Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:33:35 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: ./TlBiS2.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 109 43 12 3289 831 131 Max 110 44 13 3292 854 134 Sum 3937 1581 461 118443 30263 4773 bravais-lattice index = 14 lattice parameter (alat) = 14.4867 a.u. unit-cell volume = 717.6790 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.486739 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.856695 celldm(5)= 0.856695 celldm(6)= 0.856695 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.856695 0.515824 0.000000 ) a(3) = ( 0.856695 0.238005 0.457633 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.660828 -1.008251 ) b(2) = ( 0.000000 1.938646 -1.008251 ) b(3) = ( 0.000000 0.000000 2.185159 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 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 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 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 S 6.00 32.06500 S( 1.00) Tl 13.00 204.38330 Tl( 1.00) Bi 15.00 208.98040 Bi( 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= 297 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0111111 -0.0184536 -0.0112028), wk = 0.0033670 k( 3) = ( 0.0222222 -0.0369073 -0.0224056), wk = 0.0033670 k( 4) = ( 0.0333333 -0.0553609 -0.0336084), wk = 0.0033670 k( 5) = ( 0.0444444 -0.0738146 -0.0448111), wk = 0.0033670 k( 6) = ( 0.0555556 -0.0922682 -0.0560139), wk = 0.0033670 k( 7) = ( 0.0666667 -0.1107219 -0.0672167), wk = 0.0033670 k( 8) = ( 0.0777778 -0.1291755 -0.0784195), wk = 0.0033670 k( 9) = ( 0.0888889 -0.1476292 -0.0896223), wk = 0.0033670 k( 10) = ( 0.1000000 -0.1660828 -0.1008251), wk = 0.0033670 k( 11) = ( 0.1111111 -0.1845365 -0.1120279), wk = 0.0033670 k( 12) = ( 0.1222222 -0.2029901 -0.1232307), wk = 0.0033670 k( 13) = ( 0.1333333 -0.2214438 -0.1344335), wk = 0.0033670 k( 14) = ( 0.1444444 -0.2398974 -0.1456362), wk = 0.0033670 k( 15) = ( 0.1555556 -0.2583511 -0.1568390), wk = 0.0033670 k( 16) = ( 0.1666667 -0.2768047 -0.1680418), wk = 0.0033670 k( 17) = ( 0.1777778 -0.2952583 -0.1792446), wk = 0.0033670 k( 18) = ( 0.1888889 -0.3137120 -0.1904474), wk = 0.0033670 k( 19) = ( 0.2000000 -0.3321656 -0.2016502), wk = 0.0033670 k( 20) = ( 0.2111111 -0.3506193 -0.2128530), wk = 0.0033670 k( 21) = ( 0.2222222 -0.3690729 -0.2240558), wk = 0.0033670 k( 22) = ( 0.2333333 -0.3875266 -0.2352586), wk = 0.0033670 k( 23) = ( 0.2444444 -0.4059802 -0.2464613), wk = 0.0033670 k( 24) = ( 0.2555556 -0.4244339 -0.2576641), wk = 0.0033670 k( 25) = ( 0.2666667 -0.4428875 -0.2688669), wk = 0.0033670 k( 26) = ( 0.2777778 -0.4613412 -0.2800697), wk = 0.0033670 k( 27) = ( 0.2888889 -0.4797948 -0.2912725), wk = 0.0033670 k( 28) = ( 0.3000000 -0.4982485 -0.3024753), wk = 0.0033670 k( 29) = ( 0.3111111 -0.5167021 -0.3136781), wk = 0.0033670 k( 30) = ( 0.3222222 -0.5351557 -0.3248809), wk = 0.0033670 k( 31) = ( 0.3333333 -0.5536094 -0.3360836), wk = 0.0033670 k( 32) = ( 0.3444444 -0.5720630 -0.3472864), wk = 0.0033670 k( 33) = ( 0.3555556 -0.5905167 -0.3584892), wk = 0.0033670 k( 34) = ( 0.3666667 -0.6089703 -0.3696920), wk = 0.0033670 k( 35) = ( 0.3777778 -0.6274240 -0.3808948), wk = 0.0033670 k( 36) = ( 0.3888889 -0.6458776 -0.3920976), wk = 0.0033670 k( 37) = ( 0.4000000 -0.6643313 -0.4033004), wk = 0.0033670 k( 38) = ( 0.4111111 -0.6827849 -0.4145032), wk = 0.0033670 k( 39) = ( 0.4222222 -0.7012386 -0.4257060), wk = 0.0033670 k( 40) = ( 0.4333333 -0.7196922 -0.4369087), wk = 0.0033670 k( 41) = ( 0.4444444 -0.7381458 -0.4481115), wk = 0.0033670 k( 42) = ( 0.4555556 -0.7565995 -0.4593143), wk = 0.0033670 k( 43) = ( 0.4666667 -0.7750532 -0.4705171), wk = 0.0033670 k( 44) = ( 0.4777778 -0.7935068 -0.4817199), wk = 0.0033670 k( 45) = ( 0.4888889 -0.8119604 -0.4929227), wk = 0.0033670 k( 46) = ( 0.5000000 -0.8304141 -0.5041255), wk = 0.0033670 k( 47) = ( 0.5000000 -0.8304141 -0.5041255), wk = 0.0033670 k( 48) = ( 0.5000000 -0.8180956 -0.5244170), wk = 0.0033670 k( 49) = ( 0.5000000 -0.8057770 -0.5447085), wk = 0.0033670 k( 50) = ( 0.5000000 -0.7934585 -0.5650000), wk = 0.0033670 k( 51) = ( 0.5000000 -0.7811400 -0.5852915), wk = 0.0033670 k( 52) = ( 0.5000000 -0.7688215 -0.6055831), wk = 0.0033670 k( 53) = ( 0.5000000 -0.7565030 -0.6258746), wk = 0.0033670 k( 54) = ( 0.5000000 -0.7441844 -0.6461661), wk = 0.0033670 k( 55) = ( 0.5000000 -0.7318659 -0.6664576), wk = 0.0033670 k( 56) = ( 0.5000000 -0.7195474 -0.6867492), wk = 0.0033670 k( 57) = ( 0.5000000 -0.7072289 -0.7070407), wk = 0.0033670 k( 58) = ( 0.5000000 -0.6949104 -0.7273322), wk = 0.0033670 k( 59) = ( 0.5000000 -0.6825919 -0.7476237), wk = 0.0033670 k( 60) = ( 0.5000000 -0.6702733 -0.7679152), wk = 0.0033670 k( 61) = ( 0.5000000 -0.6579548 -0.7882068), wk = 0.0033670 k( 62) = ( 0.5000000 -0.6456363 -0.8084983), wk = 0.0033670 k( 63) = ( 0.5000000 -0.6333178 -0.8287898), wk = 0.0033670 k( 64) = ( 0.5000000 -0.6209993 -0.8490813), wk = 0.0033670 k( 65) = ( 0.5000000 -0.6086807 -0.8693728), wk = 0.0033670 k( 66) = ( 0.5000000 -0.5963622 -0.8896643), wk = 0.0033670 k( 67) = ( 0.5000000 -0.5840437 -0.9099559), wk = 0.0033670 k( 68) = ( 0.5000000 -0.5717252 -0.9302474), wk = 0.0033670 k( 69) = ( 0.5000000 -0.5594067 -0.9505389), wk = 0.0033670 k( 70) = ( 0.5000000 -0.5470882 -0.9708304), wk = 0.0033670 k( 71) = ( 0.5000000 -0.5347696 -0.9911219), wk = 0.0033670 k( 72) = ( 0.5000000 -0.5224511 -1.0114135), wk = 0.0033670 k( 73) = ( 0.5000000 -0.5101326 -1.0317050), wk = 0.0033670 k( 74) = ( 0.5000000 -0.4978141 -1.0519965), wk = 0.0033670 k( 75) = ( 0.5000000 -0.4854955 -1.0722880), wk = 0.0033670 k( 76) = ( 0.5000000 -0.4731770 -1.0925795), wk = 0.0033670 k( 77) = ( 0.8157286 -0.3854618 -0.9239224), wk = 0.0033670 k( 78) = ( 0.8092852 -0.3747604 -0.9033458), wk = 0.0033670 k( 79) = ( 0.8028417 -0.3640589 -0.8827693), wk = 0.0033670 k( 80) = ( 0.7963983 -0.3533575 -0.8621927), wk = 0.0033670 k( 81) = ( 0.7899549 -0.3426560 -0.8416162), wk = 0.0033670 k( 82) = ( 0.7835114 -0.3319546 -0.8210396), wk = 0.0033670 k( 83) = ( 0.7770680 -0.3212531 -0.8004631), wk = 0.0033670 k( 84) = ( 0.7706245 -0.3105517 -0.7798865), wk = 0.0033670 k( 85) = ( 0.7641811 -0.2998502 -0.7593100), wk = 0.0033670 k( 86) = ( 0.7577377 -0.2891488 -0.7387334), wk = 0.0033670 k( 87) = ( 0.7512942 -0.2784473 -0.7181569), wk = 0.0033670 k( 88) = ( 0.7448508 -0.2677459 -0.6975803), wk = 0.0033670 k( 89) = ( 0.7384073 -0.2570444 -0.6770038), wk = 0.0033670 k( 90) = ( 0.7319639 -0.2463430 -0.6564272), wk = 0.0033670 k( 91) = ( 0.7255204 -0.2356416 -0.6358507), wk = 0.0033670 k( 92) = ( 0.7190770 -0.2249401 -0.6152741), wk = 0.0033670 k( 93) = ( 0.7126336 -0.2142386 -0.5946976), wk = 0.0033670 k( 94) = ( 0.7061901 -0.2035372 -0.5741210), wk = 0.0033670 k( 95) = ( 0.6997467 -0.1928358 -0.5535445), wk = 0.0033670 k( 96) = ( 0.6933032 -0.1821343 -0.5329679), wk = 0.0033670 k( 97) = ( 0.6868598 -0.1714329 -0.5123914), wk = 0.0033670 k( 98) = ( 0.6804164 -0.1607314 -0.4918148), wk = 0.0033670 k( 99) = ( 0.6739729 -0.1500300 -0.4712382), wk = 0.0033670 k( 100) = ( 0.6675295 -0.1393285 -0.4506617), wk = 0.0033670 k( 101) = ( 0.6610860 -0.1286271 -0.4300852), wk = 0.0033670 k( 102) = ( 0.6546426 -0.1179256 -0.4095086), wk = 0.0033670 k( 103) = ( 0.6481991 -0.1072242 -0.3889321), wk = 0.0033670 k( 104) = ( 0.6417557 -0.0965227 -0.3683555), wk = 0.0033670 k( 105) = ( 0.6353123 -0.0858213 -0.3477790), wk = 0.0033670 k( 106) = ( 0.6288688 -0.0751198 -0.3272024), wk = 0.0033670 k( 107) = ( 0.6224254 -0.0644184 -0.3066258), wk = 0.0033670 k( 108) = ( 0.6159819 -0.0537169 -0.2860493), wk = 0.0033670 k( 109) = ( 0.6095385 -0.0430155 -0.2654728), wk = 0.0033670 k( 110) = ( 0.6030951 -0.0323140 -0.2448962), wk = 0.0033670 k( 111) = ( 0.5966516 -0.0216126 -0.2243197), wk = 0.0033670 k( 112) = ( 0.5902082 -0.0109111 -0.2037431), wk = 0.0033670 k( 113) = ( 0.5837647 -0.0002097 -0.1831666), wk = 0.0033670 k( 114) = ( 0.5773213 0.0104918 -0.1625900), wk = 0.0033670 k( 115) = ( 0.5708779 0.0211932 -0.1420135), wk = 0.0033670 k( 116) = ( 0.5644344 0.0318947 -0.1214369), wk = 0.0033670 k( 117) = ( 0.5579910 0.0425961 -0.1008604), wk = 0.0033670 k( 118) = ( 0.5515475 0.0532976 -0.0802838), wk = 0.0033670 k( 119) = ( 0.5451041 0.0639990 -0.0597073), wk = 0.0033670 k( 120) = ( 0.5386606 0.0747005 -0.0391307), wk = 0.0033670 k( 121) = ( 0.5322172 0.0854019 -0.0185542), wk = 0.0033670 k( 122) = ( 0.5257738 0.0961034 0.0020224), wk = 0.0033670 k( 123) = ( 0.5193303 0.1068048 0.0225989), wk = 0.0033670 k( 124) = ( 0.5128869 0.1175063 0.0431755), wk = 0.0033670 k( 125) = ( 0.5064434 0.1282077 0.0637520), wk = 0.0033670 k( 126) = ( 0.5000000 0.1389092 0.0843286), wk = 0.0033670 k( 127) = ( 0.5000000 0.1389092 0.0843286), wk = 0.0033670 k( 128) = ( 0.4772727 0.1325951 0.0804955), wk = 0.0033670 k( 129) = ( 0.4545455 0.1262811 0.0766624), wk = 0.0033670 k( 130) = ( 0.4318182 0.1199670 0.0728292), wk = 0.0033670 k( 131) = ( 0.4090909 0.1136529 0.0689961), wk = 0.0033670 k( 132) = ( 0.3863636 0.1073389 0.0651630), wk = 0.0033670 k( 133) = ( 0.3636364 0.1010248 0.0613299), wk = 0.0033670 k( 134) = ( 0.3409091 0.0947108 0.0574968), wk = 0.0033670 k( 135) = ( 0.3181818 0.0883967 0.0536636), wk = 0.0033670 k( 136) = ( 0.2954545 0.0820827 0.0498305), wk = 0.0033670 k( 137) = ( 0.2727273 0.0757686 0.0459974), wk = 0.0033670 k( 138) = ( 0.2500000 0.0694546 0.0421643), wk = 0.0033670 k( 139) = ( 0.2272727 0.0631405 0.0383312), wk = 0.0033670 k( 140) = ( 0.2045454 0.0568265 0.0344981), wk = 0.0033670 k( 141) = ( 0.1818182 0.0505124 0.0306649), wk = 0.0033670 k( 142) = ( 0.1590909 0.0441984 0.0268318), wk = 0.0033670 k( 143) = ( 0.1363636 0.0378843 0.0229987), wk = 0.0033670 k( 144) = ( 0.1136364 0.0315703 0.0191656), wk = 0.0033670 k( 145) = ( 0.0909091 0.0252562 0.0153325), wk = 0.0033670 k( 146) = ( 0.0681818 0.0189422 0.0114994), wk = 0.0033670 k( 147) = ( 0.0454546 0.0126281 0.0076662), wk = 0.0033670 k( 148) = ( 0.0227273 0.0063141 0.0038331), wk = 0.0033670 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 151) = ( 0.0064554 -0.0107213 -0.0206147), wk = 0.0033670 k( 152) = ( 0.0129108 -0.0214426 -0.0412294), wk = 0.0033670 k( 153) = ( 0.0193662 -0.0321639 -0.0618441), wk = 0.0033670 k( 154) = ( 0.0258216 -0.0428852 -0.0824588), wk = 0.0033670 k( 155) = ( 0.0322769 -0.0536065 -0.1030735), wk = 0.0033670 k( 156) = ( 0.0387323 -0.0643278 -0.1236882), wk = 0.0033670 k( 157) = ( 0.0451877 -0.0750491 -0.1443030), wk = 0.0033670 k( 158) = ( 0.0516431 -0.0857703 -0.1649177), wk = 0.0033670 k( 159) = ( 0.0580985 -0.0964916 -0.1855324), wk = 0.0033670 k( 160) = ( 0.0645539 -0.1072129 -0.2061471), wk = 0.0033670 k( 161) = ( 0.0710093 -0.1179342 -0.2267618), wk = 0.0033670 k( 162) = ( 0.0774647 -0.1286555 -0.2473765), wk = 0.0033670 k( 163) = ( 0.0839201 -0.1393768 -0.2679912), wk = 0.0033670 k( 164) = ( 0.0903755 -0.1500981 -0.2886059), wk = 0.0033670 k( 165) = ( 0.0968309 -0.1608194 -0.3092206), wk = 0.0033670 k( 166) = ( 0.1032862 -0.1715407 -0.3298353), wk = 0.0033670 k( 167) = ( 0.1097416 -0.1822620 -0.3504501), wk = 0.0033670 k( 168) = ( 0.1161970 -0.1929833 -0.3710648), wk = 0.0033670 k( 169) = ( 0.1226524 -0.2037046 -0.3916795), wk = 0.0033670 k( 170) = ( 0.1291078 -0.2144259 -0.4122942), wk = 0.0033670 k( 171) = ( 0.1355632 -0.2251472 -0.4329089), wk = 0.0033670 k( 172) = ( 0.1420186 -0.2358685 -0.4535236), wk = 0.0033670 k( 173) = ( 0.1484740 -0.2465898 -0.4741383), wk = 0.0033670 k( 174) = ( 0.1549294 -0.2573111 -0.4947530), wk = 0.0033670 k( 175) = ( 0.1613848 -0.2680324 -0.5153677), wk = 0.0033670 k( 176) = ( 0.1678401 -0.2787536 -0.5359824), wk = 0.0033670 k( 177) = ( 0.1742955 -0.2894749 -0.5565971), wk = 0.0033670 k( 178) = ( 0.1807509 -0.3001962 -0.5772118), wk = 0.0033670 k( 179) = ( 0.1872063 -0.3109175 -0.5978265), wk = 0.0033670 k( 180) = ( 0.1936617 -0.3216388 -0.6184412), wk = 0.0033670 k( 181) = ( 0.2001171 -0.3323601 -0.6390560), wk = 0.0033670 k( 182) = ( 0.2065725 -0.3430814 -0.6596707), wk = 0.0033670 k( 183) = ( 0.2130279 -0.3538027 -0.6802854), wk = 0.0033670 k( 184) = ( 0.2194833 -0.3645240 -0.7009001), wk = 0.0033670 k( 185) = ( 0.2259387 -0.3752453 -0.7215148), wk = 0.0033670 k( 186) = ( 0.2323940 -0.3859666 -0.7421295), wk = 0.0033670 k( 187) = ( 0.2388494 -0.3966879 -0.7627442), wk = 0.0033670 k( 188) = ( 0.2453048 -0.4074092 -0.7833589), wk = 0.0033670 k( 189) = ( 0.2517602 -0.4181305 -0.8039736), wk = 0.0033670 k( 190) = ( 0.2582156 -0.4288518 -0.8245883), wk = 0.0033670 k( 191) = ( 0.2646710 -0.4395731 -0.8452030), wk = 0.0033670 k( 192) = ( 0.2711264 -0.4502943 -0.8658177), wk = 0.0033670 k( 193) = ( 0.2775818 -0.4610156 -0.8864324), wk = 0.0033670 k( 194) = ( 0.2840372 -0.4717369 -0.9070472), wk = 0.0033670 k( 195) = ( 0.2904926 -0.4824582 -0.9276619), wk = 0.0033670 k( 196) = ( 0.2969480 -0.4931795 -0.9482766), wk = 0.0033670 k( 197) = ( 0.3034034 -0.5039008 -0.9688913), wk = 0.0033670 k( 198) = ( 0.3098587 -0.5146221 -0.9895060), wk = 0.0033670 k( 199) = ( 0.3163141 -0.5253434 -1.0101207), wk = 0.0033670 k( 200) = ( 0.3227695 -0.5360647 -1.0307354), wk = 0.0033670 k( 201) = ( 0.3292249 -0.5467860 -1.0513501), wk = 0.0033670 k( 202) = ( 0.3356803 -0.5575073 -1.0719648), wk = 0.0033670 k( 203) = ( 0.3421357 -0.5682286 -1.0925795), wk = 0.0033670 k( 204) = ( 0.6578643 -0.4293194 -1.0082510), wk = 0.0033670 k( 205) = ( 0.6515497 -0.4065903 -1.0082510), wk = 0.0033670 k( 206) = ( 0.6452352 -0.3838612 -1.0082510), wk = 0.0033670 k( 207) = ( 0.6389206 -0.3611320 -1.0082510), wk = 0.0033670 k( 208) = ( 0.6326060 -0.3384028 -1.0082510), wk = 0.0033670 k( 209) = ( 0.6262914 -0.3156737 -1.0082510), wk = 0.0033670 k( 210) = ( 0.6199769 -0.2929446 -1.0082510), wk = 0.0033670 k( 211) = ( 0.6136623 -0.2702154 -1.0082510), wk = 0.0033670 k( 212) = ( 0.6073477 -0.2474863 -1.0082510), wk = 0.0033670 k( 213) = ( 0.6010332 -0.2247571 -1.0082510), wk = 0.0033670 k( 214) = ( 0.5947186 -0.2020280 -1.0082510), wk = 0.0033670 k( 215) = ( 0.5884040 -0.1792988 -1.0082510), wk = 0.0033670 k( 216) = ( 0.5820894 -0.1565697 -1.0082510), wk = 0.0033670 k( 217) = ( 0.5757749 -0.1338406 -1.0082510), wk = 0.0033670 k( 218) = ( 0.5694603 -0.1111114 -1.0082510), wk = 0.0033670 k( 219) = ( 0.5631457 -0.0883823 -1.0082510), wk = 0.0033670 k( 220) = ( 0.5568312 -0.0656531 -1.0082510), wk = 0.0033670 k( 221) = ( 0.5505166 -0.0429240 -1.0082510), wk = 0.0033670 k( 222) = ( 0.5442020 -0.0201949 -1.0082510), wk = 0.0033670 k( 223) = ( 0.5378874 0.0025343 -1.0082510), wk = 0.0033670 k( 224) = ( 0.5315729 0.0252635 -1.0082510), wk = 0.0033670 k( 225) = ( 0.5252583 0.0479926 -1.0082510), wk = 0.0033670 k( 226) = ( 0.5189437 0.0707217 -1.0082510), wk = 0.0033670 k( 227) = ( 0.5126291 0.0934509 -1.0082510), wk = 0.0033670 k( 228) = ( 0.5063146 0.1161800 -1.0082510), wk = 0.0033670 k( 229) = ( 0.5000000 0.1389092 -1.0082510), wk = 0.0033670 k( 230) = ( 0.5000000 0.1389092 -1.0082510), wk = 0.0033670 k( 231) = ( 0.5197330 0.1443914 -0.9977099), wk = 0.0033670 k( 232) = ( 0.5394661 0.1498736 -0.9871688), wk = 0.0033670 k( 233) = ( 0.5591991 0.1553558 -0.9766277), wk = 0.0033670 k( 234) = ( 0.5789322 0.1608380 -0.9660867), wk = 0.0033670 k( 235) = ( 0.5986652 0.1663202 -0.9555456), wk = 0.0033670 k( 236) = ( 0.6183982 0.1718024 -0.9450045), wk = 0.0033670 k( 237) = ( 0.6381313 0.1772846 -0.9344634), wk = 0.0033670 k( 238) = ( 0.6578643 0.1827668 -0.9239224), wk = 0.0033670 k( 239) = ( 0.6578643 0.1827668 -0.9239224), wk = 0.0033670 k( 240) = ( 0.6541056 0.1817225 -0.8999164), wk = 0.0033670 k( 241) = ( 0.6503470 0.1806783 -0.8759104), wk = 0.0033670 k( 242) = ( 0.6465883 0.1796341 -0.8519044), wk = 0.0033670 k( 243) = ( 0.6428296 0.1785898 -0.8278985), wk = 0.0033670 k( 244) = ( 0.6390709 0.1775456 -0.8038925), wk = 0.0033670 k( 245) = ( 0.6353123 0.1765014 -0.7798865), wk = 0.0033670 k( 246) = ( 0.6315536 0.1754572 -0.7558805), wk = 0.0033670 k( 247) = ( 0.6277949 0.1744129 -0.7318746), wk = 0.0033670 k( 248) = ( 0.6240362 0.1733687 -0.7078686), wk = 0.0033670 k( 249) = ( 0.6202776 0.1723245 -0.6838626), wk = 0.0033670 k( 250) = ( 0.6165189 0.1712802 -0.6598566), wk = 0.0033670 k( 251) = ( 0.6127602 0.1702360 -0.6358507), wk = 0.0033670 k( 252) = ( 0.6090016 0.1691918 -0.6118447), wk = 0.0033670 k( 253) = ( 0.6052429 0.1681476 -0.5878387), wk = 0.0033670 k( 254) = ( 0.6014842 0.1671033 -0.5638327), wk = 0.0033670 k( 255) = ( 0.5977255 0.1660591 -0.5398268), wk = 0.0033670 k( 256) = ( 0.5939669 0.1650149 -0.5158208), wk = 0.0033670 k( 257) = ( 0.5902082 0.1639706 -0.4918148), wk = 0.0033670 k( 258) = ( 0.5864495 0.1629264 -0.4678088), wk = 0.0033670 k( 259) = ( 0.5826908 0.1618822 -0.4438029), wk = 0.0033670 k( 260) = ( 0.5789322 0.1608380 -0.4197969), wk = 0.0033670 k( 261) = ( 0.5751735 0.1597937 -0.3957909), wk = 0.0033670 k( 262) = ( 0.5714148 0.1587495 -0.3717850), wk = 0.0033670 k( 263) = ( 0.5676561 0.1577053 -0.3477790), wk = 0.0033670 k( 264) = ( 0.5638975 0.1566610 -0.3237730), wk = 0.0033670 k( 265) = ( 0.5601388 0.1556168 -0.2997670), wk = 0.0033670 k( 266) = ( 0.5563801 0.1545726 -0.2757610), wk = 0.0033670 k( 267) = ( 0.5526214 0.1535284 -0.2517551), wk = 0.0033670 k( 268) = ( 0.5488628 0.1524841 -0.2277491), wk = 0.0033670 k( 269) = ( 0.5451041 0.1514399 -0.2037431), wk = 0.0033670 k( 270) = ( 0.5413454 0.1503957 -0.1797371), wk = 0.0033670 k( 271) = ( 0.5375867 0.1493514 -0.1557312), wk = 0.0033670 k( 272) = ( 0.5338281 0.1483072 -0.1317252), wk = 0.0033670 k( 273) = ( 0.5300694 0.1472630 -0.1077192), wk = 0.0033670 k( 274) = ( 0.5263107 0.1462188 -0.0837132), wk = 0.0033670 k( 275) = ( 0.5225520 0.1451745 -0.0597073), wk = 0.0033670 k( 276) = ( 0.5187934 0.1441303 -0.0357013), wk = 0.0033670 k( 277) = ( 0.5150347 0.1430861 -0.0116953), wk = 0.0033670 k( 278) = ( 0.5112760 0.1420418 0.0123107), wk = 0.0033670 k( 279) = ( 0.5075173 0.1409976 0.0363166), wk = 0.0033670 k( 280) = ( 0.5037587 0.1399534 0.0603226), wk = 0.0033670 k( 281) = ( 0.5000000 0.1389092 0.0843286), wk = 0.0033670 k( 282) = ( 0.5000000 -0.8304141 -0.5041255), wk = 0.0033670 k( 283) = ( 0.5210486 -0.8211535 -0.4985036), wk = 0.0033670 k( 284) = ( 0.5420972 -0.8118929 -0.4928817), wk = 0.0033670 k( 285) = ( 0.5631457 -0.8026322 -0.4872598), wk = 0.0033670 k( 286) = ( 0.5841943 -0.7933717 -0.4816379), wk = 0.0033670 k( 287) = ( 0.6052429 -0.7841110 -0.4760159), wk = 0.0033670 k( 288) = ( 0.6262914 -0.7748504 -0.4703940), wk = 0.0033670 k( 289) = ( 0.6473400 -0.7655898 -0.4647721), wk = 0.0033670 k( 290) = ( 0.6683886 -0.7563292 -0.4591502), wk = 0.0033670 k( 291) = ( 0.6894372 -0.7470686 -0.4535283), wk = 0.0033670 k( 292) = ( 0.7104858 -0.7378080 -0.4479064), wk = 0.0033670 k( 293) = ( 0.7315343 -0.7285474 -0.4422845), wk = 0.0033670 k( 294) = ( 0.7525829 -0.7192868 -0.4366626), wk = 0.0033670 k( 295) = ( 0.7736315 -0.7100261 -0.4310407), wk = 0.0033670 k( 296) = ( 0.7946800 -0.7007655 -0.4254188), wk = 0.0033670 k( 297) = ( 0.8157286 -0.6915049 -0.4197969), wk = 0.0033670 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0033670 k( 3) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0033670 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0033670 k( 5) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0033670 k( 6) = ( 0.0555556 0.0000000 -0.0000000), wk = 0.0033670 k( 7) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0033670 k( 8) = ( 0.0777778 -0.0000000 -0.0000000), wk = 0.0033670 k( 9) = ( 0.0888889 0.0000000 -0.0000000), wk = 0.0033670 k( 10) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0033670 k( 11) = ( 0.1111111 0.0000000 -0.0000000), wk = 0.0033670 k( 12) = ( 0.1222222 -0.0000000 -0.0000000), wk = 0.0033670 k( 13) = ( 0.1333333 0.0000000 -0.0000000), wk = 0.0033670 k( 14) = ( 0.1444444 -0.0000000 -0.0000000), wk = 0.0033670 k( 15) = ( 0.1555556 -0.0000000 -0.0000000), wk = 0.0033670 k( 16) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0033670 k( 17) = ( 0.1777778 0.0000000 -0.0000000), wk = 0.0033670 k( 18) = ( 0.1888889 0.0000000 -0.0000000), wk = 0.0033670 k( 19) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0033670 k( 20) = ( 0.2111111 -0.0000000 -0.0000000), wk = 0.0033670 k( 21) = ( 0.2222222 0.0000000 -0.0000000), wk = 0.0033670 k( 22) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0033670 k( 23) = ( 0.2444444 -0.0000000 -0.0000000), wk = 0.0033670 k( 24) = ( 0.2555556 0.0000000 -0.0000000), wk = 0.0033670 k( 25) = ( 0.2666667 0.0000000 -0.0000000), wk = 0.0033670 k( 26) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0033670 k( 27) = ( 0.2888889 0.0000000 -0.0000000), wk = 0.0033670 k( 28) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0033670 k( 29) = ( 0.3111111 0.0000000 -0.0000000), wk = 0.0033670 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0033670 k( 31) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0033670 k( 32) = ( 0.3444444 0.0000000 -0.0000000), wk = 0.0033670 k( 33) = ( 0.3555556 0.0000000 -0.0000000), wk = 0.0033670 k( 34) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0033670 k( 35) = ( 0.3777778 0.0000000 -0.0000000), wk = 0.0033670 k( 36) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0033670 k( 37) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0033670 k( 38) = ( 0.4111111 0.0000000 -0.0000000), wk = 0.0033670 k( 39) = ( 0.4222222 -0.0000000 -0.0000000), wk = 0.0033670 k( 40) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0033670 k( 41) = ( 0.4444444 0.0000000 -0.0000000), wk = 0.0033670 k( 42) = ( 0.4555556 0.0000000 0.0000000), wk = 0.0033670 k( 43) = ( 0.4666667 0.0000000 -0.0000000), wk = 0.0033670 k( 44) = ( 0.4777778 0.0000000 0.0000000), wk = 0.0033670 k( 45) = ( 0.4888889 0.0000000 -0.0000000), wk = 0.0033670 k( 46) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033670 k( 47) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033670 k( 48) = ( 0.5000000 0.0063542 -0.0063542), wk = 0.0033670 k( 49) = ( 0.5000000 0.0127084 -0.0127084), wk = 0.0033670 k( 50) = ( 0.5000000 0.0190626 -0.0190626), wk = 0.0033670 k( 51) = ( 0.5000000 0.0254167 -0.0254167), wk = 0.0033670 k( 52) = ( 0.5000000 0.0317709 -0.0317709), wk = 0.0033670 k( 53) = ( 0.5000000 0.0381251 -0.0381251), wk = 0.0033670 k( 54) = ( 0.5000000 0.0444793 -0.0444793), wk = 0.0033670 k( 55) = ( 0.5000000 0.0508335 -0.0508335), wk = 0.0033670 k( 56) = ( 0.5000000 0.0571877 -0.0571877), wk = 0.0033670 k( 57) = ( 0.5000000 0.0635419 -0.0635418), wk = 0.0033670 k( 58) = ( 0.5000000 0.0698960 -0.0698960), wk = 0.0033670 k( 59) = ( 0.5000000 0.0762502 -0.0762502), wk = 0.0033670 k( 60) = ( 0.5000000 0.0826044 -0.0826044), wk = 0.0033670 k( 61) = ( 0.5000000 0.0889586 -0.0889586), wk = 0.0033670 k( 62) = ( 0.5000000 0.0953128 -0.0953128), wk = 0.0033670 k( 63) = ( 0.5000000 0.1016670 -0.1016670), wk = 0.0033670 k( 64) = ( 0.5000000 0.1080211 -0.1080212), wk = 0.0033670 k( 65) = ( 0.5000000 0.1143753 -0.1143753), wk = 0.0033670 k( 66) = ( 0.5000000 0.1207295 -0.1207295), wk = 0.0033670 k( 67) = ( 0.5000000 0.1270837 -0.1270837), wk = 0.0033670 k( 68) = ( 0.5000000 0.1334379 -0.1334379), wk = 0.0033670 k( 69) = ( 0.5000000 0.1397921 -0.1397921), wk = 0.0033670 k( 70) = ( 0.5000000 0.1461463 -0.1461463), wk = 0.0033670 k( 71) = ( 0.5000000 0.1525005 -0.1525005), wk = 0.0033670 k( 72) = ( 0.5000000 0.1588546 -0.1588546), wk = 0.0033670 k( 73) = ( 0.5000000 0.1652088 -0.1652088), wk = 0.0033670 k( 74) = ( 0.5000000 0.1715630 -0.1715630), wk = 0.0033670 k( 75) = ( 0.5000000 0.1779172 -0.1779172), wk = 0.0033670 k( 76) = ( 0.5000000 0.1842714 -0.1842714), wk = 0.0033670 k( 77) = ( 0.8157286 0.5000000 0.1842714), wk = 0.0033670 k( 78) = ( 0.8092852 0.5000000 0.1907148), wk = 0.0033670 k( 79) = ( 0.8028417 0.5000000 0.1971583), wk = 0.0033670 k( 80) = ( 0.7963983 0.5000000 0.2036017), wk = 0.0033670 k( 81) = ( 0.7899549 0.5000000 0.2100451), wk = 0.0033670 k( 82) = ( 0.7835114 0.5000000 0.2164886), wk = 0.0033670 k( 83) = ( 0.7770680 0.5000000 0.2229320), wk = 0.0033670 k( 84) = ( 0.7706245 0.5000000 0.2293755), wk = 0.0033670 k( 85) = ( 0.7641811 0.5000000 0.2358189), wk = 0.0033670 k( 86) = ( 0.7577377 0.5000000 0.2422623), wk = 0.0033670 k( 87) = ( 0.7512942 0.5000000 0.2487058), wk = 0.0033670 k( 88) = ( 0.7448508 0.5000000 0.2551492), wk = 0.0033670 k( 89) = ( 0.7384073 0.5000000 0.2615927), wk = 0.0033670 k( 90) = ( 0.7319639 0.5000000 0.2680361), wk = 0.0033670 k( 91) = ( 0.7255204 0.5000000 0.2744795), wk = 0.0033670 k( 92) = ( 0.7190770 0.5000000 0.2809230), wk = 0.0033670 k( 93) = ( 0.7126336 0.5000000 0.2873664), wk = 0.0033670 k( 94) = ( 0.7061901 0.5000000 0.2938099), wk = 0.0033670 k( 95) = ( 0.6997467 0.5000000 0.3002533), wk = 0.0033670 k( 96) = ( 0.6933032 0.5000000 0.3066968), wk = 0.0033670 k( 97) = ( 0.6868598 0.5000000 0.3131402), wk = 0.0033670 k( 98) = ( 0.6804164 0.5000000 0.3195836), wk = 0.0033670 k( 99) = ( 0.6739729 0.5000000 0.3260271), wk = 0.0033670 k( 100) = ( 0.6675295 0.5000000 0.3324705), wk = 0.0033670 k( 101) = ( 0.6610860 0.5000000 0.3389140), wk = 0.0033670 k( 102) = ( 0.6546426 0.5000000 0.3453574), wk = 0.0033670 k( 103) = ( 0.6481991 0.5000000 0.3518009), wk = 0.0033670 k( 104) = ( 0.6417557 0.5000000 0.3582443), wk = 0.0033670 k( 105) = ( 0.6353123 0.5000000 0.3646877), wk = 0.0033670 k( 106) = ( 0.6288688 0.5000000 0.3711312), wk = 0.0033670 k( 107) = ( 0.6224254 0.5000000 0.3775746), wk = 0.0033670 k( 108) = ( 0.6159819 0.5000000 0.3840181), wk = 0.0033670 k( 109) = ( 0.6095385 0.5000000 0.3904615), wk = 0.0033670 k( 110) = ( 0.6030951 0.5000000 0.3969049), wk = 0.0033670 k( 111) = ( 0.5966516 0.5000000 0.4033484), wk = 0.0033670 k( 112) = ( 0.5902082 0.5000000 0.4097918), wk = 0.0033670 k( 113) = ( 0.5837647 0.5000000 0.4162353), wk = 0.0033670 k( 114) = ( 0.5773213 0.5000000 0.4226787), wk = 0.0033670 k( 115) = ( 0.5708779 0.5000000 0.4291221), wk = 0.0033670 k( 116) = ( 0.5644344 0.5000000 0.4355656), wk = 0.0033670 k( 117) = ( 0.5579910 0.5000000 0.4420090), wk = 0.0033670 k( 118) = ( 0.5515475 0.5000000 0.4484525), wk = 0.0033670 k( 119) = ( 0.5451041 0.5000000 0.4548959), wk = 0.0033670 k( 120) = ( 0.5386606 0.5000000 0.4613393), wk = 0.0033670 k( 121) = ( 0.5322172 0.5000000 0.4677828), wk = 0.0033670 k( 122) = ( 0.5257738 0.5000000 0.4742262), wk = 0.0033670 k( 123) = ( 0.5193303 0.5000000 0.4806697), wk = 0.0033670 k( 124) = ( 0.5128869 0.5000000 0.4871131), wk = 0.0033670 k( 125) = ( 0.5064434 0.5000000 0.4935566), wk = 0.0033670 k( 126) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033670 k( 127) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033670 k( 128) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0033670 k( 129) = ( 0.4545455 0.4545455 0.4545454), wk = 0.0033670 k( 130) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0033670 k( 131) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0033670 k( 132) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0033670 k( 133) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0033670 k( 134) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0033670 k( 135) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0033670 k( 136) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0033670 k( 137) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0033670 k( 138) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033670 k( 139) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0033670 k( 140) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0033670 k( 141) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0033670 k( 142) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0033670 k( 143) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0033670 k( 144) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0033670 k( 145) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0033670 k( 146) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0033670 k( 147) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0033670 k( 148) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0033670 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 151) = ( 0.0064554 0.0000000 -0.0064554), wk = 0.0033670 k( 152) = ( 0.0129108 0.0000000 -0.0129108), wk = 0.0033670 k( 153) = ( 0.0193662 0.0000000 -0.0193662), wk = 0.0033670 k( 154) = ( 0.0258216 0.0000000 -0.0258216), wk = 0.0033670 k( 155) = ( 0.0322769 0.0000000 -0.0322769), wk = 0.0033670 k( 156) = ( 0.0387323 0.0000000 -0.0387323), wk = 0.0033670 k( 157) = ( 0.0451877 -0.0000000 -0.0451877), wk = 0.0033670 k( 158) = ( 0.0516431 0.0000000 -0.0516431), wk = 0.0033670 k( 159) = ( 0.0580985 0.0000000 -0.0580985), wk = 0.0033670 k( 160) = ( 0.0645539 0.0000000 -0.0645539), wk = 0.0033670 k( 161) = ( 0.0710093 0.0000000 -0.0710093), wk = 0.0033670 k( 162) = ( 0.0774647 0.0000000 -0.0774647), wk = 0.0033670 k( 163) = ( 0.0839201 -0.0000000 -0.0839201), wk = 0.0033670 k( 164) = ( 0.0903755 -0.0000000 -0.0903755), wk = 0.0033670 k( 165) = ( 0.0968309 0.0000000 -0.0968309), wk = 0.0033670 k( 166) = ( 0.1032862 0.0000000 -0.1032862), wk = 0.0033670 k( 167) = ( 0.1097416 0.0000000 -0.1097416), wk = 0.0033670 k( 168) = ( 0.1161970 0.0000000 -0.1161970), wk = 0.0033670 k( 169) = ( 0.1226524 0.0000000 -0.1226524), wk = 0.0033670 k( 170) = ( 0.1291078 0.0000000 -0.1291078), wk = 0.0033670 k( 171) = ( 0.1355632 0.0000000 -0.1355632), wk = 0.0033670 k( 172) = ( 0.1420186 0.0000000 -0.1420186), wk = 0.0033670 k( 173) = ( 0.1484740 0.0000000 -0.1484740), wk = 0.0033670 k( 174) = ( 0.1549294 -0.0000000 -0.1549294), wk = 0.0033670 k( 175) = ( 0.1613848 0.0000000 -0.1613848), wk = 0.0033670 k( 176) = ( 0.1678401 -0.0000000 -0.1678401), wk = 0.0033670 k( 177) = ( 0.1742955 0.0000000 -0.1742955), wk = 0.0033670 k( 178) = ( 0.1807509 -0.0000000 -0.1807509), wk = 0.0033670 k( 179) = ( 0.1872063 0.0000000 -0.1872063), wk = 0.0033670 k( 180) = ( 0.1936617 -0.0000000 -0.1936617), wk = 0.0033670 k( 181) = ( 0.2001171 0.0000000 -0.2001171), wk = 0.0033670 k( 182) = ( 0.2065725 0.0000000 -0.2065725), wk = 0.0033670 k( 183) = ( 0.2130279 -0.0000000 -0.2130279), wk = 0.0033670 k( 184) = ( 0.2194833 0.0000000 -0.2194833), wk = 0.0033670 k( 185) = ( 0.2259387 -0.0000000 -0.2259387), wk = 0.0033670 k( 186) = ( 0.2323940 0.0000000 -0.2323941), wk = 0.0033670 k( 187) = ( 0.2388494 -0.0000000 -0.2388494), wk = 0.0033670 k( 188) = ( 0.2453048 0.0000000 -0.2453048), wk = 0.0033670 k( 189) = ( 0.2517602 -0.0000000 -0.2517602), wk = 0.0033670 k( 190) = ( 0.2582156 0.0000000 -0.2582156), wk = 0.0033670 k( 191) = ( 0.2646710 -0.0000000 -0.2646710), wk = 0.0033670 k( 192) = ( 0.2711264 0.0000000 -0.2711264), wk = 0.0033670 k( 193) = ( 0.2775818 0.0000000 -0.2775818), wk = 0.0033670 k( 194) = ( 0.2840372 0.0000000 -0.2840372), wk = 0.0033670 k( 195) = ( 0.2904926 0.0000000 -0.2904926), wk = 0.0033670 k( 196) = ( 0.2969480 0.0000000 -0.2969480), wk = 0.0033670 k( 197) = ( 0.3034034 0.0000000 -0.3034034), wk = 0.0033670 k( 198) = ( 0.3098587 -0.0000000 -0.3098587), wk = 0.0033670 k( 199) = ( 0.3163141 -0.0000000 -0.3163141), wk = 0.0033670 k( 200) = ( 0.3227695 0.0000000 -0.3227695), wk = 0.0033670 k( 201) = ( 0.3292249 0.0000000 -0.3292249), wk = 0.0033670 k( 202) = ( 0.3356803 -0.0000000 -0.3356803), wk = 0.0033670 k( 203) = ( 0.3421357 -0.0000000 -0.3421357), wk = 0.0033670 k( 204) = ( 0.6578643 0.3421357 -0.0000000), wk = 0.0033670 k( 205) = ( 0.6515497 0.3484503 -0.0000000), wk = 0.0033670 k( 206) = ( 0.6452352 0.3547648 -0.0000000), wk = 0.0033670 k( 207) = ( 0.6389206 0.3610794 -0.0000000), wk = 0.0033670 k( 208) = ( 0.6326060 0.3673940 -0.0000000), wk = 0.0033670 k( 209) = ( 0.6262914 0.3737085 -0.0000000), wk = 0.0033670 k( 210) = ( 0.6199769 0.3800231 -0.0000000), wk = 0.0033670 k( 211) = ( 0.6136623 0.3863377 -0.0000000), wk = 0.0033670 k( 212) = ( 0.6073477 0.3926523 -0.0000000), wk = 0.0033670 k( 213) = ( 0.6010332 0.3989668 -0.0000000), wk = 0.0033670 k( 214) = ( 0.5947186 0.4052814 -0.0000000), wk = 0.0033670 k( 215) = ( 0.5884040 0.4115960 -0.0000000), wk = 0.0033670 k( 216) = ( 0.5820894 0.4179106 -0.0000000), wk = 0.0033670 k( 217) = ( 0.5757749 0.4242251 -0.0000000), wk = 0.0033670 k( 218) = ( 0.5694603 0.4305397 -0.0000000), wk = 0.0033670 k( 219) = ( 0.5631457 0.4368543 -0.0000000), wk = 0.0033670 k( 220) = ( 0.5568312 0.4431689 -0.0000000), wk = 0.0033670 k( 221) = ( 0.5505166 0.4494834 -0.0000000), wk = 0.0033670 k( 222) = ( 0.5442020 0.4557980 -0.0000000), wk = 0.0033670 k( 223) = ( 0.5378874 0.4621126 -0.0000000), wk = 0.0033670 k( 224) = ( 0.5315729 0.4684271 0.0000000), wk = 0.0033670 k( 225) = ( 0.5252583 0.4747417 -0.0000000), wk = 0.0033670 k( 226) = ( 0.5189437 0.4810563 -0.0000000), wk = 0.0033670 k( 227) = ( 0.5126291 0.4873709 0.0000000), wk = 0.0033670 k( 228) = ( 0.5063146 0.4936854 -0.0000000), wk = 0.0033670 k( 229) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033670 k( 230) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033670 k( 231) = ( 0.5197330 0.5197330 0.0230339), wk = 0.0033670 k( 232) = ( 0.5394661 0.5394661 0.0460678), wk = 0.0033670 k( 233) = ( 0.5591991 0.5591991 0.0691018), wk = 0.0033670 k( 234) = ( 0.5789322 0.5789322 0.0921357), wk = 0.0033670 k( 235) = ( 0.5986652 0.5986652 0.1151696), wk = 0.0033670 k( 236) = ( 0.6183982 0.6183982 0.1382035), wk = 0.0033670 k( 237) = ( 0.6381313 0.6381313 0.1612375), wk = 0.0033670 k( 238) = ( 0.6578643 0.6578643 0.1842714), wk = 0.0033670 k( 239) = ( 0.6578643 0.6578643 0.1842714), wk = 0.0033670 k( 240) = ( 0.6541056 0.6541056 0.1917887), wk = 0.0033670 k( 241) = ( 0.6503470 0.6503470 0.1993061), wk = 0.0033670 k( 242) = ( 0.6465883 0.6465883 0.2068234), wk = 0.0033670 k( 243) = ( 0.6428296 0.6428296 0.2143408), wk = 0.0033670 k( 244) = ( 0.6390709 0.6390709 0.2218581), wk = 0.0033670 k( 245) = ( 0.6353123 0.6353123 0.2293755), wk = 0.0033670 k( 246) = ( 0.6315536 0.6315536 0.2368928), wk = 0.0033670 k( 247) = ( 0.6277949 0.6277949 0.2444102), wk = 0.0033670 k( 248) = ( 0.6240362 0.6240362 0.2519275), wk = 0.0033670 k( 249) = ( 0.6202776 0.6202776 0.2594449), wk = 0.0033670 k( 250) = ( 0.6165189 0.6165189 0.2669622), wk = 0.0033670 k( 251) = ( 0.6127602 0.6127602 0.2744795), wk = 0.0033670 k( 252) = ( 0.6090016 0.6090016 0.2819969), wk = 0.0033670 k( 253) = ( 0.6052429 0.6052429 0.2895142), wk = 0.0033670 k( 254) = ( 0.6014842 0.6014842 0.2970316), wk = 0.0033670 k( 255) = ( 0.5977255 0.5977255 0.3045489), wk = 0.0033670 k( 256) = ( 0.5939669 0.5939669 0.3120663), wk = 0.0033670 k( 257) = ( 0.5902082 0.5902082 0.3195836), wk = 0.0033670 k( 258) = ( 0.5864495 0.5864495 0.3271010), wk = 0.0033670 k( 259) = ( 0.5826908 0.5826908 0.3346183), wk = 0.0033670 k( 260) = ( 0.5789322 0.5789322 0.3421357), wk = 0.0033670 k( 261) = ( 0.5751735 0.5751735 0.3496530), wk = 0.0033670 k( 262) = ( 0.5714148 0.5714148 0.3571704), wk = 0.0033670 k( 263) = ( 0.5676561 0.5676561 0.3646877), wk = 0.0033670 k( 264) = ( 0.5638975 0.5638975 0.3722051), wk = 0.0033670 k( 265) = ( 0.5601388 0.5601388 0.3797224), wk = 0.0033670 k( 266) = ( 0.5563801 0.5563801 0.3872398), wk = 0.0033670 k( 267) = ( 0.5526214 0.5526214 0.3947571), wk = 0.0033670 k( 268) = ( 0.5488628 0.5488628 0.4022745), wk = 0.0033670 k( 269) = ( 0.5451041 0.5451041 0.4097918), wk = 0.0033670 k( 270) = ( 0.5413454 0.5413454 0.4173092), wk = 0.0033670 k( 271) = ( 0.5375867 0.5375867 0.4248265), wk = 0.0033670 k( 272) = ( 0.5338281 0.5338281 0.4323439), wk = 0.0033670 k( 273) = ( 0.5300694 0.5300694 0.4398612), wk = 0.0033670 k( 274) = ( 0.5263107 0.5263107 0.4473786), wk = 0.0033670 k( 275) = ( 0.5225520 0.5225520 0.4548959), wk = 0.0033670 k( 276) = ( 0.5187934 0.5187934 0.4624133), wk = 0.0033670 k( 277) = ( 0.5150347 0.5150347 0.4699306), wk = 0.0033670 k( 278) = ( 0.5112760 0.5112760 0.4774480), wk = 0.0033670 k( 279) = ( 0.5075173 0.5075173 0.4849653), wk = 0.0033670 k( 280) = ( 0.5037587 0.5037587 0.4924827), wk = 0.0033670 k( 281) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033670 k( 282) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033670 k( 283) = ( 0.5210486 0.0228091 0.0228090), wk = 0.0033670 k( 284) = ( 0.5420972 0.0456181 0.0456181), wk = 0.0033670 k( 285) = ( 0.5631457 0.0684271 0.0684271), wk = 0.0033670 k( 286) = ( 0.5841943 0.0912362 0.0912362), wk = 0.0033670 k( 287) = ( 0.6052429 0.1140452 0.1140452), wk = 0.0033670 k( 288) = ( 0.6262914 0.1368543 0.1368543), wk = 0.0033670 k( 289) = ( 0.6473400 0.1596633 0.1596633), wk = 0.0033670 k( 290) = ( 0.6683886 0.1824724 0.1824724), wk = 0.0033670 k( 291) = ( 0.6894372 0.2052814 0.2052814), wk = 0.0033670 k( 292) = ( 0.7104858 0.2280905 0.2280905), wk = 0.0033670 k( 293) = ( 0.7315343 0.2508995 0.2508995), wk = 0.0033670 k( 294) = ( 0.7525829 0.2737085 0.2737085), wk = 0.0033670 k( 295) = ( 0.7736315 0.2965176 0.2965176), wk = 0.0033670 k( 296) = ( 0.7946800 0.3193266 0.3193266), wk = 0.0033670 k( 297) = ( 0.8157286 0.3421357 0.3421357), wk = 0.0033670 Dense grid: 118443 G-vectors FFT dimensions: ( 100, 100, 100) Smooth grid: 30263 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 216, 48) NL pseudopotentials 0.22 Mb ( 108, 136) Each V/rho on FFT grid 0.46 Mb ( 30000) Each G-vector array 0.03 Mb ( 3292) G-vector shells 0.02 Mb ( 2725) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.63 Mb ( 216, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.20 Mb ( 136, 2, 48) The potential is recalculated from file : ./TlBiS2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 5.7 secs Computing kpt #: 5 total cpu time spent up to now is 6.2 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.3 secs Computing kpt #: 8 total cpu time spent up to now is 7.8 secs Computing kpt #: 9 total cpu time spent up to now is 8.3 secs Computing kpt #: 10 total cpu time spent up to now is 8.9 secs Computing kpt #: 11 total cpu time spent up to now is 9.4 secs Computing kpt #: 12 total cpu time spent up to now is 10.0 secs Computing kpt #: 13 total cpu time spent up to now is 10.5 secs Computing kpt #: 14 total cpu time spent up to now is 11.1 secs Computing kpt #: 15 total cpu time spent up to now is 11.6 secs Computing kpt #: 16 total cpu time spent up to now is 12.2 secs Computing kpt #: 17 total cpu time spent up to now is 12.7 secs Computing kpt #: 18 total cpu time spent up to now is 13.3 secs Computing kpt #: 19 total cpu time spent up to now is 13.9 secs Computing kpt #: 20 total cpu time spent up to now is 14.4 secs Computing kpt #: 21 total cpu time spent up to now is 15.0 secs Computing kpt #: 22 total cpu time spent up to now is 15.6 secs Computing kpt #: 23 total cpu time spent up to now is 16.2 secs Computing kpt #: 24 total cpu time spent up to now is 16.7 secs Computing kpt #: 25 total cpu time spent up to now is 17.3 secs Computing kpt #: 26 total cpu time spent up to now is 17.9 secs Computing kpt #: 27 total cpu time spent up to now is 18.5 secs Computing kpt #: 28 total cpu time spent up to now is 19.0 secs Computing kpt #: 29 total cpu time spent up to now is 19.6 secs Computing kpt #: 30 total cpu time spent up to now is 20.2 secs Computing kpt #: 31 total cpu time spent up to now is 20.8 secs Computing kpt #: 32 total cpu time spent up to now is 21.4 secs Computing kpt #: 33 total cpu time spent up to now is 21.9 secs Computing kpt #: 34 total cpu time spent up to now is 22.5 secs Computing kpt #: 35 total cpu time spent up to now is 23.1 secs Computing kpt #: 36 total cpu time spent up to now is 23.7 secs Computing kpt #: 37 total cpu time spent up to now is 24.3 secs Computing kpt #: 38 total cpu time spent up to now is 24.8 secs Computing kpt #: 39 total cpu time spent up to now is 25.4 secs Computing kpt #: 40 total cpu time spent up to now is 26.0 secs Computing kpt #: 41 total cpu time spent up to now is 26.6 secs Computing kpt #: 42 total cpu time spent up to now is 27.2 secs Computing kpt #: 43 total cpu time spent up to now is 27.8 secs Computing kpt #: 44 total cpu time spent up to now is 28.4 secs Computing kpt #: 45 total cpu time spent up to now is 29.1 secs Computing kpt #: 46 total cpu time spent up to now is 29.7 secs Computing kpt #: 47 total cpu time spent up to now is 30.4 secs Computing kpt #: 48 total cpu time spent up to now is 31.0 secs Computing kpt #: 49 total cpu time spent up to now is 31.6 secs Computing kpt #: 50 total cpu time spent up to now is 32.2 secs Computing kpt #: 51 total cpu time spent up to now is 32.7 secs Computing kpt #: 52 total cpu time spent up to now is 33.4 secs Computing kpt #: 53 total cpu time spent up to now is 34.0 secs Computing kpt #: 54 total cpu time spent up to now is 34.6 secs Computing kpt #: 55 total cpu time spent up to now is 35.2 secs Computing kpt #: 56 total cpu time spent up to now is 35.8 secs Computing kpt #: 57 total cpu time spent up to now is 36.4 secs Computing kpt #: 58 total cpu time spent up to now is 37.0 secs Computing kpt #: 59 total cpu time spent up to now is 37.6 secs Computing kpt #: 60 total cpu time spent up to now is 38.2 secs Computing kpt #: 61 total cpu time spent up to now is 38.8 secs Computing kpt #: 62 total cpu time spent up to now is 39.4 secs Computing kpt #: 63 total cpu time spent up to now is 40.2 secs Computing kpt #: 64 total cpu time spent up to now is 41.0 secs Computing kpt #: 65 total cpu time spent up to now is 41.7 secs Computing kpt #: 66 total cpu time spent up to now is 42.3 secs Computing kpt #: 67 total cpu time spent up to now is 42.8 secs Computing kpt #: 68 total cpu time spent up to now is 43.4 secs Computing kpt #: 69 total cpu time spent up to now is 44.0 secs Computing kpt #: 70 total cpu time spent up to now is 44.6 secs Computing kpt #: 71 total cpu time spent up to now is 45.1 secs Computing kpt #: 72 total cpu time spent up to now is 45.7 secs Computing kpt #: 73 total cpu time spent up to now is 46.3 secs Computing kpt #: 74 total cpu time spent up to now is 46.8 secs Computing kpt #: 75 total cpu time spent up to now is 47.4 secs Computing kpt #: 76 total cpu time spent up to now is 48.0 secs Computing kpt #: 77 total cpu time spent up to now is 48.5 secs Computing kpt #: 78 total cpu time spent up to now is 49.1 secs Computing kpt #: 79 total cpu time spent up to now is 49.7 secs Computing kpt #: 80 total cpu time spent up to now is 50.3 secs Computing kpt #: 81 total cpu time spent up to now is 50.8 secs Computing kpt #: 82 total cpu time spent up to now is 51.4 secs Computing kpt #: 83 total cpu time spent up to now is 52.0 secs Computing kpt #: 84 total cpu time spent up to now is 52.6 secs Computing kpt #: 85 total cpu time spent up to now is 53.2 secs Computing kpt #: 86 total cpu time spent up to now is 53.8 secs Computing kpt #: 87 total cpu time spent up to now is 54.4 secs Computing kpt #: 88 total cpu time spent up to now is 55.0 secs Computing kpt #: 89 total cpu time spent up to now is 55.6 secs Computing kpt #: 90 total cpu time spent up to now is 56.2 secs Computing kpt #: 91 total cpu time spent up to now is 56.8 secs Computing kpt #: 92 total cpu time spent up to now is 57.5 secs Computing kpt #: 93 total cpu time spent up to now is 58.1 secs Computing kpt #: 94 total cpu time spent up to now is 58.7 secs Computing kpt #: 95 total cpu time spent up to now is 59.3 secs Computing kpt #: 96 total cpu time spent up to now is 59.9 secs Computing kpt #: 97 total cpu time spent up to now is 60.5 secs Computing kpt #: 98 total cpu time spent up to now is 61.1 secs Computing kpt #: 99 total cpu time spent up to now is 61.7 secs Computing kpt #: 100 total cpu time spent up to now is 62.3 secs Computing kpt #: 101 total cpu time spent up to now is 62.9 secs Computing kpt #: 102 total cpu time spent up to now is 63.5 secs Computing kpt #: 103 total cpu time spent up to now is 64.0 secs Computing kpt #: 104 total cpu time spent up to now is 64.6 secs Computing kpt #: 105 total cpu time spent up to now is 65.2 secs Computing kpt #: 106 total cpu time spent up to now is 65.8 secs Computing kpt #: 107 total cpu time spent up to now is 66.4 secs Computing kpt #: 108 total cpu time spent up to now is 66.9 secs Computing kpt #: 109 total cpu time spent up to now is 67.5 secs Computing kpt #: 110 total cpu time spent up to now is 68.1 secs Computing kpt #: 111 total cpu time spent up to now is 68.7 secs Computing kpt #: 112 total cpu time spent up to now is 69.2 secs Computing kpt #: 113 total cpu time spent up to now is 69.8 secs Computing kpt #: 114 total cpu time spent up to now is 70.4 secs Computing kpt #: 115 total cpu time spent up to now is 70.9 secs Computing kpt #: 116 total cpu time spent up to now is 71.5 secs Computing kpt #: 117 total cpu time