -4.6029 -4.0342 -4.0342 1.8008 1.8008 2.9881 2.9881 5.2939 5.2939 5.4546 5.4546 6.1578 6.1578 6.9589 6.9589 14.4446 14.4446 16.8925 16.8925 18.3745 18.3745 20.0420 20.0420 k = 0.4688-0.7184-0.4392 ( 4221 PWs) bands (ev): -35.3547 -35.3547 -9.4551 -9.4551 -9.1228 -9.1228 -5.2712 -5.2712 -4.9780 -4.9780 -4.7835 -4.7835 -4.6018 -4.6018 -4.0291 -4.0291 1.7847 1.7847 2.9745 2.9745 5.3167 5.3167 5.4483 5.4483 6.1295 6.1295 6.9567 6.9567 14.4395 14.4395 16.9003 16.9003 18.3675 18.3675 20.0471 20.0471 k = 0.4766-0.7304-0.4466 ( 4217 PWs) bands (ev): -35.3546 -35.3546 -9.4481 -9.4481 -9.1218 -9.1218 -5.2717 -5.2717 -4.9782 -4.9782 -4.7826 -4.7826 -4.6009 -4.6009 -4.0251 -4.0251 1.7721 1.7721 2.9637 2.9637 5.3357 5.3357 5.4438 5.4438 6.1060 6.1060 6.9550 6.9550 14.4354 14.4354 16.9065 16.9065 18.3620 18.3620 20.0508 20.0508 k = 0.4844-0.7423-0.4539 ( 4218 PWs) bands (ev): -35.3545 -35.3545 -9.4431 -9.4431 -9.1210 -9.1210 -5.2720 -5.2720 -4.9784 -4.9784 -4.7820 -4.7820 -4.6003 -4.6003 -4.0223 -4.0223 1.7631 1.7631 2.9560 2.9560 5.3499 5.3499 5.4409 5.4409 6.0881 6.0881 6.9537 6.9537 14.4324 14.4324 16.9111 16.9111 18.3581 18.3581 20.0533 20.0533 k = 0.4922-0.7543-0.4612 ( 4222 PWs) bands (ev): -35.3545 -35.3545 -9.4402 -9.4402 -9.1206 -9.1206 -5.2722 -5.2722 -4.9785 -4.9785 -4.7816 -4.7816 -4.5999 -4.5999 -4.0206 -4.0206 1.7577 1.7577 2.9513 2.9513 5.3586 5.3586 5.4395 5.4395 6.0770 6.0770 6.9530 6.9530 14.4305 14.4305 16.9138 16.9138 18.3556 18.3556 20.0548 20.0548 k = 0.5000-0.7663-0.4685 ( 4216 PWs) bands (ev): -35.3545 -35.3545 -9.4392 -9.4392 -9.1204 -9.1204 -5.2723 -5.2723 -4.9785 -4.9785 -4.7815 -4.7815 -4.5998 -4.5998 -4.0200 -4.0200 1.7559 1.7559 2.9498 2.9498 5.3615 5.3615 5.4391 5.4391 6.0732 6.0732 6.9527 6.9527 14.4299 14.4299 16.9147 16.9147 18.3548 18.3548 20.0552 20.0552 k = 0.5000-0.7663-0.4685 ( 4216 PWs) bands (ev): -35.3545 -35.3545 -9.4392 -9.4392 -9.1204 -9.1204 -5.2723 -5.2723 -4.9785 -4.9785 -4.7815 -4.7815 -4.5998 -4.5998 -4.0200 -4.0200 1.7559 1.7559 2.9498 2.9498 5.3615 5.3615 5.4391 5.4391 6.0732 6.0732 6.9527 6.9527 14.4299 14.4299 16.9147 16.9147 18.3548 18.3548 20.0552 20.0552 k = 0.5000-0.7579-0.4822 ( 4214 PWs) bands (ev): -35.3545 -35.3545 -9.4388 -9.4388 -9.1205 -9.1205 -5.2720 -5.2720 -4.9785 -4.9785 -4.7812 -4.7812 -4.5998 -4.5998 -4.0202 -4.0202 1.7564 1.7564 2.9508 2.9508 5.3598 5.3598 5.4333 5.4333 6.0768 6.0768 6.9516 6.9516 14.4329 14.4329 16.9180 16.9180 18.3543 18.3543 20.0534 20.0534 k = 0.5000-0.7496-0.4958 ( 4214 PWs) bands (ev): -35.3545 -35.3545 -9.4378 -9.4378 -9.1207 -9.1207 -5.2711 -5.2711 -4.9784 -4.9784 -4.7804 -4.7804 -4.6000 -4.6000 -4.0209 -4.0209 1.7578 1.7578 2.9540 2.9540 5.3542 5.3542 5.4166 5.4166 6.0873 6.0873 6.9482 6.9482 14.4416 14.4416 16.9278 16.9278 18.3529 18.3529 20.0479 20.0479 k = 0.5000-0.7413-0.5095 ( 4218 PWs) bands (ev): -35.3544 -35.3544 -9.4361 -9.4361 -9.1210 -9.1210 -5.2697 -5.2697 -4.9782 -4.9782 -4.7790 -4.7790 -4.6001 -4.6001 -4.0220 -4.0220 1.7601 1.7601 2.9592 2.9592 5.3432 5.3432 5.3917 5.3917 6.1036 6.1036 6.9427 6.9427 14.4562 14.4562 16.9440 16.9440 18.3505 18.3505 20.0387 20.0387 k = 0.5000-0.7329-0.5231 ( 4220 PWs) bands (ev): -35.3544 -35.3544 -9.4337 -9.4337 -9.1215 -9.1215 -5.2677 -5.2677 -4.9780 -4.9780 -4.7770 -4.7770 -4.6004 -4.6004 -4.0236 -4.0236 1.7634 1.7634 2.9665 2.9665 5.3219 5.3219 5.3650 5.3650 6.1243 6.1243 6.9351 6.9351 14.4763 14.4763 16.9665 16.9665 18.3471 18.3471 20.0259 20.0259 k = 0.5000-0.7246-0.5367 ( 4218 PWs) bands (ev): -35.3544 -35.3544 -9.4307 -9.4307 -9.1221 -9.1221 -5.2651 -5.2651 -4.9777 -4.9777 -4.7745 -4.7745 -4.6006 -4.6006 -4.0256 -4.0256 1.7675 1.7675 2.9758 2.9758 5.2848 5.2848 5.3436 5.3436 6.1479 6.1479 6.9257 6.9257 14.5017 14.5017 16.9952 16.9952 18.3427 18.3427 20.0095 20.0095 k = 0.5000-0.7162-0.5504 ( 4214 PWs) bands (ev): -35.3543 -35.3543 -9.4270 -9.4270 -9.1229 -9.1229 -5.2619 -5.2619 -4.9774 -4.9774 -4.7714 -4.7714 -4.6010 -4.6010 -4.0281 -4.0281 1.7725 1.7725 2.9872 2.9872 5.2357 5.2357 5.3249 5.3249 6.1733 6.1733 6.9145 6.9145 14.5322 14.5322 17.0298 17.0298 18.3372 18.3372 19.9896 19.9896 k = 0.5000-0.7079-0.5640 ( 4214 PWs) bands (ev): -35.3542 -35.3542 -9.4226 -9.4226 -9.1237 -9.1237 -5.2583 -5.2583 -4.9772 -4.9772 -4.7678 -4.7678 -4.6013 -4.6013 -4.0310 -4.0310 1.7784 1.7784 3.0006 3.0006 5.1793 5.1793 5.3053 5.3053 6.1997 6.1997 6.9020 6.9020 14.5674 14.5674 17.0700 17.0700 18.3307 18.3307 19.9662 19.9662 k = 0.5000-0.6995-0.5777 ( 4216 PWs) bands (ev): -35.3542 -35.3542 -9.4177 -9.4177 -9.1248 -9.1248 -5.2541 -5.2541 -4.9769 -4.9769 -4.7636 -4.7636 -4.6015 -4.6015 -4.0344 -4.0344 1.7851 1.7851 3.0160 3.0160 5.1178 5.1178 5.2835 5.2835 6.2264 6.2264 6.8883 6.8883 14.6069 14.6069 17.1156 17.1156 18.3231 18.3231 19.9396 19.9396 k = 0.5000-0.6912-0.5913 ( 4214 PWs) bands (ev): -35.3541 -35.3541 -9.4121 -9.4121 -9.1259 -9.1259 -5.2494 -5.2494 -4.9767 -4.9767 -4.7588 -4.7588 -4.6017 -4.6017 -4.0382 -4.0382 1.7926 1.7926 3.0334 3.0334 5.0524 5.0524 5.2591 5.2591 6.2530 6.2530 6.8738 6.8738 14.6501 14.6501 17.1661 17.1661 18.3145 18.3145 19.9097 19.9097 k = 0.5000-0.6829-0.6050 ( 4216 PWs) bands (ev): -35.3540 -35.3540 -9.4060 -9.4060 -9.1272 -9.1272 -5.2443 -5.2443 -4.9766 -4.9766 -4.7536 -4.7536 -4.6018 -4.6018 -4.0425 -4.0425 1.8008 1.8008 3.0527 3.0527 4.9838 4.9838 5.2318 5.2318 6.2790 6.2790 6.8586 6.8586 14.6967 14.6967 17.2212 17.2212 18.3047 18.3047 19.8769 19.8769 k = 0.5000-0.6745-0.6186 ( 4216 PWs) bands (ev): -35.3539 -35.3539 -9.3993 -9.3993 -9.1285 -9.1285 -5.2387 -5.2387 -4.9767 -4.9767 -4.7478 -4.7478 -4.6017 -4.6017 -4.0473 -4.0473 1.8097 1.8097 3.0739 3.0739 4.9128 4.9128 5.2016 5.2016 6.3044 6.3044 6.8432 6.8432 14.7461 14.7461 17.2806 17.2806 18.2938 18.2938 19.8412 19.8412 k = 0.5000-0.6662-0.6323 ( 4216 PWs) bands (ev): -35.3538 -35.3538 -9.3922 -9.3922 -9.1300 -9.1300 -5.2327 -5.2327 -4.9768 -4.9768 -4.7417 -4.7417 -4.6014 -4.6014 -4.0525 -4.0525 1.8193 1.8193 3.0970 3.0970 4.8400 4.8400 5.1684 5.1684 6.3290 6.3290 6.8277 6.8277 14.7976 14.7976 17.3435 17.3435 18.2819 18.2819 19.8030 19.8030 k = 0.5000-0.6578-0.6459 ( 4218 PWs) bands (ev): -35.3537 -35.3537 -9.3845 -9.3845 -9.1316 -9.1316 -5.2264 -5.2264 -4.9771 -4.9771 -4.7352 -4.7352 -4.6007 -4.6007 -4.0582 -4.0582 1.8293 1.8293 3.1219 3.1219 4.7658 4.7658 5.1321 5.1321 6.3526 6.3526 6.8125 6.8125 14.8508 14.8508 17.4097 17.4097 18.2689 18.2689 19.7625 19.7625 k = 0.5000-0.6495-0.6596 ( 4222 PWs) bands (ev): -35.3536 -35.3536 -9.3764 -9.3764 -9.1333 -9.1333 -5.2196 -5.2196 -4.9776 -4.9776 -4.7284 -4.7284 -4.5996 -4.5996 -4.0644 -4.0644 1.8399 1.8399 3.1485 3.1485 4.6908 4.6908 5.0930 5.0930 6.3753 6.3753 6.7977 6.7977 14.9050 14.9050 17.4785 17.4785 18.2548 18.2548 19.7201 19.7201 k = 0.5000-0.6411-0.6732 ( 4224 PWs) bands (ev): -35.3534 -35.3534 -9.3678 -9.3678 -9.1351 -9.1351 -5.2126 -5.2126 -4.9783 -4.9783 -4.7215 -4.7215 -4.5979 -4.5979 -4.0710 -4.0710 1.8508 1.8508 3.1769 3.1769 4.6153 4.6153 5.0510 5.0510 6.3971 6.3971 6.7836 6.7836 14.9596 14.9596 17.5492 17.5492 18.2398 18.2398 19.6762 19.6762 k = 0.5000-0.6328-0.6868 ( 4226 PWs) bands (ev): -35.3533 -35.3533 -9.3589 -9.3589 -9.1370 -9.1370 -5.2053 -5.2053 -4.9792 -4.9792 -4.7146 -4.7146 -4.5955 -4.5955 -4.0781 -4.0781 1.8621 1.8621 3.2068 3.2068 4.5399 4.5399 5.0064 5.0064 6.4179 6.4179 6.7702 6.7702 15.0139 15.0139 17.6213 17.6213 18.2241 18.2241 19.6312 19.6312 k = 0.5000-0.6245-0.7005 ( 4226 PWs) bands (ev): -35.3532 -35.3532 -9.3497 -9.3497 -9.1390 -9.1390 -5.1977 -5.1977 -4.9803 -4.9803 -4.7080 -4.7080 -4.5922 -4.5922 -4.0857 -4.0857 1.8734 1.8734 3.2383 3.2383 4.4650 4.4650 4.9592 4.9592 6.4378 6.4378 6.7579 6.7579 15.0673 15.0673 17.6940 17.6940 18.2076 18.2076 19.5857 19.5857 k = 0.5000-0.6161-0.7141 ( 4218 PWs) bands (ev): -35.3531 -35.3531 -9.3402 -9.3402 -9.1411 -9.1411 -5.1900 -5.1900 -4.9817 -4.9817 -4.7017 -4.7017 -4.5878 -4.5878 -4.0938 -4.0938 1.8848 1.8848 3.2712 3.2712 4.3910 4.3910 4.9099 4.9099 6.4567 6.4567 6.7465 6.7465 15.1192 15.1192 17.7664 17.7664 18.1907 18.1907 19.5403 19.5403 k = 0.5000-0.6078-0.7278 ( 4218 PWs) bands (ev): -35.3529 -35.3529 -9.3305 -9.3305 -9.1433 -9.1433 -5.1820 -5.1820 -4.9832 -4.9832 -4.6959 -4.6959 -4.5822 -4.5822 -4.1023 -4.1023 1.8961 1.8961 3.3054 3.3054 4.3185 4.3185 4.8585 4.8585 6.4747 6.4747 6.7362 6.7362 15.1691 15.1691 17.8376 17.8376 18.1735 18.1735 19.4958 19.4958 k = 0.5000-0.5994-0.7414 ( 4212 PWs) bands (ev): -35.3528 -35.3528 -9.3206 -9.3206 -9.1455 -9.1455 -5.1740 -5.1740 -4.9850 -4.9850 -4.6908 -4.6908 -4.5753 -4.5753 -4.1113 -4.1113 1.9071 1.9071 3.3408 3.3408 4.2477 4.2477 4.8056 4.8056 6.4918 6.4918 6.7271 6.7271 15.2162 15.2162 17.9063 17.9063 18.1564 18.1564 19.4532 19.4532 k = 0.5000-0.5911-0.7551 ( 4212 PWs) bands (ev): -35.3527 -35.3527 -9.3105 -9.3105 -9.1478 -9.1478 -5.1659 -5.1659 -4.9871 -4.9871 -4.6865 -4.6865 -4.5671 -4.5671 -4.1207 -4.1207 1.9177 1.9177 3.3772 3.3772 4.1793 4.1793 4.7514 4.7514 6.5081 6.5081 6.7190 6.7190 15.2601 15.2601 17.9712 17.9712 18.1399 18.1399 19.4134 19.4134 k = 0.5000-0.5827-0.7687 ( 4214 PWs) bands (ev): -35.3525 -35.3525 -9.3004 -9.3004 -9.1501 -9.1501 -5.1577 -5.1577 -4.9893 -4.9893 -4.6829 -4.6829 -4.5575 -4.5575 -4.1306 -4.1306 1.9276 1.9276 3.4144 3.4144 4.1136 4.1136 4.6963 4.6963 6.5234 6.5234 6.7120 6.7120 15.3004 15.3004 18.0297 18.0297 18.1253 18.1253 19.3777 19.3777 k = 0.5000-0.5744-0.7824 ( 4216 PWs) bands (ev): -35.3524 -35.3524 -9.2903 -9.2903 -9.1525 -9.1525 -5.1495 -5.1495 -4.9918 -4.9918 -4.6801 -4.6801 -4.5467 -4.5467 -4.1409 -4.1409 1.9367 1.9367 3.4521 3.4521 4.0511 4.0511 4.6410 4.6410 6.5379 6.5379 6.7061 6.7061 15.3365 15.3365 18.0731 18.0731 18.1200 18.1200 19.3476 19.3476 k = 0.5000-0.5661-0.7960 ( 4224 PWs) bands (ev): -35.3523 -35.3523 -9.2802 -9.2802 -9.1550 -9.1550 -5.1414 -5.1414 -4.9945 -4.9945 -4.6778 -4.6778 -4.5349 -4.5349 -4.1516 -4.1516 1.9447 1.9447 3.4900 3.4900 3.9923 3.9923 4.5860 4.5860 6.5516 6.5516 6.7011 6.7011 15.3681 15.3681 18.0787 18.0787 18.1454 18.1454 19.3245 19.3245 k = 0.5000-0.5577-0.8096 ( 4226 PWs) bands (ev): -35.3522 -35.3522 -9.2703 -9.2703 -9.1575 -9.1575 -5.1334 -5.1334 -4.9974 -4.9974 -4.6761 -4.6761 -4.5221 -4.5221 -4.1628 -4.1628 1.9515 1.9515 3.5275 3.5275 3.9376 3.9376 4.5320 4.5320 6.5644 6.5644 6.6971 6.6971 15.3950 15.3950 18.0680 18.0680 18.1784 18.1784 19.3101 19.3101 k = 0.5000-0.5494-0.8233 ( 4218 PWs) bands (ev): -35.3520 -35.3520 -9.2605 -9.2605 -9.1600 -9.1600 -5.1254 -5.1254 -5.0005 -5.0005 -4.6748 -4.6748 -4.5085 -4.5085 -4.1742 -4.1742 1.9567 1.9567 3.5641 3.5641 3.8874 3.8874 4.4798 4.4798 6.5764 6.5764 6.6939 6.6939 15.4169 15.4169 18.0559 18.0559 18.2032 18.2032 19.3055 19.3055 k = 0.5000-0.5410-0.8369 ( 4226 PWs) bands (ev): -35.3519 -35.3519 -9.2510 -9.2510 -9.1626 -9.1626 -5.1177 -5.1177 -5.0037 -5.0037 -4.6738 -4.6738 -4.4944 -4.4944 -4.1860 -4.1860 1.9604 1.9604 3.5988 3.5988 3.8421 3.8421 4.4307 4.4307 6.5875 6.5875 6.6914 6.6914 15.4338 15.4338 18.0445 18.0445 18.2170 18.2170 19.3114 19.3114 k = 0.5000-0.5327-0.8506 ( 4226 PWs) bands (ev): -35.3518 -35.3518 -9.2419 -9.2419 -9.1652 -9.1652 -5.1102 -5.1102 -5.0071 -5.0071 -4.6730 -4.6730 -4.4799 -4.4799 -4.1981 -4.1981 1.9622 1.9622 3.6305 3.6305 3.8022 3.8022 4.3859 4.3859 6.5978 6.5978 6.6896 6.6896 15.4456 15.4456 18.0342 18.0342 18.2194 18.2194 19.3277 19.3277 k = 0.5000-0.5243-0.8642 ( 4234 PWs) bands (ev): -35.3517 -35.3517 -9.2331 -9.2331 -9.1678 -9.1678 -5.1030 -5.1030 -5.0106 -5.0106 -4.6724 -4.6724 -4.4652 -4.4652 -4.2103 -4.2103 1.9622 1.9622 3.6574 3.6574 3.7681 3.7681 4.3472 4.3472 6.6073 6.6073 6.6884 6.6884 15.4525 15.4525 18.0253 18.0253 18.2111 18.2111 19.3535 19.3535 k = 0.5000-0.5160-0.8779 ( 4240 PWs) bands (ev): -35.3517 -35.3517 -9.2248 -9.2248 -9.1704 -9.1704 -5.0961 -5.0961 -5.0141 -5.0141 -4.6720 -4.6720 -4.4505 -4.4505 -4.2226 -4.2226 1.9601 1.9601 3.6774 3.6774 3.7404 3.7404 4.3167 4.3167 6.6160 6.6160 6.6876 6.6876 15.4547 15.4547 18.0178 18.0178 18.1934 18.1934 19.3876 19.3876 k = 0.5000-0.5077-0.8915 ( 4242 PWs) bands (ev): -35.3516 -35.3516 -9.2171 -9.2171 -9.1730 -9.1730 -5.0896 -5.0896 -5.0177 -5.0177 -4.6716 -4.6716 -4.4360 -4.4360 -4.2348 -4.2348 1.9560 1.9560 3.6872 3.6872 3.7204 3.7204 4.2967 4.2967 6.6238 6.6238 6.6873 6.6873 15.4523 15.4523 18.0115 18.0115 18.1680 18.1680 19.4281 19.4281 k = 0.5000-0.4993-0.9052 ( 4244 PWs) bands (ev): -35.3515 -35.3515 -9.2100 -9.2100 -9.1756 -9.1756 -5.0836 -5.0836 -5.0212 -5.0212 -4.6713 -4.6713 -4.4221 -4.4221 -4.2467 -4.2467 1.9500 1.9500 3.6844 3.6844 3.7091 3.7091 4.2887 4.2887 6.6307 6.6307 6.6872 6.6872 15.4458 15.4458 18.0064 18.0064 18.1367 18.1367 19.4735 19.4735 k = 0.5000-0.4910-0.9188 ( 4244 PWs) bands (ev): -35.3515 -35.3515 -9.2035 -9.2035 -9.1782 -9.1782 -5.0783 -5.0783 -5.0245 -5.0245 -4.6711 -4.6711 -4.4091 -4.4091 -4.2579 -4.2579 1.9423 1.9423 3.6752 3.6752 3.6999 3.6999 4.2936 4.2936 6.6368 6.6368 6.6874 6.6874 15.4354 15.4354 18.0017 18.0017 18.1013 18.1013 19.5221 19.5221 k = 0.5000-0.4826-0.9325 ( 4242 PWs) bands (ev): -35.3514 -35.3514 -9.1979 -9.1979 -9.1808 -9.1808 -5.0738 -5.0738 -5.0275 -5.0275 -4.6709 -4.6709 -4.3978 -4.3978 -4.2678 -4.2678 1.9329 1.9329 3.6629 3.6629 3.6901 3.6901 4.3106 4.3106 6.6421 6.6421 6.6877 6.6877 15.4216 15.4216 17.9961 17.9961 18.0646 18.0646 19.5728 19.5728 k = 0.5000-0.4743-0.9461 ( 4242 PWs) bands (ev): -35.3514 -35.3514 -9.1931 -9.1931 -9.1834 -9.1834 -5.0704 -5.0704 -5.0297 -5.0297 -4.6707 -4.6707 -4.3891 -4.3891 -4.2757 -4.2757 1.9222 1.9222 3.6426 3.6426 3.6866 3.6866 4.3378 4.3378 6.6464 6.6464 6.6881 6.6881 15.4048 15.4048 17.9841 17.9841 18.0328 18.0328 19.6245 19.6245 k = 0.5000-0.4659-0.9597 ( 4242 PWs) bands (ev): -35.3514 -35.3514 -9.1894 -9.1894 -9.1858 -9.1858 -5.0685 -5.0685 -5.0311 -5.0311 -4.6706 -4.6706 -4.3840 -4.3840 -4.2803 -4.2803 1.9104 1.9104 3.6146 3.6146 3.6910 3.6910 4.3734 4.3734 6.6500 6.6500 6.6884 6.6884 15.3855 15.3855 17.9554 17.9554 18.0171 18.0171 19.6763 19.6763 k = 0.5000-0.4576-0.9734 ( 4242 PWs) bands (ev): -35.3514 -35.3514 -9.1888 -9.1888 -9.1861 -9.1861 -5.0683 -5.0683 -5.0312 -5.0312 -4.6704 -4.6704 -4.3836 -4.3836 -4.2809 -4.2809 1.8980 1.8980 3.5822 3.5822 3.7016 3.7016 4.4154 4.4154 6.6527 6.6527 6.6887 6.6887 15.3640 15.3640 17.9152 17.9152 18.0127 18.0127 19.7275 19.7275 k = 0.5000-0.4493-0.9870 ( 4240 PWs) bands (ev): -35.3514 -35.3514 -9.1911 -9.1911 -9.1844 -9.1844 -5.0696 -5.0696 -5.0301 -5.0301 -4.6703 -4.6703 -4.3878 -4.3878 -4.2773 -4.2773 1.8853 1.8853 3.5479 3.5479 3.7174 3.7174 4.4623 4.4623 6.6546 6.6546 6.6888 6.6888 15.3408 15.3408 17.8716 17.8716 18.0121 18.0121 19.7774 19.7774 k = 0.5000-0.4409-1.0007 ( 4236 PWs) bands (ev): -35.3514 -35.3514 -9.1935 -9.1935 -9.1838 -9.1838 -5.0722 -5.0722 -5.0283 -5.0283 -4.6703 -4.6703 -4.3957 -4.3957 -4.2707 -4.2707 1.8726 1.8726 3.5129 3.5129 3.7380 3.7380 4.5129 4.5129 6.6557 6.6557 6.6887 6.6887 15.3162 15.3162 17.8269 17.8269 18.0130 