spent up to now is 72.0 secs Computing kpt #: 118 total cpu time spent up to now is 72.6 secs Computing kpt #: 119 total cpu time spent up to now is 73.1 secs Computing kpt #: 120 total cpu time spent up to now is 73.7 secs Computing kpt #: 121 total cpu time spent up to now is 74.2 secs Computing kpt #: 122 total cpu time spent up to now is 74.7 secs Computing kpt #: 123 total cpu time spent up to now is 75.3 secs Computing kpt #: 124 total cpu time spent up to now is 75.8 secs Computing kpt #: 125 total cpu time spent up to now is 76.3 secs Computing kpt #: 126 total cpu time spent up to now is 76.8 secs Computing kpt #: 127 total cpu time spent up to now is 77.3 secs Computing kpt #: 128 total cpu time spent up to now is 77.8 secs Computing kpt #: 129 total cpu time spent up to now is 78.3 secs Computing kpt #: 130 total cpu time spent up to now is 78.8 secs Computing kpt #: 131 total cpu time spent up to now is 79.3 secs Computing kpt #: 132 total cpu time spent up to now is 79.9 secs Computing kpt #: 133 total cpu time spent up to now is 80.4 secs Computing kpt #: 134 total cpu time spent up to now is 80.9 secs Computing kpt #: 135 total cpu time spent up to now is 81.4 secs Computing kpt #: 136 total cpu time spent up to now is 81.9 secs Computing kpt #: 137 total cpu time spent up to now is 82.4 secs Computing kpt #: 138 total cpu time spent up to now is 82.9 secs Computing kpt #: 139 total cpu time spent up to now is 83.4 secs Computing kpt #: 140 total cpu time spent up to now is 83.9 secs Computing kpt #: 141 total cpu time spent up to now is 84.4 secs Computing kpt #: 142 total cpu time spent up to now is 85.0 secs Computing kpt #: 143 total cpu time spent up to now is 85.5 secs Computing kpt #: 144 total cpu time spent up to now is 86.0 secs Computing kpt #: 145 total cpu time spent up to now is 86.5 secs Computing kpt #: 146 total cpu time spent up to now is 87.0 secs Computing kpt #: 147 total cpu time spent up to now is 87.5 secs Computing kpt #: 148 total cpu time spent up to now is 88.0 secs Computing kpt #: 149 total cpu time spent up to now is 88.5 secs Computing kpt #: 150 total cpu time spent up to now is 89.0 secs Computing kpt #: 151 total cpu time spent up to now is 89.5 secs Computing kpt #: 152 total cpu time spent up to now is 90.0 secs Computing kpt #: 153 total cpu time spent up to now is 90.6 secs Computing kpt #: 154 total cpu time spent up to now is 91.1 secs Computing kpt #: 155 total cpu time spent up to now is 91.6 secs Computing kpt #: 156 total cpu time spent up to now is 92.1 secs Computing kpt #: 157 total cpu time spent up to now is 92.6 secs Computing kpt #: 158 total cpu time spent up to now is 93.2 secs Computing kpt #: 159 total cpu time spent up to now is 93.7 secs Computing kpt #: 160 total cpu time spent up to now is 94.2 secs Computing kpt #: 161 total cpu time spent up to now is 94.8 secs Computing kpt #: 162 total cpu time spent up to now is 95.3 secs Computing kpt #: 163 total cpu time spent up to now is 95.9 secs Computing kpt #: 164 total cpu time spent up to now is 96.4 secs Computing kpt #: 165 total cpu time spent up to now is 97.0 secs Computing kpt #: 166 total cpu time spent up to now is 97.5 secs Computing kpt #: 167 total cpu time spent up to now is 98.0 secs Computing kpt #: 168 total cpu time spent up to now is 98.6 secs Computing kpt #: 169 total cpu time spent up to now is 99.2 secs Computing kpt #: 170 total cpu time spent up to now is 99.7 secs Computing kpt #: 171 total cpu time spent up to now is 100.3 secs Computing kpt #: 172 total cpu time spent up to now is 100.8 secs Computing kpt #: 173 total cpu time spent up to now is 101.4 secs Computing kpt #: 174 total cpu time spent up to now is 102.0 secs Computing kpt #: 175 total cpu time spent up to now is 102.5 secs Computing kpt #: 176 total cpu time spent up to now is 103.1 secs Computing kpt #: 177 total cpu time spent up to now is 103.7 secs Computing kpt #: 178 total cpu time spent up to now is 104.2 secs Computing kpt #: 179 total cpu time spent up to now is 104.8 secs Computing kpt #: 180 total cpu time spent up to now is 105.4 secs Computing kpt #: 181 total cpu time spent up to now is 106.0 secs Computing kpt #: 182 total cpu time spent up to now is 106.6 secs Computing kpt #: 183 total cpu time spent up to now is 107.1 secs Computing kpt #: 184 total cpu time spent up to now is 107.8 secs Computing kpt #: 185 total cpu time spent up to now is 108.4 secs Computing kpt #: 186 total cpu time spent up to now is 109.0 secs Computing kpt #: 187 total cpu time spent up to now is 109.6 secs Computing kpt #: 188 total cpu time spent up to now is 110.2 secs Computing kpt #: 189 total cpu time spent up to now is 110.8 secs Computing kpt #: 190 total cpu time spent up to now is 111.4 secs Computing kpt #: 191 total cpu time spent up to now is 112.0 secs Computing kpt #: 192 total cpu time spent up to now is 112.5 secs Computing kpt #: 193 total cpu time spent up to now is 113.1 secs Computing kpt #: 194 total cpu time spent up to now is 113.7 secs Computing kpt #: 195 total cpu time spent up to now is 114.3 secs Computing kpt #: 196 total cpu time spent up to now is 114.9 secs Computing kpt #: 197 total cpu time spent up to now is 115.4 secs Computing kpt #: 198 total cpu time spent up to now is 116.0 secs Computing kpt #: 199 total cpu time spent up to now is 116.6 secs Computing kpt #: 200 total cpu time spent up to now is 117.2 secs Computing kpt #: 201 total cpu time spent up to now is 117.7 secs Computing kpt #: 202 total cpu time spent up to now is 118.3 secs Computing kpt #: 203 total cpu time spent up to now is 118.9 secs Computing kpt #: 204 total cpu time spent up to now is 119.5 secs Computing kpt #: 205 total cpu time spent up to now is 120.1 secs Computing kpt #: 206 total cpu time spent up to now is 120.7 secs Computing kpt #: 207 total cpu time spent up to now is 121.3 secs Computing kpt #: 208 total cpu time spent up to now is 122.0 secs Computing kpt #: 209 total cpu time spent up to now is 122.7 secs Computing kpt #: 210 total cpu time spent up to now is 123.3 secs Computing kpt #: 211 total cpu time spent up to now is 123.9 secs Computing kpt #: 212 total cpu time spent up to now is 124.5 secs Computing kpt #: 213 total cpu time spent up to now is 125.0 secs Computing kpt #: 214 total cpu time spent up to now is 125.6 secs Computing kpt #: 215 total cpu time spent up to now is 126.2 secs Computing kpt #: 216 total cpu time spent up to now is 126.7 secs Computing kpt #: 217 total cpu time spent up to now is 127.3 secs Computing kpt #: 218 total cpu time spent up to now is 127.9 secs Computing kpt #: 219 total cpu time spent up to now is 128.5 secs Computing kpt #: 220 total cpu time spent up to now is 129.0 secs Computing kpt #: 221 total cpu time spent up to now is 129.6 secs Computing kpt #: 222 total cpu time spent up to now is 130.2 secs Computing kpt #: 223 total cpu time spent up to now is 130.8 secs Computing kpt #: 224 total cpu time spent up to now is 131.4 secs Computing kpt #: 225 total cpu time spent up to now is 132.1 secs Computing kpt #: 226 total cpu time spent up to now is 132.8 secs Computing kpt #: 227 total cpu time spent up to now is 133.5 secs Computing kpt #: 228 total cpu time spent up to now is 134.1 secs Computing kpt #: 229 total cpu time spent up to now is 134.8 secs Computing kpt #: 230 total cpu time spent up to now is 135.5 secs Computing kpt #: 231 total cpu time spent up to now is 136.2 secs Computing kpt #: 232 total cpu time spent up to now is 136.9 secs Computing kpt #: 233 total cpu time spent up to now is 137.6 secs Computing kpt #: 234 total cpu time spent up to now is 138.3 secs Computing kpt #: 235 total cpu time spent up to now is 139.0 secs Computing kpt #: 236 total cpu time spent up to now is 139.7 secs Computing kpt #: 237 total cpu time spent up to now is 140.4 secs Computing kpt #: 238 total cpu time spent up to now is 140.9 secs Computing kpt #: 239 total cpu time spent up to now is 141.6 secs Computing kpt #: 240 total cpu time spent up to now is 142.2 secs Computing kpt #: 241 total cpu time spent up to now is 142.8 secs Computing kpt #: 242 total cpu time spent up to now is 143.4 secs Computing kpt #: 243 total cpu time spent up to now is 143.9 secs Computing kpt #: 244 total cpu time spent up to now is 144.5 secs Computing kpt #: 245 total cpu time spent up to now is 145.0 secs Computing kpt #: 246 total cpu time spent up to now is 145.6 secs Computing kpt #: 247 total cpu time spent up to now is 146.2 secs Computing kpt #: 248 total cpu time spent up to now is 146.7 secs Computing kpt #: 249 total cpu time spent up to now is 147.3 secs Computing kpt #: 250 total cpu time spent up to now is 147.8 secs Computing kpt #: 251 total cpu time spent up to now is 148.4 secs Computing kpt #: 252 total cpu time spent up to now is 148.9 secs Computing kpt #: 253 total cpu time spent up to now is 149.5 secs Computing kpt #: 254 total cpu time spent up to now is 150.0 secs Computing kpt #: 255 total cpu time spent up to now is 150.6 secs Computing kpt #: 256 total cpu time spent up to now is 151.2 secs Computing kpt #: 257 total cpu time spent up to now is 151.7 secs Computing kpt #: 258 total cpu time spent up to now is 152.3 secs Computing kpt #: 259 total cpu time spent up to now is 152.8 secs Computing kpt #: 260 total cpu time spent up to now is 153.4 secs Computing kpt #: 261 total cpu time spent up to now is 154.0 secs Computing kpt #: 262 total cpu time spent up to now is 154.5 secs Computing kpt #: 263 total cpu time spent up to now is 155.1 secs Computing kpt #: 264 total cpu time spent up to now is 155.7 secs Computing kpt #: 265 total cpu time spent up to now is 156.2 secs Computing kpt #: 266 total cpu time spent up to now is 156.8 secs Computing kpt #: 267 total cpu time spent up to now is 157.4 secs Computing kpt #: 268 total cpu time spent up to now is 157.9 secs Computing kpt #: 269 total cpu time spent up to now is 158.5 secs Computing kpt #: 270 total cpu time spent up to now is 159.1 secs Computing kpt #: 271 total cpu time spent up to now is 159.6 secs Computing kpt #: 272 total cpu time spent up to now is 160.2 secs Computing kpt #: 273 total cpu time spent up to now is 160.7 secs Computing kpt #: 274 total cpu time spent up to now is 161.3 secs Computing kpt #: 275 total cpu time spent up to now is 161.8 secs Computing kpt #: 276 total cpu time spent up to now is 162.4 secs Computing kpt #: 277 total cpu time spent up to now is 162.9 secs Computing kpt #: 278 total cpu time spent up to now is 163.4 secs Computing kpt #: 279 total cpu time spent up to now is 163.9 secs Computing kpt #: 280 total cpu time spent up to now is 164.4 secs Computing kpt #: 281 total cpu time spent up to now is 164.9 secs Computing kpt #: 282 total cpu time spent up to now is 165.5 secs Computing kpt #: 283 total cpu time spent up to now is 166.1 secs Computing kpt #: 284 total cpu time spent up to now is 166.7 secs Computing kpt #: 285 total cpu time spent up to now is 167.3 secs Computing kpt #: 286 total cpu time spent up to now is 167.9 secs Computing kpt #: 287 total cpu time spent up to now is 168.5 secs Computing kpt #: 288 total cpu time spent up to now is 169.0 secs Computing kpt #: 289 total cpu time spent up to now is 169.6 secs Computing kpt #: 290 total cpu time spent up to now is 170.2 secs Computing kpt #: 291 total cpu time spent up to now is 170.8 secs Computing kpt #: 292 total cpu time spent up to now is 171.3 secs Computing kpt #: 293 total cpu time spent up to now is 171.9 secs Computing kpt #: 294 total cpu time spent up to now is 172.5 secs Computing kpt #: 295 total cpu time spent up to now is 173.1 secs Computing kpt #: 296 total cpu time spent up to now is 173.7 secs Computing kpt #: 297 total cpu time spent up to now is 174.4 secs ethr = 2.50E-08, avg # of iterations = 17.6 total cpu time spent up to now is 174.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3827 PWs) bands (ev): -16.4266 -16.4266 -16.4266 -16.4266 -13.4580 -13.4580 -13.4487 -13.4487 -13.4430 -13.4430 -6.0446 -6.0446 -4.2710 -4.2710 -3.9295 -3.9295 -3.8794 -3.8794 -1.7842 -1.7842 -1.7232 -1.7232 -1.6995 -1.6995 -0.8783 -0.8783 2.7219 2.7219 5.3886 5.3886 5.9119 5.9119 6.0227 6.0227 6.4130 6.4130 6.4353 6.4353 8.0198 8.0198 8.1189 8.1189 9.7593 9.7593 10.6554 10.6554 12.5918 12.5918 k = 0.0111-0.0185-0.0112 ( 3823 PWs) bands (ev): -16.4266 -16.4266 -16.4265 -16.4265 -13.4580 -13.4580 -13.4486 -13.4486 -13.4430 -13.4430 -6.0435 -6.0435 -4.2709 -4.2709 -3.9294 -3.9294 -3.8792 -3.8792 -1.7842 -1.7842 -1.7232 -1.7232 -1.6995 -1.6995 -0.8786 -0.8786 2.7193 2.7193 5.3883 5.3883 5.9114 5.9114 6.0220 6.0220 6.4084 6.4084 6.4317 6.4317 8.0144 8.0144 8.1269 8.1269 9.7659 9.7659 10.6606 10.6606 12.5866 12.5866 k = 0.0222-0.0369-0.0224 ( 3821 PWs) bands (ev): -16.4266 -16.4266 -16.4265 -16.4265 -13.4580 -13.4580 -13.4486 -13.4486 -13.4430 -13.4430 -6.0401 -6.0401 -4.2704 -4.2704 -3.9289 -3.9289 -3.8787 -3.8787 -1.7839 -1.7839 -1.7230 -1.7230 -1.6994 -1.6994 -0.8795 -0.8795 2.7115 2.7115 5.3870 5.3870 5.9093 5.9093 6.0200 6.0200 6.3896 6.3896 6.4273 6.4273 7.9972 7.9972 8.1515 8.1515 9.7853 9.7853 10.6762 10.6762 12.5711 12.5711 k = 0.0333-0.0554-0.0336 ( 3818 PWs) bands (ev): -16.4266 -16.4266 -16.4265 -16.4265 -13.4579 -13.4579 -13.4485 -13.4485 -13.4431 -13.4431 -6.0345 -6.0345 -4.2697 -4.2697 -3.9280 -3.9280 -3.8776 -3.8776 -1.7835 -1.7835 -1.7226 -1.7226 -1.6993 -1.6993 -0.8809 -0.8809 2.6988 2.6988 5.3839 5.3839 5.9041 5.9041 6.0176 6.0176 6.3563 6.3563 6.4259 6.4259 7.9681 7.9681 8.1919 8.1919 9.8163 9.8163 10.7018 10.7018 12.5455 12.5455 k = 0.0444-0.0738-0.0448 ( 3811 PWs) bands (ev): -16.4266 -16.4266 -16.4264 -16.4264 -13.4579 -13.4579 -13.4484 -13.4484 -13.4432 -13.4432 -6.0266 -6.0266 -4.2687 -4.2687 -3.9270 -3.9270 -3.8762 -3.8762 -1.7829 -1.7829 -1.7221 -1.7221 -1.6992 -1.6992 -0.8831 -0.8831 2.6816 2.6816 5.3780 5.3780 5.8929 5.8929 6.0152 6.0152 6.3161 6.3161 6.4255 6.4255 7.9285 7.9285 8.2457 8.2457 9.8572 9.8572 10.7370 10.7370 12.5103 12.5103 k = 0.0556-0.0923-0.0560 ( 3804 PWs) bands (ev): -16.4266 -16.4266 -16.4263 -16.4263 -13.4578 -13.4578 -13.4483 -13.4483 -13.4433 -13.4433 -6.0165 -6.0165 -4.2674 -4.2674 -3.9257 -3.9257 -3.8743 -3.8743 -1.7822 -1.7822 -1.7215 -1.7215 -1.6990 -1.6990 -0.8859 -0.8859 2.6603 2.6603 5.3676 5.3676 5.8725 5.8725 6.0122 6.0122 6.2782 6.2782 6.4253 6.4253 7.8804 7.8804 8.3099 8.3099 9.9059 9.9059 10.7808 10.7808 12.4661 12.4661 k = 0.0667-0.1107-0.0672 ( 3802 PWs) bands (ev): -16.4266 -16.4266 -16.4262 -16.4262 -13.4577 -13.4577 -13.4481 -13.4481 -13.4435 -13.4435 -6.0041 -6.0041 -4.2658 -4.2658 -3.9242 -3.9242 -3.8718 -3.8718 -1.7813 -1.7813 -1.7208 -1.7208 -1.6988 -1.6988 -0.8895 -0.8895 2.6355 2.6355 5.3510 5.3510 5.8400 