18.0130 19.8254 19.8254 k = 0.5000-0.4326-1.0143 ( 4228 PWs) bands (ev): -35.3515 -35.3515 -9.1960 -9.1960 -9.1844 -9.1844 -5.0758 -5.0758 -5.0260 -5.0260 -4.6703 -4.6703 -4.4061 -4.4061 -4.2623 -4.2623 1.8604 1.8604 3.4784 3.4784 3.7629 3.7629 4.5665 4.5665 6.6559 6.6559 6.6883 6.6883 15.2907 15.2907 17.7823 17.7823 18.0147 18.0147 19.8703 19.8703 k = 0.5000-0.4242-1.0280 ( 4226 PWs) bands (ev): -35.3515 -35.3515 -9.1983 -9.1983 -9.1862 -9.1862 -5.0799 -5.0799 -5.0235 -5.0235 -4.6703 -4.6703 -4.4179 -4.4179 -4.2531 -4.2531 1.8489 1.8489 3.4452 3.4452 3.7916 3.7916 4.6224 4.6224 6.6554 6.6554 6.6875 6.6875 15.2646 15.2646 17.7382 17.7382 18.0170 18.0170 19.9087 19.9087 k = 0.8131-0.3311-0.8461 ( 4226 PWs) bands (ev): -35.3515 -35.3515 -9.1983 -9.1983 -9.1862 -9.1862 -5.0799 -5.0799 -5.0235 -5.0235 -4.6703 -4.6703 -4.4179 -4.4179 -4.2531 -4.2531 1.8489 1.8489 3.4452 3.4452 3.7916 3.7916 4.6224 4.6224 6.6554 6.6554 6.6875 6.6875 15.2646 15.2646 17.7382 17.7382 18.0170 18.0170 19.9087 19.9087 k = 0.8085-0.3241-0.8324 ( 4226 PWs) bands (ev): -35.3516 -35.3516 -9.2007 -9.2007 -9.1894 -9.1894 -5.0845 -5.0845 -5.0209 -5.0209 -4.6704 -4.6704 -4.4309 -4.4309 -4.2436 -4.2436 1.8383 1.8383 3.4134 3.4134 3.8243 3.8243 4.6806 4.6806 6.6542 6.6542 6.6864 6.6864 15.2379 15.2379 17.6945 17.6945 18.0196 18.0196 19.9328 19.9328 k = 0.8039-0.3170-0.8186 ( 4232 PWs) bands (ev): -35.3517 -35.3517 -9.2030 -9.2030 -9.1940 -9.1940 -5.0894 -5.0894 -5.0185 -5.0185 -4.6707 -4.6707 -4.4443 -4.4443 -4.2344 -4.2344 1.8292 1.8292 3.3840 3.3840 3.8603 3.8603 4.7403 4.7403 6.6522 6.6522 6.6848 6.6848 15.2112 15.2112 17.6519 17.6519 18.0224 18.0224 19.9434 19.9434 k = 0.7993-0.3100-0.8048 ( 4226 PWs) bands (ev): -35.3518 -35.3518 -9.2053 -9.2053 -9.2001 -9.2001 -5.0945 -5.0945 -5.0163 -5.0163 -4.6710 -4.6710 -4.4580 -4.4580 -4.2257 -4.2257 1.8217 1.8217 3.3573 3.3573 3.8992 3.8992 4.8013 4.8013 6.6496 6.6496 6.6828 6.6828 15.1847 15.1847 17.6105 17.6105 18.0254 18.0254 19.9493 19.9493 k = 0.7947-0.3029-0.7910 ( 4222 PWs) bands (ev): -35.3520 -35.3520 -9.2085 -9.2085 -9.2067 -9.2067 -5.0998 -5.0998 -5.0142 -5.0142 -4.6714 -4.6714 -4.4717 -4.4717 -4.2178 -4.2178 1.8162 1.8162 3.3336 3.3336 3.9407 3.9407 4.8631 4.8631 6.6463 6.6463 6.6802 6.6802 15.1587 15.1587 17.5706 17.5706 18.0284 18.0284 19.9542 19.9542 k = 0.7901-0.2958-0.7772 ( 4224 PWs) bands (ev): -35.3521 -35.3521 -9.2171 -9.2171 -9.2094 -9.2094 -5.1051 -5.1051 -5.0124 -5.0124 -4.6721 -4.6721 -4.4854 -4.4854 -4.2107 -4.2107 1.8128 1.8128 3.3132 3.3132 3.9846 3.9846 4.9257 4.9257 6.6425 6.6425 6.6771 6.6771 15.1333 15.1333 17.5322 17.5322 18.0313 18.0313 19.9591 19.9591 k = 0.7855-0.2888-0.7635 ( 4222 PWs) bands (ev): -35.3523 -35.3523 -9.2277 -9.2277 -9.2116 -9.2116 -5.1105 -5.1105 -5.0109 -5.0109 -4.6728 -4.6728 -4.4989 -4.4989 -4.2047 -4.2047 1.8116 1.8116 3.2962 3.2962 4.0306 4.0306 4.9888 4.9888 6.6382 6.6382 6.6734 6.6734 15.1087 15.1087 17.4953 17.4953 18.0342 18.0342 19.9644 19.9644 k = 0.7809-0.2817-0.7497 ( 4226 PWs) bands (ev): -35.3525 -35.3525 -9.2400 -9.2400 -9.2136 -9.2136 -5.1159 -5.1159 -5.0095 -5.0095 -4.6738 -4.6738 -4.5121 -4.5121 -4.1997 -4.1997 1.8130 1.8130 3.2828 3.2828 4.0783 4.0783 5.0523 5.0523 6.6335 6.6335 6.6691 6.6691 15.0849 15.0849 17.4601 17.4601 18.0370 18.0370 19.9703 19.9703 k = 0.7762-0.2747-0.7359 ( 4226 PWs) bands (ev): -35.3528 -35.3528 -9.2540 -9.2540 -9.2155 -9.2155 -5.1213 -5.1213 -5.0084 -5.0084 -4.6749 -4.6749 -4.5251 -4.5251 -4.1959 -4.1959 1.8168 1.8168 3.2732 3.2732 4.1276 4.1276 5.1161 5.1161 6.6285 6.6285 6.6641 6.6641 15.0622 15.0622 17.4266 17.4266 18.0397 18.0397 19.9770 19.9770 k = 0.7716-0.2676-0.7221 ( 4220 PWs) bands (ev): -35.3530 -35.3530 -9.2696 -9.2696 -9.2174 -9.2174 -5.1267 -5.1267 -5.0075 -5.0075 -4.6763 -4.6763 -4.5377 -4.5377 -4.1933 -4.1933 1.8234 1.8234 3.2675 3.2675 4.1782 4.1782 5.1801 5.1801 6.6233 6.6233 6.6585 6.6585 15.0404 15.0404 17.3947 17.3947 18.0422 18.0422 19.9848 19.9848 k = 0.7670-0.2606-0.7083 ( 4222 PWs) bands (ev): -35.3533 -35.3533 -9.2867 -9.2867 -9.2192 -9.2192 -5.1321 -5.1321 -5.0069 -5.0069 -4.6779 -4.6779 -4.5498 -4.5498 -4.1919 -4.1919 1.8326 1.8326 3.2657 3.2657 4.2298 4.2298 5.2440 5.2440 6.6180 6.6180 6.6523 6.6523 15.0198 15.0198 17.3645 17.3645 18.0445 18.0445 19.9938 19.9938 k = 0.7624-0.2535-0.6946 ( 4222 PWs) bands (ev): -35.3536 -35.3536 -9.3056 -9.3056 -9.2210 -9.2210 -5.1374 -5.1374 -5.0064 -5.0064 -4.6798 -4.6798 -4.5616 -4.5616 -4.1919 -4.1919 1.8447 1.8447 3.2679 3.2679 4.2822 4.2822 5.3079 5.3079 6.6128 6.6128 6.6453 6.6453 15.0002 15.0002 17.3358 17.3358 18.0466 18.0466 20.0042 20.0042 k = 0.7578-0.2465-0.6808 ( 4216 PWs) bands (ev): -35.3539 -35.3539 -9.3260 -9.3260 -9.2227 -9.2227 -5.1426 -5.1426 -5.0061 -5.0061 -4.6819 -4.6819 -4.5729 -4.5729 -4.1930 -4.1930 1.8595 1.8595 3.2743 3.2743 4.3353 4.3353 5.3716 5.3716 6.6076 6.6076 6.6378 6.6378 14.9816 14.9816 17.3088 17.3088 18.0485 18.0485 20.0161 20.0161 k = 0.7532-0.2394-0.6670 ( 4214 PWs) bands (ev): -35.3542 -35.3542 -9.3479 -9.3479 -9.2243 -9.2243 -5.1477 -5.1477 -5.0060 -5.0060 -4.6844 -4.6844 -4.5837 -4.5837 -4.1955 -4.1955 1.8771 1.8771 3.2847 3.2847 4.3888 4.3888 5.4350 5.4350 6.6028 6.6028 6.6295 6.6295 14.9640 14.9640 17.2833 17.2833 18.0503 18.0503 20.0298 20.0298 k = 0.7486-0.2323-0.6532 ( 4218 PWs) bands (ev): -35.3546 -35.3546 -9.3714 -9.3714 -9.2259 -9.2259 -5.1527 -5.1527 -5.0060 -5.0060 -4.6871 -4.6871 -4.5939 -4.5939 -4.1992 -4.1992 1.8975 1.8975 3.2993 3.2993 4.4424 4.4424 5.4981 5.4981 6.5983 6.5983 6.6207 6.6207 14.9473 14.9473 17.2592 17.2592 18.0519 18.0519 20.0455 20.0455 k = 0.7440-0.2253-0.6394 ( 4216 PWs) bands (ev): -35.3550 -35.3550 -9.3964 -9.3964 -9.2274 -9.2274 -5.1576 -5.1576 -5.0063 -5.0063 -4.6901 -4.6901 -4.6037 -4.6037 -4.2042 -4.2042 1.9207 1.9207 3.3180 3.3180 4.4960 4.4960 5.5606 5.5606 6.5943 6.5943 6.6112 6.6112 14.9314 14.9314 17.2363 17.2363 18.0535 18.0535 20.0633 20.0633 k = 0.7394-0.2182-0.6257 ( 4218 PWs) bands (ev): -35.3554 -35.3554 -9.4229 -9.4229 -9.2288 -9.2288 -5.1624 -5.1624 -5.0067 -5.0067 -4.6934 -4.6934 -4.6129 -4.6129 -4.2103 -4.2103 1.9466 1.9466 3.3407 3.3407 4.5493 4.5493 5.6227 5.6227 6.5908 6.5908 6.6014 6.6014 14.9162 14.9162 17.2147 17.2147 18.0552 18.0552 20.0833 20.0833 k = 0.7348-0.2112-0.6119 ( 4212 PWs) bands (ev): -35.3558 -35.3558 -9.4507 -9.4507 -9.2302 -9.2302 -5.1670 -5.1670 -5.0072 -5.0072 -4.6971 -4.6971 -4.6216 -4.6216 -4.2177 -4.2177 1.9752 1.9752 3.3676 3.3676 4.6023 4.6023 5.6841 5.6841 6.5863 6.5863 6.5929 6.5929 14.9014 14.9014 17.1941 17.1941 18.0570 18.0570 20.1058 20.1058 k = 0.7302-0.2041-0.5981 ( 4220 PWs) bands (ev): -35.3562 -35.3562 -9.4799 -9.4799 -9.2315 -9.2315 -5.1715 -5.1715 -5.0079 -5.0079 -4.7011 -4.7011 -4.6297 -4.6297 -4.2262 -4.2262 2.0063 2.0063 3.3985 3.3985 4.6546 4.6546 5.7448 5.7448 6.5770 6.5770 6.5896 6.5896 14.8870 14.8870 17.1744 17.1744 18.0591 18.0591 20.1307 20.1307 k = 0.7256-0.1971-0.5843 ( 4216 PWs) bands (ev): -35.3567 -35.3567 -9.5103 -9.5103 -9.2327 -9.2327 -5.1759 -5.1759 -5.0088 -5.0088 -4.7054 -4.7054 -4.6373 -4.6373 -4.2357 -4.2357 2.0400 2.0400 3.4333 3.4333 4.7061 4.7061 5.8047 5.8047 6.5654 6.5654 6.5892 6.5892 14.8727 14.8727 17.1554 17.1554 18.0617 18.0617 20.1580 20.1580 k = 0.7210-0.1900-0.5705 ( 4216 PWs) bands (ev): -35.3572 -35.3572 -9.5418 -9.5418 -9.2339 -9.2339 -5.1800 -5.1800 -5.0099 -5.0099 -4.7099 -4.7099 -4.6443 -4.6443 -4.2463 -4.2463 2.0760 2.0760 3.4720 3.4720 4.7566 4.7566 5.8637 5.8637 6.5530 6.5530 6.5905 6.5905 14.8583 14.8583 17.1368 17.1368 18.0649 18.0649 20.1859 20.1859 k = 0.7164-0.1829-0.5567 ( 4210 PWs) bands (ev): -35.3576 -35.3576 -9.5745 -9.5745 -9.2350 -9.2350 -5.1841 -5.1841 -5.0112 -5.0112 -4.7147 -4.7147 -4.6508 -4.6508 -4.2578 -4.2578 2.1143 2.1143 3.5144 3.5144 4.8061 4.8061 5.9219 5.9219 6.5400 6.5400 6.5934 6.5934 14.8436 14.8436 17.1185 17.1185 18.0692 18.0692 20.1840 20.1840 k = 0.7118-0.1759-0.5430 ( 4212 PWs) bands (ev): -35.3582 -35.3582 -9.6082 -9.6082 -9.2361 -9.2361 -5.1879 -5.1879 -5.0127 -5.0127 -4.7198 -4.7198 -4.6569 -4.6569 -4.2702 -4.2702 2.1548 2.1548 3.5606 3.5606 4.8543 4.8543 5.9790 5.9790 6.5265 6.5265 6.5980 6.5980 14.8282 14.8282 17.1002 17.1002 18.0747 18.0747 20.1541 20.1541 k = 0.7072-0.1688-0.5292 ( 4208 PWs) bands (ev): -35.3587 -35.3587 -9.6428 -9.6428 -9.2371 -9.2371 -5.1917 -5.1917 -5.0144 -5.0144 -4.7250 -4.7250 -4.6625 -4.6625 -4.2833 -4.2833 2.1973 2.1973 3.6103 3.6103 4.9012 4.9012 6.0351 6.0351 6.5125 6.5125 6.6043 6.6043 14.8120 14.8120 17.0816 17.0816 18.0817 18.0817 20.1197 20.1197 k = 0.7026-0.1618-0.5154 ( 4206 PWs) bands (ev): -35.3592 -35.3592 -9.6782 -9.6782 -9.2381 -9.2381 -5.1952 -5.1952 -5.0164 -5.0164 -4.7304 -4.7304 -4.6677 -4.6677 -4.2972 -4.2972 2.2417 2.2417 3.6635 3.6635 4.9467 4.9467 6.0900 6.0900 6.4982 6.4982 6.6125 6.6125 14.7947 14.7947 17.0623 17.0623 18.0906 18.0906 20.0826 20.0826 k = 0.6980-0.1547-0.5016 ( 4208 PWs) bands (ev): -35.3598 -35.3598 -9.7144 -9.7144 -9.2391 -9.2391 -5.1987 -5.1987 -5.0186 -5.0186 -4.7359 -4.7359 -4.6725 -4.6725 -4.3117 -4.3117 2.2878 2.2878 3.7200 3.7200 4.9908 4.9908 6.1438 6.1438 6.4836 6.4836 6.6226 6.6226 14.7760 14.7760 17.0422 17.0422 18.1018 18.1018 20.0436 20.0436 k = 0.6934-0.1477-0.4878 ( 4208 PWs) bands (ev): -35.3604 -35.3604 -9.7512 -9.7512 -9.2400 -9.2400 -5.2020 -5.2020 -5.0211 -5.0211 -4.7414 -4.7414 -4.6770 -4.6770 -4.3268 -4.3268 2.3354 2.3354 3.7797 3.7797 5.0334 5.0334 6.1963 6.1963 6.4687 6.4687 6.6347 6.6347 14.7555 14.7555 17.0208 17.0208 18.1157 18.1157 20.0037 20.0037 k = 0.6888-0.1406-0.4741 ( 4208 PWs) bands (ev): -35.3609 -35.3609 -9.7886 -9.7886 -9.2408 -9.2408 -5.2052 -5.2052 -5.0239 -5.0239 -4.7470 -4.7470 -4.6812 -4.6812 -4.3423 -4.3423 2.3843 2.3843 3.8425 3.8425 5.0747 5.0747 6.2475 6.2475 6.4537 6.4537 6.6488 6.6488 14.7331 14.7331 16.9978 16.9978 18.1326 18.1326 19.9635 19.9635 k = 0.6842-0.1336-0.4603 ( 4212 PWs) bands (ev): -35.3615 -35.3615 -9.8265 -9.8265 -9.2417 -9.2417 -5.2083 -5.2083 -5.0271 -5.0271 -4.7525 -4.7525 -4.6850 -4.6850 -4.3582 -4.3582 2.4344 2.4344 3.9080 3.9080 5.1147 5.1147 6.2972 6.2972 6.4388 6.4388 6.6648 6.6648 14.7084 14.7084 16.9729 16.9729 18.1529 18.1529 19.9239 19.9239 k = 0.6796-0.1265-0.4465 ( 4212 PWs) bands (ev): -35.3621 -35.3621 -9.8646 -9.8646 -9.2424 -9.2424 -5.2113 -5.2113 -5.0305 -5.0305 -4.7581 -4.7581 -4.6886 -4.6886 -4.3743 -4.3743 2.4854 2.4854 3.9763 3.9763 5.1535 5.1535 6.3450 6.3450 6.4243 6.4243 6.6827 6.6827 14.6813 14.6813 16.9458 16.9458 18.1769 18.1769 19.8854 19.8854 k = 0.6750-0.1194-0.4327 ( 4210 PWs) bands (ev): -35.3627 -35.3627 -9.9031 -9.9031 -9.2432 -9.2432 -5.2142 -5.2142 -5.0343 -5.0343 -4.7635 -4.7635 -4.6918 -4.6918 -4.3907 -4.3907 2.5372 2.5372 4.0471 4.0471 5.1913 5.1913 6.3863 6.3863 6.4150 6.4150 6.7023 6.7023 14.6514 14.6514 16.9160 16.9160 18.2052 18.2052 19.8488 19.8488 k = 0.6704-0.1124-0.4189 ( 4208 PWs) bands (ev): -35.3634 -35.3634 -9.9417 -9.9417 -9.2439 -9.2439 -5.2170 -5.2170 -5.0385 -5.0385 -4.7689 -4.7689 -4.6949 -4.6949 -4.4072 -4.4072 2.5894 2.5894 4.1202 4.1202 5.2284 5.2284 6.3881 6.3881 6.4438 6.4438 6.7237 6.7237 14.6186 14.6186 16.8834 16.8834 18.2379 18.2379 19.8146 19.8146 k = 0.6657-0.1053-0.4052 ( 4208 PWs) bands (ev): -35.3640 -35.3640 -9.9804 -9.9804 -9.2446 -9.2446 -5.2198 -5.2198 -5.0430 -5.0430 -4.7742 -4.7742 -4.6976 -4.6976 -4.4236 -4.4236 2.6418 2.6418 4.1954 4.1954 5.2649 5.2649 6.3747 6.3747 6.4867 6.4867 6.7465 6.7465 14.5827 14.5827 16.8476 16.8476 18.2754 18.2754 19.7834 19.7834 k = 0.6611-0.0983-0.3914 ( 4200 PWs) bands (ev): -35.3646 -35.3646 -10.0191 -10.0191 -9.2453 -9.2453 -5.2225 -5.2225 -5.0478 -5.0478 -4.7795 -4.7795 -4.7002 -4.7002 -4.4401 -4.4401 2.6942 2.6942 4.2724 4.2724 5.3011 5.3011 6.3604 6.3604 6.5294 6.5294 6.7707 6.7707 14.5437 14.5437 16.8084 16.8084 18.3179 18.3179 19.7555 19.7555 k = 0.6565-0.0912-0.3776 ( 4206 PWs) bands (ev): -35.3653 -35.3653 -10.0577 -10.0577 -9.2460 -9.2460 -5.2252 -5.2252 -5.0531 -5.0531 -4.7846 -4.7846 -4.7024 -4.7024 -4.4563 -4.4563 2.7464 2.7464 4.3511 4.3511 5.3374 5.3374 6.3462 6.3462 6.5709 6.5709 6.7960 6.7960 14.5013 14.5013 16.7656 16.7656 18.3657 18.3657 19.7314 19.7314 k = 0.6519-0.0842-0.3638 ( 4200 PWs) bands (ev): -35.3659 -35.3659 -10.0961 -10.0961 -9.2466 -9.2466 -5.2279 -5.2279 -5.0587 -5.0587 -4.7897 -4.7897 -4.7045 -4.7045 -4.4724 -4.4724 2.7981 2.7981 4.4312 4.4312 5.3739 5.3739 6.3325 6.3325 6.6110 6.6110 6.8223 6.8223 14.4557 14.4557 16.7192 16.7192 18.4189 18.4189 19.7112 19.7112 k = 0.6473-0.0771-0.3500 ( 4200 PWs) bands (ev): -35.3665 -35.3665 -10.1342 -10.1342 -9.2472 -9.2472 -5.2306 -5.2306 -5.0646 -5.0646 -4.7947 -4.7947 -4.7063 -4.7063 -4.4881 -4.4881 2.8490 2.8490 4.5123 4.5123 5.4111 5.4111 6.3193 6.3193 6.6498 6.6498 6.8494 6.8494 14.4067 14.4067 16.6691 16.6691 18.4776 18.4776 19.6952 19.6952 k = 0.6427-0.0700-0.3363 ( 4196 PWs) bands (ev): -35.3672 -35.3672 -10.1720 -10.1720 -9.2478 -9.2478 -5.2332 -5.2332 -5.0708 -5.0708 -4.7996 -4.7996 -4.7079 -4.7079 -4.5035 -4.5035 2.8988 2.8988 4.5942 4.5942 5.4491 5.4491 6.3071 6.3071 6.6871 6.6871 6.8769 6.8769 14.3545 14.3545 16.6153 16.6153 18.5420 18.5420 19.6834 19.6834 k = 0.6381-0.0630-0.3225 ( 4194 PWs) bands (ev): -35.3678 -35.3678 -10.2093 -10.2093 -9.2484 -9.2484 -5.2359 -5.2359 -5.0773 -5.0773 -4.8045 -4.8045 -4.7093 -4.7093 -4.5185 -4.5185 2.9475 2.9475 4.6765 4.6765 5.4883 5.4883 6.2958 6.2958 6.7230 6.7230 6.9048 6.9048 14.2992 14.2992 16.5578 16.5578 18.6120 18.6120 19.6758 19.6758 k = 0.6335-0.0559-0.3087 ( 4196 PWs) bands (ev): -35.3684 -35.3684 -10.2462 -10.2462 -9.2489 -9.2489 -5.2387 -5.2387 -5.0841 -5.0841 -4.8093 -4.8093 -4.7105 -4.7105 -4.5329 -4.5329 2.9946 2.9946 4.7588 4.7588 5.5289 5.5289 6.2858 6.2858 6.7575 6.7575 6.9329 6.9329 14.2407 14.2407 16.4969 16.4969 18.6877 18.6877 19.6724 19.6724 k = 0.6289-0.0489-0.2949 ( 4200 PWs) bands (ev): -35.3691 -35.3691 -10.2824 -10.2824 -9.2495 -9.2495 -5.2414 -5.2414 -5.0910 -5.0910 -4.8141 -4.8141 -4.7116 -4.7116 -4.5468 -4.5468 3.0401 3.0401 4.8407 4.8407 5.5712 5.5712 6.2774 6.2774 6.7905 6.7905 6.9608 6.9608 14.1794 14.1794 16.4327 16.4327 18.7689 18.7689 19.6728 19.6728 k = 0.6243-0.0418-0.2811 ( 4204 PWs) bands (ev): -35.3697 -35.3697 -10.3180 -10.3180 -9.2500 -9.2500 -5.2443 -5.2443 -5.0982 -5.0982 -4.8189 -4.8189 -4.7124 -4.7124 -4.5601 -4.5601 3.0838 3.0838 4.9217 4.9217 5.6153 5.6153 6.2708 6.2708 6.8222 6.8222 6.9886 6.9886 14.1155 14.1155 16.3655 16.3655 18.8556 18.8556 19.6770 19.6770 k = 0.6197-0.0348-0.2674 ( 4204 PWs) bands (ev): -35.3703 -35.3703 -10.3528 -10.3528 -9.2506 -9.2506 -5.2471 -5.2471 -5.1055 -5.1055 -4.8237 -4.8237 -4.7131 -4.7131 -4.5727 -4.5727 3.1254 3.1254 5.0012 5.0012 5.6613 5.6613 6.2665 6.2665 6.8525 6.8525 7.0159 7.0159 14.0490 14.0490 16.2955 16.2955 18.9477 18.9477 19.6846 19.6846 k = 0.6151-0.0277-0.2536 ( 4206 PWs) bands (ev): -35.3709 -35.3709 -10.3868 -10.3868 -9.2511 -9.2511 -5.2501 -5.2501 -5.1129 -5.1129 -4.8285 -4.8285 -4.7137 -4.7137 -4.5847 -4.5847 3.1648 3.1648 5.0787 5.0787 5.7095 5.7095 6.2648 6.2648 6.8815 6.8815 7.0427 7.0427 13.9803 13.9803 16.2232 16.2232 19.0449 19.0449 19.6954 19.6954 k = 0.6105-0.0207-0.2398 ( 4204 PWs) bands (ev): -35.3715 -35.3715 -10.4200 -10.4200 -9.2516 -9.2516 -5.2531 -5.2531 -5.1203 -5.1203 -4.8334 -4.8334 -4.7141 -4.7141 -4.5959 -4.5959 3.2020 3.2020 5.1533 5.1533 5.7597 5.7597 6.2662 6.2662 6.9091 6.9091 7.0687 7.0687 13.9097 13.9097 16.1487 16.1487 19.1469 19.1469 19.7090 19.7090 k = 0.6059-0.0136-0.2260 ( 4202 PWs) bands (ev): -35.3721 -35.3721 -10.4523 -10.4523 -9.2521 -9.2521 -5.2562 -5.2562 -5.1276 -5.1276 -4.8382 -4.8382 -4.7144 -4.7144 -4.6064 -4.6064 3.2369 3.2369 5.2244 5.2244 5.8120 5.8120 6.2713 6.2713 6.9355 6.9355 7.0939 7.0939 13.8374 13.8374 16.0726 16.0726 19.2536 19.2536 19.7252 19.7252 k = 0.6013-0.0065-0.2122 ( 4206 PWs) bands (ev): -35.3726 -35.3726 -10.4836 -10.4836 -9.2526 -9.2526 -5.2594 -5.2594 -5.1349 -5.1349 -4.8431 -4.8431 -4.7146 -4.7146 -4.6161 -4.6161 3.2694 3.2694 5.2911 5.2911 5.8663 5.8663 6.2807 6.2807 6.9607 6.9607 7.1181 7.1181 13.7637 13.7637 15.9951 15.9951 19.3646 19.3646 19.7437 19.7437 k = 0.5967 0.0005-0.1985 ( 4210 PWs) bands (ev): -35.3732 -35.3732 -10.5139 -10.5139 -9.2531 -9.2531 -5.2627 -5.2627 -5.1421 -5.1421 -4.8481 -4.8481 -4.7148 -4.7148 -4.6251 -4.6251 3.2995 3.2995 5.3526 5.3526 5.9226 5.9226 6.2949 6.2949 6.9847 6.9847 7.1412 7.1412 13.6890 13.6890 15.9168 15.9168 19.4793 19.4793 19.7642 19.7642 k = 0.5921 0.0076-0.1847 ( 4212 PWs) bands (ev): -35.3737 -35.3737 -10.5431 -10.5431 -9.2535 -9.2535 -5.2660 -5.2660 -5.1491 -5.1491 -4.8530 -4.8530 -4.7149 -4.7149 -4.6334 -4.6334 3.3274 3.3274 5.4082 5.4082 5.9806 5.9806 6.3144 6.3144 7.0075 7.0075 7.1632 7.1632 13.6136 13.6136 15.8379 15.8379 19.5967 19.5967 19.7872 19.7872 k = 0.5875 0.0146-0.1709 ( 4214 PWs) bands (ev): -35.3743 -35.3743 -10.5711 -10.5711 -9.2540 -9.2540 -5.2695 -5.2695 -5.1559 -5.1559 -4.8579 -4.8579 -4.7149 -4.7149 -4.6408 -4.6408 3.3529 3.3529 5.4573 5.4573 6.0401 6.0401 6.3395 6.3395 7.0293 7.0293 7.1838 7.1838 13.5379 13.5379 15.7590 15.7590 19.7132 19.7132 19.8155 19.8155 k = 0.5829 0.0217-0.1571 ( 4212 PWs) bands (ev): -35.3748 -35.3748 -10.5980 -10.5980 -9.2544 -9.2544 -5.2730 -5.2730 -5.1624 -5.1624 -4.8629 -4.8629 -4.7149 -4.7149 -4.6476 -4.6476 3.3762 3.3762 5.4997 5.4997 6.1010 6.1010 6.3700 6.3700 7.0500 7.0500 7.2031 7.2031 13.4623 13.4623 15.6804 15.6804 19.8026 19.8026 19.8744 19.8744 k = 0.5783 0.0287-0.1433 ( 4206 PWs) bands (ev): -35.3752 -35.3752 -10.6237 -10.6237 -9.2549 -9.2549 -5.2766 -5.2766 -5.1686 -5.1686 -4.8677 -4.8677 -4.7149 -4.7149 -4.6537 -4.6537 3.3974 3.3974 5.5353 5.5353 6.1628 6.1628 6.4058 6.4058 7.0698 7.0698 7.2209 7.2209 13.3871 13.3871 15.6025 15.6025 19.8404 19.8404 19.9879 19.9879 k = 0.5737 0.0358-0.1296 ( 4214 PWs) bands (ev): -35.3757 -35.3757 -10.6481 -10.6481 -9.2553 -9.2553 -5.2802 -5.2802 -5.1745 -5.1745 -4.8726 -4.8726 -4.7149 -4.7149 -4.6591 -4.6591 3.4166 3.4166 5.5644 5.5644 6.2253 6.2253 6.4460 6.4460 7.0887 7.0887 7.2371 7.2371 13.3127 13.3127 15.5259 15.5259 19.8668 19.8668 20.1147 20.1147 k = 0.5691 0.0429-0.1158 ( 4212 PWs) bands (ev): -35.3762 -35.3762 -10.6712 -10.6712 -9.2557 -9.2557 -5.2838 -5.2838 -5.1801 -5.1801 -4.8773 -4.8773 -4.7149 -4.7149 -4.6638 -4.6638 3.4338 3.4338 5.5878 5.5878 6.2881 6.2881 6.4898 6.4898 7.1069 7.1069 7.2517 7.2517 13.2396 13.2396 15.4509 15.4509 19.8909 19.8909 20.2450 20.2450 k = 0.5645 0.0499-0.1020 ( 4214 PWs) bands (ev): -35.3766 -35.3766 -10.6930 -10.6930 -9.2561 -9.2561 -5.2875 -5.2875 -5.1853 -5.1853 -4.8818 -4.8818 -4.7149 -4.7149 -4.6680 -4.6680 3.4492 3.4492 5.6062 5.6062 6.3508 6.3508 6.5359 6.5359 7.1243 7.1243 7.2647 7.2647 13.1682 13.1682 15.3780 15.3780 19.9138 19.9138 20.3766 20.3766 k = 0.5599 0.0570-0.0882 ( 4214 PWs) bands (ev): -35.3770 -35.3770 -10.7134 -10.7134 -9.2564 -9.2564 -5.2911 -5.2911 -5.1901 -5.1901 -4.8862 -4.8862 -4.7150 -4.7150 -4.6716 -4.6716 3.4630 3.4630 5.6202 5.6202 6.4130 6.4130 6.5833 6.5833 7.1410 7.1410 7.2759 7.2759 13.0990 13.0990 15.3076 15.3076 19.9357 19.9357 20.5084 20.5084 k = 0.5552 0.0640-0.0744 ( 4216 PWs) bands (ev): -35.3773 -35.3773 -10.7324 -10.7324 -9.2568 -9.2568 -5.2946 -5.2946 -5.1945 -5.1945 -4.8904 -4.8904 -4.7151 -4.7151 -4.6747 -4.6747 3.4752 3.4752 5.6308 5.6308 6.4743 6.4743 6.6307 6.6307 7.1572 7.1572 7.2853 7.2853 13.0323 13.0323 15.2402 15.2402 19.9566 19.9566 20.6396 20.6396 k = 0.5506 0.0711-0.0607 ( 4212 PWs) bands (ev): -35.3777 -35.3777 -10.7500 -10.7500 -9.2571 -9.2571 -5.2981 -5.2981 -5.1985 -5.1985 -4.8944 -4.8944 -4.7153 -4.7153 -4.6773 -4.6773 3.4860 3.4860 5.6387 5.6387 6.5341 6.5341 6.6771 6.6771 7.1729 7.1729 7.2929 7.2929 12.9687 12.9687 15.1762 15.1762 19.9762 19.9762 20.7691 20.7691 k = 0.5460 0.0781-0.0469 ( 4208 PWs) bands (ev): -35.3780 -35.3780 -10.7662 -10.7662 -9.2574 -9.2574 -5.3014 -5.3014 -5.2021 -5.2021 -4.8981 -4.8981 -4.7155 -4.7155 -4.6795 -4.6795 3.4954 3.4954 5.6443 5.6443 6.5921 6.5921 6.7216 6.7216 7.1882 7.1882 7.2986 7.2986 12.9086 12.9086 15.1159 15.1159 19.9945 19.9945 20.8959 20.8959 k = 0.5414 0.0852-0.0331 ( 4216 PWs) bands (ev): -35.3783 -35.3783 -10.7809 -10.7809 -9.2577 -9.2577 -5.3045 -5.3045 -5.2053 -5.2053 -4.9015 -4.9015 -4.7157 -4.7157 -4.6813 -4.6813 3.5036 3.5036 5.6482 5.6482 6.6476 6.6476 6.7632 6.7632 7.2030 7.2030 7.3025 7.3025 12.8524 12.8524 15.0599 15.0599 20.0114 20.0114 21.0188 21.0188 k = 0.5368 0.0922-0.0193 ( 4216 PWs) bands (ev): -35.3785 -35.3785 -10.7941 -10.7941 -9.2579 -9.2579 -5.3074 -5.3074 -5.2082 -5.2082 -4.9047 -4.9047 -4.7160 -4.7160 -4.6827 -4.6827 3.5106 3.5106 5.6509 5.6509 6.7002 6.7002 6.8015 6.8015 7.2172 7.2172 7.3045 7.3045 12.8007 12.8007 15.0086 15.0086 20.0267 20.0267 21.1366 21.1366 k = 0.5322 0.0993-0.0055 ( 4216 PWs) bands (ev): -35.3788 -35.3788 -10.8058 -10.8058 -9.2581 -9.2581 -5.3101 -5.3101 -5.2107 -5.2107 -4.9075 -4.9075 -4.7163 -4.7163 -4.6839 -4.6839 3.5167 3.5167 5.6526 5.6526 6.7491 6.7491 6.8359 6.8359 7.2309 7.2309 7.3048 7.3048 12.7538 12.7538 14.9622 14.9622 20.0403 20.0403 21.2480 21.2480 k = 0.5276 0.1064 0.0082 ( 4216 PWs) bands (ev): -35.3790 -35.3790 -10.8159 -10.8159 -9.2583 -9.2583 -5.3124 -5.3124 -5.2129 -5.2129 -4.9100 -4.9100 -4.7165 -4.7165 -4.6849 -4.6849 3.5217 3.5217 5.6537 5.6537 6.7938 6.7938 6.8662 6.8662 7.2437 7.2437 7.3035 7.3035 12.7123 12.7123 14.9213 14.9213 20.0523 20.0523 21.3514 21.3514 k = 0.5230 0.1134 0.0220 ( 4212 PWs) bands (ev): -35.3791 -35.3791 -10.8246 -10.8246 -9.2585 -9.2585 -5.3145 -5.3145 -5.2147 -5.2147 -4.9121 -4.9121 -4.7167 -4.7167 -4.6856 -4.6856 3.5259 3.5259 5.6542 5.6542 6.8333 6.8333 6.8924 6.8924 7.2554 7.2554 7.3010 7.3010 12.6764 12.6764 14.8860 14.8860 20.0625 20.0625 21.4449 21.4449 k = 0.5184 0.1205 0.0358 ( 4218 PWs) bands (ev): -35.3793 -35.3793 -10.8316 -10.8316 -9.2586 -9.2586 -5.3162 -5.3162 -5.2162 -5.2162 -4.9138 -4.9138 -4.7170 -4.7170 -4.6862 -4.6862 3.5292 3.5292 5.6545 5.6545 6.8665 6.8665 6.9146 6.9146 7.2655 7.2655 7.2976 7.2976 12.6465 12.6465 14.8568 14.8568 20.0709 20.0709 21.5266 21.5266 k = 0.5138 0.1275 0.0496 ( 4214 PWs) bands (ev): -35.3794 -35.3794 -10.8371 -10.8371 -9.2588 -9.2588 -5.3175 -5.3175 -5.2173 -5.2173 -4.9152 -4.9152 -4.7171 -4.7171 -4.6866 -4.6866 3.5317 3.5317 5.6546 5.6546 6.8925 6.8925 6.9332 6.9332 7.2736 7.2736 7.2940 7.2940 12.6229 12.6229 14.8337 14.8337 20.0775 20.0775 21.5934 21.5934 k = 0.5092 0.1346 0.0634 ( 4204 PWs) bands (ev): -35.3795 -35.3795 -10.8411 -10.8411 -9.2588 -9.2588 -5.3185 -5.3185 -5.2181 -5.2181 -4.9162 -4.9162 -4.7173 -4.7173 -4.6868 -4.6868 3.5335 3.5335 5.6546 5.6546 6.9106 6.9106 6.9478 6.9478 7.2790 7.2790 7.2914 7.2914 12.6058 12.6058 14.8171 14.8171 20.0822 20.0822 21.6421 21.6421 k = 0.5046 0.1416 0.0771 ( 4202 PWs) bands (ev): -35.3795 -35.3795 -10.8434 -10.8434 -9.2589 -9.2589 -5.3191 -5.3191 -5.2186 -5.2186 -4.9168 -4.9168 -4.7173 -4.7173 -4.6870 -4.6870 3.5346 3.5346 5.6546 5.6546 6.9209 6.9209 6.9576 6.9576 7.2812 7.2812 7.2906 7.2906 12.5956 12.5956 14.8071 14.8071 20.0850 20.0850 21.6705 21.6705 k = 0.5000 0.1487 0.0909 ( 4194 PWs) bands (ev): -35.3795 -35.3795 -10.8442 -10.8442 -9.2589 -9.2589 -5.3193 -5.3193 -5.2187 -5.2187 -4.9170 -4.9170 -4.7174 -4.7174 -4.6870 -4.6870 3.5349 3.5349 5.6546 5.6546 6.9242 6.9242 6.9610 6.9610 7.2814 7.2814 7.2908 7.2908 12.5921 12.5921 14.8038 14.8038 20.0859 20.0859 21.6796 21.6796 k = 0.5000 0.1487 0.0909 ( 4194 PWs) bands (ev): -35.3795 -35.3795 -10.8442 -10.8442 -9.2589 -9.2589 -5.3193 -5.3193 -5.2187 -5.2187 -4.9170 -4.9170 -4.7174 -4.7174 -4.6870 -4.6870 3.5349 3.5349 5.6546 5.6546 6.9242 6.9242 6.9610 6.9610 7.2814 7.2814 7.2908 7.2908 12.5921 12.5921 14.8038 14.8038 20.0859 20.0859 21.6796 21.6796 k = 0.4848 0.1442 0.0882 ( 4206 PWs) bands (ev): -35.3795 -35.3795 -10.8445 -10.8445 -9.2584 -9.2584 -5.3193 -5.3193 -5.2188 -5.2188 -4.9170 -4.9170 -4.7174 -4.7174 -4.6870 -4.6870 3.5317 3.5317 5.6589 5.6589 6.9244 6.9244 6.9611 6.9611 7.2813 7.2813 7.2907 7.2907 12.5898 12.5898 14.8029 14.8029 20.0854 20.0854 21.6771 21.6771 k = 0.4697 0.1397 0.0854 ( 4209 PWs) bands (ev): -35.3795 -35.3795 -10.8454 -10.8454 -9.2570 -9.2570 -5.3193 -5.3193 -5.2189 -5.2189 -4.9170 -4.9170 -4.7174 -4.7174 -4.6871 -4.6871 3.5221 3.5221 5.6717 5.6717 6.9248 6.9248 6.9616 6.9616 7.2810 7.2810 7.2903 7.2903 12.5828 12.5828 14.8005 14.8005 20.0839 20.0839 21.6697 21.6697 k = 0.4545 0.1352 0.0827 ( 4215 PWs) bands (ev): -35.3795 -35.3795 -10.8468 -10.8468 -9.2546 -9.2546 -5.3193 -5.3193 -5.2190 -5.2190 -4.9171 -4.9171 -4.7175 -4.7175 -4.6871 -4.6871 3.5065 3.5065 5.6927 5.6927 6.9255 6.9255 6.9623 6.9623 7.2804 7.2804 7.2898 7.2898 12.5712 12.5712 14.7963 14.7963 20.0816 20.0816 21.6576 21.6576 k = 0.4394 0.1307 0.0799 ( 4215 PWs) bands (ev): -35.3795 -35.3795 -10.8487 -10.8487 -9.2513 -9.2513 -5.3193 -5.3193 -5.2192 -5.2192 -4.9172 -4.9172 -4.7176 -4.7176 -4.6871 -4.6871 3.4852 3.4852 5.7215 5.7215 6.9265 6.9265 6.9633 6.9633 7.2797 7.2797 7.2891 7.2891 12.5551 12.5551 14.7906 14.7906 20.0788 20.0788 21.6414 21.6414 k = 0.4242 0.1262 0.0771 ( 4215 PWs) bands (ev): -35.3795 -35.3795 -10.8512 -10.8512 -9.2472 -9.2472 -5.3193 -5.3193 -5.2194 -5.2194 -4.9173 -4.9173 -4.7178 -4.7178 -4.6871 -4.6871 3.4589 3.4589 5.7574 5.7574 6.9278 6.9278 6.9645 6.9645 7.2787 7.2787 7.2881 7.2881 12.5347 12.5347 14.7834 14.7834 20.0759 20.0759 21.6212 21.6212 k = 0.4091 0.1217 0.0744 ( 4215 PWs) bands (ev): -35.3795 -35.3795 -10.8541 -10.8541 -9.2422 -9.2422 -5.3193 -5.3193 -5.2197 -5.2197 -4.9174 -4.9174 -4.7180 -4.7180 -4.6871 -4.6871 3.4281 3.4281 5.7998 5.7998 6.9294 6.9294 6.9660 6.9660 7.2775 7.2775 7.2870 7.2870 12.5101 12.5101 14.7746 14.7746 20.0733 20.0733 21.5975 21.5975 k = 0.3939 0.1172 0.0716 ( 4209 PWs) bands (ev): -35.3795 -35.3795 -10.8575 -10.8575 -9.2364 -9.2364 -5.3193 -5.3193 -5.2201 -5.2201 -4.9176 -4.9176 -4.7182 -4.7182 -4.6871 -4.6871 3.3936 3.3936 5.8479 5.8479 6.9312 6.9312 6.9678 6.9678 7.2761 7.2761 7.2856 7.2856 12.4816 12.4816 14.7644 14.7644 20.0713 20.0713 21.5708 21.5708 k = 0.3788 0.1126 0.0689 ( 4209 PWs) bands (ev): -35.3795 -35.3795 -10.8613 -10.8613 -9.2299 -9.2299 -5.3193 -5.3193 -5.2205 -5.2205 -4.9178 -4.9178 -4.7184 -4.7184 -4.6871 -4.6871 3.3561 3.3561 5.9010 5.9010 6.9333 6.9333 6.9698 6.9698 7.2745 7.2745 7.2841 7.2841 12.4493 12.4493 14.7530 14.7530 20.0703 20.0703 21.5415 21.5415 k = 0.3636 0.1081 0.0661 ( 4215 PWs) bands (ev): -35.3795 -35.3795 -10.8655 -10.8655 -9.2228 -9.2228 -5.3194 -5.3194 -5.2209 -5.2209 -4.9180 -4.9180 -4.7187 -4.7187 -4.6871 -4.6871 3.3162 3.3162 5.9584 5.9584 6.9356 6.9356 6.9721 6.9721 7.2728 7.2728 7.2823 7.2823 12.4136 12.4136 14.7403 14.7403 20.0705 20.0705 21.5101 21.5101 k = 0.3485 0.1036 0.0634 ( 4227 PWs) bands (ev): -35.3796 -35.3796 -10.8700 -10.8700 -9.2151 -9.2151 -5.3194 -5.3194 -5.2214 -5.2214 -4.9182 -4.9182 -4.7189 -4.7189 -4.6872 -4.6872 3.2744 3.2744 6.0193 6.0193 6.9381 6.9381 6.9746 6.9746 7.2708 7.2708 7.2804 7.2804 12.3747 12.3747 14.7265 14.7265 20.0722 20.0722 21.4770 21.4770 k = 0.3333 0.0991 0.0606 ( 4239 PWs) bands (ev): -35.3796 -35.3796 -10.8748 -10.8748 -9.2068 -9.2068 -5.3194 -5.3194 -5.2220 -5.2220 -4.9184 -4.9184 -4.7192 -4.7192 -4.6872 -4.6872 3.2315 3.2315 6.0832 6.0832 6.9409 6.9409 6.9773 6.9773 7.2687 7.2687 7.2783 7.2783 12.3329 12.3329 14.7117 14.7117 20.0754 20.0754 21.4427 21.4427 k = 0.3182 0.0946 0.0579 ( 4233 PWs) bands (ev): -35.3796 -35.3796 -10.8798 -10.8798 -9.1982 -9.1982 -5.3194 -5.3194 -5.2225 -5.2225 -4.9187 -4.9187 -4.7196 -4.7196 -4.6872 -4.6872 3.1878 3.1878 6.1493 6.1493 6.9439 6.9439 6.9802 6.9802 7.2664 7.2664 7.2761 7.2761 12.2886 12.2886 14.6962 14.6962 20.0802 20.0802 21.4075 21.4075 k = 0.3030 0.0901 0.0551 ( 4227 PWs) bands (ev): -35.3796 -35.3796 -10.8850 -10.8850 -9.1892 -9.1892 -5.3194 -5.3194 -5.2231 -5.2231 -4.9189 -4.9189 -4.7199 -4.7199 -4.6872 -4.6872 3.1439 3.1439 6.2171 6.2171 6.9470 6.9470 6.9833 6.9833 7.2640 7.2640 7.2737 7.2737 12.2422 12.2422 14.6799 14.6799 20.0866 20.0866 21.3720 21.3720 k = 0.2879 0.0856 0.0523 ( 4227 PWs) bands (ev): -35.3796 -35.3796 -10.8903 -10.8903 -9.1799 -9.1799 -5.3194 -5.3194 -5.2237 -5.2237 -4.9192 -4.9192 -4.7202 -4.7202 -4.6873 -4.6873 3.1002 3.1002 6.2861 6.2861 6.9503 6.9503 6.9865 6.9865 7.2614 7.2614 7.2712 7.2712 12.1940 12.1940 14.6632 14.6632 20.0944 20.0944 21.3364 21.3364 k = 0.2727 0.0811 0.0496 ( 4226 PWs) bands (ev): -35.3796 -35.3796 -10.8956 -10.8956 -9.1704 -9.1704 -5.3194 -5.3194 -5.2243 -5.2243 -4.9195 -4.9195 -4.7206 -4.7206 -4.6873 -4.6873 3.0569 3.0569 6.3556 6.3556 6.9538 6.9538 6.9899 6.9899 7.2587 7.2587 7.2685 7.2685 12.1443 12.1443 14.6460 14.6460 20.1037 20.1037 21.3010 21.3010 k = 0.2576 0.0766 0.0468 ( 4229 PWs) bands (ev): -35.3796 -35.3796 -10.9010 -10.9010 -9.1609 -9.1609 -5.3195 -5.3195 -5.2250 -5.2250 -4.9198 -4.9198 -4.7209 -4.7209 -4.6873 -4.6873 3.0146 3.0146 6.4253 6.4253 6.9574 6.9574 6.9934 6.9934 7.2559 7.2559 7.2658 7.2658 12.0937 12.0937 14.6287 14.6287 20.1141 20.1141 21.2663 21.2663 k = 0.2424 0.0721 0.0441 ( 4229 PWs) bands (ev): -35.3796 -35.3796 -10.9064 -10.9064 -9.1514 -9.1514 -5.3195 -5.3195 -5.2256 -5.2256 -4.9200 -4.9200 -4.7213 -4.7213 -4.6873 -4.6873 2.9734 2.9734 6.4946 6.4946 6.9611 6.9611 6.9970 6.9970 7.2530 7.2530 7.2629 7.2629 12.0424 12.0424 14.6114 14.6114 20.1256 20.1256 21.2323 21.2323 k = 0.2273 0.0676 0.0413 ( 4232 PWs) bands (ev): -35.3796 -35.3796 -10.9117 -10.9117 -9.1419 -9.1419 -5.3195 -5.3195 -5.2263 -5.2263 -4.9203 -4.9203 -4.7216 -4.7216 -4.6874 -4.6874 2.9336 2.9336 6.5629 6.5629 6.9649 6.9649 7.0006 7.0006 7.2501 7.2501 7.2600 7.2600 11.9909 11.9909 14.5942 14.5942 20.1380 20.1380 21.1994 21.1994 k = 0.2121 0.0631 0.0386 ( 4229 PWs) bands (ev): -35.3796 -35.3796 -10.9169 -10.9169 -9.1326 -9.1326 -5.3195 -5.3195 -5.2269 -5.2269 -4.9206 -4.9206 -4.7220 -4.7220 -4.6874 -4.6874 2.8954 2.8954 6.6299 6.6299 6.9687 6.9687 7.0043 7.0043 7.2471 7.2471 7.2571 7.2571 11.9396 11.9396 14.5772 14.5772 20.1509 20.1509 21.1678 21.1678 k = 0.1970 0.0586 0.0358 ( 4223 PWs) bands (ev): -35.3796 -35.3796 -10.9219 -10.9219 -9.1236 -9.1236 -5.3195 -5.3195 -5.2276 -5.2276 -4.9209 -4.9209 -4.7223 -4.7223 -4.6874 -4.6874 2.8591 2.8591 6.6950 6.6950 6.9727 6.9727 7.0080 7.0080 7.2442 7.2442 7.2541 7.2541 11.8891 11.8891 14.5608 14.5608 20.1643 20.1643 21.1377 21.1377 k = 0.1818 0.0541 0.0331 ( 4217 PWs) bands (ev): -35.3796 -35.3796 -10.9267 -10.9267 -9.1149 -9.1149 -5.3195 -5.3195 -5.2282 -5.2282 -4.9212 -4.9212 -4.7227 -4.7227 -4.6874 -4.6874 2.8248 2.8248 6.7577 6.7577 6.9767 6.9767 7.0116 7.0116 7.2412 7.2412 7.2511 7.2511 11.8396 11.8396 14.5449 14.5449 20.1778 20.1778 21.1092 21.1092 k = 0.1667 0.0496 0.0303 ( 4199 PWs) bands (ev): -35.3796 -35.3796 -10.9312 -10.9312 -9.1066 -9.1066 -5.3195 -5.3195 -5.2288 -5.2288 -4.9214 -4.9214 -4.7230 -4.7230 -4.6874 -4.6874 2.7928 2.7928 6.8174 6.8174 6.9809 6.9809 7.0152 7.0152 7.2383 7.2383 7.2482 7.2482 11.7918 11.7918 14.5297 14.5297 20.1912 20.1912 21.0825 21.0825 k = 0.1515 0.0451 0.0276 ( 4205 PWs) bands (ev): -35.3796 -35.3796 -10.9355 -10.9355 -9.0988 -9.0988 -5.3195 -5.3195 -5.2294 -5.2294 -4.9217 -4.9217 -4.7233 -4.7233 -4.6875 -4.6875 2.7630 2.7630 6.8733 6.8733 6.9855 6.9855 7.0187 7.0187 7.2354 7.2354 7.2453 7.2453 11.7460 11.7460 14.5154 14.5154 20.2043 20.2043 21.0577 21.0577 k = 0.1364 0.0406 0.0248 ( 4190 PWs) bands (ev): -35.3796 -35.3796 -10.9395 -10.9395 -9.0915 -9.0915 -5.3196 -5.3196 -5.2299 -5.2299 -4.9219 -4.9219 -4.7236 -4.7236 -4.6875 -4.6875 2.7358 2.7358 6.9239 6.9239 6.9917 6.9917 7.0221 7.0221 7.2327 7.2327 7.2426 7.2426 11.7028 11.7028 14.5021 14.5021 20.2168 20.2168 21.0350 21.0350 k = 0.1212 0.0360 0.0220 ( 4190 PWs) bands (ev): -35.3796 -35.3796 -10.9431 -10.9431 -9.0848 -9.0848 -5.3196 -5.3196 -5.2304 -5.2304 -4.9221 -4.9221 -4.7238 -4.7238 -4.6875 -4.6875 2.7111 2.7111 6.9636 6.9636 7.0045 7.0045 7.0252 7.0252 7.2301 7.2301 7.2400 7.2400 11.6625 11.6625 14.4899 14.4899 20.2287 20.2287 21.0144 21.0144 k = 0.1061 0.0315 0.0193 ( 4187 PWs) bands (ev): -35.3796 -35.3796 -10.9464 -10.9464 -9.0787 -9.0787 -5.3196 -5.3196 -5.2309 -5.2309 -4.9223 -4.9223 -4.7241 -4.7241 -4.6875 -4.6875 2.6891 2.6891 6.9817 6.9817 7.0281 7.0281 7.0341 7.0341 7.2277 7.2277 7.2375 7.2375 11.6257 11.6257 14.4789 14.4789 20.2396 20.2396 20.9960 20.9961 k = 0.0909 0.0270 0.0165 ( 4184 PWs) bands (ev): -35.3796 -35.3796 -10.9493 -10.9493 -9.0734 -9.0734 -5.3196 -5.3196 -5.2313 -5.2313 -4.9225 -4.9225 -4.7243 -4.7243 -4.6875 -4.6875 2.6699 2.6699 6.9884 6.9884 7.0308 7.0308 7.0698 7.0698 7.2256 7.2256 7.2353 7.2353 11.5928 11.5928 14.4692 14.4692 20.2494 20.2494 20.9800 20.9800 k = 0.0758 0.0225 0.0138 ( 4184 PWs) bands (ev): -35.3796 -35.3796 -10.9517 -10.9517 -9.0687 -9.0687 -5.3196 -5.3196 -5.2316 -5.2316 -4.9227 -4.9227 -4.7244 -4.7244 -4.6876 -4.6876 2.6535 2.6535 6.9922 6.9922 7.0331 7.0331 7.1028 7.1028 7.2237 7.2237 7.2333 7.2333 11.5641 11.5641 14.4608 14.4608 20.2580 20.2580 20.9663 20.9663 k = 0.0606 0.0180 0.0110 ( 4181 PWs) bands (ev): -35.3796 -35.3796 -10.9538 -10.9538 -9.0649 -9.0649 -5.3196 -5.3196 -5.2319 -5.2319 -4.9228 -4.9228 -4.7246 -4.7246 -4.6876 -4.6876 2.6400 2.6400 6.9948 6.9948 7.0351 7.0351 7.1308 7.1308 7.2221 7.2221 7.2317 7.2317 11.5401 11.5401 14.4539 14.4539 20.2652 20.2652 20.9550 20.9550 k = 0.0455 0.0135 0.0083 ( 4181 PWs) bands (ev): -35.3796 -35.3796 -10.9554 -10.9554 -9.0619 -9.0619 -5.3196 -5.3196 -5.2322 -5.2322 -4.9229 -4.9229 -4.7247 -4.7247 -4.6876 -4.6876 2.6294 2.6294 6.9968 6.9968 7.0366 7.0366 7.1531 7.1531 7.2208 7.2208 7.2303 7.2303 11.5211 11.5211 14.4484 14.4484 20.2709 20.2709 20.9462 20.9462 k = 0.0303 0.0090 0.0055 ( 4187 PWs) bands (ev): -35.3796 -35.3796 -10.9566 -10.9566 -9.0598 -9.0598 -5.3196 -5.3196 -5.2323 -5.2323 -4.9230 -4.9230 -4.7248 -4.7248 -4.6876 -4.6876 2.6218 2.6218 6.9981 6.9981 7.0378 7.0378 7.1693 7.1693 7.2198 7.2198 7.2294 7.2294 11.5073 11.5073 14.4445 14.4445 20.2751 20.2751 20.9399 20.9399 k = 0.0152 0.0045 0.0028 ( 4193 PWs) bands (ev): -35.3796 -35.3796 -10.9573 -10.9573 -9.0585 -9.0585 -5.3196 -5.3196 -5.2324 -5.2324 -4.9230 -4.9230 -4.7248 -4.7248 -4.6876 -4.6876 2.6173 2.6173 6.9989 6.9989 7.0385 7.0385 7.1791 7.1791 7.2192 7.2192 7.2288 7.2288 11.4990 11.4990 14.4421 14.4421 20.2776 20.2776 20.9361 20.9361 k = 0.0000 0.0000 0.0000 ( 4193 PWs) bands (ev): -35.3796 -35.3796 -10.9575 -10.9575 -9.0580 -9.0580 -5.3196 -5.3196 -5.2325 -5.2325 -4.9230 -4.9230 -4.7249 -4.7249 -4.6876 -4.6876 2.6158 2.6158 6.9992 6.9992 7.0387 7.0387 7.1824 7.1824 7.2190 7.2190 7.2286 7.2286 11.4962 11.4962 14.4413 14.4413 20.2784 20.2784 20.9348 20.9348 k = 0.0000 0.0000 0.0000 ( 4193 PWs) bands (ev): -35.3796 -35.3796 -10.9575 -10.9575 -9.0580 -9.0580 -5.3196 -5.3196 -5.2325 -5.2325 -4.9230 -4.9230 -4.7249 -4.7249 -4.6876 -4.6876 2.6158 2.6158 6.9992 6.9992 7.0387 7.0387 7.1824 7.1824 7.2190 7.2190 7.2286 7.2286 11.4962 11.4962 14.4413 14.4413 20.2784 20.2784 20.9348 20.9348 k = 0.0046-0.0070-0.0137 ( 4193 PWs) bands (ev): -35.3796 -35.3796 -10.9567 -10.9567 -9.0581 -9.0581 -5.3194 -5.3194 -5.2323 -5.2323 -4.9228 -4.9228 -4.7248 -4.7248 -4.6875 -4.6875 2.6161 2.6161 6.9954 6.9954 7.0348 7.0348 7.1781 7.1781 7.2206 7.2206 7.2297 7.2297 11.5003 11.5003 14.4454 14.4454 20.2762 20.2762 20.9340 20.9340 k = 0.0092-0.0140-0.0274 ( 4187 PWs) bands (ev): -35.3795 -35.3795 -10.9544 -10.9544 -9.0582 -9.0582 -5.3187 -5.3187 -5.2318 -5.2318 -4.9221 -4.9221 -4.7248 -4.7248 -4.6873 -4.6873 2.6169 2.6169 6.9833 6.9833 7.0238 7.0238 7.1678 7.1678 7.2236 7.2236 7.2326 7.2326 11.5126 11.5126 14.4577 14.4577 20.2697 20.2697 20.9312 20.9312 k = 0.0137-0.0211-0.0411 ( 4193 PWs) bands (ev): -35.3795 -35.3795 -10.9506 -10.9506 -9.0584 -9.0584 -5.3177 -5.3177 -5.2309 -5.2309 -4.9210 -4.9210 -4.7246 -4.7246 -4.6870 -4.6870 2.6182 2.6182 6.9613 6.9613 7.0074 7.0074 7.1551 7.1551 7.2261 7.2261 7.2357 7.2357 11.5329 11.5329 14.4780 14.4780 20.2586 20.2586 20.9254 20.9254 k = 0.0183-0.0281-0.0548 ( 4193 PWs) bands (ev): -35.3794 -35.3794 -10.9452 -10.9452 -9.0586 -9.0586 -5.3162 -5.3162 -5.2296 -5.2296 -4.9194 -4.9194 -4.7244 -4.7244 -4.6865 -4.6865 2.6201 2.6201 6.9293 6.9293 6.9854 6.9854 7.1425 7.1425 7.2274 7.2274 7.2379 7.2379 11.5610 11.5610 14.5062 14.5062 20.2427 20.2427 20.9153 20.9153 k = 0.0229-0.0351-0.0685 ( 4191 PWs) bands (ev): -35.3792 -35.3792 -10.9384 -10.9384 -9.0590 -9.0590 -5.3143 -5.3143 -5.2280 -5.2280 -4.9174 -4.9174 -4.7242 -4.7242 -4.6858 -4.6858 2.6226 2.6226 6.8883 6.8883 6.9564 6.9564 7.1316 7.1316 7.2271 7.2271 7.2389 7.2389 11.5964 11.5964 14.5421 14.5421 20.2218 20.2218 20.8995 20.8995 k = 0.0275-0.0421-0.0822 ( 4193 PWs) bands (ev): -35.3790 -35.3790 -10.9300 -10.9300 -9.0594 -9.0594 -5.3121 -5.3121 -5.2260 -5.2260 -4.9150 -4.9150 -4.7240 -4.7240 -4.6849 -4.6849 2.6255 2.6255 6.8398 6.8398 6.9194 6.9194 7.1230 7.1230 7.2250 7.2250 7.2387 7.2387 11.6389 11.6389 14.5853 14.5853 20.1956 20.1956 20.8778 20.8778 k = 0.0321-0.0491-0.0959 ( 4197 PWs) bands (ev): -35.3789 -35.3789 -10.9201 -10.9201 -9.0599 -9.0599 -5.3096 -5.3096 -5.2236 -5.2236 -4.9122 -4.9122 -4.7237 -4.7237 -4.6837 -4.6837 2.6289 2.6289 6.7846 6.7846 6.8746 6.8746 7.1162 7.1162 7.2210 7.2210 7.2376 7.2376 11.6878 11.6878 14.6357 14.6357 20.1636 20.1636 20.8505 20.8505 k = 0.0366-0.0561-0.1096 ( 4199 PWs) bands (ev): -35.3786 -35.3786 -10.9087 -10.9087 -9.0604 -9.0604 -5.3068 -5.3068 -5.2207 -5.2207 -4.9090 -4.9090 -4.7234 -4.7234 -4.6823 -4.6823 2.6328 2.6328 6.7236 6.7236 6.8225 6.8225 7.1105 7.1105 7.2149 7.2149 7.2360 7.2360 11.7427 11.7427 14.6927 14.6927 20.1255 20.1255 20.8189 20.8189 k = 0.0412-0.0632-0.1234 ( 4199 PWs) bands (ev): -35.3784 -35.3784 -10.8959 -10.8959 -9.0611 -9.0611 -5.3038 -5.3038 -5.2175 -5.2175 -4.9055 -4.9055 -4.7231 -4.7231 -4.6805 -4.6805 2.6372 2.6372 6.6574 6.6574 6.7638 6.7638 7.1050 7.1050 7.2067 7.2067 7.2344 7.2344 11.8031 11.8031 14.7560 14.7560 20.0810 20.0810 20.7843 20.7843 k = 0.0458-0.0702-0.1371 ( 4199 PWs) bands (ev): -35.3781 -35.3781 -10.8816 -10.8816 -9.0618 -9.0618 -5.3005 -5.3005 -5.2138 -5.2138 -4.9016 -4.9016 -4.7229 -4.7229 -4.6784 -4.6784 2.6420 2.6420 6.5865 6.5865 6.6991 6.6991 7.0989 7.0989 7.1965 7.1965 7.2331 7.2331 11.8684 11.8684 14.8252 14.8252 20.0299 20.0299 20.7481 20.7481 k = 0.0504-0.0772-0.1508 ( 4197 PWs) bands (ev): -35.3778 -35.3778 -10.8658 -10.8658 -9.0626 -9.0626 -5.2972 -5.2972 -5.2096 -5.2096 -4.8975 -4.8975 -4.7226 -4.7226 -4.6758 -4.6758 2.6472 2.6472 6.5115 6.5115 6.6292 6.6292 7.0917 7.0917 7.1844 7.1844 7.2326 7.2326 11.9381 11.9381 14.8999 14.8999 19.9722 19.9722 20.7112 20.7112 k = 0.0550-0.0842-0.1645 ( 4195 PWs) bands (ev): -35.3774 -35.3774 -10.8487 -10.8487 -9.0634 -9.0634 -5.2937 -5.2937 -5.2050 -5.2050 -4.8930 -4.8930 -4.7224 -4.7224 -4.6727 -4.6727 2.6528 2.6528 6.4329 6.4329 6.5545 6.5545 7.0827 7.0827 7.1705 7.1705 7.2332 7.2332 12.0118 12.0118 14.9798 14.9798 19.9080 19.9080 20.6745 20.6745 k = 0.0595-0.0912-0.1782 ( 4189 PWs) bands (ev): -35.3771 -35.3771 -10.8302 -10.8302 -9.0644 -9.0644 -5.2902 -5.2902 -5.1999 -5.1999 -4.8884 -4.8884 -4.7222 -4.7222 -4.6690 -4.6690 2.6587 2.6587 6.3512 6.3512 6.4755 6.4755 7.0716 7.0716 7.1548 7.1548 7.2351 7.2351 12.0889 12.0889 15.0642 15.0642 19.8378 19.8378 20.6383 20.6383 k = 0.0641-0.0983-0.1919 ( 4189 PWs) bands (ev): -35.3767 -35.3767 -10.8102 -10.8102 -9.0654 -9.0654 -5.2867 -5.2867 -5.1944 -5.1944 -4.8835 -4.8835 -4.7220 -4.7220 -4.6648 -4.6648 2.6649 2.6649 6.2668 6.2668 6.3928 6.3928 7.0584 7.0584 7.1373 7.1373 7.2384 7.2384 12.1689 12.1689 15.1530 15.1530 19.7621 19.7621 20.6030 20.6030 k = 0.0687-0.1053-0.2056 ( 4193 PWs) bands (ev): -35.3763 -35.3763 -10.7890 -10.7890 -9.0665 -9.0665 -5.2831 -5.2831 -5.1884 -5.1884 -4.8785 -4.8785 -4.7219 -4.7219 -4.6598 -4.6598 2.6713 2.6713 6.1802 6.1802 6.3068 6.3068 7.0429 7.0429 7.1183 7.1183 7.2429 7.2429 12.2516 12.2516 15.2456 15.2456 19.6816 19.6816 20.5686 20.5686 k = 0.0733-0.1123-0.2193 ( 4191 PWs) bands (ev): -35.3758 -35.3758 -10.7664 -10.7664 -9.0677 -9.0677 -5.2797 -5.2797 -5.1820 -5.1820 -4.8734 -4.8734 -4.7217 -4.7217 -4.6542 -4.6542 2.6780 2.6780 6.0917 6.0917 6.2179 6.2179 7.0251 7.0251 7.0977 7.0977 7.2485 7.2485 12.3364 12.3364 15.3418 15.3418 19.5968 19.5968 20.5351 20.5351 k = 0.0779-0.1193-0.2330 ( 4197 PWs) bands (ev): -35.3754 -35.3754 -10.7426 -10.7426 -9.0689 -9.0689 -5.2763 -5.2763 -5.1753 -5.1753 -4.8682 -4.8682 -4.7216 -4.7216 -4.6477 -4.6477 2.6847 2.6847 6.0019 6.0019 6.1266 6.1266 7.0052 7.0052 7.0756 7.0756 7.2552 7.2552 12.4231 12.4231 15.4411 15.4411 19.5086 19.5086 20.5023 20.5023 k = 0.0824-0.1263-0.2467 ( 4193 PWs) bands (ev): -35.3749 -35.3749 -10.7175 -10.7175 -9.0702 -9.0702 -5.2730 -5.2730 -5.1681 -5.1681 -4.8631 -4.8631 -4.7215 -4.7215 -4.6405 -4.6405 2.6916 2.6916 5.9110 5.9110 6.0332 6.0332 6.9833 6.9833 7.0521 7.0521 7.2627 7.2627 12.5113 12.5113 15.5432 15.5432 19.4177 19.4177 20.4701 20.4701 k = 0.0870-0.1333-0.2604 ( 4195 PWs) bands (ev): -35.3744 -35.3744 -10.6912 -10.6912 -9.0716 -9.0716 -5.2697 -5.2697 -5.1607 -5.1607 -4.8579 -4.8579 -4.7214 -4.7214 -4.6324 -4.6324 2.6984 2.6984 5.8195 5.8195 5.9381 5.9381 6.9593 6.9593 7.0272 7.0272 7.2708 7.2708 12.6007 12.6007 15.6479 15.6479 19.3246 19.3246 20.4385 20.4385 k = 0.0916-0.1404-0.2741 ( 4203 PWs) bands (ev): -35.3739 -35.3739 -10.6637 -10.6637 -9.0731 -9.0731 -5.2666 -5.2666 -5.1531 -5.1531 -4.8528 -4.8528 -4.7212 -4.7212 -4.6234 -4.6234 2.7051 2.7051 5.7276 5.7276 5.8417 5.8417 6.9333 6.9333 7.0011 7.0011 7.2795 7.2795 12.6911 12.6911 15.7548 15.7548 19.2300 19.2300 20.4072 20.4072 k = 0.0962-0.1474-0.2878 ( 4205 PWs) bands (ev): -35.3733 -35.3733 -10.6351 -10.6351 -9.0747 -9.0747 -5.2635 -5.2635 -5.1452 -5.1452 -4.8477 -4.8477 -4.7210 -4.7210 -4.6135 -4.6135 2.7117 2.7117 5.6357 5.6357 5.7444 5.7444 6.9055 6.9055 6.9737 6.9737 7.2885 7.2885 12.7821 12.7821 15.8636 15.8636 19.1344 19.1344 20.3762 20.3762 k = 0.1007-0.1544-0.3015 ( 4215 PWs) bands (ev): -35.3728 -35.3728 -10.6054 -10.6054 -9.0763 -9.0763 -5.2605 -5.2605 -5.1372 -5.1372 -4.8427 -4.8427 -4.7208 -4.7208 -4.6028 -4.6028 2.7180 2.7180 5.5441 5.5441 5.6463 5.6463 6.8758 6.8758 6.9452 6.9452 7.2979 7.2979 12.8737 12.8737 15.9741 15.9741 19.0382 19.0382 20.3455 20.3455 k = 0.1053-0.1614-0.3152 ( 4215 PWs) bands (ev): -35.3722 -35.3722 -10.5747 -10.5747 -9.0780 -9.0780 -5.2576 -5.2576 -5.1292 -5.1292 -4.8379 -4.8379 -4.7204 -4.7204 -4.5911 -4.5911 2.7239 2.7239 5.4531 5.4531 5.5480 5.5480 6.8443 6.8443 6.9156 6.9156 7.3074 7.3074 12.9656 12.9656 16.0861 16.0861 18.9419 18.9419 20.3149 20.3149 k = 0.1099-0.1684-0.3289 ( 4215 PWs) bands (ev): -35.3716 -35.3716 -10.5430 -10.5430 -9.0798 -9.0798 -5.2548 -5.2548 -5.1211 -5.1211 -4.8331 -4.8331 -4.7200 -4.7200 -4.5786 -4.5786 2.7294 2.7294 5.3630 5.3630 5.4496 5.4496 6.8110 6.8110 6.8850 6.8850 7.3170 7.3170 13.0576 13.0576 16.1993 16.1993 18.8460 18.8460 20.2844 20.2844 k = 0.1145-0.1755-0.3427 ( 4207 PWs) bands (ev): -35.3710 -35.3710 -10.5103 -10.5103 -9.0816 -9.0816 -5.2520 -5.2520 -5.1130 -5.1130 -4.8284 -4.8284 -4.7194 -4.7194 -4.5652 -4.5652 2.7342 2.7342 5.2741 5.2741 5.3515 5.3515 6.7760 6.7760 6.8536 6.8536 7.3265 7.3265 13.1496 13.1496 16.3136 16.3136 18.7506 18.7506 20.2541 20.2541 k = 0.1191-0.1825-0.3564 ( 4205 PWs) bands (ev): -35.3704 -35.3704 -10.4768 -10.4768 -9.0835 -9.0835 -5.2493 -5.2493 -5.1051 -5.1051 -4.8238 -4.8238 -4.7187 -4.7187 -4.5510 -4.5510 2.7383 2.7383 5.1865 5.1865 5.2540 5.2540 6.7391 6.7391 6.8213 6.8213 7.3359 7.3359 13.2415 13.2415 16.4288 16.4288 18.6560 18.6560 20.2240 20.2240 k = 0.1236-0.1895-0.3701 ( 4209 PWs) bands (ev): -35.3698 -35.3698 -10.4424 -10.4424 -9.0855 -9.0855 -5.2467 -5.2467 -5.0973 -5.0973 -4.8192 -4.8192 -4.7178 -4.7178 -4.5361 -4.5361 2.7416 2.7416 5.1006 5.1006 5.1573 5.1573 6.7006 6.7006 6.7884 6.7884 7.3451 7.3451 13.3330 13.3330 16.5447 16.5447 18.5627 18.5627 20.1940 20.1940 k = 0.1282-0.1965-0.3838 ( 4203 PWs) bands (ev): -35.3692 -35.3692 -10.4072 -10.4072 -9.0875 -9.0875 -5.2441 -5.2441 -5.0897 -5.0897 -4.8147 -4.8147 -4.7168 -4.7168 -4.5205 -4.5205 2.7438 2.7438 5.0165 5.0165 5.0618 5.0618 6.6603 6.6603 6.7549 6.7549 7.3540 7.3540 13.4242 13.4242 16.6611 16.6611 18.4706 18.4706 20.1643 20.1643 k = 0.1328-0.2035-0.3975 ( 4209 PWs) bands (ev): -35.3686 -35.3686 -10.3713 -10.3713 -9.0896 -9.0896 -5.2415 -5.2415 -5.0823 -5.0823 -4.8103 -4.8103 -4.7155 -4.7155 -4.5043 -4.5043 2.7448 2.7448 4.9342 4.9342 4.9679 4.9679 6.6183 6.6183 6.7209 6.7209 7.3625 7.3625 13.5149 13.5149 16.7779 16.7779 18.3802 18.3802 20.1348 20.1348 k = 0.1374-0.2106-0.4112 ( 4211 PWs) bands (ev): -35.3680 -35.3680 -10.3348 -10.3348 -9.0917 -9.0917 -5.2390 -5.2390 -5.0752 -5.0752 -4.8058 -4.8058 -4.7141 -4.7141 -4.4875 -4.4875 2.7445 2.7445 4.8533 4.8533 4.8766 4.8766 6.5746 6.5746 6.6866 6.6866 7.3705 7.3705 13.6050 13.6050 16.8948 16.8948 18.2914 18.2914 20.1056 20.1056 k = 0.1420-0.2176-0.4249 ( 4213 PWs) bands (ev): -35.3673 -35.3673 -10.2977 -10.2977 -9.0939 -9.0939 -5.2364 -5.2364 -5.0685 -5.0685 -4.8013 -4.8013 -4.7125 -4.7125 -4.4702 -4.4702 2.7426 2.7426 4.7716 4.7716 4.7904 4.7904 6.5293 6.5293 6.6521 6.6521 7.3780 7.3780 13.6944 13.6944 17.0119 17.0119 18.2046 18.2046 20.0769 20.0769 k = 0.1465-0.2246-0.4386 ( 4211 PWs) bands (ev): -35.3667 -35.3667 -10.2600 -10.2600 -9.0962 -9.0962 -5.2339 -5.2339 -5.0620 -5.0620 -4.7969 -4.7969 -4.7106 -4.7106 -4.4525 -4.4525 2.7391 2.7391 4.6866 4.6866 4.7124 4.7124 6.4823 6.4823 6.6175 6.6175 7.3849 7.3849 13.7831 13.7831 17.1288 17.1288 18.1198 18.1198 20.0486 20.0486 k = 0.1511-0.2316-0.4523 ( 4209 PWs) bands (ev): -35.3661 -35.3661 -10.2219 -10.2219 -9.0985 -9.0985 -5.2314 -5.2314 -5.0559 -5.0559 -4.7923 -4.7923 -4.7085 -4.7085 -4.4346 -4.4346 2.7338 2.7338 4.6007 4.6007 4.6404 4.6404 6.4337 6.4337 6.5830 6.5830 7.3910 7.3910 13.8711 13.8711 17.2454 17.2454 18.0373 18.0373 20.0209 20.0209 k = 0.1557-0.2386-0.4660 ( 4213 PWs) bands (ev): -35.3654 -35.3654 -10.1835 -10.1835 -9.1008 -9.1008 -5.2289 -5.2289 -5.0502 -5.0502 -4.7877 -4.7877 -4.7061 -4.7061 -4.4164 -4.4164 2.7265 2.7265 4.5163 4.5163 4.5726 4.5726 6.3835 6.3835 6.5488 6.5488 7.3964 7.3964 13.9581 13.9581 17.3614 17.3614 17.9573 17.9573 19.9938 19.9938 k = 0.1603-0.2456-0.4797 ( 4215 PWs) bands (ev): -35.3648 -35.3648 -10.1447 -10.1447 -9.1032 -9.1032 -5.2263 -5.2263 -5.0449 -5.0449 -4.7831 -4.7831 -4.7035 -4.7035 -4.3981 -4.3981 2.7172 2.7172 4.4339 4.4339 4.5084 4.5084 6.3318 6.3318 6.5150 6.5150 7.4009 7.4009 14.0443 14.0443 17.4762 17.4762 17.8803 17.8803 19.9674 19.9674 k = 0.1649-0.2527-0.4934 ( 4219 PWs) bands (ev): -35.3642 -35.3642 -10.1057 -10.1057 -9.1056 -9.1056 -5.2237 -5.2237 -5.0400 -5.0400 -4.7784 -4.7784 -4.7007 -4.7007 -4.3798 -4.3798 2.7057 2.7057 4.3541 4.3541 4.4480 4.4480 6.2785 6.2785 6.4818 6.4818 7.4044 7.4044 14.1295 14.1295 17.5878 17.5878 17.8083 17.8083 19.9418 19.9418 k = 0.1694-0.2597-0.5071 ( 4219 PWs) bands (ev): -35.3635 -35.3635 -10.0666 -10.0666 -9.1080 -9.1080 -5.2211 -5.2211 -5.0355 -5.0355 -4.7737 -4.7737 -4.6976 -4.6976 -4.3616 -4.3616 2.6919 2.6919 4.2771 4.2771 4.3911 4.3911 6.2237 6.2237 6.4494 6.4494 7.4070 7.4070 14.2136 14.2136 17.6751 17.6751 17.7624 17.7624 19.9170 19.9170 k = 0.1740-0.2667-0.5208 ( 4217 PWs) bands (ev): -35.3629 -35.3629 -10.0275 -10.0275 -9.1105 -9.1105 -5.2184 -5.2184 -5.0314 -5.0314 -4.7688 -4.7688 -4.6942 -4.6942 -4.3435 -4.3435 2.6759 2.6759 4.2030 4.2030 4.3378 4.3378 6.1676 6.1676 6.4180 6.4180 7.4086 7.4086 14.2966 14.2966 17.6448 17.6448 17.8357 17.8357 19.8932 19.8932 k = 0.1786-0.2737-0.5345 ( 4209 PWs) bands (ev): -35.3623 -35.3623 -9.9883 -9.9883 -9.1129 -9.1129 -5.2156 -5.2156 -5.0276 -5.0276 -4.7640 -4.7640 -4.6905 -4.6905 -4.3257 -4.3257 2.6577 2.6577 4.1321 4.1321 4.2881 4.2881 6.1100 6.1100 6.3876 6.3876 7.4090 7.4090 14.3784 14.3784 17.5815 17.5815 17.9433 17.9433 19.8704 19.8704 k = 0.1832-0.2807-0.5482 ( 4209 PWs) bands (ev): -35.3617 -35.3617 -9.9493 -9.9493 -9.1154 -9.1154 -5.2127 -5.2127 -5.0242 -5.0242 -4.7590 -4.7590 -4.6866 -4.6866 -4.3083 -4.3083 2.6373 2.6373 4.0645 4.0645 4.2417 4.2417 6.0510 6.0510 6.3587 6.3587 7.4083 7.4083 14.4590 14.4590 17.5177 17.5177 18.0529 18.0529 19.8487 19.8487 k = 0.1878-0.2878-0.5620 ( 4213 PWs) bands (ev): -35.3611 -35.3611 -9.9104 -9.9104 -9.1180 -9.1180 -5.2098 -5.2098 -5.0211 -5.0211 -4.7541 -4.7541 -4.6824 -4.6824 -4.2914 -4.2914 2.6148 2.6148 4.0004 4.0004 4.1986 4.1986 5.9908 5.9908 6.3312 6.3312 7.4064 7.4064 14.5381 14.5381 17.4559 17.4559 18.1616 18.1616 19.8281 19.8281 k = 0.1923-0.2948-0.5757 ( 4215 PWs) bands (ev): -35.3605 -35.3605 -9.8719 -9.8719 -9.1205 -9.1205 -5.2067 -5.2067 -5.0184 -5.0184 -4.7491 -4.7491 -4.6779 -4.6779 -4.2750 -4.2750 2.5905 2.5905 3.9400 3.9400 4.1587 4.1587 5.9294 5.9294 6.3054 6.3054 7.4032 7.4032 14.6158 14.6158 17.3969 17.3969 18.2686 18.2686 19.8087 19.8087 k = 0.1969-0.3018-0.5894 ( 4215 PWs) bands (ev): -35.3599 -35.3599 -9.8337 -9.8337 -9.1230 -9.1230 -5.2035 -5.2035 -5.0160 -5.0160 -4.7441 -4.7441 -4.6732 -4.6732 -4.2593 -4.2593 2.5645 2.5645 3.8832 3.8832 4.1215 4.1215 5.8667 5.8667 6.2815 6.2815 7.3987 7.3987 14.6919 14.6919 17.3408 17.3408 18.3734 18.3734 19.7906 19.7906 k = 0.2015-0.3088-0.6031 ( 4215 PWs) bands (ev): -35.3594 -35.3594 -9.7960 -9.7960 -9.1255 -9.1255 -5.2002 -5.2002 -5.0139 -5.0139 -4.7391 -4.7391 -4.6681 -4.6681 -4.2444 -4.2444 2.5370 2.5370 3.8304 3.8304 4.0869 4.0869 5.8030 5.8030 6.2597 6.2597 7.3929 7.3929 14.7662 14.7662 17.2880 17.2880 18.4754 18.4754 19.7738 19.7738 k = 0.2061-0.3158-0.6168 ( 4217 PWs) bands (ev): -35.3588 -35.3588 -9.7588 -9.7588 -9.1281 -9.1281 -5.1968 -5.1968 -5.0120 -5.0120 -4.7342 -4.7342 -4.6628 -4.6628 -4.2303 -4.2303 2.5083 2.5083 3.7816 3.7816 4.0547 4.0547 5.7383 5.7383 6.2401 6.2401 7.3858 7.3858 14.8385 14.8385 17.2387 17.2387 18.5741 18.5741 19.7584 19.7584 k = 0.2107-0.3228-0.6305 ( 4223 PWs) bands (ev): -35.3583 -35.3583 -9.7222 -9.7222 -9.1306 -9.1306 -5.1932 -5.1932 -5.0104 -5.0104 -4.7293 -4.7293 -4.6572 -4.6572 -4.2172 -4.2172 2.4787 2.4787 3.7370 3.7370 4.0244 4.0244 5.6726 5.6726 6.2228 6.2228 7.3772 7.3772 14.9086 14.9086 17.1931 17.1931 18.6691 18.6691 19.7444 19.7444 k = 0.2152-0.3299-0.6442 ( 4225 PWs) bands (ev): -35.3578 -35.3578 -9.6864 -9.6864 -9.1331 -9.1331 -5.1894 -5.1894 -5.0090 -5.0090 -4.7244 -4.7244 -4.6512 -4.6512 -4.2051 -4.2051 2.4484 2.4484 3.6965 3.6965 3.9959 3.9959 5.6060 5.6060 6.2080 6.2080 7.3673 7.3673 14.9764 14.9764 17.1515 17.1515 18.7596 18.7596 19.7319 19.7319 k = 0.2198-0.3369-0.6579 ( 4227 PWs) bands (ev): -35.3573 -35.3573 -9.6513 -9.6513 -9.1356 -9.1356 -5.1855 -5.1855 -5.0078 -5.0078 -4.7197 -4.7197 -4.6449 -4.6449 -4.1941 -4.1941 2.4177 2.4177 3.6604 3.6604 3.9690 3.9690 5.5386 5.5386 6.1958 6.1958 7.3560 7.3560 15.0414 15.0414 17.1143 17.1143 18.8451 18.8451 19.7209 19.7209 k = 0.2244-0.3439-0.6716 ( 4229 PWs) bands (ev): -35.3568 -35.3568 -9.6172 -9.6172 -9.1381 -9.1381 -5.1814 -5.1814 -5.0068 -5.0068 -4.7151 -4.7151 -4.6382 -4.6382 -4.1843 -4.1843 2.3868 2.3868 3.6286 3.6286 3.9433 3.9433 5.4705 5.4705 6.1863 6.1863 7.3432 7.3432 15.1034 15.1034 17.0817 17.0817 18.9249 18.9249 19.7114 19.7114 k = 0.2290-0.3509-0.6853 ( 4239 PWs) bands (ev): -35.3564 -35.3564 -9.5840 -9.5840 -9.1406 -9.1406 -5.1772 -5.1772 -5.0060 -5.0060 -4.7107 -4.7107 -4.6311 -4.6311 -4.1757 -4.1757 2.3561 2.3561 3.6012 3.6012 3.9186 3.9186 5.4018 5.4018 6.1795 6.1795 7.3291 7.3291 15.1620 15.1620 17.0540 17.0540 18.9984 18.9984 19.7034 19.7034 k = 0.2336-0.3579-0.6990 ( 4239 PWs) bands (ev): -35.3559 -35.3559 -9.5518 -9.5518 -9.1430 -9.1430 -5.1728 -5.1728 -5.0053 -5.0053 -4.7065 -4.7065 -4.6236 -4.6236 -4.1683 -4.1683 2.3256 2.3256 3.5784 3.5784 3.8949 3.8949 5.3326 5.3326 6.1755 6.1755 7.3135 7.3135 15.2169 15.2169 17.0318 17.0318 19.0650 19.0650 19.6969 19.6969 k = 0.2381-0.3650-0.7127 ( 4249 PWs) bands (ev): -35.3555 -35.3555 -9.5207 -9.5207 -9.1455 -9.1455 -5.1682 -5.1682 -5.0048 -5.0048 -4.7025 -4.7025 -4.6157 -4.6157 -4.1623 -4.1623 2.2957 2.2957 3.5600 3.5600 3.8720 3.8720 5.2630 5.2630 6.1742 6.1742 7.2966 7.2966 15.2676 15.2676 17.0153 17.0153 19.1245 19.1245 19.6920 19.6920 k = 0.2427-0.3720-0.7264 ( 4247 PWs) bands (ev): -35.3551 -35.3551 -9.4908 -9.4908 -9.1479 -9.1479 -5.1635 -5.1635 -5.0045 -5.0045 -4.6988 -4.6988 -4.6073 -4.6073 -4.1577 -4.1577 2.2665 2.2665 3.5461 3.5461 3.8497 3.8497 5.1931 5.1931 6.1758 6.1758 7.2782 7.2782 15.3139 15.3139 17.0049 17.0049 19.1765 19.1765 19.6887 19.6887 k = 0.2473-0.3790-0.7401 ( 4245 PWs) bands (ev): -35.3547 -35.3547 -9.4622 -9.4622 -9.1502 -9.1502 -5.1586 -5.1586 -5.0043 -5.0043 -4.6952 -4.6952 -4.5984 -4.5984 -4.1544 -4.1544 2.2382 2.2382 3.5368 3.5368 3.8281 3.8281 5.1230 5.1230 6.1801 6.1801 7.2586 7.2586 15.3552 15.3552 17.0011 17.0011 19.2211 19.2211 19.6868 19.6868 k = 0.2519-0.3860-0.7538 ( 4247 PWs) bands (ev): -35.3544 -35.3544 -9.4348 -9.4348 -9.1526 -9.1526 -5.1536 -5.1536 -5.0043 -5.0043 -4.6920 -4.6920 -4.5890 -4.5890 -4.1525 -4.1525 2.2109 2.2109 3.5318 3.5318 3.8072 3.8072 5.0528 5.0528 6.1871 6.1871 7.2376 7.2376 15.3915 15.3915 17.0039 17.0039 19.2582 19.2582 19.6865 19.6865 k = 0.2564-0.3930-0.7675 ( 4247 PWs) bands (ev): -35.3540 -35.3540 -9.4088 -9.4088 -9.1549 -9.1549 -5.1485 -5.1485 -5.0045 -5.0045 -4.6890 -4.6890 -4.5791 -4.5791 -4.1521 -4.1521 2.1846 2.1846 3.5312 3.5312 3.7870 3.7870 4.9828 4.9828 6.1966 6.1966 7.2154 7.2154 15.4224 15.4224 17.0137 17.0137 19.2880 19.2880 19.6874 19.6874 k = 0.2610-0.4000-0.7813 ( 4245 PWs) bands (ev): -35.3537 -35.3537 -9.3841 -9.3841 -9.1571 -9.1571 -5.1432 -5.1432 -5.0048 -5.0048 -4.6863 -4.6863 -4.5687 -4.5687 -4.1530 -4.1530 2.1595 2.1595 3.5349 3.5349 3.7675 3.7675 4.9130 4.9130 6.2087 6.2087 7.1920 7.1920 15.4479 15.4479 17.0304 17.0304 19.3099 19.3099 19.6895 19.6895 k = 0.2656-0.4071-0.7950 ( 4249 PWs) bands (ev): -35.3534 -35.3534 -9.3609 -9.3609 -9.1593 -9.1593 -5.1379 -5.1379 -5.0053 -5.0053 -4.6839 -4.6839 -4.5577 -4.5577 -4.1553 -4.1553 2.1357 2.1357 3.5426 3.5426 3.7489 3.7489 4.8437 4.8437 6.2232 6.2232 7.1674 7.1674 15.4682 15.4682 17.0540 17.0540 19.3228 19.3228 19.6920 19.6920 k = 0.2702-0.4141-0.8087 ( 4251 PWs) bands (ev): -35.3531 -35.3531 -9.3392 -9.3392 -9.1615 -9.1615 -5.1324 -5.1324 -5.0060 -5.0060 -4.6817 -4.6817 -4.5463 -4.5463 -4.1590 -4.1590 2.1131 2.1131 3.5542 3.5542 3.7314 3.7314 4.7752 4.7752 6.2400 6.2400 7.1417 7.1417 15.4833 15.4833 17.0842 17.0842 19.3239 19.3239 19.6909 19.6909 k = 0.2748-0.4211-0.8224 ( 4249 PWs) bands (ev): -35.3529 -35.3529 -9.3189 -9.3189 -9.1637 -9.1637 -5.1269 -5.1269 -5.0068 -5.0068 -4.6798 -4.6798 -4.5344 -4.5344 -4.1639 -4.1639 2.0918 2.0918 3.5694 3.5694 3.7150 3.7150 4.7077 4.7077 6.2589 6.2589 7.1150 7.1150 15.4935 15.4935 17.1207 17.1207 19.3085 19.3085 19.6687 19.6687 k = 0.2793-0.4281-0.8361 ( 4243 PWs) bands (ev): -35.3526 -35.3526 -9.3001 -9.3001 -9.1658 -9.1658 -5.1213 -5.1213 -5.0079 -5.0079 -4.6781 -4.6781 -4.5220 -4.5220 -4.1701 -4.1701 2.0717 2.0717 3.5876 3.5876 3.7000 3.7000 4.6415 4.6415 6.2797 6.2797 7.0872 7.0872 15.4993 15.4993 17.1630 17.1630 19.2710 19.2710 19.6333 19.6333 k = 0.2839-0.4351-0.8498 ( 4243 PWs) bands (ev): -35.3524 -35.3524 -9.2828 -9.2828 -9.1678 -9.1678 -5.1158 -5.1158 -5.0093 -5.0093 -4.6767 -4.6767 -4.5091 -4.5091 -4.1775 -4.1775 2.0528 2.0528 3.6084 3.6084 3.6867 3.6867 4.5774 4.5774 6.3024 6.3024 7.0586 7.0586 15.5012 15.5012 17.2107 17.2107 19.2098 19.2098 19.6102 19.6102 k = 0.2885-0.4422-0.8635 ( 4243 PWs) bands (ev): -35.3522 -35.3522 -9.2670 -9.2670 -9.1699 -9.1699 -5.1102 -5.1102 -5.0108 -5.0108 -4.6754 -4.6754 -4.4959 -4.4959 -4.1860 -4.1860 2.0351 2.0351 3.6303 3.6303 3.6760 3.6760 4.5158 4.5158 6.3268 6.3268 7.0292 7.0292 15.4994 15.4994 17.2631 17.2631 19.1291 19.1291 19.6009 19.6009 k = 0.2931-0.4492-0.8772 ( 4241 PWs) bands (ev): -35.3521 -35.3521 -9.2527 -9.2527 -9.1718 -9.1718 -5.1046 -5.1046 -5.0126 -5.0126 -4.6744 -4.6744 -4.4823 -4.4823 -4.1954 -4.1954 2.0185 2.0185 3.6487 3.6487 3.6716 3.6716 4.4579 4.4579 6.3527 6.3527 6.9990 6.9990 15.4946 15.4946 17.3198 17.3198 19.0350 19.0350 19.6013 19.6013 k = 0.2977-0.4562-0.8909 ( 4243 PWs) bands (ev): -35.3519 -35.3519 -9.2399 -9.2399 -9.1738 -9.1738 -5.0991 -5.0991 -5.0146 -5.0146 -4.6735 -4.6735 -4.4685 -4.4685 -4.2058 -4.2058 2.0028 2.0028 3.6508 3.6508 3.6851 3.6851 4.4050 4.4050 6.3800 6.3800 6.9682 6.9682 15.4872 15.4872 17.3802 17.3802 18.9321 18.9321 19.6076 19.6076 k = 0.3022-0.4632-0.9046 ( 4241 PWs) bands (ev): -35.3518 -35.3518 -9.2286 -9.2286 -9.1757 -9.1757 -5.0937 -5.0937 -5.0168 -5.0168 -4.6728 -4.6728 -4.4546 -4.4546 -4.2169 -4.2169 1.9881 1.9881 3.6469 3.6469 3.7043 3.7043 4.3592 4.3592 6.4084 6.4084 6.9369 6.9369 15.4775 15.4775 17.4438 17.4438 18.8235 18.8235 19.6177 19.6177 k = 0.3068-0.4702-0.9183 ( 4235 PWs) bands (ev): -35.3517 -35.3517 -9.2187 -9.2187 -9.1775 -9.1775 -5.0884 -5.0884 -5.0193 -5.0193 -4.6722 -4.6722 -4.4406 -4.4406 -4.2286 -4.2286 1.9742 1.9742 3.6443 3.6443 3.7196 3.7196 4.3231 4.3231 6.4379 6.4379 6.9051 6.9051 15.4658 15.4658 17.5101 17.5101 18.7109 18.7109 19.6302 19.6302 k = 0.3114-0.4772-0.9320 ( 4231 PWs) bands (ev): -35.3516 -35.3516 -9.2102 -9.2102 -9.1793 -9.1793 -5.0834 -5.0834 -5.0219 -5.0219 -4.6717 -4.6717 -4.4269 -4.4269 -4.2405 -4.2405 1.9610 1.9610 3.6439 3.6439 3.7267 3.7267 4.2997 4.2997 6.4683 6.4683 6.8729 6.8729 15.4525 15.4525 17.5788 17.5788 18.5955 18.5955 19.6446 19.6446 k = 0.3160-0.4843-0.9457 ( 4233 PWs) bands (ev): -35.3515 -35.3515 -9.2030 -9.2030 -9.1811 -9.1811 -5.0787 -5.0787 -5.0245 -5.0245 -4.6713 -4.6713 -4.4137 -4.4137 -4.2523 -4.2523 1.9483 1.9483 3.6462 3.6462 3.7228 3.7228 4.2919 4.2919 6.4994 6.4994 6.8405 6.8405 15.4377 15.4377 17.6493 17.6493 18.4780 18.4780 19.6603 19.6603 k = 0.3206-0.4913-0.9594 ( 4233 PWs) bands (ev): -35.3514 -35.3514 -9.1972 -9.1972 -9.1828 -9.1828 -5.0745 -5.0745 -5.0271 -5.0271 -4.6710 -4.6710 -4.4016 -4.4016 -4.2635 -4.2635 1.9361 1.9361 3.6510 3.6510 3.7071 3.7071 4.3006 4.3006 6.5311 6.5311 6.8080 6.8080 15.4218 15.4218 17.7213 17.7213 18.3590 18.3590 19.6770 19.6770 k = 0.3251-0.4983-0.9731 ( 4229 PWs) bands (ev): -35.3514 -35.3514 -9.1927 -9.1927 -9.1844 -9.1844 -5.0711 -5.0711 -5.0293 -5.0293 -4.6708 -4.6708 -4.3916 -4.3916 -4.2729 -4.2729 1.9243 1.9243 3.6554 3.6554 3.6834 3.6834 4.3249 4.3249 6.5633 6.5633 6.7756 6.7756 15.4048 15.4048 17.7943 17.7943 18.2390 18.2390 19.6946 19.6946 k = 0.3297-0.5053-0.9868 ( 4229 PWs) bands (ev): -35.3514 -35.3514 -9.1895 -9.1895 -9.1860 -9.1860 -5.0688 -5.0688 -5.0308 -5.0308 -4.6706 -4.6706 -4.3849 -4.3849 -4.2793 -4.2793 1.9127 1.9127 3.6350 3.6350 3.6785 3.6785 4.3622 4.3622 6.5957 6.5957 6.7432 6.7432 15.3868 15.3868 17.8676 17.8676 18.1188 18.1188 19.7129 19.7129 k = 0.3343-0.5123-1.0006 ( 4231 PWs) bands (ev): -35.3514 -35.3514 -9.1883 -9.1883 -9.1865 -9.1865 -5.0682 -5.0682 -5.0312 -5.0312 -4.6705 -4.6705 -4.3833 -4.3833 -4.2811 -4.2811 1.9012 1.9012 3.5931 3.5931 3.6919 3.6919 4.4098 4.4098 6.6283 6.6283 6.7112 6.7112 15.3679 15.3679 17.9350 17.9350 18.0044 18.0044 19.7318 19.7318 k = 0.3389-0.5194-1.0143 ( 4227 PWs) bands (ev): -35.3514 -35.3514 -9.1895 -9.1895 -9.1858 -9.1858 -5.0693 -5.0693 -5.0303 -5.0303 -4.6703 -4.6703 -4.3872 -4.3872 -4.2775 -4.2775 1.8898 1.8898 3.5451 3.5451 3.7104 3.7104 4.4654 4.4654 6.6607 6.6607 6.6799 6.6799 15.3482 15.3482 17.8682 17.8682 18.0240 18.0240 19.7512 19.7512 k = 0.3435-0.5264-1.0280 ( 4225 PWs) bands (ev): -35.3514 -35.3514 -9.1910 -9.1910 -9.1858 -9.1858 -5.0721 -5.0721 -5.0282 -5.0282 -4.6703 -4.6703 -4.3957 -4.3957 -4.2694 -4.2694 1.8784 1.8784 3.4939 3.4939 3.7329 3.7329 4.5272 4.5272 6.6484 6.6484 6.6938 6.6938 15.3276 15.3276 17.7477 17.7477 18.0970 18.0970 19.7710 19.7710 k = 0.6565-0.3777-0.9370 ( 4225 PWs) bands (ev): -35.3514 -35.3514 -9.1910 -9.1910 -9.1858 -9.1858 -5.0721 -5.0721 -5.0282 -5.0282 -4.6703 -4.6703 -4.3957 -4.3957 -4.2694 -4.2694 1.8784 1.8784 3.4939 3.4939 3.7329 3.7329 4.5272 4.5272 6.6484 6.6484 6.6938 6.6938 15.3276 15.3276 17.7477 17.7477 18.0970 18.0970 19.7710 19.7710 k = 0.6519-0.3622-0.9370 ( 4227 PWs) bands (ev): -35.3514 -35.3514 -9.1925 -9.1925 -9.1867 -9.1867 -5.0763 -5.0763 -5.0252 -5.0252 -4.6702 -4.6702 -4.4075 -4.4075 -4.2584 -4.2584 1.8668 1.8668 3.4405 3.4405 3.7592 3.7592 4.5940 4.5940 6.6182 6.6182 6.7263 6.7263 15.3061 15.3061 17.6248 17.6248 18.1717 18.1717 19.7912 19.7912 k = 0.6473-0.3467-0.9370 ( 4225 PWs) bands (ev): -35.3515 -35.3515 -9.1939 -9.1939 -9.1885 -9.1885 -5.0814 -5.0814 -5.0217 -5.0217 -4.6702 -4.6702 -4.4211 -4.4211 -4.2455 -4.2455 1.8552 1.8552 3.3861 3.3861 3.7891 3.7891 4.6645 4.6645 6.5889 6.5889 6.7586 6.7586 15.2837 15.2837 17.5016 17.5016 18.2462 18.2462 19.8116 19.8116 k = 0.6427-0.3312-0.9370 ( 4231 PWs) bands (ev): -35.3516 -35.3516 -9.1954 -9.1954 -9.1911 -9.1911 -5.0873 -5.0873 -5.0179 -5.0179 -4.6703 -4.6703 -4.4358 -4.4358 -4.2316 -4.2316 1.8434 1.8434 3.3314 3.3314 3.8226 3.8226 4.7378 4.7378 6.5609 6.5609 6.7904 6.7904 15.2605 15.2605 17.3784 17.3784 18.3200 18.3200 19.8321 19.8321 k = 0.6381-0.3158-0.9370 ( 4229 PWs) bands (ev): -35.3516 -35.3516 -9.1969 -9.1969 -9.1944 -9.1944 -5.0938 -5.0938 -5.0140 -5.0140 -4.6704 -4.6704 -4.4511 -4.4511 -4.2173 -4.2173 1.8315 1.8315 3.2768 3.2768 3.8595 3.8595 4.8130 4.8130 6.5344 6.5344 6.8218 6.8218 15.2363 15.2363 17.2553 17.2553 18.3927 18.3927 19.8527 19.8527 k = 0.6335-0.3003-0.9370 ( 4229 PWs) bands (ev): -35.3517 -35.3517 -9.1992 -9.1992 -9.1975 -9.1975 -5.1007 -5.1007 -5.0101 -5.0101 -4.6706 -4.6706 -4.4664 -4.4664 -4.2027 -4.2027 1.8195 1.8195 3.2226 3.2226 3.8998 3.8998 4.8894 4.8894 6.5098 6.5098 6.8525 6.8525 15.2111 15.2111 17.1326 17.1326 18.4640 18.4640 19.8733 19.8733 k = 0.6289-0.2848-0.9370 ( 4235 PWs) bands (ev): -35.3518 -35.3518 -9.2036 -9.2036 -9.1991 -9.1991 -5.1080 -5.1080 -5.0063 -5.0063 -4.6709 -4.6709 -4.4817 -4.4817 -4.1881 -4.1881 1.8074 1.8074 3.1692 3.1692 3.9432 3.9432 4.9664 4.9664 6.4875 6.4875 6.8826 6.8826 15.1849 15.1849 17.0103 17.0103 18.5336 18.5336 19.8938 19.8938 k = 0.6243-0.2693-0.9370 ( 4231 PWs) bands (ev): -35.3519 -35.3519 -9.2088 -9.2088 -9.2004 -9.2004 -5.1155 -5.1155 -5.0025 -5.0025 -4.6714 -4.6714 -4.4967 -4.4967 -4.1736 -4.1736 1.7952 1.7952 3.1166 3.1166 3.9895 3.9895 5.0431 5.0431 6.4680 6.4680 6.9118 6.9118 15.1576 15.1576 16.8886 16.8886 18.6012 18.6012 19.9141 19.9141 k = 0.6197-0.2538-0.9370 ( 4227 PWs) bands (ev): -35.3520 -35.3520 -9.2145 -9.2145 -9.2017 -9.2017 -5.1233 -5.1233 -4.9990 -4.9990 -4.6722 -4.6722 -4.5111 -4.5111 -4.1593 -4.1593 1.7829 1.7829 3.0651 3.0651 4.0386 4.0386 5.1187 5.1187 6.4517 6.4517 6.9403 6.9403 15.1292 15.1292 16.7677 16.7677 18.6665 18.6665 19.9341 19.9341 k = 0.6151-0.2383-0.9370 ( 4229 PWs) bands (ev): -35.3521 -35.3521 -9.2206 -9.2206 -9.2029 -9.2029 -5.1313 -5.1313 -4.9955 -4.9955 -4.6733 -4.6733 -4.5249 -4.5249 -4.1453 -4.1453 1.7706 1.7706 3.0148 3.0148 4.0902 4.0902 5.1922 5.1922 6.4393 6.4393 6.9678 6.9678 15.0996 15.0996 16.6477 16.6477 18.7293 18.7293 19.9538 19.9538 k = 0.6105-0.2229-0.9370 ( 4225 PWs) bands (ev): -35.3523 -35.3523 -9.2271 -9.2271 -9.2041 -9.2041 -5.1394 -5.1394 -4.9923 -4.9923 -4.6748 -4.6748 -4.5378 -4.5378 -4.1316 -4.1316 1.7584 1.7584 2.9658 2.9658 4.1440 4.1440 5.2628 5.2628 6.4315 6.4315 6.9943 6.9943 15.0689 15.0689 16.5287 16.5287 18.7893 18.7893 19.9731 19.9731 k = 0.6059-0.2074-0.9370 ( 4221 PWs) bands (ev): -35.3524 -35.3524 -9.2339 -9.2339 -9.2052 -9.2052 -5.1476 -5.1476 -4.9893 -4.9893 -4.6769 -4.6769 -4.5497 -4.5497 -4.1183 -4.1183 1.7462 1.7462 2.9182 2.9182 4.1998 4.1998 5.3293 5.3293 6.4293 6.4293 7.0197 7.0197 15.0370 15.0370 16.4110 16.4110 18.8462 18.8462 19.9920 19.9920 k = 0.6013-0.1919-0.9370 ( 4221 PWs) bands (ev): -35.3525 -35.3525 -9.2408 -9.2408 -9.2063 -9.2063 -5.1558 -5.1558 -4.9865 -4.9865 -4.6795 -4.6795 -4.5604 -4.5604 -4.1055 -4.1055 1.7342 1.7342 2.8721 2.8721 4.2573 4.2573 5.3907 5.3907 6.4333 6.4333 7.0441 7.0441 15.0040 15.0040 16.2946 16.2946 18.8999 18.8999 20.0102 20.0102 k = 0.5967-0.1764-0.9370 ( 4219 PWs) bands (ev): -35.3526 -35.3526 -9.2479 -9.2479 -9.2073 -9.2073 -5.1640 -5.1640 -4.9840 -4.9840 -4.6829 -4.6829 -4.5698 -4.5698 -4.0931 -4.0931 1.7223 1.7223 2.8277 2.8277 4.3161 4.3161 5.4457 5.4457 6.4445 6.4445 7.0673 7.0673 14.9699 14.9699 16.1800 16.1800 18.9502 18.9502 20.0279 20.0279 k = 0.5921-0.1609-0.9370 ( 4215 PWs) bands (ev): -35.3528 -35.3528 -9.2551 -9.2551 -9.2084 -9.2084 -5.1722 -5.1722 -4.9817 -4.9817 -4.6871 -4.6871 -4.5778 -4.5778 -4.0812 -4.0812 1.7107 1.7107 2.7848 2.7848 4.3760 4.3760 5.4936 5.4936 6.4634 6.4634 7.0894 7.0894 14.9348 14.9348 16.0672 16.0672 18.9969 18.9969 20.0450 20.0450 k = 0.5875-0.1455-0.9370 ( 4223 PWs) bands (ev): -35.3529 -35.3529 -9.2624 -9.2624 -9.2093 -9.2093 -5.1802 -5.1802 -4.9797 -4.9797 -4.6920 -4.6920 -4.5843 -4.5843 -4.0698 -4.0698 1.6994 1.6994 2.7437 2.7437 4.4365 4.4365 5.5337 5.5337 6.4903 6.4903 7.1102 7.1102 14.8989 14.8989 15.9565 15.9565 19.0399 19.0399 20.0613 20.0613 k = 0.5829-0.1300-0.9370 ( 4219 PWs) bands (ev): -35.3530 -35.3530 -9.2696 -9.2696 -9.2103 -9.2103 -5.1882 -5.1882 -4.9779 -4.9779 -4.6976 -4.6976 -4.5894 -4.5894 -4.0590 -4.0590 1.6883 1.6883 2.7044 2.7044 4.4974 4.4974 5.5661 5.5661 6.5249 6.5249 7.1298 7.1298 14.8622 14.8622 15.8483 15.8483 19.0793 19.0793 20.0768 20.0768 k = 0.5783-0.1145-0.9370 ( 4219 PWs) bands (ev): -35.3532 -35.3532 -9.2767 -9.2767 -9.2111 -9.2111 -5.1959 -5.1959 -4.9763 -4.9763 -4.7038 -4.7038 -4.5934 -4.5934 -4.0487 -4.0487 1.6777 1.6777 2.6669 2.6669 4.5582 4.5582 5.5909 5.5909 6.5667 6.5667 7.1481 7.1481 14.8250 14.8250 15.7427 15.7427 19.1150 19.1150 20.0916 20.0916 k = 0.5737-0.0990-0.9370 ( 4219 PWs) bands (ev): -35.3533 -35.3533 -9.2837 -9.2837 -9.2120 -9.2120 -5.2034 -5.2034 -4.9751 -4.9751 -4.7103 -4.7103 -4.5962 -4.5962 -4.0390 -4.0390 1.6674 1.6674 2.6312 2.6312 4.6186 4.6186 5.6090 5.6090 6.6145 6.6145 7.1651 7.1651 14.7874 14.7874 15.6401 15.6401 19.1471 19.1471 20.1054 20.1054 k = 0.5691-0.0835-0.9370 ( 4221 PWs) bands (ev): -35.3534 -35.3534 -9.2905 -9.2905 -9.2128 -9.2128 -5.2107 -5.2107 -4.9740 -4.9740 -4.7169 -4.7169 -4.5982 -4.5982 -4.0298 -4.0298 1.6576 1.6576 2.5976 2.5976 4.6782 4.6782 5.6214 5.6214 6.6670 6.6670 7.1809 7.1809 14.7498 14.7498 15.5409 15.5409 19.1757 19.1757 20.1184 20.1184 k = 0.5645-0.0680-0.9370 ( 4221 PWs) bands (ev): -35.3535 -35.3535 -9.2971 -9.2971 -9.2135 -9.2135 -5.2177 -5.2177 -4.9732 -4.9732 -4.7235 -4.7235 -4.5995 -4.5995 -4.0212 -4.0212 1.6483 1.6483 2.5658 2.5658 4.7366 4.7366 5.6291 5.6291 6.7227 6.7227 7.1954 7.1954 14.7123 14.7123 15.4453 15.4453 19.2010 19.2010 20.1305 20.1305 k = 0.5599-0.0526-0.9370 ( 4223 PWs) bands (ev): -35.3537 -35.3537 -9.3034 -9.3034 -9.2143 -9.2143 -5.2244 -5.2244 -4.9726 -4.9726 -4.7299 -4.7299 -4.6003 -4.6003 -4.0132 -4.0132 1.6395 1.6395 2.5361 2.5361 4.7933 4.7933 5.6330 5.6330 6.7804 6.7804 7.2087 7.2087 14.6753 14.6753 15.3539 15.3539 19.2232 19.2232 20.1417 20.1417 k = 0.5552-0.0371-0.9370 ( 4220 PWs) bands (ev): -35.3538 -35.3538 -9.3094 -9.3094 -9.2149 -9.2149 -5.2307 -5.2307 -4.9722 -4.9722 -4.7361 -4.7361 -4.6007 -4.6007 -4.0057 -4.0057 1.6312 1.6312 2.5085 2.5085 4.8480 4.8480 5.6341 5.6341 6.8386 6.8386 7.2207 7.2207 14.6392 14.6392 15.2668 15.2668 19.2425 19.2425 20.1519 20.1519 k = 0.5506-0.0216-0.9370 ( 4220 PWs) bands (ev): -35.3539 -35.3539 -9.3150 -9.3150 -9.2155 -9.2155 -5.2366 -5.2366 -4.9720 -4.9720 -4.7419 -4.7419 -4.6007 -4.6007 -3.9989 -3.9989 1.6235 1.6235 2.4829 2.4829 4.9003 4.9003 5.6332 5.6332 6.8962 6.8962 7.2315 7.2315 14.6042 14.6042 15.1847 15.1847 19.2591 19.2591 20.1611 20.1611 k = 0.5460-0.0061-0.9370 ( 4218 PWs) bands (ev): -35.3540 -35.3540 -9.3203 -9.3203 -9.2161 -9.2161 -5.2421 -5.2421 -4.9719 -4.9719 -4.7473 -4.7473 -4.6006 -4.6006 -3.9927 -3.9927 1.6164 1.6164 2.4595 2.4595 4.9497 4.9497 5.6309 5.6309 6.9521 6.9521 7.2411 7.2411 14.5707 14.5707 15.1078 15.1078 19.2733 19.2733 20.1695 20.1695 k = 0.5414 0.0094-0.9370 ( 4222 PWs) bands (ev): -35.3541 -35.3541 -9.3252 -9.3252 -9.2166 -9.2166 -5.2472 -5.2472 -4.9719 -4.9719 -4.7521 -4.7521 -4.6003 -4.6003 -3.9870 -3.9870 1.6099 1.6099 2.4382 2.4382 4.9959 4.9959 5.6276 5.6276 7.0055 7.0055 7.2496 7.2496 14.5390 14.5390 15.0366 15.0366 19.2853 19.2853 20.1768 20.1768 k = 0.5368 0.0248-0.9370 ( 4218 PWs) bands (ev): -35.3541 -35.3541 -9.3296 -9.3296 -9.2171 -9.2171 -5.2518 -5.2518 -4.9721 -4.9721 -4.7565 -4.7565 -4.5999 -4.5999 -3.9820 -3.9820 1.6041 1.6041 2.4191 2.4191 5.0384 5.0384 5.6239 5.6239 7.0555 7.0555 7.2570 7.2570 14.5096 14.5096 14.9715 14.9715 19.2954 19.2954 20.1833 20.1833 k = 0.5322 0.0403-0.9370 ( 4212 PWs) bands (ev): -35.3542 -35.3542 -9.3336 -9.3336 -9.2175 -9.2175 -5.2559 -5.2559 -4.9723 -4.9723 -4.7604 -4.7604 -4.5994 -4.5994 -3.9775 -3.9775 1.5989 1.5989 2.4021 2.4021 5.0769 5.0769 5.6200 5.6200 7.1013 7.1013 7.2634 7.2634 14.4827 14.4827 14.9130 14.9130 19.3037 19.3037 20.1889 20.1889 k = 0.5276 0.0558-0.9370 ( 4206 PWs) bands (ev): -35.3543 -35.3543 -9.3371 -9.3371 -9.2179 -9.2179 -5.2595 -5.2595 -4.9726 -4.9726 -4.7638 -4.7638 -4.5990 -4.5990 -3.9736 -3.9736 1.5943 1.5943 2.3874 2.3874 5.1111 5.1111 5.6163 5.6163 7.1422 7.1422 7.2688 7.2688 14.4586 14.4586 14.8613 14.8613 19.3105 19.3105 20.1937 20.1937 k = 0.5230 0.0713-0.9370 ( 4210 PWs) bands (ev): -35.3543 -35.3543 -9.3401 -9.3401 -9.2182 -9.2182 -5.2625 -5.2625 -4.9728 -4.9728 -4.7666 -4.7666 -4.5986 -4.5986 -3.9704 -3.9704 1.5905 1.5905 2.3749 2.3749 5.1406 5.1406 5.6128 5.6128 7.1779 7.1779 7.2734 7.2734 14.4378 14.4378 14.8169 14.8169 19.3159 19.3159 20.1977 20.1977 k = 0.5184 0.0868-0.9370 ( 4210 PWs) bands (ev): -35.3544 -35.3544 -9.3425 -9.3425 -9.2184 -9.2184 -5.2651 -5.2651 -4.9731 -4.9731 -4.7689 -4.7689 -4.5982 -4.5982 -3.9677 -3.9677 1.5873 1.5873 2.3647 2.3647 5.1651 5.1651 5.6097 5.6097 7.2076 7.2076 7.2771 7.2771 14.4203 14.4203 14.7801 14.7801 19.3202 19.3202 20.2008 20.2008 k = 0.5138 0.1023-0.9370 ( 4210 PWs) bands (ev): -35.3544 -35.3544 -9.3445 -9.3445 -9.2186 -9.2186 -5.2671 -5.2671 -4.9733 -4.9733 -4.7707 -4.7707 -4.5979 -4.5979 -3.9656 -3.9656 1.5848 1.5848 2.3567 2.3567 5.1844 5.1844 5.6073 5.6073 7.2310 7.2310 7.2800 7.2800 14.4064 14.4064 14.7512 14.7512 19.3233 19.3233 20.2033 20.2033 k = 0.5092 0.1177-0.9370 ( 4206 PWs) bands (ev): -35.3544 -35.3544 -9.3459 -9.3459 -9.2188 -9.2188 -5.2685 -5.2685 -4.9735 -4.9735 -4.7719 -4.7719 -4.5976 -4.5976 -3.9641 -3.9641 1.5831 1.5831 2.3510 2.3510 5.1984 5.1984 5.6054 5.6054 7.2477 7.2477 7.2823 7.2823 14.3964 14.3964 14.7303 14.7303 19.3255 19.3255 20.2050 20.2050 k = 0.5046 0.1332-0.9370 ( 4208 PWs) bands (ev): -35.3545 -35.3545 -9.3467 -9.3467 -9.2188 -9.2188 -5.2693 -5.2693 -4.9736 -4.9736 -4.7727 -4.7727 -4.5975 -4.5975 -3.9632 -3.9632 1.5820 1.5820 2.3476 2.3476 5.2068 5.2068 5.6043 5.6043 7.2576 7.2576 7.2839 7.2839 14.3904 14.3904 14.7178 14.7178 19.3268 19.3268 20.2060 20.2060 k = 0.5000 0.1487-0.9370 ( 4214 PWs) bands (ev): -35.3545 -35.3545 -9.3470 -9.3470 -9.2189 -9.2189 -5.2696 -5.2696 -4.9736 -4.9736 -4.7729 -4.7729 -4.5974 -4.5974 -3.9629 -3.9629 1.5816 1.5816 2.3465 2.3465 5.2096 5.2096 5.6039 5.6039 7.2609 7.2609 7.2845 7.2845 14.3883 14.3883 14.7136 14.7136 19.3272 19.3272 20.2063 20.2063 k = 0.5000 0.1487-0.9370 ( 4214 PWs) bands (ev): -35.3545 -35.3545 -9.3470 -9.3470 -9.2189 -9.2189 -5.2696 -5.2696 -4.9736 -4.9736 -4.7729 -4.7729 -4.5974 -4.5974 -3.9629 -3.9629 1.5816 1.5816 2.3465 2.3465 5.2096 5.2096 5.6039 5.6039 7.2609 7.2609 7.2845 7.2845 14.3883 14.3883 14.7136 14.7136 19.3272 19.3272 20.2063 20.2063 k = 0.5130 0.1526-0.9295 ( 4212 PWs) bands (ev): -35.3545 -35.3545 -9.3472 -9.3472 -9.2187 -9.2187 -5.2696 -5.2696 -4.9736 -4.9736 -4.7730 -4.7730 -4.5975 -4.5975 -3.9632 -3.9632 1.5819 1.5819 2.3480 2.3480 5.2101 5.2101 5.6039 5.6039 7.2601 7.2601 7.2819 7.2819 14.3885 14.3885 14.7170 14.7170 19.3283 19.3283 20.2045 20.2045 k = 0.5261 0.1565-0.9219 ( 4211 PWs) bands (ev): -35.3545 -35.3545 -9.3480 -9.3480 -9.2183 -9.2183 -5.2696 -5.2696 -4.9737 -4.9737 -4.7731 -4.7731 -4.5975 -4.5975 -3.9640 -3.9640 1.5827 1.5827 2.3528 2.3528 5.2113 5.2113 5.6036 5.6036 7.2577 7.2577 7.2743 7.2743 14.3888 14.3888 14.7275 14.7275 19.3314 19.3314 20.1990 20.1990 k = 0.5391 0.1603-0.9143 ( 4212 PWs) bands (ev): -35.3545 -35.3545 -9.3492 -9.3492 -9.2176 -9.2176 -5.2696 -5.2696 -4.9737 -4.9737 -4.7732 -4.7732 -4.5976 -4.5976 -3.9654 -3.9654 1.5841 1.5841 2.3606 2.3606 5.2134 5.2134 5.6033 5.6033 7.2511 7.2511 7.2643 7.2643 14.3894 14.3894 14.7449 14.7449 19.3366 19.3366 20.1897 20.1897 k = 0.5522 0.1642-0.9067 ( 4211 PWs) bands (ev): -35.3545 -35.3545 -9.3509 -9.3509 -9.2166 -9.2166 -5.2696 -5.2696 -4.9738 -4.9738 -4.7734 -4.7734 -4.5977 -4.5977 -3.9673 -3.9673 1.5860 1.5860 2.3716 2.3716 5.2164 5.2164 5.6027 5.6027 7.2350 7.2350 7.2572 7.2572 14.3903 14.3903 14.7690 14.7690 19.3438 19.3438 20.1767 20.1767 k = 0.5652 0.1681-0.8992 ( 4205 PWs) bands (ev): -35.3545 -35.3545 -9.3530 -9.3530 -9.2153 -9.2153 -5.2695 -5.2695 -4.9738 -4.9738 -4.7736 -4.7736 -4.5979 -4.5979 -3.9698 -3.9698 1.5885 1.5885 2.3855 2.3855 5.2202 5.2202 5.6021 5.6021 7.2110 7.2110 7.2519 7.2519 14.3914 14.3914 14.7998 14.7998 19.3530 19.3530 20.1598 20.1598 k = 0.5783 0.1720-0.8916 ( 4208 PWs) bands (ev): -35.3545 -35.3545 -9.3556 -9.3556 -9.2138 -9.2138 -5.2695 -5.2695 -4.9739 -4.9739 -4.7739 -4.7739 -4.5981 -4.5981 -3.9727 -3.9727 1.5916 1.5916 2.4022 2.4022 5.2247 5.2247 5.6014 5.6014 7.1812 7.1812 7.2463 7.2463 14.3927 14.3927 14.8370 14.8370 19.3641 19.3641 20.1390 20.1390 k = 0.5913 0.1759-0.8840 ( 4214 PWs) bands (ev): -35.3545 -35.3545 -9.3586 -9.3586 -9.2121 -9.2121 -5.2694 -5.2694 -4.9740 -4.9740 -4.7743 -4.7743 -4.5983 -4.5983 -3.9761 -3.9761 1.5954 1.5954 2.4217 2.4217 5.2301 5.2301 5.6006 5.6006 7.1463 7.1463 7.2400 7.2400 14.3943 14.3943 14.8805 14.8805 19.3770 19.3770 20.1142 20.1142 k = 0.6044 0.1797-0.8764 ( 4210 PWs) bands (ev): -35.3546 -35.3546 -9.3620 -9.3620 -9.2103 -9.2103 -5.2694 -5.2694 -4.9741 -4.9741 -4.7747 -4.7747 -4.5985 -4.5985 -3.9799 -3.9799 1.5997 1.5997 2.4438 2.4438 5.2362 5.2362 5.5998 5.5998 7.1068 7.1068 7.2330 7.2330 14.3961 14.3961 14.9298 14.9298 19.3916 19.3916 20.0852 20.0852 k = 0.6174 0.1836-0.8689 ( 4207 PWs) bands (ev): -35.3546 -35.3546 -9.3658 -9.3658 -9.2082 -9.2082 -5.2693 -5.2693 -4.9743 -4.9743 -4.7751 -4.7751 -4.5988 -4.5988 -3.9840 -3.9840 1.6048 1.6048 2.4684 2.4684 5.2431 5.2431 5.5989 5.5989 7.0630 7.0630 7.2252 7.2252 14.3981 14.3981 14.9848 14.9848 19.4077 19.4077 20.0521 20.0521 k = 0.6305 0.1875-0.8613 ( 4208 PWs) bands (ev): -35.3546 -35.3546 -9.3700 -9.3700 -9.2060 -9.2060 -5.2692 -5.2692 -4.9744 -4.9744 -4.7756 -4.7756 -4.5991 -4.5991 -3.9886 -3.9886 1.6105 1.6105 2.4952 2.4952 5.2507 5.2507 5.5981 5.5981 7.0153 7.0153 7.2168 7.2168 14.4004 14.4004 15.0452 15.0452 19.4252 19.4252 20.0149 20.0149 k = 0.6435 0.1914-0.8537 ( 4208 PWs) bands (ev): -35.3547 -35.3547 -9.3745 -9.3745 -9.2037 -9.2037 -5.2692 -5.2692 -4.9746 -4.9746 -4.7762 -4.7762 -4.5995 -4.5995 -3.9934 -3.9934 1.6170 1.6170 2.5240 2.5240 5.2590 5.2590 5.5973 5.5973 6.9641 6.9641 7.2076 7.2076 14.4030 14.4030 15.1106 15.1106 19.4438 19.4438 19.9737 19.9737 k = 0.6565 0.1953-0.8461 ( 4208 PWs) bands (ev): -35.3547 -35.3547 -9.3793 -9.3793 -9.2012 -9.2012 -5.2691 -5.2691 -4.9747 -4.9747 -4.7768 -4.7768 -4.5999 -4.5999 -3.9984 -3.9984 1.6242 1.6242 2.5548 2.5548 5.2679 5.2679 5.5966 5.5966 6.9098 6.9098 7.1979 7.1979 14.4058 14.4058 15.1806 15.1806 19.4631 19.4631 19.9286 19.9286 k = 0.6565 0.1953-0.8461 ( 4208 PWs) bands (ev): -35.3547 -35.3547 -9.3793 -9.3793 -9.2012 -9.2012 -5.2691 -5.2691 -4.9747 -4.9747 -4.7768 -4.7768 -4.5999 -4.5999 -3.9984 -3.9984 1.6242 1.6242 2.5548 2.5548 5.2679 5.2679 5.5966 5.5966 6.9098 6.9098 7.1979 7.1979 14.4058 14.4058 15.1806 15.1806 19.4631 19.4631 19.9286 19.9286 k = 0.6539 0.1945-0.8303 ( 4206 PWs) bands (ev): -35.3548 -35.3548 -9.3847 -9.3847 -9.2057 -9.2057 -5.2684 -5.2684 -4.9746 -4.9746 -4.7779 -4.7779 -4.6010 -4.6010 -4.0074 -4.0074 1.6341 1.6341 2.5836 2.5836 5.2745 5.2745 5.6154 5.6154 6.8826 6.8826 7.2004 7.2004 14.4102 14.4102 15.2007 15.2007 19.4840 19.4840 19.8945 19.8945 k = 0.6512 0.1937-0.8144 ( 4212 PWs) bands (ev): -35.3550 -35.3550 -9.3925 -9.3925 -9.2100 -9.2100 -5.2676 -5.2676 -4.9744 -4.9744 -4.7793 -4.7793 -4.6023 -4.6023 -4.0177 -4.0177 1.6476 1.6476 2.6164 2.6164 5.2828 5.2828 5.6338 5.6338 6.8551 6.8551 7.2032 7.2032 14.4152 14.4152 15.2236 15.2236 19.5054 19.5054 19.8601 19.8601 k = 0.6486 0.1929-0.7985 ( 4211 PWs) bands (ev): -35.3552 -35.3552 -9.4028 -9.4028 -9.2142 -9.2142 -5.2667 -5.2667 -4.9743 -4.9743 -4.7809 -4.7809 -4.6039 -4.6039 -4.0293 -4.0293 1.6648 1.6648 2.6532 2.6532 5.2927 5.2927 5.6516 5.6516 6.8272 6.8272 7.2064 7.2064 14.4208 14.4208 15.2493 15.2493 19.5264 19.5264 19.8262 19.8262 k = 0.6459 0.1921-0.7826 ( 4207 PWs) bands (ev): -35.3554 -35.3554 -9.4156 -9.4156 -9.2180 -9.2180 -5.2657 -5.2657 -4.9741 -4.9741 -4.7827 -4.7827 -4.6057 -4.6057 -4.0422 -4.0422 1.6856 1.6856 2.6938 2.6938 5.3042 5.3042 5.6688 5.6688 6.7992 6.7992 7.2099 7.2099 14.4270 14.4270 15.2775 15.2775 19.5454 19.5454 19.7947 19.7947 k = 0.6433 0.1913-0.7667 ( 4214 PWs) bands (ev): -35.3557 -35.3557 -9.4308 -9.4308 -9.2214 -9.2214 -5.2646 -5.2646 -4.9740 -4.9740 -4.7847 -4.7847 -4.6078 -4.6078 -4.0562 -4.0562 1.7099 1.7099 2.7381 2.7381 5.3174 5.3174 5.6855 5.6855 6.7710 6.7710 7.2137 7.2137 14.4339 14.4339 15.3081 15.3081 19.5591 19.5591 19.7688 19.7688 k = 0.6406 0.1905-0.7508 ( 4211 PWs) bands (ev): -35.3559 -35.3559 -9.4484 -9.4484 -9.2245 -9.2245 -5.2634 -5.2634 -4.9739 -4.9739 -4.7870 -4.7870 -4.6100 -4.6100 -4.0713 -4.0713 1.7376 1.7376 2.7860 2.7860 5.3321 5.3321 5.7016 5.7016 6.7428 6.7428 7.2177 7.2177 14.4412 14.4412 15.3410 15.3410 19.5625 19.5625 19.7533 19.7533 k = 0.6380 0.1897-0.7350 ( 4205 PWs) bands (ev): -35.3562 -35.3562 -9.4683 -9.4683 -9.2272 -9.2272 -5.2622 -5.2622 -4.9740 -4.9740 -4.7894 -4.7894 -4.6125 -4.6125 -4.0873 -4.0873 1.7686 1.7686 2.8373 2.8373 5.3484 5.3484 5.7171 5.7171 6.7147 6.7147 7.2221 7.2221 14.4490 14.4490 15.3761 15.3761 19.5513 19.5513 19.7522 19.7522 k = 0.6353 0.1889-0.7191 ( 4211 PWs) bands (ev): -35.3566 -35.3566 -9.4904 -9.4904 -9.2296 -9.2296 -5.2609 -5.2609 -4.9741 -4.9741 -4.7919 -4.7919 -4.6151 -4.6151 -4.1043 -4.1043 1.8028 1.8028 2.8920 2.8920 5.3662 5.3662 5.7320 5.7320 6.6867 6.6867 7.2267 7.2267 14.4571 14.4571 15.4132 15.4132 19.5267 19.5267 19.7642 19.7642 k = 0.6327 0.1881-0.7032 ( 4211 PWs) bands (ev): -35.3570 -35.3570 -9.5145 -9.5145 -9.2316 -9.2316 -5.2596 -5.2596 -4.9745 -4.9745 -4.7945 -4.7945 -4.6179 -4.6179 -4.1221 -4.1221 1.8401 1.8401 2.9498 2.9498 5.3855 5.3855 5.7463 5.7463 6.6590 6.6590 7.2316 7.2316 14.4653 14.4653 15.4522 15.4522 19.4931 19.4931 19.7843 19.7843 k = 0.6300 0.1874-0.6873 ( 4217 PWs) bands (ev): -35.3573 -35.3573 -9.5405 -9.5405 -9.2334 -9.2334 -5.2583 -5.2583 -4.9750 -4.9750 -4.7972 -4.7972 -4.6209 -4.6209 -4.1406 -4.1406 1.8803 1.8803 3.0107 3.0107 5.4063 5.4063 5.7601 5.7601 6.6317 6.6317 7.2368 7.2368 14.4733 14.4733 15.4931 15.4931 19.4543 19.4543 19.8081 19.8081 k = 0.6274 0.1866-0.6714 ( 4210 PWs) bands (ev): -35.3577 -35.3577 -9.5683 -9.5683 -9.2350 -9.2350 -5.2570 -5.2570 -4.9758 -4.9758 -4.7999 -4.7999 -4.6241 -4.6241 -4.1597 -4.1597 1.9233 1.9233 3.0744 3.0744 5.4285 5.4285 5.7735 5.7735 6.6048 6.6048 7.2421 7.2421 14.4810 14.4810 15.5357 15.5357 19.4125 19.4125 19.8326 19.8326 k = 0.6247 0.1858-0.6555 ( 4201 PWs) bands (ev): -35.3582 -35.3582 -9.5976 -9.5976 -9.2364 -9.2364 -5.2557 -5.2557 -4.9769 -4.9769 -4.8027 -4.8027 -4.6274 -4.6274 -4.1794 -4.1794 1.9689 1.9689 3.1408 3.1408 5.4520 5.4520 5.7864 5.7864 6.5783 6.5783 7.2477 7.2477 14.4881 14.4881 15.5798 15.5798 19.3689 19.3689 19.8556 19.8556 k = 0.6220 0.1850-0.6397 ( 4201 PWs) bands (ev): -35.3586 -35.3586 -9.6284 -9.6284 -9.2376 -9.2376 -5.2544 -5.2544 -4.9784 -4.9784 -4.8054 -4.8054 -4.6308 -4.6308 -4.1995 -4.1995 2.0170 2.0170 3.2097 3.2097 5.4770 5.4770 5.7991 5.7991 6.5525 6.5525 7.2534 7.2534 14.4942 14.4942 15.6254 15.6254 19.3241 19.3241 19.8754 19.8754 k = 0.6194 0.1842-0.6238 ( 4196 PWs) bands (ev): -35.3591 -35.3591 -9.6605 -9.6605 -9.2388 -9.2388 -5.2532 -5.2532 -4.9802 -4.9802 -4.8080 -4.8080 -4.6343 -4.6343 -4.2200 -4.2200 2.0674 2.0674 3.2811 3.2811 5.5032 5.5032 5.8115 5.8115 6.5273 6.5273 7.2593 7.2593 14.4991 14.4991 15.6722 15.6722 19.2788 19.2788 19.8903 19.8903 k = 0.6167 0.1834-0.6079 ( 4196 PWs) bands (ev): -35.3596 -35.3596 -9.6937 -9.6937 -9.2398 -9.2398 -5.2521 -5.2521 -4.9825 -4.9825 -4.8105 -4.8105 -4.6379 -4.6379 -4.2408 -4.2408 2.1197 2.1197 3.3546 3.3546 5.5307 5.5307 5.8238 5.8238 6.5029 6.5029 7.2654 7.2654 14.5024 14.5024 15.7200 15.7200 19.2332 19.2332 19.8993 19.8993 k = 0.6141 0.1826-0.5920 ( 4196 PWs) bands (ev): -35.3601 -35.3601 -9.7280 -9.7280 -9.2407 -9.2407 -5.2510 -5.2510 -4.9852 -4.9852 -4.8129 -4.8129 -4.6416 -4.6416 -4.2618 -4.2618 2.1739 2.1739 3.4302 3.4302 5.5594 5.5594 5.8361 5.8361 6.4794 6.4794 7.2715 7.2715 14.5038 14.5038 15.7685 15.7685 19.1877 19.1877 19.9018 19.9018 k = 0.6114 0.1818-0.5761 ( 4202 PWs) bands (ev): -35.3607 -35.3607 -9.7631 -9.7631 -9.2415 -9.2415 -5.2500 -5.2500 -4.9884 -4.9884 -4.8151 -4.8151 -4.6453 -4.6453 -4.2828 -4.2828 2.2297 2.2297 3.5078 3.5078 5.5892 5.5892 5.8485 5.8485 6.4567 6.4567 7.2778 7.2778 14.5029 14.5029 15.8175 15.8175 19.1427 19.1427 19.8981 19.8981 k = 0.6088 0.1810-0.5603 ( 4198 PWs) bands (ev): -35.3612 -35.3612 -9.7991 -9.7991 -9.2423 -9.2423 -5.2492 -5.2492 -4.9921 -4.9921 -4.8171 -4.8171 -4.6491 -4.6491 -4.3039 -4.3039 2.2868 2.2868 3.5870 3.5870 5.6201 5.6201 5.8611 5.8611 6.4351 6.4351 7.2841 7.2841 14.4995 14.4995 15.8666 15.8666 19.0986 19.0986 19.8888 19.8888 k = 0.6061 0.1803-0.5444 ( 4198 PWs) bands (ev): -35.3618 -35.3618 -9.8357 -9.8357 -9.2430 -9.2430 -5.2484 -5.2484 -4.9964 -4.9964 -4.8189 -4.8189 -4.6530 -4.6530 -4.3249 -4.3249 2.3451 2.3451 3.6679 3.6679 5.6521 5.6521 5.8740 5.8740 6.4147 6.4147 7.2904 7.2904 14.4933 14.4933 15.9152 15.9152 19.0559 19.0559 19.8753 19.8753 k = 0.6035 0.1795-0.5285 ( 4199 PWs) bands (ev): -35.3623 -35.3623 -9.8728 -9.8728 -9.2437 -9.2437 -5.2478 -5.2478 -5.0012 -5.0012 -4.8205 -4.8205 -4.6568 -4.6568 -4.3458 -4.3458 2.4041 2.4041 3.7501 3.7501 5.6851 5.6851 5.8874 5.8874 6.3955 6.3955 7.2968 7.2968 14.4839 14.4839 15.9629 15.9629 19.0150 19.0150 19.8588 19.8588 k = 0.6008 0.1787-0.5126 ( 4198 PWs) bands (ev): -35.3629 -35.3629 -9.9103 -9.9103 -9.2443 -9.2443 -5.2473 -5.2473 -5.0065 -5.0065 -4.8219 -4.8219 -4.6607 -4.6607 -4.3665 -4.3665 2.4636 2.4636 3.8337 3.8337 5.7190 5.7190 5.9012 5.9012 6.3777 6.3777 7.3031 7.3031 14.4710 14.4710 16.0090 16.0090 18.9767 18.9767 19.8407 19.8407 k = 0.5982 0.1779-0.4967 ( 4190 PWs) bands (ev): -35.3635 -35.3635 -9.9481 -9.9481 -9.2450 -9.2450 -5.2469 -5.2469 -5.0123 -5.0123 -4.8232 -4.8232 -4.6645 -4.6645 -4.3868 -4.3868 2.5234 2.5234 3.9184 3.9184 5.7537 5.7537 5.9155 5.9155 6.3616 6.3616 7.3094 7.3094 14.4545 14.4545 16.0527 16.0527 18.9416 18.9416 19.8222 19.8222 k = 0.5955 0.1771-0.4808 ( 4192 PWs) bands (ev): -35.3641 -35.3641 -9.9861 -9.9861 -9.2456 -9.2456 -5.2467 -5.2467 -5.0186 -5.0186 -4.8244 -4.8244 -4.6683 -4.6683 -4.4069 -4.4069 2.5831 2.5831 4.0041 4.0041 5.7892 5.7892 5.9303 5.9303 6.3474 6.3474 7.3157 7.3157 14.4342 14.4342 16.0933 16.0933 18.9106 18.9106 19.8042 19.8042 k = 0.5929 0.1763-0.4650 ( 4194 PWs) bands (ev): -35.3647 -35.3647 -10.0242 -10.0242 -9.2461 -9.2461 -5.2466 -5.2466 -5.0253 -5.0253 -4.8254 -4.8254 -4.6721 -4.6721 -4.4264 -4.4264 2.6425 2.6425 4.0907 4.0907 5.8255 5.8255 5.9455 5.9455 6.3354 6.3354 7.3218 7.3218 14.4098 14.4098 16.1298 16.1298 18.8847 18.8847 19.7877 19.7877 k = 0.5902 0.1755-0.4491 ( 4193 PWs) bands (ev): -35.3654 -35.3654 -10.0623 -10.0623 -9.2467 -9.2467 -5.2467 -5.2467 -5.0324 -5.0324 -4.8264 -4.8264 -4.6757 -4.6757 -4.4455 -4.4455 2.7012 2.7012 4.1780 4.1780 5.8623 5.8623 5.9608 5.9608 6.3261 6.3261 7.3277 7.3277 14.3814 14.3814 16.1612 16.1612 18.8649 18.8649 19.7732 19.7732 k = 0.5876 0.1747-0.4332 ( 4198 PWs) bands (ev): -35.3660 -35.3660 -10.1002 -10.1002 -9.2472 -9.2472 -5.2470 -5.2470 -5.0399 -5.0399 -4.8273 -4.8273 -4.6793 -4.6793 -4.4641 -4.4641 2.7590 2.7590 4.2658 4.2658 5.8996 5.8996 5.9761 5.9761 6.3200 6.3200 7.3335 7.3335 14.3488 14.3488 16.1865 16.1865 18.8522 18.8522 19.7612 19.7612 k = 0.5849 0.1739-0.4173 ( 4200 PWs) bands (ev): -35.3666 -35.3666 -10.1379 -10.1379 -9.2478 -9.2478 -5.2475 -5.2475 -5.0477 -5.0477 -4.8283 -4.8283 -4.6828 -4.6828 -4.4820 -4.4820 2.8155 2.8155 4.3540 4.3540 5.9370 5.9370 5.9912 5.9912 6.3177 6.3177 7.3391 7.3391 14.3120 14.3120 16.2049 16.2049 18.8478 18.8478 19.7520 19.7520 k = 0.5823 0.1732-0.4014 ( 4198 PWs) bands (ev): -35.3672 -35.3672 -10.1753 -10.1753 -9.2483 -9.2483 -5.2481 -5.2481 -5.0557 -5.0557 -4.8293 -4.8293 -4.6862 -4.6862 -4.4993 -4.4993 2.8706 2.8706 4.4425 4.4425 5.9735 5.9735 6.0064 6.0064 6.3200 6.3200 7.3444 7.3444 14.2710 14.2710 16.2154 16.2154 18.8525 18.8525 19.7460 19.7460 k = 0.5796 0.1724-0.3855 ( 4200 PWs) bands (ev): -35.3679 -35.3679 -10.2123 -10.2123 -9.2488 -9.2488 -5.2490 -5.2490 -5.0640 -5.0640 -4.8305 -4.8305 -4.6894 -4.6894 -4.5158 -4.5158 2.9239 2.9239 4.5311 4.5311 6.0032 6.0032 6.0273 6.0273 6.3274 6.3274 7.3494 7.3494 14.2260 14.2260 16.2174 16.2174 18.8672 18.8672 19.7431 19.7431 k = 0.5769 0.1716-0.3697 ( 4203 PWs) bands (ev): -35.3685 -35.3685 -10.2489 -10.2489 -9.2493 -9.2493 -5.2500 -5.2500 -5.0724 -5.0724 -4.8318 -4.8318 -4.6925 -4.6925 -4.5316 -4.5316 2.9752 2.9752 4.6196 4.6196 6.0186 6.0186 6.0608 6.0608 6.3405 6.3405 7.3542 7.3542 14.1771 14.1771 16.2105 16.2105 18.8924 18.8924 19.7434 19.7434 k = 0.5743 0.1708-0.3538 ( 4209 PWs) bands (ev): -35.3691 -35.3691 -10.2849 -10.2849 -9.2498 -9.2498 -5.2512 -5.2512 -5.0810 -5.0810 -4.8334 -4.8334 -4.6953 -4.6953 -4.5465 -4.5465 3.0243 3.0243 4.7077 4.7077 6.0274 6.0274 6.0991 6.0991 6.3593 6.3593 7.3585 7.3585 14.1245 14.1245 16.1946 16.1946 18.9284 18.9284 19.7470 19.7470 k = 0.5716 0.1700-0.3379 ( 4209 PWs) bands (ev): -35.3697 -35.3697 -10.3202 -10.3202 -9.2503 -9.2503 -5.2526 -5.2526 -5.0896 -5.0896 -4.8352 -4.8352 -4.6980 -4.6980 -4.5607 -4.5607 3.0711 3.0711 4.7952 4.7952 6.0337 6.0337 6.1385 6.1385 6.3838 6.3838 7.3625 7.3625 14.0683 14.0683 16.1697 16.1697 18.9751 18.9751 19.7538 19.7538 k = 0.5690 0.1692-0.3220 ( 4206 PWs) bands (ev): -35.3703 -35.3703 -10.3548 -10.3548 -9.2508 -9.2508 -5.2542 -5.2542 -5.0982 -5.0982 -4.8373 -4.8373 -4.7005 -4.7005 -4.5740 -4.5740 3.1154 3.1154 4.8818 4.8818 6.0385 6.0385 6.1783 6.1783 6.4134 6.4134 7.3660 7.3660 14.0088 14.0088 16.1363 16.1363 19.0322 19.0322 19.7637 19.7637 k = 0.5663 0.1684-0.3061 ( 4209 PWs) bands (ev): -35.3709 -35.3709 -10.3887 -10.3887 -9.2513 -9.2513 -5.2561 -5.2561 -5.1068 -5.1068 -4.8397 -4.8397 -4.7027 -4.7027 -4.5864 -4.5864 3.1571 3.1571 4.9670 4.9670 6.0428 6.0428 6.2184 6.2184 6.4476 6.4476 7.3691 7.3691 13.9463 13.9463 16.0951 16.0951 19.0991 19.0991 19.7766 19.7766 k = 0.5637 0.1676-0.2903 ( 4201 PWs) bands (ev): -35.3715 -35.3715 -10.4217 -10.4217 -9.2518 -9.2518 -5.2581 -5.2581 -5.1152 -5.1152 -4.8424 -4.8424 -4.7047 -4.7047 -4.5979 -4.5979 3.1962 3.1962 5.0503 5.0503 6.0476 6.0476 6.2585 6.2585 6.4857 6.4857 7.3717 7.3717 13.8811 13.8811 16.0468 16.0468 19.1750 19.1750 19.7925 19.7925 k = 0.5610 0.1668-0.2744 ( 4200 PWs) bands (ev): -35.3721 -35.3721 -10.4538 -10.4538 -9.2522 -9.2522 -5.2603 -5.2603 -5.1235 -5.1235 -4.8454 -4.8454 -4.7065 -4.7065 -4.6085 -4.6085 3.2325 3.2325 5.1312 5.1312 6.0537 6.0537 6.2985 6.2985 6.5271 6.5271 7.3738 7.3738 13.8135 13.8135 15.9923 15.9923 19.2586 19.2586 19.8115 19.8115 k = 0.5584 0.1661-0.2585 ( 4204 PWs) bands (ev): -35.3727 -35.3727 -10.4850 -10.4850 -9.2527 -9.2527 -5.2627 -5.2627 -5.1317 -5.1317 -4.8488 -4.8488 -4.7080 -4.7080 -4.6183 -4.6183 3.2663 3.2663 5.2086 5.2086 6.0624 6.0624 6.3384 6.3384 6.5713 6.5713 7.3752 7.3752 13.7439 13.7439 15.9325 15.9325 19.3486 19.3486 19.8341 19.8341 k = 0.5557 0.1653-0.2426 ( 4204 PWs) bands (ev): -35.3732 -35.3732 -10.5151 -10.5151 -9.2532 -9.2532 -5.2654 -5.2654 -5.1395 -5.1395 -4.8524 -4.8524 -4.7094 -4.7094 -4.6272 -4.6272 3.2974 3.2974 5.2818 5.2818 6.0745 6.0745 6.3780 6.3780 6.6175 6.6175 7.3761 7.3761 13.6728 13.6728 15.8684 15.8684 19.4430 19.4430 19.8610 19.8610 k = 0.5531 0.1645-0.2267 ( 4210 PWs) bands (ev): -35.3738 -35.3738 -10.5442 -10.5442 -9.2536 -9.2536 -5.2682 -5.2682 -5.1471 -5.1471 -4.8563 -4.8563 -4.7105 -4.7105 -4.6352 -4.6352 3.3259 3.3259 5.3496 5.3496 6.0913 6.0913 6.4173 6.4173 6.6654 6.6654 7.3764 7.3764 13.6004 13.6004 15.8009 15.8009 19.5387 19.5387 19.8942 19.8942 k = 0.5504 0.1637-0.2108 ( 4204 PWs) bands (ev): -35.3743 -35.3743 -10.5721 -10.5721 -9.2540 -9.2540 -5.2711 -5.2711 -5.1544 -5.1544 -4.8604 -4.8604 -4.7114 -4.7114 -4.6425 -4.6425 3.3520 3.3520 5.4109 5.4109 6.1139 6.1139 6.4561 6.4561 6.7142 6.7142 7.3760 7.3760 13.5272 13.5272 15.7310 15.7310 19.6312 19.6312 19.9370 19.9370 k = 0.5478 0.1629-0.1950 ( 4206 PWs) bands (ev): -35.3748 -35.3748 -10.5989 -10.5989 -9.2545 -9.2545 -5.2743 -5.2743 -5.1613 -5.1613 -4.8647 -4.8647 -4.7122 -4.7122 -4.6491 -4.6491 3.3757 3.3757 5.4646 5.4646 6.1432 6.1432 6.4944 6.4944 6.7636 6.7636 7.3750 7.3750 13.4536 13.4536 15.6594 15.6594 19.7138 19.7138 19.9951 19.9951 k = 0.5451 0.1621-0.1791 ( 4206 PWs) bands (ev): -35.3753 -35.3753 -10.6245 -10.6245 -9.2549 -9.2549 -5.2775 -5.2775 -5.1679 -5.1679 -4.8691 -4.8691 -4.7128 -4.7128 -4.6549 -4.6549 3.3972 3.3972 5.5101 5.5101 6.1798 6.1798 6.5320 6.5320 6.8131 6.8131 7.3732 7.3732 13.3802 13.3802 15.5870 15.5870 19.7805 19.7805 20.0733 20.0733 k = 0.5425 0.1613-0.1632 ( 4210 PWs) bands (ev): -35.3757 -35.3757 -10.6488 -10.6488 -9.2553 -9.2553 -5.2809 -5.2809 -5.1740 -5.1740 -4.8735 -4.8735 -4.7134 -4.7134 -4.6600 -4.6600 3.4165 3.4165 5.5473 5.5473 6.2235 6.2235 6.5690 6.5690 6.8620 6.8620 7.3708 7.3708 13.3072 13.3072 15.5145 15.5145 19.8311 19.8311 20.1707 20.1707 k = 0.5398 0.1605-0.1473 ( 4204 PWs) bands (ev): -35.3762 -35.3762 -10.6718 -10.6718 -9.2557 -9.2557 -5.2844 -5.2844 -5.1798 -5.1798 -4.8779 -4.8779 -4.7138 -4.7138 -4.6646 -4.6646 3.4339 3.4339 5.5767 5.5767 6.2735 6.2735 6.6051 6.6051 6.9101 6.9101 7.3677 7.3677 13.2353 13.2353 15.4426 15.4426 19.8701 19.8701 20.2819 20.2819 k = 0.5371 0.1597-0.1314 ( 4202 PWs) bands (ev): -35.3766 -35.3766 -10.6935 -10.6935 -9.2561 -9.2561 -5.2879 -5.2879 -5.1851 -5.1851 -4.8823 -4.8823 -4.7142 -4.7142 -4.6686 -4.6686 3.4494 3.4494 5.5993 5.5993 6.3287 6.3287 6.6403 6.6403 6.9567 6.9567 7.3638 7.3638 13.1648 13.1648 15.3720 15.3720 19.9018 19.9018 20.4014 20.4014 k = 0.5345 0.1590-0.1156 ( 4204 PWs) bands (ev): -35.3770 -35.3770 -10.7139 -10.7139 -9.2564 -9.2564 -5.2914 -5.2914 -5.1900 -5.1900 -4.8865 -4.8865 -4.7145 -4.7145 -4.6720 -4.6720 3.4631 3.4631 5.6162 5.6162 6.3876 6.3876 6.6745 6.6745 7.0015 7.0015 7.3593 7.3593 13.0962 13.0962 15.3033 15.3033 19.9289 19.9289 20.5254 20.5254 k = 0.5318 0.1582-0.0997 ( 4202 PWs) bands (ev): -35.3773 -35.3773 -10.7328 -10.7328 -9.2568 -9.2568 -5.2948 -5.2948 -5.1944 -5.1944 -4.8906 -4.8906 -4.7148 -4.7148 -4.6750 -4.6750 3.4754 3.4754 5.6285 5.6285 6.4486 6.4486 6.7076 6.7076 7.0439 7.0439 7.3541 7.3541 13.0301 13.0301 15.2370 15.2370 19.9528 19.9528 20.6513 20.6513 k = 0.5292 0.1574-0.0838 ( 4203 PWs) bands (ev): -35.3777 -35.3777 -10.7504 -10.7504 -9.2571 -9.2571 -5.2982 -5.2982 -5.1985 -5.1985 -4.8945 -4.8945 -4.7151 -4.7151 -4.6775 -4.6775 3.4861 3.4861 5.6374 5.6374 6.5104 6.5104 6.7395 6.7395 7.0837 7.0837 7.3483 7.3483 12.9670 12.9670 15.1739 15.1739 19.9742 19.9742 20.7772 20.7772 k = 0.5265 0.1566-0.0679 ( 4211 PWs) bands (ev): -35.3780 -35.3780 -10.7665 -10.7665 -9.2574 -9.2574 -5.3015 -5.3015 -5.2021 -5.2021 -4.8982 -4.8982 -4.7154 -4.7154 -4.6796 -4.6796 3.4955 3.4955 5.6437 5.6437 6.5715 6.5715 6.7700 6.7700 7.1204 7.1204 7.3420 7.3420 12.9072 12.9072 15.1143 15.1143 19.9936 19.9936 20.9016 20.9016 k = 0.5239 0.1558-0.0520 ( 4205 PWs) bands (ev): -35.3783 -35.3783 -10.7811 -10.7811 -9.2577 -9.2577 -5.3046 -5.3046 -5.2054 -5.2054 -4.9016 -4.9016 -4.7157 -4.7157 -4.6813 -4.6813 3.5037 3.5037 5.6479 5.6479 6.6310 6.6310 6.7990 6.7990 7.1537 7.1537 7.3352 7.3352 12.8514 12.8514 15.0587 15.0587 20.0110 20.0110 21.0228 21.0228 k = 0.5212 0.1550-0.0361 ( 4206 PWs) bands (ev): -35.3785 -35.3785 -10.7943 -10.7943 -9.2579 -9.2579 -5.3075 -5.3075 -5.2082 -5.2082 -4.9047 -4.9047 -4.7160 -4.7160 -4.6828 -4.6828 3.5107 3.5107 5.6508 5.6508 6.6877 6.6877 6.8263 6.8263 7.1833 7.1833 7.3280 7.3280 12.7999 12.7999 15.0077 15.0077 20.0266 20.0266 21.1395 21.1395 k = 0.5186 0.1542-0.0203 ( 4212 PWs) bands (ev): -35.3788 -35.3788 -10.8059 -10.8059 -9.2581 -9.2581 -5.3101 -5.3101 -5.2107 -5.2107 -4.9075 -4.9075 -4.7162 -4.7162 -4.6840 -4.6840 3.5167 3.5167 5.6526 5.6526 6.7405 6.7405 6.8518 6.8518 7.2091 7.2091 7.3207 7.3207 12.7532 12.7532 14.9616 14.9616 20.0404 20.0404 21.2500 21.2500 k = 0.5159 0.1534-0.0044 ( 4216 PWs) bands (ev): -35.3790 -35.3790 -10.8160 -10.8160 -9.2583 -9.2583 -5.3124 -5.3124 -5.2129 -5.2129 -4.9100 -4.9100 -4.7165 -4.7165 -4.6849 -4.6849 3.5218 3.5218 5.6537 5.6537 6.7885 6.7885 6.8754 6.8754 7.2309 7.2309 7.3134 7.3134 12.7118 12.7118 14.9208 14.9208 20.0524 20.0524 21.3527 21.3527 k = 0.5133 0.1526 0.0115 ( 4214 PWs) bands (ev): -35.3791 -35.3791 -10.8246 -10.8246 -9.2585 -9.2585 -5.3145 -5.3145 -5.2147 -5.2147 -4.9121 -4.9121 -4.7167 -4.7167 -4.6856 -4.6856 3.5259 3.5259 5.6542 5.6542 6.8305 6.8305 6.8969 6.8969 7.2488 7.2488 7.3064 7.3064 12.6760 12.6760 14.8857 14.8857 20.0626 20.0626 21.4459 21.4459 k = 0.5106 0.1519 0.0274 ( 4220 PWs) bands (ev): -35.3793 -35.3793 -10.8317 -10.8317 -9.2586 -9.2586 -5.3162 -5.3162 -5.2162 -5.2162 -4.9138 -4.9138 -4.7170 -4.7170 -4.6862 -4.6862 3.5292 3.5292 5.6545 5.6545 6.8655 6.8655 6.9164 6.9164 7.2627 7.2627 7.3001 7.3001 12.6463 12.6463 14.8566 14.8566 20.0710 20.0710 21.5272 21.5272 k = 0.5080 0.1511 0.0433 ( 4214 PWs) bands (ev): -35.3794 -35.3794 -10.8372 -10.8372 -9.2588 -9.2588 -5.3175 -5.3175 -5.2173 -5.2173 -4.9152 -4.9152 -4.7171 -4.7171 -4.6866 -4.6866 3.5318 3.5318 5.6546 5.6546 6.8923 6.8923 6.9337 6.9337 7.2727 7.2727 7.2949 7.2949 12.6228 12.6228 14.8336 14.8336 20.0775 20.0775 21.5938 21.5938 k = 0.5053 0.1503 0.0592 ( 4208 PWs) bands (ev): -35.3795 -35.3795 -10.8411 -10.8411 -9.2588 -9.2588 -5.3185 -5.3185 -5.2181 -5.2181 -4.9162 -4.9162 -4.7173 -4.7173 -4.6868 -4.6868 3.5335 3.5335 5.6546 5.6546 6.9106 6.9106 6.9479 6.9479 7.2789 7.2789 7.2915 7.2915 12.6058 12.6058 14.8171 14.8171 20.0822 20.0822 21.6423 21.6423 k = 0.5027 0.1495 0.0750 ( 4202 PWs) bands (ev): -35.3795 -35.3795 -10.8434 -10.8434 -9.2589 -9.2589 -5.3191 -5.3191 -5.2186 -5.2186 -4.9168 -4.9168 -4.7173 -4.7173 -4.6870 -4.6870 3.5346 3.5346 5.6546 5.6546 6.9209 6.9209 6.9576 6.9576 7.2812 7.2812 7.2906 7.2906 12.5955 12.5955 14.8071 14.8071 20.0850 20.0850 21.6706 21.6706 k = 0.5000 0.1487 0.0909 ( 4194 PWs) bands (ev): -35.3795 -35.3795 -10.8442 -10.8442 -9.2589 -9.2589 -5.3193 -5.3193 -5.2187 -5.2187 -4.9170 -4.9170 -4.7174 -4.7174 -4.6870 -4.6870 3.5349 3.5349 5.6546 5.6546 6.9242 6.9242 6.9610 6.9610 7.2814 7.2814 7.2908 7.2908 12.5921 12.5921 14.8038 14.8038 20.0859 20.0859 21.6796 21.6796 k = 0.5000-0.7663-0.4685 ( 4216 PWs) bands (ev): -35.3545 -35.3545 -9.4392 -9.4392 -9.1204 -9.1204 -5.2723 -5.2723 -4.9785 -4.9785 -4.7815 -4.7815 -4.5998 -4.5998 -4.0200 -4.0200 1.7559 1.7559 2.9498 2.9498 5.3615 5.3615 5.4391 5.4391 6.0732 6.0732 6.9527 6.9527 14.4299 14.4299 16.9147 16.9147 18.3548 18.3548 20.0552 20.0552 k = 0.5136-0.7598-0.4646 ( 4216 PWs) bands (ev): -35.3545 -35.3545 -9.4390 -9.4390 -9.1206 -9.1206 -5.2723 -5.2723 -4.9785 -4.9785 -4.7815 -4.7815 -4.5998 -4.5998 -4.0200 -4.0200 1.7554 1.7554 2.9486 2.9486 5.3619 5.3619 5.4387 5.4387 6.0757 6.0757 6.9535 6.9535 14.4298 14.4298 16.9054 16.9054 18.3636 18.3636 20.0529 20.0529 k = 0.5272-0.7534-0.4606 ( 4224 PWs) bands (ev): -35.3545 -35.3545 -9.4386 -9.4386 -9.1212 -9.1212 -5.2723 -5.2723 -4.9785 -4.9785 -4.7814 -4.7814 -4.5998 -4.5998 -4.0198 -4.0198 1.7540 1.7540 2.9450 2.9450 5.3631 5.3631 5.4373 5.4373 6.0833 6.0833 6.9558 6.9558 14.4296 14.4296 16.8782 16.8782 18.3894 18.3894 20.0460 20.0460 k = 0.5408-0.7469-0.4567 ( 4225 PWs) bands (ev): -35.3545 -35.3545 -9.4378 -9.4378 -9.1221 -9.1221 -5.2722 -5.2722 -4.9785 -4.9785 -4.7813 -4.7813 -4.5998 -4.5998 -4.0195 -4.0195 1.7517 1.7517 2.9392 2.9392 5.3651 5.3651 5.4352 5.4352 6.0959 6.0959 6.9595 6.9595 14.4291 14.4291 16.8350 16.8350 18.4300 18.4300 20.0353 20.0353 k = 0.5544-0.7404-0.4527 ( 4231 PWs) bands (ev): -35.3545 -35.3545 -9.4368 -9.4368 -9.1234 -9.1234 -5.2722 -5.2722 -4.9784 -4.9784 -4.7812 -4.7812 -4.5998 -4.5998 -4.0192 -4.0192 1.7484 1.7484 2.9310 2.9310 5.3678 5.3678 5.4324 5.4324 6.1132 6.1132 6.9646 6.9646 14.4285 14.4285 16.7784 16.7784 18.4831 18.4831 20.0216 20.0216 k = 0.5681-0.7340-0.4488 ( 4230 PWs) bands (ev): -35.3545 -35.3545 -9.4355 -9.4355 -9.1251 -9.1251 -5.2721 -5.2721 -4.9783 -4.9783 -4.7811 -4.7811 -4.5998 -4.5998 -4.0187 -4.0187 1.7443 1.7443 2.9207 2.9207 5.3710 5.3710 5.4292 5.4292 6.1349 6.1349 6.9712 6.9712 14.4278 14.4278 16.7110 16.7110 18.5457 18.5457 20.0054 20.0054 k = 0.5817-0.7275-0.4448 ( 4230 PWs) bands (ev): -35.3545 -35.3545 -9.4339 -9.4339 -9.1272 -9.1272 -5.2720 -5.2720 -4.9782 -4.9782 -4.7809 -4.7809 -4.5998 -4.5998 -4.0181 -4.0181 1.7395 1.7395 2.9084 2.9084 5.3745 5.3745 5.4259 5.4259 6.1609 6.1609 6.9790 6.9790 14.4269 14.4269 16.6354 16.6354 18.6155 18.6155 19.9875 19.9875 k = 0.5953-0.7210-0.4409 ( 4227 PWs) bands (ev): -35.3545 -35.3545 -9.4320 -9.4320 -9.1296 -9.1296 -5.2719 -5.2719 -4.9781 -4.9781 -4.7807 -4.7807 -4.5997 -4.5997 -4.0175 -4.0175 1.7339 1.7339 2.8941 2.8941 5.3776 5.3776 5.4235 5.4235 6.1907 6.1907 6.9880 6.9880 14.4259 14.4259 16.5535 16.5535 18.6902 18.6902 19.9683 19.9683 k = 0.6089-0.7146-0.4369 ( 4229 PWs) bands (ev): -35.3545 -35.3545 -9.4299 -9.4299 -9.1323 -9.1323 -5.2718 -5.2718 -4.9779 -4.9779 -4.7805 -4.7805 -4.5997 -4.5997 -4.0167 -4.0167 1.7277 1.7277 2.8781 2.8781 5.3792 5.3792 5.4231 5.4231 6.2240 6.2240 6.9980 6.9980 14.4247 14.4247 16.4672 16.4672 18.7681 18.7681 19.9482 19.9482 k = 0.6225-0.7081-0.4329 ( 4227 PWs) bands (ev): -35.3545 -35.3545 -9.4275 -9.4275 -9.1354 -9.1354 -5.2717 -5.2717 -4.9778 -4.9778 -4.7803 -4.7803 -4.5997 -4.5997 -4.0159 -4.0159 1.7209 1.7209 2.8606 2.8606 5.3781 5.3781 5.4258 5.4258 6.2605 6.2605 7.0091 7.0091 14.4234 14.4234 16.3776 16.3776 18.8476 18.8476 19.9275 19.9275 k = 0.6361-0.7016-0.4290 ( 4228 PWs) bands (ev): -35.3545 -35.3545 -9.4249 -9.4249 -9.1388 -9.1388 -5.2715 -5.2715 -4.9776 -4.9776 -4.7801 -4.7801 -4.5997 -4.5997 -4.0149 -4.0149 1.7137 1.7137 2.8416 2.8416 5.3741 5.3741 5.4320 5.4320 6.2998 6.2998 7.0210 7.0210 14.4221 14.4221 16.2860 16.2860 18.9275 18.9275 19.9066 19.9066 k = 0.6497-0.6952-0.4250 ( 4226 PWs) bands (ev): -35.3545 -35.3545 -9.4220 -9.4220 -9.1425 -9.1425 -5.2714 -5.2714 -4.9774 -4.9774 -4.7798 -4.7798 -4.5996 -4.5996 -4.0139 -4.0139 1.7062 1.7062 2.8215 2.8215 5.3681 5.3681 5.4408 5.4408 6.3415 6.3415 7.0337 7.0337 14.4206 14.4206 16.1932 16.1932 19.0066 19.0066 19.8857 19.8857 k = 0.6633-0.6887-0.4211 ( 4224 PWs) bands (ev): -35.3545 -35.3545 -9.4189 -9.4189 -9.1465 -9.1465 -5.2712 -5.2712 -4.9772 -4.9772 -4.7795 -4.7795 -4.5996 -4.5996 -4.0128 -4.0128 1.6984 1.6984 2.8003 2.8003 5.3608 5.3608 5.4516 5.4516 6.3852 6.3852 7.0470 7.0470 14.4192 14.4192 16.0999 16.0999 19.0840 19.0840 19.8654 19.8654 k = 0.6770-0.6822-0.4171 ( 4220 PWs) bands (ev): -35.3546 -35.3546 -9.4157 -9.4157 -9.1508 -9.1508 -5.2710 -5.2710 -4.9770 -4.9770 -4.7792 -4.7792 -4.5996 -4.5996 -4.0117 -4.0117 1.6904 1.6904 2.7783 2.7783 5.3526 5.3526 5.4637 5.4637 6.4307 6.4307 7.0608 7.0608 14.4177 14.4177 16.0067 16.0067 19.1584 19.1584 19.8461 19.8461 k = 0.6906-0.6758-0.4132 ( 4218 PWs) bands (ev): -35.3546 -35.3546 -9.4122 -9.4122 -9.1553 -9.1553 -5.2709 -5.2709 -4.9768 -4.9768 -4.7790 -4.7790 -4.5996 -4.5996 -4.0104 -4.0104 1.6824 1.6824 2.7557 2.7557 5.3439 5.3439 5.4768 5.4768 6.4776 6.4776 7.0749 7.0749 14.4162 14.4162 15.9143 15.9143 19.2287 19.2287 19.8286 19.8286 k = 0.7042-0.6693-0.4092 ( 4212 PWs) bands (ev): -35.3546 -35.3546 -9.4087 -9.4087 -9.1600 -9.1600 -5.2707 -5.2707 -4.9766 -4.9766 -4.7787 -4.7787 -4.5996 -4.5996 -4.0092 -4.0092 1.6745 1.6745 2.7327 2.7327 5.3349 5.3349 5.4906 5.4906 6.5255 6.5255 7.0892 7.0892 14.4147 14.4147 15.8230 15.8230 19.2937 19.2937 19.8139 19.8139 k = 0.7178-0.6628-0.4053 ( 4212 PWs) bands (ev): -35.3546 -35.3546 -9.4050 -9.4050 -9.1649 -9.1649 -5.2705 -5.2705 -4.9764 -4.9764 -4.7784 -4.7784 -4.5996 -4.5996 -4.0079 -4.0079 1.6667 1.6667 2.7095 2.7095 5.3258 5.3258 5.5048 5.5048 6.5742 6.5742 7.1036 7.1036 14.4133 14.4133 15.7333 15.7333 19.3514 19.3514 19.8034 19.8034 k = 0.7314-0.6564-0.4013 ( 4213 PWs) bands (ev): -35.3546 -35.3546 -9.4012 -9.4012 -9.1700 -9.1700 -5.2703 -5.2703 -4.9761 -4.9761 -4.7781 -4.7781 -4.5996 -4.5996 -4.0065 -4.0065 1.6592 1.6592 2.6862 2.6862 5.3167 5.3167 5.5191 5.5191 6.6232 6.6232 7.1181 7.1181 14.4119 14.4119 15.6456 15.6456 19.3998 19.3998 19.7991 19.7991 k = 0.7450-0.6499-0.3974 ( 4210 PWs) bands (ev): -35.3546 -35.3546 -9.3974 -9.3974 -9.1752 -9.1752 -5.2701 -5.2701 -4.9759 -4.9759 -4.7778 -4.7778 -4.5996 -4.5996 -4.0052 -4.0052 1.6520 1.6520 2.6630 2.6630 5.3077 5.3077 5.5334 5.5334 6.6724 6.6724 7.1323 7.1323 14.4107 14.4107 15.5602 15.5602 19.4369 19.4369 19.8028 19.8028 k = 0.7586-0.6435-0.3934 ( 4206 PWs) bands (ev): -35.3546 -35.3546 -9.3935 -9.3935 -9.1805 -9.1805 -5.2699 -5.2699 -4.9757 -4.9757 -4.7776 -4.7776 -4.5996 -4.5996 -4.0038 -4.0038 1.6452 1.6452 2.6401 2.6401 5.2990 5.2990 5.5475 5.5475 6.7214 6.7214 7.1464 7.1464 14.4095 14.4095 15.4774 15.4774 19.4613 19.4613 19.8158 19.8158 k = 0.7722-0.6370-0.3895 ( 4206 PWs) bands (ev): -35.3546 -35.3546 -9.3897 -9.3897 -9.1858 -9.1858 -5.2697 -5.2697 -4.9754 -4.9754 -4.7774 -4.7774 -4.5997 -4.5997 -4.0024 -4.0024 1.6390 1.6390 2.6177 2.6177 5.2906 5.2906 5.5610 5.5610 6.7699 6.7699 7.1600 7.1600 14.4085 14.4085 15.3978 15.3978 19.4735 19.4735 19.8374 19.8374 k = 0.7859-0.6305-0.3855 ( 4210 PWs) bands (ev): -35.3547 -35.3547 -9.3861 -9.3861 -9.1911 -9.1911 -5.2695 -5.2695 -4.9752 -4.9752 -4.7771 -4.7771 -4.5997 -4.5997 -4.0011 -4.0011 1.6334 1.6334 2.5959 2.5959 5.2826 5.2826 5.5738 5.5738 6.8177 6.8177 7.1732 7.1732 14.4075 14.4075 15.3215 15.3215 19.4761 19.4761 19.8652 19.8652 k = 0.7995-0.6241-0.3816 ( 4208 PWs) bands (ev): -35.3547 -35.3547 -9.3825 -9.3825 -9.1962 -9.1962 -5.2693 -5.2693 -4.9750 -4.9750 -4.7770 -4.7770 -4.5998 -4.5998 -3.9997 -3.9997 1.6284 1.6284 2.5749 2.5749 5.2750 5.2750 5.5858 5.5858 6.8644 6.8644 7.1859 7.1859 14.4066 14.4066 15.2490 15.2490 19.4717 19.4717 19.8964 19.8964 k = 0.8131-0.6176-0.3776 ( 4208 PWs) bands (ev): -35.3547 -35.3547 -9.3793 -9.3793 -9.2012 -9.2012 -5.2691 -5.2691 -4.9747 -4.9747 -4.7768 -4.7768 -4.5999 -4.5999 -3.9984 -3.9984 1.6242 1.6242 2.5548 2.5548 5.2679 5.2679 5.5966 5.5966 6.9098 6.9098 7.1979 7.1979 14.4058 14.4058 15.1806 15.1806 19.4631 19.4631 19.9286 19.9286 Writing output data file LiGaO2.save init_run : 0.24s CPU 0.43s WALL ( 1 calls) electrons : 161.46s CPU 163.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 161.45s CPU 163.57s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 418 calls) cegterg : 144.43s CPU 146.01s WALL ( 464 calls) Called by sum_band: Called by *egterg: h_psi : 117.76s CPU 119.14s WALL ( 8281 calls) s_psi : 1.69s CPU 1.65s WALL ( 8281 calls) g_psi : 0.22s CPU 0.18s WALL ( 7399 calls) cdiaghg : 30.62s CPU 31.32s WALL ( 7817 calls) cegterg:over : 3.32s CPU 3.27s WALL ( 7399 calls) cegterg:upda : 2.62s CPU 2.61s WALL ( 7399 calls) cegterg:last : 1.87s CPU 1.71s WALL ( 1300 calls) cdiaghg:chol : 1.54s CPU 1.71s WALL ( 7817 calls) cdiaghg:inve : 0.83s CPU 0.79s WALL ( 7817 calls) cdiaghg:para : 1.68s CPU 1.85s WALL ( 15634 calls) Called by h_psi: h_psi:vloc : 113.43s CPU 114.73s WALL ( 8281 calls) h_psi:vnl : 4.18s CPU 4.26s WALL ( 8281 calls) add_vuspsi : 1.90s CPU 2.03s WALL ( 8281 calls) General routines calbec : 2.26s CPU 2.22s WALL ( 8281 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 107.34s CPU 108.62s WALL ( 598352 calls) davcio : 0.19s CPU 0.20s WALL ( 836 calls) Parallel routines fft_scatter : 25.48s CPU 26.21s WALL ( 598367 calls) PWSCF : 2m57.04s CPU 3m25.41s WALL This run was terminated on: 18:56: 3 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=