5.8400 6.0057 6.0057 6.2528 6.2528 6.4248 6.4248 7.8257 7.8257 8.3820 8.3820 9.9607 9.9607 10.8323 10.8323 12.4137 12.4137 k = 0.0778-0.1292-0.0784 ( 3812 PWs) bands (ev): -16.4267 -16.4267 -16.4261 -16.4261 -13.4577 -13.4577 -13.4480 -13.4480 -13.4437 -13.4437 -5.9896 -5.9896 -4.2639 -4.2639 -3.9227 -3.9227 -3.8689 -3.8689 -1.7804 -1.7804 -1.7200 -1.7200 -1.6986 -1.6986 -0.8941 -0.8941 2.6080 2.6080 5.3263 5.3263 5.7946 5.7946 5.9934 5.9934 6.2473 6.2473 6.4238 6.4238 7.7660 7.7660 8.4594 8.4594 10.0197 10.0197 10.8896 10.8896 12.3545 12.3545 k = 0.0889-0.1476-0.0896 ( 3814 PWs) bands (ev): -16.4267 -16.4267 -16.4260 -16.4260 -13.4576 -13.4576 -13.4478 -13.4478 -13.4438 -13.4438 -5.9728 -5.9728 -4.2618 -4.2618 -3.9211 -3.9211 -3.8653 -3.8653 -1.7793 -1.7793 -1.7191 -1.7191 -1.6984 -1.6984 -0.8997 -0.8997 2.5784 2.5784 5.2915 5.2915 5.7384 5.7384 5.9761 5.9761 6.2622 6.2622 6.4224 6.4224 7.7028 7.7028 8.5405 8.5405 10.0816 10.0816 10.9505 10.9505 12.2902 12.2902 k = 0.1000-0.1661-0.1008 ( 3814 PWs) bands (ev): -16.4267 -16.4267 -16.4259 -16.4259 -13.4575 -13.4575 -13.4475 -13.4475 -13.4440 -13.4440 -5.9539 -5.9539 -4.2594 -4.2594 -3.9195 -3.9195 -3.8611 -3.8611 -1.7783 -1.7783 -1.7181 -1.7181 -1.6981 -1.6981 -0.9064 -0.9064 2.5475 2.5475 5.2445 5.2445 5.6764 5.6764 5.9568 5.9568 6.2928 6.2928 6.4205 6.4205 7.6373 7.6373 8.6236 8.6236 10.1451 10.1451 11.0120 11.0120 12.2232 12.2232 k = 0.1111-0.1845-0.1120 ( 3817 PWs) bands (ev): -16.4268 -16.4268 -16.4257 -16.4257 -13.4575 -13.4575 -13.4473 -13.4473 -13.4442 -13.4442 -5.9328 -5.9328 -4.2568 -4.2568 -3.9179 -3.9179 -3.8562 -3.8562 -1.7772 -1.7772 -1.7171 -1.7171 -1.6979 -1.6979 -0.9144 -0.9144 2.5159 2.5159 5.1842 5.1842 5.6136 5.6136 5.9372 5.9372 6.3334 6.3334 6.4193 6.4193 7.5705 7.5705 8.7076 8.7076 10.2093 10.2093 11.0699 11.0699 12.1574 12.1574 k = 0.1222-0.2030-0.1232 ( 3821 PWs) bands (ev): -16.4268 -16.4268 -16.4256 -16.4256 -13.4574 -13.4574 -13.4471 -13.4471 -13.4443 -13.4443 -5.9095 -5.9095 -4.2539 -4.2539 -3.9165 -3.9165 -3.8507 -3.8507 -1.7761 -1.7761 -1.7160 -1.7160 -1.6977 -1.6977 -0.9239 -0.9239 2.4844 2.4844 5.1103 5.1103 5.5537 5.5537 5.9181 5.9181 6.3744 6.3744 6.4245 6.4245 7.5033 7.5033 8.7913 8.7913 10.2731 10.2731 11.1187 11.1187 12.0980 12.0980 k = 0.1333-0.2214-0.1344 ( 3821 PWs) bands (ev): -16.4269 -16.4269 -16.4254 -16.4254 -13.4574 -13.4574 -13.4469 -13.4469 -13.4443 -13.4443 -5.8842 -5.8842 -4.2508 -4.2508 -3.9151 -3.9151 -3.8447 -3.8447 -1.7750 -1.7750 -1.7148 -1.7148 -1.6975 -1.6975 -0.9351 -0.9351 2.4536 2.4536 5.0243 5.0243 5.4982 5.4982 5.8994 5.8994 6.3911 6.3911 6.4585 6.4585 7.4365 7.4365 8.8740 8.8740 10.3354 10.3354 11.1521 11.1521 12.0518 12.0518 k = 0.1444-0.2399-0.1456 ( 3812 PWs) bands (ev): -16.4269 -16.4269 -16.4252 -16.4252 -13.4575 -13.4575 -13.4468 -13.4468 -13.4442 -13.4442 -5.8567 -5.8567 -4.2475 -4.2475 -3.9139 -3.9139 -3.8380 -3.8380 -1.7740 -1.7740 -1.7136 -1.7136 -1.6973 -1.6973 -0.9480 -0.9480 2.4243 2.4243 4.9287 4.9287 5.4468 5.4468 5.8813 5.8813 6.3892 6.3892 6.5132 6.5132 7.3707 7.3707 8.9548 8.9548 10.3949 10.3949 11.1641 11.1641 12.0257 12.0257 k = 0.1556-0.2584-0.1568 ( 3810 PWs) bands (ev): -16.4270 -16.4270 -16.4250 -16.4250 -13.4575 -13.4575 -13.4468 -13.4468 -13.4440 -13.4440 -5.8272 -5.8272 -4.2440 -4.2440 -3.9127 -3.9127 -3.8308 -3.8308 -1.7731 -1.7731 -1.7123 -1.7123 -1.6973 -1.6973 -0.9629 -0.9629 2.3969 2.3969 4.8263 4.8263 5.3985 5.3985 5.8635 5.8635 6.3829 6.3829 6.5726 6.5726 7.3069 7.3069 9.0329 9.0329 10.4494 10.4494 11.1528 11.1528 12.0235 12.0235 k = 0.1667-0.2768-0.1680 ( 3811 PWs) bands (ev): -16.4271 -16.4271 -16.4248 -16.4248 -13.4576 -13.4576 -13.4469 -13.4469 -13.4436 -13.4436 -5.7956 -5.7956 -4.2404 -4.2404 -3.9117 -3.9117 -3.8232 -3.8232 -1.7723 -1.7723 -1.7111 -1.7111 -1.6973 -1.6973 -0.9799 -0.9799 2.3721 2.3721 4.7194 4.7194 5.3524 5.3524 5.8460 5.8460 6.3747 6.3747 6.6317 6.6317 7.2461 7.2461 9.1076 9.1076 10.4959 10.4959 11.1230 11.1230 12.0435 12.0435 k = 0.1778-0.2953-0.1792 ( 3804 PWs) bands (ev): -16.4271 -16.4271 -16.4246 -16.4246 -13.4577 -13.4577 -13.4470 -13.4470 -13.4432 -13.4432 -5.7620 -5.7620 -4.2366 -4.2366 -3.9107 -3.9107 -3.8151 -3.8151 -1.7717 -1.7717 -1.7098 -1.7098 -1.6975 -1.6975 -0.9992 -0.9992 2.3503 2.3503 4.6102 4.6102 5.3078 5.3078 5.8288 5.8288 6.3652 6.3652 6.6872 6.6872 7.1900 7.1900 9.1781 9.1781 10.5294 10.5294 11.0859 11.0859 12.0797 12.0797 k = 0.1889-0.3137-0.1904 ( 3794 PWs) bands (ev): -16.4272 -16.4272 -16.4244 -16.4244 -13.4579 -13.4579 -13.4472 -13.4472 -13.4426 -13.4426 -5.7265 -5.7265 -4.2327 -4.2327 -3.9099 -3.9099 -3.8067 -3.8067 -1.7713 -1.7713 -1.7085 -1.7085 -1.6978 -1.6978 -1.0209 -1.0209 2.3319 2.3319 4.5000 4.5000 5.2643 5.2643 5.8118 5.8118 6.3548 6.3548 6.7348 6.7348 7.1413 7.1413 9.2435 9.2435 10.5436 10.5436 11.0554 11.0554 12.1247 12.1247 k = 0.2000-0.3322-0.2017 ( 3790 PWs) bands (ev): -16.4273 -16.4273 -16.4241 -16.4241 -13.4581 -13.4581 -13.4474 -13.4474 -13.4420 -13.4420 -5.6891 -5.6891 -4.2287 -4.2287 -3.9091 -3.9091 -3.7979 -3.7979 -1.7710 -1.7710 -1.7073 -1.7073 -1.6982 -1.6982 -1.0450 -1.0450 2.3174 2.3174 4.3900 4.3900 5.2217 5.2217 5.7950 5.7950 6.3435 6.3435 6.7685 6.7685 7.1048 7.1048 9.3029 9.3029 10.5341 10.5341 11.0430 11.0430 12.1716 12.1716 k = 0.2111-0.3506-0.2129 ( 3788 PWs) bands (ev): -16.4273 -16.4273 -16.4239 -16.4239 -13.4583 -13.4583 -13.4476 -13.4476 -13.4414 -13.4414 -5.6498 -5.6498 -4.2247 -4.2247 -3.9083 -3.9083 -3.7890 -3.7890 -1.7711 -1.7711 -1.7063 -1.7063 -1.6986 -1.6986 -1.0716 -1.0716 2.3070 2.3070 4.2814 4.2814 5.1798 5.1798 5.7784 5.7784 6.3316 6.3316 6.7810 6.7810 7.0858 7.0858 9.3554 9.3554 10.5033 10.5033 11.0517 11.0517 12.2151 12.2151 k = 0.2222-0.3691-0.2241 ( 3794 PWs) bands (ev): -16.4274 -16.4274 -16.4237 -16.4237 -13.4586 -13.4586 -13.4478 -13.4478 -13.4407 -13.4407 -5.6088 -5.6088 -4.2206 -4.2206 -3.9076 -3.9076 -3.7799 -3.7799 -1.7714 -1.7714 -1.7059 -1.7059 -1.6988 -1.6988 -1.1006 -1.1006 2.3009 2.3009 4.1748 4.1748 5.1387 5.1387 5.7619 5.7619 6.3190 6.3190 6.7699 6.7699 7.0855 7.0855 9.4000 9.4000 10.4606 10.4606 11.0771 11.0771 12.2506 12.2506 k = 0.2333-0.3875-0.2353 ( 3790 PWs) bands (ev): -16.4275 -16.4275 -16.4234 -16.4234 -13.4589 -13.4589 -13.4479 -13.4479 -13.4400 -13.4400 -5.5660 -5.5660 -4.2166 -4.2166 -3.9070 -3.9070 -3.7708 -3.7708 -1.7720 -1.7720 -1.7063 -1.7063 -1.6984 -1.6984 -1.1321 -1.1321 2.2991 2.2991 4.0709 4.0709 5.0983 5.0983 5.7457 5.7457 6.3059 6.3059 6.7404 6.7404 7.0966 7.0966 9.4363 9.4363 10.4161 10.4161 11.1125 11.1125 12.2754 12.2754 k = 0.2444-0.4060-0.2465 ( 3786 PWs) bands (ev): -16.4275 -16.4275 -16.4232 -16.4232 -13.4593 -13.4593 -13.4481 -13.4481 -13.4393 -13.4393 -5.5216 -5.5216 -4.2126 -4.2126 -3.9064 -3.9064 -3.7617 -3.7617 -1.7730 -1.7730 -1.7077 -1.7077 -1.6974 -1.6974 -1.1658 -1.1658 2.3016 2.3016 3.9705 3.9705 5.0589 5.0589 5.7295 5.7295 6.2925 6.2925 6.7006 6.7006 7.1095 7.1095 9.4643 9.4643 10.3775 10.3775 11.1528 11.1528 12.2885 12.2885 k = 0.2556-0.4244-0.2577 ( 3785 PWs) bands (ev): -16.4276 -16.4276 -16.4229 -16.4229 -13.4597 -13.4597 -13.4482 -13.4482 -13.4386 -13.4386 -5.4756 -5.4756 -4.2086 -4.2086 -3.9059 -3.9059 -3.7527 -3.7527 -1.7745 -1.7745 -1.7098 -1.7098 -1.6961 -1.6961 -1.2015 -1.2015 2.3084 2.3084 3.8741 3.8741 5.0204 5.0204 5.7136 5.7136 6.2787 6.2787 6.6557 6.6557 7.1169 7.1169 9.4853 9.4853 10.3490 10.3490 11.1946 11.1946 12.2910 12.2910 k = 0.2667-0.4429-0.2689 ( 3780 PWs) bands (ev): -16.4277 -16.4277 -16.4227 -16.4227 -13.4601 -13.4601 -13.4483 -13.4483 -13.4379 -13.4379 -5.4281 -5.4281 -4.2048 -4.2048 -3.9054 -3.9054 -3.7439 -3.7439 -1.7766 -1.7766 -1.7126 -1.7126 -1.6946 -1.6946 -1.2390 -1.2390 2.3191 2.3191 3.7824 3.7824 4.9830 4.9830 5.6977 5.6977 6.2646 6.2646 6.6088 6.6088 7.1145 7.1145 9.5015 9.5015 10.3324 10.3324 11.2359 11.2359 12.2855 12.2855 k = 0.2778-0.4613-0.2801 ( 3789 PWs) bands (ev): -16.4278 -16.4278 -16.4225 -16.4225 -13.4605 -13.4605 -13.4484 -13.4484 -13.4371 -13.4371 -5.3792 -5.3792 -4.2012 -4.2012 -3.9049 -3.9049 -3.7354 -3.7354 -1.7795 -1.7795 -1.7159 -1.7159 -1.6930 -1.6930 -1.2777 -1.2777 2.3334 2.3334 3.6960 3.6960 4.9468 4.9468 5.6820 5.6820 6.2505 6.2505 6.5616 6.5616 7.0997 7.0997 9.5160 9.5160 10.3269 10.3269 11.2755 11.2755 12.2750 12.2750 k = 0.2889-0.4798-0.2913 ( 3789 PWs) bands (ev): -16.4278 -16.4278 -16.4222 -16.4222 -13.4610 -13.4610 -13.4484 -13.4484 -13.4364 -13.4364 -5.3291 -5.3291 -4.1978 -4.1978 -3.9045 -3.9045 -3.7273 -3.7273 -1.7835 -1.7835 -1.7196 -1.7196 -1.6913 -1.6913 -1.3173 -1.3173 2.3506 2.3506 3.6157 3.6157 4.9118 4.9118 5.6664 5.6664 6.2362 6.2362 6.5149 6.5149 7.0713 7.0713 9.5320 9.5320 10.3307 10.3307 11.3123 11.3123 12.2621 12.2621 k = 0.3000-0.4982-0.3025 ( 3791 PWs) bands (ev): -16.4279 -16.4279 -16.4220 -16.4220 -13.4614 -13.4614 -13.4485 -13.4485 -13.4357 -13.4357 -5.2778 -5.2778 -4.1947 -4.1947 -3.9041 -3.9041 -3.7197 -3.7197 -1.7888 -1.7888 -1.7237 -1.7237 -1.6897 -1.6897 -1.3571 -1.3571 2.3699 2.3699 3.5423 3.5423 4.8783 4.8783 5.6508 5.6508 6.2220 6.2220 6.4692 6.4692 7.0290 7.0290 9.5521 9.5521 10.3417 10.3417 11.3460 11.3460 12.2488 12.2488 k = 0.3111-0.5167-0.3137 ( 3785 PWs) bands (ev): -16.4280 -16.4280 -16.4218 -16.4218 -13.4619 -13.4619 -13.4486 -13.4486 -13.4349 -13.4349 -5.2255 -5.2255 -4.1919 -4.1919 -3.9037 -3.9037 -3.7127 -3.7127 -1.7960 -1.7960 -1.7281 -1.7281 -1.6881 -1.6881 -1.3963 -1.3963 2.3904 2.3904 3.4768 3.4768 4.8463 4.8463 5.6350 5.6350 6.2077 6.2077 6.4250 6.4250 6.9737 6.9737 9.5779 9.5779 10.3578 10.3578 11.3762 11.3762 12.2367 12.2367 k = 0.3222-0.5352-0.3249 ( 3788 PWs) bands (ev): -16.4281 -16.4281 -16.4215 -16.4215 -13.4624 -13.4624 -13.4486 -13.4486 -13.4342 -13.4342 -5.1723 -5.1723 -4.1895 -4.1895 -3.9034 -3.9034 -3.7065 -3.7065 -1.8057 -1.8057 -1.7325 -1.7325 -1.6866 -1.6866 -1.4341 -1.4341 2.4109 2.4109 3.4203 3.4203 4.8159 4.8159 5.6191 5.6191 6.1935 6.1935 6.3825 6.3825 6.9067 6.9067 9.6099 9.6099 10.3774 10.3774 11.4026 11.4026 12.2268 12.2268 k = 0.3333-0.5536-0.3361 ( 3784 PWs) bands (ev): -16.4281 -16.4281 -16.4213 -16.4213 -13.4628 -13.4628 -13.4486 -13.4486 -13.4336 -13.4336 -5.1185 -5.1185 -4.1875 -4.1875 -3.9031 -3.9031 -3.7012 -3.7012 -1.8185 -1.8185 -1.7367 -1.7367 -1.6853 -1.6853 -1.4695 -1.4695 2.4298 2.4298 3.3742 3.3742 4.7872 4.7872 5.6027 5.6027 6.1794 6.1794 6.3419 6.3419 6.8302 6.8302 9.6476 9.6476 10.3992 10.3992 11.4254 11.4254 12.2200 12.2200 k = 0.3444-0.5721-0.3473 ( 3782 PWs) bands (ev): -16.4282 -16.4282 -16.4211 -16.4211 -13.4633 -13.4633 -13.4486 -13.4486 -13.4329 -13.4329 -5.0642 -5.0642 -4.1860 -4.1860 -3.9028 -3.9028 -3.6968 -3.6968 -1.8350 -1.8350 -1.7406 -1.7406 -1.6840 -1.6840 -1.5018 -1.5018 2.4458 2.4458 3.3396 3.3396 4.7603 4.7603 5.5857 5.5857 6.1652 6.1652 6.3035 6.3035 6.7463 6.7463 9.6901 9.6901 10.4224 10.4224 11.4445 11.4445 12.2166 12.2166 k = 0.3556-0.5905-0.3585 ( 3776 PWs) bands (ev): -16.4282 -16.4282 -16.4209 -16.4209 -13.4637 -13.4637 -13.4486 -13.4486 -13.4323 -13.4323 -5.0096 -5.0096 -4.1852 -4.1852 -3.9026 -3.9026 -3.6935 -3.6935 -1.8554 -1.8554 -1.7442 -1.7442 -1.6829 -1.6829 -1.5302 -1.5302 2.4572 2.4572 3.3177 3.3177 4.7353 4.7353 5.5676 5.5676 6.1508 6.1508 6.2674 6.2674 6.6577 6.6577 9.7359 9.7359 10.4465 10.4465 11.4602 11.4602 12.2172 12.2172 k = 0.3667-0.6090-0.3697 ( 3779 PWs) bands (ev): -16.4283 -16.4283 -16.4207 -16.4207 -13.4641 -13.4641 -13.4487 -13.4487 -13.4317 -13.4317 -4.9549 -4.9549 -4.1850 -4.1850 -3.9024 -3.9024 -3.6913 -3.6913 -1.8795 -1.8795 -1.7473 -1.7473 -1.6821 -1.6821 -1.5544 -1.5544 2.4633 2.4633 3.3091 3.3091 4.7123 4.7123 5.5480 5.5480 6.1361 6.1361 6.2338 6.2338 6.5668 6.5668 9.7835 9.7835 10.4712 10.4712 11.4727 11.4727 12.2219 12.2219 k = 0.3778-0.6274-0.3809 ( 3773 PWs) bands (ev): -16.4284 -16.4284 -16.4206 -16.4206 -13.4645 -13.4645 -13.4487 -13.4487 -13.4311 -13.4311 -4.9006 -4.9006 -4.1856 -4.1856 -3.9022 -3.9022 -3.6903 -3.6903 -1.9067 -1.9067 -1.7500 -1.7500 -1.6814 -1.6814 -1.5742 -1.5742 2.4635 2.4635 3.3135 3.3135 4.6914 4.6914 5.5263 5.5263 6.1206 6.1206 6.2031 6.2031 6.4765 6.4765 9.8313 9.8313 10.4963 10.4963 11.4823 11.4823 12.2309 12.2309 k = 0.3889-0.6459-0.3921 ( 3775 PWs) bands (ev): -16.4284 -16.4284 -16.4204 -16.4204 -13.4649 -13.4649 -13.4487 -13.4487 -13.4306 -13.4306 -4.8468 -4.8468 -4.1872 -4.1872 -3.9021 -3.9021 -3.6905 -3.6905 -1.9360 -1.9360 -1.7524 -1.7524 -1.6811 -1.6811 -1.5902 -1.5902 2.4583 2.4583 3.3300 3.3300 4.6728 4.6728 5.5019 5.5019 6.1039 6.1039 6.1752 6.1752 6.3899 6.3899 9.8779 9.8779 10.5216 10.5216 11.4895 11.4895 12.2442 12.2442 k = 0.4000-0.6643-0.4033 ( 3775 PWs) bands (ev): -16.4285 -16.4285 -16.4203 -16.4203 -13.4652 -13.4652 -13.4487 -13.4487 -13.4301 -13.4301 -4.7940 -4.7940 -4.1898 -4.1898 -3.9021 -3.9021 -3.6919 -3.6919 -1.9663 -1.9663 -1.7545 -1.7545 -1.6809 -1.6809 -1.6028 -1.6028 2.4487 2.4487 3.3567 3.3567 4.6565 4.6565 5.4739 5.4739 6.0854 6.0854 6.1496 6.1496 6.3105 6.3105 9.9220 9.9220 10.5469 10.5469 11.4946 11.4946 12.2618 12.2618 k = 0.4111-0.6828-0.4145 ( 3775 PWs) bands (ev): -16.4285 -16.4285 -16.4201 -16.4201 -13.4656 -13.4656 -13.4486 -13.4486 -13.4297 -13.4297 -4.7426 -4.7426 -4.1935 -4.1935 -3.9021 -3.9021 -3.6943 -3.6943 -1.9964 -1.9964 -1.7564 -1.7564 -1.6811 -1.6811 -1.6125 -1.6125 2.4362 2.4362 3.3914 3.3914 4.6427 4.6427 5.4418 5.4418 6.0649 6.0649 6.1245 6.1245 6.2431 6.2431 9.9625 9.9625 10.5720 10.5720 11.4980 11.4980 12.2836 12.2836 k = 0.4222-0.7012-0.4257 ( 3776 PWs) bands (ev): -16.4285 -16.4285 -16.4200 -16.4200 -13.4658 -13.4658 -13.4486 -13.4486 -13.4293 -13.4293 -4.6931 -4.6931 -4.1985 -4.1985 -3.9021 -3.9021 -3.6977 -3.6977 -2.0254 -2.0254 -1.7581 -1.7581 -1.6815 -1.6815 -1.6199 -1.6199 2.4220 2.4220 3.4313 3.4313 4.6314 4.6314 5.4053 5.4053 6.0415 6.0415 6.0974 6.0974 6.1929 6.1929 9.9987 9.9987 10.5965 10.5965 11.5000 11.5000 12.3093 12.3093 k = 0.4333-0.7197-0.4369 ( 3776 PWs) bands (ev): -16.4286 -16.4286 -16.4199 -16.4199 -13.4661 -13.4661 -13.4486 -13.4486 -13.4289 -13.4289 -4.6461 -4.6461 -4.2048 -4.2048 -3.9021 -3.9021 -3.7017 -3.7017 -2.0522 -2.0522 -1.7595 -1.7595 -1.6821 -1.6821 -1.6254 -1.6254 2.4075 2.4075 3.4740 3.4740 4.6228 4.6228 5.3649 5.3649 6.0145 6.0145 6.0696 6.0696 6.1611 6.1611 10.0301 10.0301 10.6197 10.6197 11.5011 11.5011 12.3388 12.3388 k = 0.4444-0.7381-0.4481 ( 3774 PWs) bands (ev): -16.4286 -16.4286 -16.4198 -16.4198 -13.4663 -13.4663 -13.4486 -13.4486 -13.4286 -13.4286 -4.6023 -4.6023 -4.2124 -4.2124 -3.9022 -3.9022 -3.7061 -3.7061 -2.0761 -2.0761 -1.7608 -1.7608 -1.6828 -1.6828 -1.6295 -1.6295 2.3937 2.3937 3.5168 3.5168 4.6168 4.6168 5.3220 5.3220 5.9850 5.9850 6.0461 6.0461 6.1422 6.1422 10.0565 10.0565 10.6411 10.6411 11.5015 11.5015 12.3716 12.3716 k = 0.4556-0.7566-0.4593 ( 3771 PWs) bands (ev): -16.4286 -16.4286 -16.4198 -16.4198 -13.4665 -13.4665 -13.4486 -13.4486 -13.4284 -13.4284 -4.5627 -4.5627 -4.2211 -4.2211 -3.9023 -3.9023 -3.7105 -3.7105 -2.0965 -2.0965 -1.7618 -1.7618 -1.6835 -1.6835 -1.6324 -1.6324 2.3815 2.3815 3.5568 3.5568 4.6133 4.6133 5.2793 5.2793 5.9574 5.9574 6.0284 6.0284 6.1304 6.1304 10.0777 10.0777 10.6599 10.6599 11.5014 11.5014 12.4072 12.4072 k = 0.4667-0.7751-0.4705 ( 3767 PWs) bands (ev): -16.4286 -16.4286 -16.4197 -16.4197 -13.4666 -13.4666 -13.4486 -13.4486 -13.4282 -13.4282 -4.5286 -4.5286 -4.2303 -4.2303 -3.9024 -3.9024 -3.7144 -3.7144 -2.1129 -2.1129 -1.7626 -1.7626 -1.6842 -1.6842 -1.6345 -1.6345 2.3714 2.3714 3.5915 3.5915 4.6119 4.6119 5.2400 5.2400 5.9351 5.9351 6.0154 6.0154 6.1226 6.1226 10.0940 10.0940 10.6753 10.6753 11.5012 11.5012 12.4450 12.4450 k = 0.4778-0.7935-0.4817 ( 3771 PWs) bands (ev): -16.4287 -16.4287 -16.4197 -16.4197 -13.4667 -13.4667 -13.4486 -13.4486 -13.4281 -13.4281 -4.5017 -4.5017 -4.2388 -4.2388 -3.9025 -3.9025 -3.7176 -3.7176 -2.1248 -2.1248 -1.7632 -1.7632 -1.6847 -1.6847 -1.6358 -1.6358 2.3639 2.3639 3.6185 3.6185 4.6119 4.6119 5.2081 5.2081 5.9191 5.9191 6.0064 6.0064 6.1176 6.1176 10.1055 10.1055 10.6869 10.6869 11.5009 11.5009 12.4843 12.4843 k = 0.4889-0.8120-0.4929 ( 3768 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4280 -13.4280 -4.4841 -4.4841 -4.2452 -4.2452 -3.9026 -3.9026 -3.7196 -3.7196 -2.1321 -2.1321 -1.7636 -1.7636 -1.6850 -1.6850 -1.6365 -1.6365 2.3593 2.3593 3.6356 3.6356 4.6124 4.6124 5.1872 5.1872 5.9097 5.9097 6.0011 6.0011 6.1147 6.1147 10.1123 10.1123 10.6940 10.6940 11.5007 11.5007 12.5239 12.5239 k = 0.5000-0.8304-0.5041 ( 3768 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4279 -13.4279 -4.4780 -4.4780 -4.2476 -4.2476 -3.9026 -3.9026 -3.7203 -3.7203 -2.1345 -2.1345 -1.7637 -1.7637 -1.6851 -1.6851 -1.6368 -1.6368 2.3578 2.3578 3.6415 3.6415 4.6127 4.6127 5.1799 5.1799 5.9066 5.9066 5.9993 5.9993 6.1138 6.1138 10.1146 10.1146 10.6964 10.6964 11.5006 11.5006 12.5548 12.5548 k = 0.5000-0.8304-0.5041 ( 3768 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4279 -13.4279 -4.4780 -4.4780 -4.2476 -4.2476 -3.9026 -3.9026 -3.7203 -3.7203 -2.1345 -2.1345 -1.7637 -1.7637 -1.6851 -1.6851 -1.6368 -1.6368 2.3578 2.3578 3.6415 3.6415 4.6127 4.6127 5.1799 5.1799 5.9066 5.9066 5.9993 5.9993 6.1138 6.1138 10.1146 10.1146 10.6964 10.6964 11.5006 11.5006 12.5548 12.5548 k = 0.5000-0.8181-0.5244 ( 3768 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4280 -13.4280 -4.4774 -4.4774 -4.2470 -4.2470 -3.9024 -3.9024 -3.7203 -3.7203 -2.1361 -2.1361 -1.7632 -1.7632 -1.6850 -1.6850 -1.6367 -1.6367 2.3587 2.3587 3.6420 3.6420 4.6040 4.6040 5.1821 5.1821 5.8476 5.8476 6.0330 6.0330 6.1470 6.1470 10.1122 10.1122 10.6911 10.6911 11.5011 11.5011 12.5438 12.5438 k = 0.5000-0.8058-0.5447 ( 3764 PWs) bands (ev): -16.4286 -16.4286 -16.4196 -16.4196 -13.4667 -13.4667 -13.4486 -13.4486 -13.4280 -13.4280 -4.4759 -4.4759 -4.2454 -4.2454 -3.9019 -3.9019 -3.7202 -3.7202 -2.1408 -2.1408 -1.7618 -1.7618 -1.6847 -1.6847 -1.6366 -1.6366 2.3613 2.3613 3.6435 3.6435 4.5790 4.5790 5.1882 5.1882 5.7502 5.7502 6.0744 6.0744 6.2260 6.2260 10.1050 10.1050 10.6755 10.6755 11.5025 11.5025 12.5249 12.5249 k = 0.5000-0.7935-0.5650 ( 3774 PWs) bands (ev): -16.4286 -16.4286 -16.4196 -16.4196 -13.4666 -13.4666 -13.4486 -13.4486 -13.4281 -13.4281 -4.4732 -4.4732 -4.2427 -4.2427 -3.9009 -3.9009 -3.7200 -3.7200 -2.1484 -2.1484 -1.7594 -1.7594 -1.6841 -1.6841 -1.6364 -1.6364 2.3657 2.3657 3.6459 3.6459 4.5405 4.5405 5.1970 5.1970 5.6459 5.6459 6.1220 6.1220 6.3190 6.3190 10.0929 10.0929 10.6504 10.6504 11.5048 11.5048 12.5049 12.5049 k = 0.5000-0.7811-0.5853 ( 3782 PWs) bands (ev): -16.4286 -16.4286 -16.4197 -16.4197 -13.4664 -13.4664 -13.4487 -13.4487 -13.4283 -13.4283 -4.4696 -4.4696 -4.2390 -4.2390 -3.8995 -3.8995 -3.7198 -3.7198 -2.1589 -2.1589 -1.7564 -1.7564 -1.6834 -1.6834 -1.6362 -1.6362 2.3718 2.3718 3.6491 3.6491 4.4920 4.4920 5.2070 5.2070 5.5400 5.5400 6.1805 6.1805 6.4141 6.4141 10.0756 10.0756 10.6171 10.6171 11.5080 11.5080 12.4854 12.4854 k = 0.5000-0.7688-0.6056 ( 3780 PWs) bands (ev): -16.4286 -16.4286 -16.4197 -16.4197 -13.4662 -13.4662 -13.4487 -13.4487 -13.4285 -13.4285 -4.4649 -4.4649 -4.2344 -4.2344 -3.8977 -3.8977 -3.7195 -3.7195 -2.1719 -2.1719 -1.7529 -1.7529 -1.6824 -1.6824 -1.6358 -1.6358 2.3795 2.3795 3.6528 3.6528 4.4370 4.4370 5.2163 5.2163 5.4354 5.4354 6.2489 6.2489 6.5076 6.5076 10.0529 10.0529 10.5771 10.5771 11.5120 11.5120 12.4671 12.4671 k = 0.5000-0.7565-0.6259 ( 3774 PWs) bands (ev): -16.4285 -16.4285 -16.4197 -16.4197 -13.4659 -13.4659 -13.4487 -13.4487 -13.4287 -13.4287 -4.4593 -4.4593 -4.2290 -4.2290 -3.8953 -3.8953 -3.7191 -3.7191 -2.1873 -2.1873 -1.7491 -1.7491 -1.6813 -1.6813 -1.6354 -1.6354 2.3889 2.3889 3.6566 3.6566 4.3785 4.3785 5.2185 5.2185 5.3391 5.3391 6.3251 6.3251 6.5979 6.5979 10.0247 10.0247 10.5322 10.5322 11.5167 11.5167 12.4503 12.4503 k = 0.5000-0.7442-0.6462 ( 3770 PWs) bands (ev): -16.4285 -16.4285 -16.4197 -16.4197 -13.4656 -13.4656 -13.4488 -13.4488 -13.4290 -13.4290 -4.4526 -4.4526 -4.2229 -4.2229 -3.8924 -3.8924 -3.7187 -3.7187 -2.2048 -2.2048 -1.7451 -1.7451 -1.6800 -1.6800 -1.6350 -1.6350 2.3997 2.3997 3.6600 3.6600 4.3193 4.3193 5.1804 5.1804 5.2846 5.2846 6.4068 6.4068 6.6839 6.6839 9.9910 9.9910 10.4841 10.4841 11.5221 11.5221 12.4352 12.4352 k = 0.5000-0.7319-0.6665 ( 3774 PWs) bands (ev): -16.4284 -16.4284 -16.4197 -16.4197 -13.4652 -13.4652 -13.4488 -13.4488 -13.4293 -13.4293 -4.4451 -4.4451 -4.2162 -4.2162 -3.8889 -3.8889 -3.7182 -3.7182 -2.2242 -2.2242 -1.7412 -1.7412 -1.6787 -1.6787 -1.6345 -1.6345 2.4120 2.4120 3.6623 3.6623 4.2616 4.2616 5.0918 5.0918 5.2829 5.2829 6.4918 6.4918 6.7647 6.7647 9.9524 9.9524 10.4343 10.4343 11.5281 11.5281 12.4213 12.4213 k = 0.5000-0.7195-0.6867 ( 3776 PWs) bands (ev): -16.4284 -16.4284 -16.4197 -16.4197 -13.4648 -13.4648 -13.4489 -13.4489 -13.4296 -13.4296 -4.4367 -4.4367 -4.2091 -4.2091 -3.8846 -3.8846 -3.7177 -3.7177 -2.2452 -2.2452 -1.7374 -1.7374 -1.6773 -1.6773 -1.6341 -1.6341 2.4256 2.4256 3.6625 3.6625 4.2078 4.2078 4.9930 4.9930 5.2942 5.2942 6.5782 6.5782 6.8396 6.8396 9.9095 9.9095 10.3840 10.3840 11.5347 11.5347 12.4061 12.4061 k = 0.5000-0.7072-0.7070 ( 3776 PWs) bands (ev): -16.4283 -16.4283 -16.4198 -16.4198 -13.4644 -13.4644 -13.4490 -13.4490 -13.4299 -13.4299 -4.4274 -4.4274 -4.2017 -4.2017 -3.8795 -3.8795 -3.7171 -3.7171 -2.2677 -2.2677 -1.7338 -1.7338 -1.6759 -1.6759 -1.6337 -1.6337 2.4403 2.4403 3.6594 3.6594 4.1599 4.1599 4.8943 4.8943 5.3090 5.3090 6.6640 6.6640 6.9077 6.9077 9.8635 9.8635 10.3343 10.3343 11.5416 11.5416 12.3840 12.3840 k = 0.5000-0.6949-0.7273 ( 3778 PWs) bands (ev): -16.4282 -16.4282 -16.4198 -16.4198 -13.4639 -13.4639 -13.4491 -13.4491 -13.4303 -13.4303 -4.4173 -4.4173 -4.1944 -4.1944 -3.8735 -3.8735 -3.7164 -3.7164 -2.2914 -2.2914 -1.7305 -1.7305 -1.6745 -1.6745 -1.6333 -1.6333 2.4560 2.4560 3.6519 3.6519 4.1198 4.1198 4.7980 4.7980 5.3255 5.3255 6.7476 6.7476 6.9681 6.9681 9.8161 9.8161 10.2860 10.2860 11.5489 11.5489 12.3536 12.3536 k = 0.5000-0.6826-0.7476 ( 3784 PWs) bands (ev): -16.4282 -16.4282 -16.4198 -16.4198 -13.4634 -13.4634 -13.4492 -13.4492 -13.4306 -13.4306 -4.4065 -4.4065 -4.1873 -4.1873 -3.8666 -3.8666 -3.7156 -3.7156 -2.3162 -2.3162 -1.7274 -1.7274 -1.6733 -1.6733 -1.6331 -1.6331 2.4724 2.4724 3.6390 3.6390 4.0888 4.0888 4.7055 4.7055 5.3433 5.3433 6.8273 6.8273 7.0203 7.0203 9.7691 9.7691 10.2400 10.2400 11.5565 11.5565 12.3205 12.3205 k = 0.5000-0.6703-0.7679 ( 3784 PWs) bands (ev): -16.4281 -16.4281 -16.4198 -16.4198 -13.4629 -13.4629 -13.4493 -13.4493 -13.4310 -13.4310 -4.3950 -4.3950 -4.1806 -4.1806 -3.8586 -3.8586 -3.7148 -3.7148 -2.3419 -2.3419 -1.7245 -1.7245 -1.6722 -1.6722 -1.6330 -1.6330 2.4892 2.4892 3.6203 3.6203 4.0673 4.0673 4.6179 4.6179 5.3622 5.3622 6.9013 6.9013 7.0633 7.0633 9.7246 9.7246 10.1969 10.1969 11.5642 11.5642 12.2878 12.2878 k = 0.5000-0.6580-0.7882 ( 3784 PWs) bands (ev): -16.4280 -16.4280 -16.4199 -16.4199 -13.4624 -13.4624 -13.4495 -13.4495 -13.4313 -13.4313 -4.3829 -4.3829 -4.1746 -4.1746 -3.8496 -3.8496 -3.7138 -3.7138 -2.3681 -2.3681 -1.7219 -1.7219 -1.6712 -1.6712 -1.6332 -1.6332 2.5062 2.5062 3.5965 3.5965 4.0544 4.0544 4.5366 4.5366 5.3819 5.3819 6.9681 6.9681 7.0965 7.0965 9.6845 9.6845 10.1575 10.1575 11.5719 11.5719 12.2563 12.2563 k = 0.5000-0.6456-0.8085 ( 3778 PWs) bands (ev): -16.4280 -16.4280 -16.4199 -16.4199 -13.4618 -13.4618 -13.4497 -13.4497 -13.4317 -13.4317 -4.3702 -4.3702 -4.1695 -4.1695 -3.8396 -3.8396 -3.7128 -3.7128 -2.3948 -2.3948 -1.7195 -1.7195 -1.6704 -1.6704 -1.6336 -1.6336 2.5229 2.5229 3.5692 3.5692 4.0477 4.0477 4.4634 4.4634 5.4024 5.4024 7.0262 7.0262 7.1195 7.1195 9.6508 9.6508 10.1227 10.1227 11.5797 11.5797 12.2263 12.2263 k = 0.5000-0.6333-0.8288 ( 3776 PWs) bands (ev): -16.4279 -16.4279 -16.4199 -16.4199 -13.4612 -13.4612 -13.4499 -13.4499 -13.4320 -13.4320 -4.3570 -4.3570 -4.1654 -4.1654 -3.8286 -3.8286 -3.7117 -3.7117 -2.4215 -2.4215 -1.7173 -1.7173 -1.6698 -1.6698 -1.6344 -1.6344 2.5390 2.5390 3.5399 3.5399 4.0439 4.0439 4.4010 4.4010 5.4235 5.4235 7.0737 7.0737 7.1321 7.1321 9.6252 9.6252 10.0933 10.0933 11.5873 11.5873 12.1975 12.1975 k = 0.5000-0.6210-0.8491 ( 3780 PWs) bands (ev): -16.4278 -16.4278 -16.4199 -16.4199 -13.4607 -13.4607 -13.4501 -13.4501 -13.4323 -13.4323 -4.3435 -4.3435 -4.1625 -4.1625 -3.8170 -3.8170 -3.7104 -3.7104 -2.4480 -2.4480 -1.7153 -1.7153 -1.6693 -1.6693 -1.6354 -1.6354 2.5537 2.5537 3.5104 3.5104 4.0388 4.0388 4.3526 4.3526 5.4452 5.4452 7.1079 7.1079 7.1360 7.1360 9.6093 9.6093 10.0700 10.0700 11.5946 11.5946 12.1699 12.1699 k = 0.5000-0.6087-0.8694 ( 3782 PWs) bands (ev): -16.4278 -16.4278 -16.4199 -16.4199 -13.4601 -13.4601 -13.4504 -13.4504 -13.4326 -13.4326 -4.3296 -4.3296 -4.1610 -4.1610 -3.8048 -3.8048 -3.7089 -3.7089 -2.4740 -2.4740 -1.7134 -1.7134 -1.6690 -1.6690 -1.6368 -1.6368 2.5666 2.5666 3.4822 3.4822 4.0284 4.0284 4.3220 4.3220 5.4673 5.4673 7.1149 7.1149 7.1442 7.1442 9.6039 9.6039 10.0534 10.0534 11.6015 11.6015 12.1433 12.1433 k = 0.5000-0.5964-0.8897 ( 3784 PWs) bands (ev): -16.4277 -16.4277 -16.4200 -16.4200 -13.4596 -13.4596 -13.4507 -13.4507 -13.4328 -13.4328 -4.3154 -4.3154 -4.1609 -4.1609 -3.7926 -3.7926 -3.7072 -3.7072 -2.4990 -2.4990 -1.7117 -1.7117 -1.6688 -1.6688 -1.6385 -1.6385 2.5769 2.5769 3.4563 3.4563 4.0108 4.0108 4.3106 4.3106 5.4896 5.4896 7.0964 7.0964 7.1550 7.1550 9.6096 9.6096 10.0437 10.0437 11.6078 11.6078 12.1178 12.1178 k = 0.5000-0.5840-0.9100 ( 3776 PWs) bands (ev): -16.4277 -16.4277 -16.4200 -16.4200 -13.4590 -13.4590 -13.4510 -13.4510 -13.4330 -13.4330 -4.3010 -4.3010 -4.1625 -4.1625 -3.7807 -3.7807 -3.7052 -3.7052 -2.5225 -2.5225 -1.7102 -1.7102 -1.6688 -1.6688 -1.6405 -1.6405 2.5841 2.5841 3.4336 3.4336 3.9883 3.9883 4.3162 4.3162 5.5119 5.5119 7.0652 7.0652 7.1563 7.1563 9.6263 9.6263 10.0412 10.0412 11.6133 11.6133 12.0934 12.0934 k = 0.5000-0.5717-0.9302 ( 3764 PWs) bands (ev): -16.4277 -16.4277 -16.4200 -16.4200 -13.4585 -13.4585 -13.4513 -13.4513 -13.4332 -13.4332 -4.2866 -4.2866 -4.1656 -4.1656 -3.7696 -3.7696 -3.7027 -3.7027 -2.5441 -2.5441 -1.7088 -1.7088 -1.6689 -1.6689 -1.6427 -1.6427 2.5874 2.5874 3.4149 3.4149 3.9651 3.9651 4.3348 4.3348 5.5340 5.5340 7.0238 7.0238 7.1472 7.1472 9.6533 9.6533 10.0457 10.0457 11.6177 11.6177 12.0706 12.0706 k = 0.5000-0.5594-0.9505 ( 3768 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4581 -13.4581 -13.4516 -13.4516 -13.4334 -13.4334 -4.2721 -4.2721 -4.1705 -4.1705 -3.7600 -3.7600 -3.6998 -3.6998 -2.5632 -2.5632 -1.7075 -1.7075 -1.6692 -1.6692 -1.6451 -1.6451 2.5863 2.5863 3.4008 3.4008 3.9448 3.9448 4.3626 4.3626 5.5556 5.5556 6.9732 6.9732 7.1285 7.1285 9.6898 9.6898 10.0571 10.0571 11.6205 11.6205 12.0497 12.0497 k = 0.5000-0.5471-0.9708 ( 3768 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4577 -13.4577 -13.4518 -13.4518 -13.4335 -13.4335 -4.2578 -4.2578 -4.1772 -4.1772 -3.7522 -3.7522 -3.6964 -3.6964 -2.5792 -2.5792 -1.7064 -1.7064 -1.6696 -1.6696 -1.6477 -1.6477 2.5804 2.5804 3.3917 3.3917 3.9299 3.9299 4.3971 4.3971 5.5766 5.5766 6.9146 6.9146 7.1016 7.1016 9.7343 9.7343 10.0749 10.0749 11.6214 11.6214 12.0312 12.0312 k = 0.5000-0.5348-0.9911 ( 3772 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4573 -13.4573 -13.4521 -13.4521 -13.4335 -13.4335 -4.2435 -4.2435 -4.1858 -4.1858 -3.7466 -3.7466 -3.6928 -3.6928 -2.5915 -2.5915 -1.7054 -1.7054 -1.6702 -1.6702 -1.6502 -1.6502 2.5698 2.5698 3.3878 3.3878 3.9219 3.9219 4.4367 4.4367 5.5964 5.5964 6.8489 6.8489 7.0681 7.0681 9.7854 9.7854 10.0986 10.0986 11.6200 11.6200 12.0159 12.0159 k = 0.5000-0.5225-1.0114 ( 3782 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4571 -13.4571 -13.4522 -13.4522 -13.4336 -13.4336 -4.2295 -4.2295 -4.1963 -4.1963 -3.7430 -3.7430 -3.6894 -3.6894 -2.5995 -2.5995 -1.7045 -1.7045 -1.6711 -1.6711 -1.6527 -1.6527 2.5547 2.5547 3.3891 3.3891 3.9212 3.9212 4.4804 4.4804 5.6149 5.6149 6.7772 6.7772 7.0298 7.0298 9.8414 9.8414 10.1275 10.1275 11.6158 11.6158 12.0042 12.0042 k = 0.5000-0.5101-1.0317 ( 3790 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4570 -13.4570 -13.4523 -13.4523 -13.4336 -13.4336 -4.2162 -4.2162 -4.2087 -4.2087 -3.7412 -3.7412 -3.6869 -3.6869 -2.6028 -2.6028 -1.7038 -1.7038 -1.6722 -1.6722 -1.6549 -1.6549 2.5356 2.5356 3.3954 3.3954 3.9282 3.9282 4.5276 4.5276 5.6316 5.6316 6.7006 6.7006 6.9882 6.9882 9.9008 9.9008 10.1612 10.1612 11.6087 11.6087 11.9968 11.9968 k = 0.5000-0.4978-1.0520 ( 3788 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4571 -13.4571 -13.4523 -13.4523 -13.4336 -13.4336 -4.2245 -4.2245 -4.2021 -4.2021 -3.7412 -3.7412 -3.6856 -3.6856 -2.6010 -2.6010 -1.7033 -1.7033 -1.6737 -1.6737 -1.6567 -1.6567 2.5132 2.5132 3.4066 3.4066 3.9424 3.9424 4.5779 4.5779 5.6460 5.6460 6.6201 6.6201 6.9450 6.9450 9.9620 9.9620 10.1990 10.1990 11.5986 11.5986 11.9940 11.9940 k = 0.5000-0.4855-1.0723 ( 3784 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4572 -13.4572 -13.4522 -13.4522 -13.4336 -13.4336 -4.2420 -4.2420 -4.1893 -4.1893 -3.7426 -3.7426 -3.6858 -3.6858 -2.5938 -2.5938 -1.7028 -1.7028 -1.6756 -1.6756 -1.6581 -1.6581 2.4884 2.4884 3.4222 3.4222 3.9635 3.9635 4.6310 4.6310 5.6578 5.6578 6.5367 6.5367 6.9017 6.9017 10.0237 10.0237 10.2402 10.2402 11.5861 11.5861 11.9957 11.9957 k = 0.5000-0.4732-1.0926 ( 3782 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4575 -13.4575 -13.4520 -13.4520 -13.4335 -13.4335 -4.2622 -4.2622 -4.1768 -4.1768 -3.7455 -3.7455 -3.6875 -3.6875 -2.5812 -2.5812 -1.7025 -1.7025 -1.6778 -1.6778 -1.6590 -1.6590 2.4620 2.4620 3.4418 3.4418 3.9910 3.9910 4.6867 4.6867 5.6664 5.6664 6.4513 6.4513 6.8596 6.8596 10.0846 10.0846 10.2840 10.2840 11.5719 11.5719 12.0017 12.0017 k = 0.8157-0.3855-0.9239 ( 3782 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4575 -13.4575 -13.4520 -13.4520 -13.4335 -13.4335 -4.2622 -4.2622 -4.1768 -4.1768 -3.7455 -3.7455 -3.6875 -3.6875 -2.5812 -2.5812 -1.7025 -1.7025 -1.6778 -1.6778 -1.6590 -1.6590 2.4620 2.4620 3.4418 3.4418 3.9910 3.9910 4.6867 4.6867 5.6664 5.6664 6.4513 6.4513 6.8596 6.8596 10.0846 10.0846 10.2840 10.2840 11.5719 11.5719 12.0017 12.0017 k = 0.8093-0.3748-0.9033 ( 3784 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4578 -13.4578 -13.4518 -13.4518 -13.4335 -13.4335 -4.2855 -4.2855 -4.1648 -4.1648 -3.7498 -3.7498 -3.6906 -3.6906 -2.5630 -2.5630 -1.7023 -1.7023 -1.6802 -1.6802 -1.6594 -1.6594 2.4345 2.4345 3.4654 3.4654 4.0246 4.0246 4.7456 4.7456 5.6715 5.6715 6.3636 6.3636 6.8197 6.8197 10.1443 10.1443 10.3303 10.3303 11.5566 11.5566 12.0116 12.0116 k = 0.8028-0.3641-0.8828 ( 3784 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4581 -13.4581 -13.4515 -13.4515 -13.4334 -13.4334 -4.3118 -4.3118 -4.1533 -4.1533 -3.7555 -3.7555 -3.6948 -3.6948 -2.5395 -2.5395 -1.7021 -1.7021 -1.6826 -1.6826 -1.6594 -1.6594 2.4070 2.4070 3.4924 3.4924 4.0633 4.0633 4.8069 4.8069 5.6725 5.6725 6.2755 6.2755 6.7834 6.7834 10.2009 10.2009 10.3775 10.3775 11.5418 11.5418 12.0247 12.0247 k = 0.7964-0.3534-0.8622 ( 3786 PWs) bands (ev): -16.4277 -16.4277 -16.4200 -16.4200 -13.4585 -13.4585 -13.4512 -13.4512 -13.4334 -13.4334 -4.3411 -4.3411 -4.1425 -4.1425 -3.7625 -3.7625 -3.6996 -3.6996 -2.5111 -2.5111 -1.7020 -1.7020 -1.6851 -1.6851 -1.6590 -1.6590 2.3803 2.3803 3.5223 3.5223 4.1065 4.1065 4.8702 4.8702 5.6692 5.6692 6.1881 6.1881 6.7519 6.7519 10.2536 10.2536 10.4245 10.4245 11.5287 11.5287 12.0401 12.0401 k = 0.7900-0.3427-0.8416 ( 3780 PWs) bands (ev): -16.4277 -16.4277 -16.4200 -16.4200 -13.4588 -13.4588 -13.4509 -13.4509 -13.4334 -13.4334 -4.3735 -4.3735 -4.1325 -4.1325 -3.7706 -3.7706 -3.7050 -3.7050 -2.4783 -2.4783 -1.7020 -1.7020 -1.6873 -1.6873 -1.6582 -1.6582 2.3549 2.3549 3.5549 3.5549 4.1534 4.1534 4.9356 4.9356 5.6616 5.6616 6.1021 6.1021 6.7256 6.7256 10.3012 10.3012 10.4705 10.4705 11.5187 11.5187 12.0566 12.0566 k = 0.7835-0.3320-0.8210 ( 3784 PWs) bands (ev): -16.4277 -16.4277 -16.4201 -16.4201 -13.4592 -13.4592 -13.4507 -13.4507 -13.4333 -13.4333 -4.4089 -4.4089 -4.1231 -4.1231 -3.7796 -3.7796 -3.7108 -3.7108 -2.4417 -2.4417 -1.7020 -1.7020 -1.6893 -1.6893 -1.6569 -1.6569 2.3312 2.3312 3.5896 3.5896 4.2034 4.2034 5.0026 5.0026 5.6497 5.6497 6.0187 6.0187 6.7049 6.7049 10.3426 10.3426 10.5146 10.5146 11.5129 11.5129 12.0730 12.0730 k = 0.7771-0.3213-0.8005 ( 3788 PWs) bands (ev): -16.4277 -16.4277 -16.4201 -16.4201 -13.4595 -13.4595 -13.4504 -13.4504 -13.4333 -13.4333 -4.4471 -4.4471 -4.1146 -4.1146 -3.7891 -3.7891 -3.7169 -3.7169 -2.4018 -2.4018 -1.7023 -1.7023 -1.6908 -1.6908 -1.6550 -1.6550 2.3096 2.3096 3.6262 3.6262 4.2557 4.2557 5.0709 5.0709 5.6340 5.6340 5.9389 5.9389 6.6899 6.6899 10.3765 10.3765 10.5567 10.5567 11.5126 11.5126 12.0875 12.0875 k = 0.7706-0.3106-0.7799 ( 3786 PWs) bands (ev): -16.4277 -16.4277 -16.4202 -16.4202 -13.4598 -13.4598 -13.4502 -13.4502 -13.4333 -13.4333 -4.4881 -4.4881 -4.1069 -4.1069 -3.7987 -3.7987 -3.7234 -3.7234 -2.3592 -2.3592 -1.7028 -1.7028 -1.6917 -1.6917 -1.6523 -1.6523 2.2904 2.2904 3.6642 3.6642 4.3097 4.3097 5.1398 5.1398 5.6149 5.6149 5.8643 5.8643 6.6804 6.6804 10.4013 10.4013 10.5968 10.5968 11.5185 11.5185 12.0984 12.0984 k = 0.7642-0.2999-0.7593 ( 3786 PWs) bands (ev): -16.4278 -16.4278 -16.4202 -16.4202 -13.4601 -13.4601 -13.4499 -13.4499 -13.4334 -13.4334 -4.5315 -4.5315 -4.1001 -4.1001 -3.8084 -3.8084 -3.7302 -3.7302 -2.3146 -2.3146 -1.7037 -1.7037 -1.6919 -1.6919 -1.6486 -1.6486 2.2738 2.2738 3.7032 3.7032 4.3646 4.3646 5.2080 5.2080 5.5932 5.5932 5.7971 5.7971 6.6759 6.6759 10.4159 10.4159 10.6353 10.6353 11.5307 11.5307 12.1034 12.1034 k = 0.7577-0.2891-0.7387 ( 3786 PWs) bands (ev): -16.4278 -16.4278 -16.4203 -16.4203 -13.4603 -13.4603 -13.4497 -13.4497 -13.4334 -13.4334 -4.5772 -4.5772 -4.0942 -4.0942 -3.8178 -3.8178 -3.7375 -3.7375 -2.2687 -2.2687 -1.7049 -1.7049 -1.6917 -1.6917 -1.6434 -1.6434 2.2599 2.2599 3.7427 3.7427 4.4197 4.4197 5.2730 5.2730 5.5698 5.5698 5.7408 5.7408 6.6760 6.6760 10.4198 10.4198 10.6723 10.6723 11.5490 11.5490 12.1007 12.1007 k = 0.7513-0.2784-0.7182 ( 3778 PWs) bands (ev): -16.4278 -16.4278 -16.4204 -16.4204 -13.4605 -13.4605 -13.4495 -13.4495 -13.4335 -13.4335 -4.6248 -4.6248 -4.0893 -4.0893 -3.8269 -3.8269 -3.7451 -3.7451 -2.2222 -2.2222 -1.7062 -1.7062 -1.6912 -1.6912 -1.6363 -1.6363 2.2487 2.2487 3.7821 3.7821 4.4741 4.4741 5.3289 5.3289 5.5473 5.5473 5.7005 5.7005 6.6799 6.6799 10.4132 10.4132 10.7075 10.7075 11.5723 11.5723 12.0892 12.0892 k = 0.7449-0.2677-0.6976 ( 3778 PWs) bands (ev): -16.4278 -16.4278 -16.4205 -16.4205 -13.4607 -13.4607 -13.4493 -13.4493 -13.4337 -13.4337 -4.6740 -4.6740 -4.0854 -4.0854 -3.8356 -3.8356 -3.7531 -3.7531 -2.1759 -2.1759 -1.7077 -1.7077 -1.6905 -1.6905 -1.6267 -1.6267 2.2402 2.2402 3.8211 3.8211 4.5268 4.5268 5.3645 5.3645 5.5313 5.5313 5.6841 5.6841 6.6872 6.6872 10.3969 10.3969 10.7404 10.7404 11.5990 11.5990 12.0690 12.0690 k = 0.7384-0.2570-0.6770 ( 3778 PWs) bands (ev): -16.4278 -16.4278 -16.4206 -16.4206 -13.4608 -13.4608 -13.4492 -13.4492 -13.4338 -13.4338 -4.7245 -4.7245 -4.0826 -4.0826 -3.8438 -3.8438 -3.7614 -3.7614 -2.1306 -2.1306 -1.7091 -1.7091 -1.6900 -1.6900 -1.6139 -1.6139 2.2344 2.2344 3.8591 3.8591 4.5765 4.5765 5.3705 5.3705 5.5248 5.5248 5.7001 5.7001 6.6973 6.6973 10.3721 10.3721 10.7705 10.7705 11.6267 11.6267 12.0420 12.0420 k = 0.7320-0.2463-0.6564 ( 3772 PWs) bands (ev): -16.4278 -16.4278 -16.4207 -16.4207 -13.4609 -13.4609 -13.4490 -13.4490 -13.4341 -13.4341 -4.7760 -4.7760 -4.0810 -4.0810 -3.8515 -3.8515 -3.7699 -3.7699 -2.0873 -2.0873 -1.7106 -1.7106 -1.6897 -1.6897 -1.5973 -1.5973 2.2310 2.2310 3.8957 3.8957 4.6218 4.6218 5.3565 5.3565 5.5216 5.5216 5.7475 5.7475 6.7096 6.7096 10.3400 10.3400 10.7968 10.7968 11.6515 11.6515 12.0125 12.0125 k = 0.7255-0.2356-0.6359 ( 3772 PWs) bands (ev): -16.4278 -16.4278 -16.4208 -16.4208 -13.4610 -13.4610 -13.4489 -13.4489 -13.4343 -13.4343 -4.8283 -4.8283 -4.0805 -4.0805 -3.8588 -3.8588 -3.7785 -3.7785 -2.0469 -2.0469 -1.7119 -1.7119 -1.6897 -1.6897 -1.5763 -1.5763 2.2299 2.2299 3.9303 3.9303 4.6612 4.6612 5.3383 5.3383 5.5194 5.5194 5.8152 5.8152 6.7239 6.7239 10.3015 10.3015 10.8188 10.8188 11.6677 11.6677 11.9869 11.9869 k = 0.7191-0.2249-0.6153 ( 3772 PWs) bands (ev): -16.4278 -16.4278 -16.4210 -16.4210 -13.4610 -13.4610 -13.4487 -13.4487 -13.4346 -13.4346 -4.8810 -4.8810 -4.0814 -4.0814 -3.8656 -3.8656 -3.7871 -3.7871 -2.0102 -2.0102 -1.7132 -1.7132 -1.6899 -1.6899 -1.5503 -1.5503 2.2309 2.2309 3.9627 3.9627 4.6930 4.6930 5.3253 5.3253 5.5202 5.5202 5.8939 5.8939 6.7397 6.7397 10.2576 10.2576 10.8356 10.8356 11.6681 11.6681 11.9737 11.9737 k = 0.7126-0.2142-0.5947 ( 3768 PWs) bands (ev): -16.4278 -16.4278 -16.4211 -16.4211 -13.4609 -13.4609 -13.4486 -13.4486 -13.4349 -13.4349 -4.9340 -4.9340 -4.0837 -4.0837 -3.8720 -3.8720 -3.7957 -3.7957 -1.9776 -1.9776 -1.7144 -1.7144 -1.6903 -1.6903 -1.5192 -1.5192 2.2337 2.2337 3.9927 3.9927 4.7164 4.7164 5.3218 5.3218 5.5258 5.5258 5.9790 5.9790 6.7568 6.7568 10.2091 10.2091 10.8464 10.8464 11.6482 11.6482 11.9780 11.9780 k = 0.7062-0.2035-0.5741 ( 3770 PWs) bands (ev): -16.4278 -16.4278 -16.4213 -16.4213 -13.4609 -13.4609 -13.4485 -13.4485 -13.4353 -13.4353 -4.9870 -4.9870 -4.0875 -4.0875 -3.8779 -3.8779 -3.8039 -3.8039 -1.9493 -1.9493 -1.7156 -1.7156 -1.6909 -1.6909 -1.4830 -1.4830 2.2379 2.2379 4.0202 4.0202 4.7311 4.7311 5.3294 5.3294 5.5373 5.5373 6.0680 6.0680 6.7751 6.7751 10.1566 10.1566 10.8505 10.8505 11.6112 11.6112 11.9974 11.9974 k = 0.6997-0.1928-0.5535 ( 3768 PWs) bands (ev): -16.4278 -16.4278 -16.4214 -16.4214 -13.4607 -13.4607 -13.4484 -13.4484 -13.4357 -13.4357 -5.0397 -5.0397 -4.0929 -4.0929 -3.8834 -3.8834 -3.8118 -3.8118 -1.9253 -1.9253 -1.7166 -1.7166 -1.6918 -1.6918 -1.4421 -1.4421 2.2432 2.2432 4.0453 4.0453 4.7386 4.7386 5.3476 5.3476 5.5551 5.5551 6.1597 6.1597 6.7944 6.7944 10.1006 10.1006 10.8471 10.8471 11.5637 11.5637 12.0254 12.0254 k = 0.6933-0.1821-0.5330 ( 3768 PWs) bands (ev): -16.4277 -16.4277 -16.4216 -16.4216 -13.4606 -13.4606 -13.4483 -13.4483 -13.4361 -13.4361 -5.0921 -5.0921 -4.0998 -4.0998 -3.8885 -3.8885 -3.8192 -3.8192 -1.9052 -1.9052 -1.7176 -1.7176 -1.6928 -1.6928 -1.3973 -1.3973 2.2492 2.2492 4.0685 4.0685 4.7411 4.7411 5.3744 5.3744 5.5791 5.5791 6.2533 6.2533 6.8146 6.8146 10.0415 10.0415 10.8354 10.8354 11.5115 11.5115 12.0554 12.0554 k = 0.6869-0.1714-0.5124 ( 3758 PWs) bands (ev): -16.4277 -16.4277 -16.4218 -16.4218 -13.4604 -13.4604 -13.4482 -13.4482 -13.4366 -13.4366 -5.1439 -5.1439 -4.1084 -4.1084 -3.8931 -3.8931 -3.8260 -3.8260 -1.8882 -1.8882 -1.7185 -1.7185 -1.6940 -1.6940 -1.3495 -1.3495 2.2556 2.2556 4.0901 4.0901 4.7409 4.7409 5.4075 5.4075 5.6093 5.6093 6.3481 6.3481 6.8358 6.8358 9.9796 9.9796 10.8152 10.8152 11.4584 11.4584 12.0826 12.0826 k = 0.6804-0.1607-0.4918 ( 3762 PWs) bands (ev): -16.4277 -16.4277 -16.4220 -16.4220 -13.4602 -13.4602 -13.4481 -13.4481 -13.4371 -13.4371 -5.1950 -5.1950 -4.1185 -4.1185 -3.8972 -3.8972 -3.8323 -3.8323 -1.8740 -1.8740 -1.7193 -1.7193 -1.6952 -1.6952 -1.2994 -1.2994 2.2620 2.2620 4.1109 4.1109 4.7405 4.7405 5.4449 5.4449 5.6451 5.6451 6.4437 6.4437 6.8580 6.8580 9.9151 9.9151 10.7863 10.7863 11.4066 11.4066 12.1033 12.1033 k = 0.6740-0.1500-0.4712 ( 3762 PWs) bands (ev): -16.4276 -16.4276 -16.4222 -16.4222 -13.4600 -13.4600 -13.4480 -13.4480 -13.4376 -13.4376 -5.2451 -5.2451 -4.1301 -4.1301 -3.9009 -3.9009 -3.8379 -3.8379 -1.8619 -1.8619 -1.7200 -1.7200 -1.6966 -1.6966 -1.2479 -1.2479 2.2679 2.2679 4.1316 4.1316 4.7415 4.7415 5.4849 5.4849 5.6856 5.6856 6.5395 6.5395 6.8812 6.8812 9.8484 9.8484 10.7490 10.7490 11.3572 11.3572 12.1164 12.1164 k = 0.6675-0.1393-0.4507 ( 3766 PWs) bands (ev): -16.4276 -16.4276 -16.4224 -16.4224 -13.4598 -13.4598 -13.4479 -13.4479 -13.4381 -13.4381 -5.2943 -5.2943 -4.1430 -4.1430 -3.9042 -3.9042 -3.8430 -3.8430 -1.8515 -1.8515 -1.7206 -1.7206 -1.6980 -1.6980 -1.1956 -1.1956 2.2731 2.2731 4.1529 4.1529 4.7454 4.7454 5.5263 5.5263 5.7298 5.7298 6.6351 6.6351 6.9054 6.9054 9.7795 9.7795 10.7044 10.7044 11.3106 11.3106 12.1232 12.1232 k = 0.6611-0.1286-0.4301 ( 3774 PWs) bands (ev): -16.4276 -16.4276 -16.4226 -16.4226 -13.4595 -13.4595 -13.4478 -13.4478 -13.4387 -13.4387 -5.3423 -5.3423 -4.1572 -4.1572 -3.9072 -3.9072 -3.8475 -3.8475 -1.8425 -1.8425 -1.7211 -1.7211 -1.6995 -1.6995 -1.1432 -1.1432 2.2772 2.2772 4.1757 4.1757 4.7532 4.7532 5.5682 5.5682 5.7766 5.7766 6.7298 6.7298 6.9308 6.9308 9.7089 9.7089 10.6535 10.6535 11.2664 11.2664 12.1258 12.1258 k = 0.6546-0.1179-0.4095 ( 3778 PWs) bands (ev): -16.4275 -16.4275 -16.4228 -16.4228 -13.4593 -13.4593 -13.4477 -13.4477 -13.4393 -13.4393 -5.3892 -5.3892 -4.1724 -4.1724 -3.9097 -3.9097 -3.8514 -3.8514 -1.8346 -1.8346 -1.7216 -1.7216 -1.7010 -1.7010 -1.0912 -1.0912 2.2801 2.2801 4.2006 4.2006 4.7656 4.7656 5.6103 5.6103 5.8248 5.8248 6.8230 6.8230 6.9574 6.9574 9.6367 9.6367 10.5981 10.5981 11.2242 11.2242 12.1264 12.1264 k = 0.6482-0.1072-0.3889 ( 3780 PWs) bands (ev): -16.4275 -16.4275 -16.4231 -16.4231 -13.4590 -13.4590 -13.4476 -13.4476 -13.4398 -13.4398 -5.4346 -5.4346 -4.1884 -4.1884 -3.9120 -3.9120 -3.8548 -3.8548 -1.8277 -1.8277 -1.7220 -1.7220 -1.7024 -1.7024 -1.0400 -1.0400 2.2814 2.2814 4.2284 4.2284 4.7830 4.7830 5.6521 5.6521 5.8734 5.8734 6.9136 6.9136 6.9856 6.9856 9.5634 9.5634 10.5398 10.5398 11.1832 11.1832 12.1267 12.1267 k = 0.6418-0.0965-0.3684 ( 3778 PWs) bands (ev): -16.4274 -16.4274 -16.4233 -16.4233 -13.4588 -13.4588 -13.4475 -13.4475 -13.4404 -13.4404 -5.4787 -5.4787 -4.2051 -4.2051 -3.9140 -3.9140 -3.8579 -3.8579 -1.8214 -1.8214 -1.7222 -1.7222 -1.7039 -1.7039 -0.9901 -0.9901 2.2812 2.2812 4.2594 4.2594 4.8058 4.8058 5.6934 5.6934 5.9212 5.9212 6.9948 6.9948 7.0213 7.0213 9.4893 9.4893 10.4800 10.4800 11.1431 11.1431 12.1278 12.1278 k = 0.6353-0.0858-0.3478 ( 3776 PWs) bands (ev): -16.4274 -16.4274 -16.4235 -16.4235 -13.4585 -13.4585 -13.4473 -13.4473 -13.4410 -13.4410 -5.5212 -5.5212 -4.2223 -4.2223 -3.9158 -3.9158 -3.8605 -3.8605 -1.8159 -1.8159 -1.7224 -1.7224 -1.7053 -1.7053 -0.9417 -0.9417 2.2793 2.2793 4.2941 4.2941 4.8341 4.8341 5.7338 5.7338 5.9674 5.9674 7.0356 7.0356 7.0945 7.0945 9.4149 9.4149 10.4202 10.4202 11.1033 11.1033 12.1303 12.1303 k = 0.6289-0.0751-0.3272 ( 3784 PWs) bands (ev): -16.4273 -16.4273 -16.4237 -16.4237 -13.4583 -13.4583 -13.4472 -13.4472 -13.4416 -13.4416 -5.5621 -5.5621 -4.2397 -4.2397 -3.9173 -3.9173 -3.8628 -3.8628 -1.8109 -1.8109 -1.7224 -1.7224 -1.7067 -1.7067 -0.8950 -0.8950 2.2757 2.2757 4.3328 4.3328 4.8680 4.8680 5.7734 5.7734 6.0114 6.0114 7.0644 7.0644 7.1754 7.1754 9.3410 9.3410 10.3618 10.3618 11.0637 11.0637 12.1347 12.1347 k = 0.6224-0.0644-0.3066 ( 3788 PWs) bands (ev): -16.4273 -16.4273 -16.4240 -16.4240 -13.4581 -13.4581 -13.4471 -13.4471 -13.4422 -13.4422 -5.6015 -5.6015 -4.2572 -4.2572 -3.9187 -3.9187 -3.8647 -3.8647 -1.8064 -1.8064 -1.7223 -1.7223 -1.7079 -1.7079 -0.8504 -0.8504 2.2707 2.2707 4.3756 4.3756 4.9075 4.9075 5.8117 5.8117 6.0526 6.0526 7.0908 7.0908 7.2526 7.2526 9.2684 9.2684 10.3059 10.3059 11.0244 11.0244 12.1410 12.1410 k = 0.6160-0.0537-0.2860 ( 3786 PWs) bands (ev): -16.4272 -16.4272 -16.4242 -16.4242 -13.4579 -13.4579 -13.4469 -13.4469 -13.4427 -13.4427 -5.6390 -5.6390 -4.2747 -4.2747 -3.9200 -3.9200 -3.8664 -3.8664 -1.8025 -1.8025 -1.7221 -1.7221 -1.7091 -1.7091 -0.8079 -0.8079 2.2643 2.2643 4.4227 4.4227 4.9525 4.9525 5.8489 5.8489 6.0907 6.0907 7.1145 7.1145 7.3248 7.3248 9.1979 9.1979 10.2537 10.2537 10.9856 10.9856 12.1488 12.1488 k = 0.6095-0.0430-0.2655 ( 3788 PWs) bands (ev): -16.4271 -16.4271 -16.4244 -16.4244 -13.4578 -13.4578 -13.4468 -13.4468 -13.4432 -13.4432 -5.6749 -5.6749 -4.2919 -4.2919 -3.9211 -3.9211 -3.8679 -3.8679 -1.7990 -1.7990 -1.7217 -1.7217 -1.7101 -1.7101 -0.7678 -0.7678 2.2566 2.2566 4.4741 4.4741 5.0026 5.0026 5.8848 5.8848 6.1254 6.1254 7.1340 7.1340 7.3907 7.3907 9.1306 9.1306 10.2064 10.2064 10.9477 10.9477 12.1578 12.1578 k = 0.6031-0.0323-0.2449 ( 3794 PWs) bands (ev): -16.4271 -16.4271 -16.4246 -16.4246 -13.4576 -13.4576 -13.4466 -13.4466 -13.4437 -13.4437 -5.7089 -5.7089 -4.3089 -4.3089 -3.9221 -3.9221 -3.8692 -3.8692 -1.7960 -1.7960 -1.7213 -1.7213 -1.7109 -1.7109 -0.7301 -0.7301 2.2480 2.2480 4.5296 4.5296 5.0577 5.0577 5.9193 5.9193 6.1567 6.1567 7.1479 7.1479 7.4496 7.4496 9.0678 9.0678 10.1649 10.1649 10.9110 10.9110 12.1668 12.1668 k = 0.5967-0.0216-0.2243 ( 3794 PWs) bands (ev): -16.4270 -16.4270 -16.4248 -16.4248 -13.4575 -13.4575 -13.4465 -13.4465 -13.4441 -13.4441 -5.7410 -5.7410 -4.3254 -4.3254 -3.9231 -3.9231 -3.8702 -3.8702 -1.7934 -1.7934 -1.7209 -1.7209 -1.7114 -1.7114 -0.6949 -0.6949 2.2385 2.2385 4.5892 4.5892 5.1173 5.1173 5.9524 5.9524 6.1846 6.1846 7.1546 7.1546 7.5004 7.5004 9.0105 9.0105 10.1304 10.1304 10.8762 10.8762 12.1747 12.1747 k = 0.5902-0.0109-0.2037 ( 3788 PWs) bands (ev): -16.4270 -16.4270 -16.4250 -16.4250 -13.4575 -13.4575 -13.4465 -13.4465 -13.4443 -13.4443 -5.7713 -5.7713 -4.3413 -4.3413 -3.9239 -3.9239 -3.8712 -3.8712 -1.7912 -1.7912 -1.7205 -1.7205 -1.7116 -1.7116 -0.6623 -0.6623 2.2285 2.2285 4.6527 4.6527 5.1810 5.1810 5.9842 5.9842 6.2093 6.2093 7.1525 7.1525 7.5423 7.5423 8.9599 8.9599 10.1036 10.1036 10.8439 10.8439 12.1798 12.1798 k = 0.5838-0.0002-0.1832 ( 3792 PWs) bands (ev): -16.4269 -16.4269 -16.4252 -16.4252 -13.4574 -13.4574 -13.4466 -13.4466 -13.4445 -13.4445 -5.7996 -5.7996 -4.3565 -4.3565 -3.9247 -3.9247 -3.8720 -3.8720 -1.7895 -1.7895 -1.7202 -1.7202 -1.7115 -1.7115 -0.6322 -0.6322 2.2182 2.2182 4.7198 4.7198 5.2481 5.2481 6.0147 6.0147 6.2310 6.2310 7.1402 7.1402 7.5745 7.5745 8.9168 8.9168 10.0852 10.0852 10.8147 10.8147 12.1801 12.1801 k = 0.5773 0.0105-0.1626 ( 3796 PWs) bands (ev): -16.4269 -16.4269 -16.4254 -16.4254 -13.4574 -13.4574 -13.4468 -13.4468 -13.4445 -13.4445 -5.8259 -5.8259 -4.3710 -4.3710 -3.9255 -3.9255 -3.8726 -3.8726 -1.7881 -1.7881 -1.7201 -1.7201 -1.7109 -1.7109 -0.6047 -0.6047 2.2077 2.2077 4.7902 4.7902 5.3182 5.3182 6.0440 6.0440 6.2499 6.2499 7.1170 7.1170 7.5963 7.5963 8.8817 8.8817 10.0757 10.0757 10.7893 10.7893 12.1736 12.1736 k = 0.5709 0.0212-0.1420 ( 3786 PWs) bands (ev): -16.4268 -16.4268 -16.4256 -16.4256 -13.4574 -13.4574 -13.4470 -13.4470 -13.4444 -13.4444 -5.8502 -5.8502 -4.3846 -4.3846 -3.9261 -3.9261 -3.8732 -3.8732 -1.7869 -1.7869 -1.7202 -1.7202 -1.7100 -1.7100 -0.5797 -0.5797 2.1974 2.1974 4.8635 4.8635 5.3905 5.3905 6.0723 6.0723 6.2663 6.2663 7.0827 7.0827 7.6074 7.6074 8.8547 8.8547 10.0750 10.0750 10.7687 10.7687 12.1581 12.1581 k = 0.5644 0.0319-0.1214 ( 3792 PWs) bands (ev): -16.4268 -16.4268 -16.4257 -16.4257 -13.4575 -13.4575 -13.4472 -13.4472 -13.4442 -13.4442 -5.8725 -5.8725 -4.3973 -4.3973 -3.9267 -3.9267 -3.8737 -3.8737 -1.7861 -1.7861 -1.7204 -1.7204 -1.7088 -1.7088 -0.5572 -0.5572 2.1873 2.1873 4.9391 4.9391 5.4641 5.4641 6.0998 6.0998 6.2804 6.2804 7.0374 7.0374 7.6078 7.6078 8.8353 8.8353 10.0824 10.0824 10.7536 10.7536 12.1324 12.1324 k = 0.5580 0.0426-0.1009 ( 3790 PWs) bands (ev): -16.4267 -16.4267 -16.4259 -16.4259 -13.4575 -13.4575 -13.4475 -13.4475 -13.4440 -13.4440 -5.8928 -5.8928 -4.4089 -4.4089 -3.9273 -3.9273 -3.8741 -3.8741 -1.7855 -1.7855 -1.7207 -1.7207 -1.7075 -1.7075 -0.5371 -0.5371 2.1777 2.1777 5.0163 5.0163 5.5384 5.5384 6.1267 6.1267 6.2925 6.2925 6.9822 6.9822 7.5981 7.5981 8.8228 8.8228 10.0969 10.0969 10.7452 10.7452 12.0956 12.0956 k = 0.5515 0.0533-0.0803 ( 3790 PWs) bands (ev): -16.4267 -16.4267 -16.4260 -16.4260 -13.4576 -13.4576 -13.4477 -13.4477 -13.4438 -13.4438 -5.9109 -5.9109 -4.4195 -4.4195 -3.9278 -3.9278 -3.8744 -3.8744 -1.7851 -1.7851 -1.7210 -1.7210 -1.7061 -1.7061 -0.5194 -0.5194 2.1687 2.1687 5.0942 5.0942 5.6123 5.6123 6.1531 6.1531 6.3029 6.3029 6.9183 6.9183 7.5794 7.5794 8.8159 8.8159 10.1166 10.1166 10.7445 10.7445 12.0480 12.0480 k = 0.5451 0.0640-0.0597 ( 3798 PWs) bands (ev): -16.4267 -16.4267 -16.4261 -16.4261 -13.4577 -13.4577 -13.4479 -13.4479 -13.4437 -13.4437 -5.9270 -5.9270 -4.4290 -4.4290 -3.9282 -3.9282 -3.8747 -3.8747 -1.7848 -1.7848 -1.7213 -1.7213 -1.7048 -1.7048 -0.5039 -0.5039 2.1605 2.1605 5.1717 5.1717 5.6850 5.6850 6.1793 6.1793 6.3116 6.3116 6.8473 6.8473 7.5532 7.5532 8.8134 8.8134 10.1393 10.1393 10.7527 10.7527 11.9910 11.9910 k = 0.5387 0.0747-0.0391 ( 3802 PWs) bands (ev): -16.4266 -16.4266 -16.4262 -16.4262 -13.4577 -13.4577 -13.4481 -13.4481 -13.4435 -13.4435 -5.9409 -5.9409 -4.4373 -4.4373 -3.9286 -3.9286 -3.8750 -3.8750 -1.7846 -1.7846 -1.7215 -1.7215 -1.7035 -1.7035 -0.4907 -0.4907 2.1531 2.1531 5.2471 5.2471 5.7557 5.7557 6.2052 6.2052 6.3191 6.3191 6.7710 6.7710 7.5216 7.5216 8.8139 8.8139 10.1624 10.1624 10.7703 10.7703 11.9264 11.9264 k = 0.5322 0.0854-0.0186 ( 3796 PWs) bands (ev): -16.4266 -16.4266 -16.4263 -16.4263 -13.4578 -13.4578 -13.4483 -13.4483 -13.4433 -13.4433 -5.9528 -5.9528 -4.4444 -4.4444 -3.9289 -3.9289 -3.8751 -3.8751 -1.7845 -1.7845 -1.7218 -1.7218 -1.7023 -1.7023 -0.4797 -0.4797 2.1467 2.1467 5.3185 5.3185 5.8240 5.8240 6.2303 6.2303 6.3255 6.3255 6.6918 6.6918 7.4870 7.4870 8.8163 8.8163 10.1839 10.1839 10.7973 10.7973 11.8572 11.8572 k = 0.5258 0.0961 0.0020 ( 3806 PWs) bands (ev): -16.4266 -16.4266 -16.4264 -16.4264 -13.4579 -13.4579 -13.4484 -13.4484 -13.4432 -13.4432 -5.9625 -5.9625 -4.4503 -4.4503 -3.9291 -3.9291 -3.8753 -3.8753 -1.7845 -1.7845 -1.7220 -1.7220 -1.7013 -1.7013 -0.4708 -0.4708 2.1413 2.1413 5.3834 5.3834 5.8895 5.8895 6.2533 6.2533 6.3312 6.3312 6.6120 6.6120 7.4522 7.4522 8.8195 8.8195 10.2020 10.2020 10.8319 10.8319 11.7868 11.7868 k = 0.5193 0.1068 0.0226 ( 3800 PWs) bands (ev): -16.4266 -16.4266 -16.4265 -16.4265 -13.4579 -13.4579 -13.4485 -13.4485 -13.4431 -13.4431 -5.9700 -5.9700 -4.4548 -4.4548 -3.9293 -3.9293 -3.8754 -3.8754 -1.7845 -1.7845 -1.7221 -1.7221 -1.7005 -1.7005 -0.4639 -0.4639 2.1371 2.1371 5.4385 5.4385 5.9519 5.9519 6.2716 6.2716 6.3367 6.3367 6.5356 6.5356 7.4203 7.4203 8.8229 8.8229 10.2160 10.2160 10.8707 10.8707 11.7199 11.7199 k = 0.5129 0.1175 0.0432 ( 3808 PWs) bands (ev): -16.4266 -16.4266 -16.4265 -16.4265 -13.4580 -13.4580 -13.4486 -13.4486 -13.4430 -13.4430 -5.9754 -5.9754 -4.4581 -4.4581 -3.9295 -3.9295 -3.8755 -3.8755 -1.7845 -1.7845 -1.7222 -1.7222 -1.6999 -1.6999 -0.4590 -0.4590 2.1340 2.1340 5.4809 5.4809 6.0097 6.0097 6.2813 6.2813 6.3423 6.3423 6.4687 6.4687 7.3945 7.3945 8.8257 8.8257 10.2258 10.2258 10.9080 10.9080 11.6627 11.6627 k = 0.5064 0.1282 0.0638 ( 3822 PWs) bands (ev): -16.4265 -16.4265 -16.4265 -16.4265 -13.4580 -13.4580 -13.4486 -13.4486 -13.4430 -13.4430 -5.9787 -5.9787 -4.4601 -4.4601 -3.9296 -3.9296 -3.8755 -3.8755 -1.7845 -1.7845 -1.7223 -1.7223 -1.6995 -1.6995 -0.4561 -0.4561 2.1321 2.1321 5.5076 5.5076 6.0566 6.0566 6.2798 6.2798 6.3470 6.3470 6.4221 6.4221 7.3776 7.3776 8.8275 8.8275 10.2314 10.2314 10.9357 10.9357 11.6231 11.6231 k = 0.5000 0.1389 0.0843 ( 3822 PWs) bands (ev): -16.4265 -16.4265 -16.4265 -16.4265 -13.4580 -13.4580 -13.4486 -13.4486 -13.4430 -13.4430 -5.9797 -5.9797 -4.4608 -4.4608 -3.9296 -3.9296 -3.8755 -3.8755 -1.7845 -1.7845 -1.7223 -1.7223 -1.6994 -1.6994 -0.4551 -0.4551 2.1315 2.1315 5.5167 5.5167 6.0766 6.0766 6.2753 6.2753 6.3488 6.3488 6.4059 6.4059 7.3717 7.3717 8.8281 8.8281 10.2333 10.2333 10.9462 10.9462 11.6087 11.6087 k = 0.5000 0.1389 0.0843 ( 3822 PWs) bands (ev): -16.4265 -16.4265 -16.4265 -16.4265 -13.4580 -13.4580 -13.4486 -13.4486 -13.4430 -13.4430 -5.9797 -5.9797 -4.4608 -4.4608 -3.9296 -3.9296 -3.8755 -3.8755 -1.7845 -1.7845 -1.7223 -1.7223 -1.6994 -1.6994 -0.4551 -0.4551 2.1315 2.1315 5.5167 5.5167 6.0766 6.0766 6.2753 6.2753 6.3488 6.3488 6.4059 6.4059 7.3717 7.3717 8.8281 8.8281 10.2333 10.2333 10.9462 10.9462 11.6087 11.6087 k = 0.4773 0.1326 0.0805 ( 3822 PWs) bands (ev): -16.4265 -16.4265 -16.4265 -16.4265 -13.4580 -13.4580 -13.4486 -13.4486 -13.4430 -13.4430 -5.9801 -5.9801 -4.4598 -4.4598 -3.9296 -3.9296 -3.8755 -3.8755 -1.7845 -1.7845 -1.7223 -1.7223 -1.6994 -1.6994 -0.4575 -0.4575 2.1346 2.1346 5.5162 5.5162 6.0762 6.0762 6.2754 6.2754 6.3493 6.3493 6.4034 6.4034 7.3744 7.3744 8.8255 8.8255 10.2299 10.2299 10.9445 10.9445 11.6142 11.6142 k = 0.4545 0.1263 0.0767 ( 3795 PWs) bands (ev): -16.4265 -16.4265 -16.4265 -16.4265 -13.4580 -13.4580 -13.4486 -13.4486 -13.4430 -13.4430 -5.9812 -5.9812 -4.4570 -4.4570 -3.9296 -3.9296 -3.8756 -3.8756 -1.7845 -1.7845 -1.7223 -1.7223 -1.6994 -1.6994 -0.4647 -0.4647 2.1439 2.1439 5.5148 5.5148 6.0752 6.0752 6.2757 6.2757 6.3509 6.3509 6.3959 6.3959 7.3824 7.3824 8.8175 8.8175 10.2199 10.2199 10.9394 10.9394 11.6306 11.6306 k = 0.4318 0.1200 0.0728 ( 3786 PWs) bands (ev): -16.4265 -16.4265 -16.4265 -16.4265 -13.4580 -13.4580 -13.4486 -13.4486 -13.4430 -13.4430 -5.9829 -5.9829 -4.4524 -4.4524 -3.9296 -3.9296 -3.8756 -3.8756 -1.7845 -1.7845 -1.7223 -1.7223 -1.6994 -1.6994 -0.4765 -0.4765 2.1591 2.1591 5.5124 5.5124 6.0735 6.0735 6.2755 6.2755 6.3534 6.3534 6.3844 6.3844 7.3955 7.3955 8.8045 8.8045 10.2039 10.2039 10.9311 10.9311 11.6573 11.6573 k = 0.4091 0.1137 0.0690 ( 3786 PWs) bands (ev): -16.4265 -16.4265 -16.4265 -16.4265 -13.4580 -13.4580 -13.4486 -13.4486 -13.4430 -13.4430 -5.9853 -5.9853 -4.4460 -4.4460 -3.9296 -3.9296 -3.8757 -3.8757 -1.7845 -1.7845 -1.7224 -1.7224 -1.6994 -1.6994 -0.4925 -0.4925 2.1799 2.1799 5.5091 5.5091 6.0712 6.0712 6.2739 6.2739 6.3568 6.3568 6.3705 6.3705 7.4131 7.4131 8.7867 8.7867 10.1826 10.1826 10.9199 10.9199 11.6933 11.6933 k = 0.3864 0.1073 0.0652 ( 3789 PWs) bands (ev): -16.4265 -16.4265 -16.4265 -16.4265 -13.4580 -13.4580 -13.4486 -13.4486 -13.4430 -13.4430 -5.9882 -5.9882 -4.4381 -4.4381 -3.9296 -3.9296 -3.8759 -3.8759 -1.7844 -1.7844 -1.7224 -1.7224 -1.6994 -1.6994 -0.5122 -0.5122 2.2057 2.2057 5.5050 5.5050 6.0684 6.0684 6.2687 6.2687 6.3568 6.3568 6.3609 6.3609 7.4347 7.4347 8.7643 8.7643 10.1570 10.1570 10.9060 10.9060 11.7374 11.7374 k = 0.3636 0.1010 0.0613 ( 3798 PWs) bands (ev): -16.4266 -16.4266 -16.4265 -16.4265 -13.4580 -13.4580 -13.4486 -13.4486 -13.4430 -13.4430 -5.9917 -5.9917 -4.4287 -4.4287 -3.9296 -3.9296 -3.8760 -3.8760 -1.7844 -1.7844 -1.7224 -1.7224 -1.6994 -1.6994 -0.5352 -0.5352 2.2359 2.2359 5.5000 5.5000 6.0652 6.0652 6.2571 6.2571 6.3469 6.3469 6.3657 6.3657 7.4598 7.4598 8.7378 8.7378 10.1280 10.1280 10.8899 10.8899 11.7886 11.7886 k = 0.3409 0.0947 0.0575 ( 3804 PWs) bands (ev): -16.4266 -16.4266 -16.4266 -16.4266 -13.4580 -13.4580 -13.4487 -13.4487 -13.4430 -13.4430 -5.9956 -5.9956 -4.4180 -4.4180 -3.9296 -3.9296 -3.8762 -3.8762 -1.7844 -1.7844 -1.7225 -1.7225 -1.6994 -1.6994 -0.5609 -0.5609 2.2699 2.2699 5.4942 5.4942 6.0617 6.0617 6.2379 6.2379 6.3426 6.3426 6.3711 6.3711 7.4878 7.4878 8.7076 8.7076 10.0967 10.0967 10.8720 10.8720 11.8455 11.8455 k = 0.3182 0.0884 0.0537 ( 3798 PWs) bands (ev): -16.4266 -16.4266 -16.4266 -16.4266 -13.4580 -13.4580 -13.4487 -13.4487 -13.4430 -13.4430 -5.9998 -5.9998 -4.4063 -4.4063 -3.9296 -3.9296 -3.8764 -3.8764 -1.7844 -1.7844 -1.7225 -1.7225 -1.6994 -1.6994 -0.5886 -0.5886 2.3070 2.3070 5.4877 5.4877 6.0580 6.0580 6.2125 6.2125 6.3432 6.3432 6.3768 6.3768 7.5182 7.5182 8.6743 8.6743 10.0638 10.0638 10.8526 10.8526 11.9070 11.9070 k = 0.2955 0.0821 0.0498 ( 3798 PWs) bands (ev): -16.4266 -16.4266 -16.4266 -16.4266 -13.4580 -13.4580 -13.4487 -13.4487 -13.4430 -13.4430 -6.0042 -6.0042 -4.3938 -4.3938 -3.9296 -3.9296 -3.8766 -3.8766 -1.7844 -1.7844 -1.7226 -1.7226 -1.6994 -1.6994 -0.6177 -0.6177 2.3464 2.3464 5.4804 5.4804 6.0542 6.0542 6.1833 6.1833 6.3470 6.3470 6.3828 6.3828 7.5506 7.5506 8.6381 8.6381 10.0303 10.0303 10.8324 10.8324 11.9717 11.9717 k = 0.2727 0.0758 0.0460 ( 3798 PWs) bands (ev): -16.4266 -16.4266 -16.4266 -16.4266 -13.4580 -13.4580 -13.4487 -13.4487 -13.4430 -13.4430 -6.0088 -6.0088 -4.3806 -4.3806 -3.9296 -3.9296 -3.8768 -3.8768 -1.7844 -1.7844 -1.7226 -1.7226 -1.6994 -1.6994 -0.6476 -0.6476 2.3873 2.3873 5.4726 5.4726 6.0503 6.0503 6.1521 6.1521 6.3525 6.3525 6.3889 6.3889 7.5847 7.5847 8.5997 8.5997 9.9967 9.9967 10.8117 10.8117 12.0386 12.0386 k = 0.2500 0.0695 0.0422 ( 3795 PWs) bands (ev): -16.4266 -16.4266 -16.4266 -16.4266 -13.4580 -13.4580 -13.4487 -13.4487 -13.4430 -13.4430 -6.0134 -6.0134 -4.3672 -4.3672 -3.9296 -3.9296 -3.8771 -3.8771 -1.7844 -1.7844 -1.7227 -1.7227 -1.6994 -1.6994 -0.6776 -0.6776 2.4289 2.4289 5.4642 5.4642 6.0465 6.0465 6.1203 6.1203 6.3591 6.3591 6.3950 6.3950 7.6202 7.6202 8.5594 8.5594 9.9638 9.9638 10.7910 10.7910 12.1065 12.1065 k = 0.2273 0.0631 0.0383 ( 3795 PWs) bands (ev): -16.4266 -16.4266 -16.4266 -16.4266 -13.4580 -13.4580 -13.4487 -13.4487 -13.4430 -13.4430 -6.0180 -6.0180 -4.3537 -4.3537 -3.9296 -3.9296 -3.8773 -3.8773 -1.7843 -1.7843 -1.7227 -1.7227 -1.6995 -1.6995 -0.7073 -0.7073 2.4704 2.4704 5.4554 5.4554 6.0428 6.0428 6.0888 6.0888 6.3662 6.3662 6.4010 6.4010 7.6569 7.6569 8.5176 8.5176 9.9321 9.9321 10.7707 10.7707 12.1742 12.1742 k = 0.2045 0.0568 0.0345 ( 3816 PWs) bands (ev): -16.4266 -16.4266 -16.4266 -16.4266 -13.4580 -13.4580 -13.4487 -13.4487 -13.4430 -13.4430 -6.0224 -6.0224 -4.3405 -4.3405 -3.9296 -3.9296 -3.8776 -3.8776 -1.7843 -1.7843 -1.7228 -1.7228 -1.6995 -1.6995 -0.7359 -0.7359 2.5111 2.5111 5.4463 5.4463 6.0393 6.0393 6.0584 6.0584 6.3734 6.3734 6.4068 6.4068 7.6944 7.6944 8.4746 8.4746 9.9020 9.9020 10.7511 10.7511 12.2406 12.2406 k = 0.1818 0.0505 0.0307 ( 3822 PWs) bands (ev): -16.4266 -16.4266 -16.4266 -16.4266 -13.4580 -13.4580 -13.4487 -13.4487 -13.4430 -13.4430 -6.0266 -6.0266 -4.3277 -4.3277 -3.9295 -3.9295 -3.8779 -3.8779 -1.7843 -1.7843 -1.7229 -1.7229 -1.6995 -1.6995 -0.7630 -0.7630 2.5501 2.5501 5.4370 5.4370 6.0298 6.0298 6.0361 6.0361 6.3806 6.3806 6.4123 6.4123 7.7328 7.7328 8.4309 8.4309 9.8740 9.8740 10.7327 10.7327 12.3046 12.3046 k = 0.1591 0.0442 0.0268 ( 3822 PWs) bands (ev): -16.4266 -16.4266 -16.4266 -16.4266 -13.4580 -13.4580 -13.4487 -13.4487 -13.4430 -13.4430 -6.0305 -6.0305 -4.3156 -4.3156 -3.9295 -3.9295 -3.8782 -3.8782 -1.7843 -1.7843 -1.7230 -1.7230 -1.6995 -1.6995 -0.7882 -0.7882 2.5867 2.5867 5.4278 5.4278 6.0035 6.0035 6.0331 6.0331 6.3874 6.3874 6.4173 6.4173 7.7718 7.7718 8.3868 8.3868 9.8484 9.8484 10.7157 10.7157 12.3649 12.3649 k = 0.1364 0.0379 0.0230 ( 3816 PWs) bands (ev): -16.4266 -16.4266 -16.4266 -16.4266 -13.4580 -13.4580 -13.4487 -13.4487 -13.4430 -13.4430 -6.0341 -6.0341 -4.3046 -4.3046 -3.9295 -3.9295 -3.8785 -3.8785 -1.7843 -1.7843 -1.7230 -1.7230 -1.6995 -1.6995 -0.8109 -0.8109 2.6201 2.6201 5.4189 5.4189 5.9800 5.9800 6.0304 6.0304 6.3937 6.3937 6.4218 6.4218 7.8114 7.8114 8.3424 8.3424 9.8256 9.8256 10.7004 10.7004 12.4203 12.4203 k = 0.1136 0.0316 0.0192 ( 3809 PWs) bands (ev): -16.4266 -16.4266 -16.4266 -16.4266 -13.4580 -13.4580 -13.4487 -13.4487 -13.4430 -13.4430 -6.0372 -6.0372 -4.2949 -4.2949 -3.9295 -3.9295 -3.8787 -3.8787 -1.7843 -1.7843 -1.7231 -1.7231 -1.6995 -1.6995 -0.8307 -0.8307 2.6497 2.6497 5.4106 5.4106 5.9596 5.9596 6.0281 6.0281 6.3993 6.3993 6.4258 6.4258 7.8513 7.8513 8.2981 8.2981 9.8058 9.8058 10.6871 10.6871 12.4698 12.4698 k = 0.0909 0.0253 0.0153 ( 3812 PWs) bands (ev): -16.4266 -16.4266 -16.4266 -16.4266 -13.4580 -13.4580 -13.4487 -13.4487 -13.4430 -13.4430 -6.0398 -6.0398 -4.2865 -4.2865 -3.9295 -3.9295 -3.8790 -3.8790 -1.7843 -1.7843 -1.7231 -1.7231 -1.6995 -1.6995 -0.8475 -0.8475 2.6749 2.6749 5.4033 5.4033 5.9427 5.9427 6.0262 6.0262 6.4040 6.4040 6.4292 6.4292 7.8914 7.8914 8.2543 8.2543 9.7894 9.7894 10.6759 10.6759 12.5121 12.5121 k = 0.0682 0.0189 0.0115 ( 3815 PWs) bands (ev): -16.4266 -16.4266 -16.4266 -16.4266 -13.4580 -13.4580 -13.4487 -13.4487 -13.4430 -13.4430 -6.0419 -6.0419 -4.2799 -4.2799 -3.9295 -3.9295 -3.8792 -3.8792 -1.7843 -1.7843 -1.7232 -1.7232 -1.6995 -1.6995 -0.8608 -0.8608 2.6951 2.6951 5.3971 5.3971 5.9293 5.9293 6.0247 6.0247 6.4079 6.4079 6.4318 6.4318 7.9312 7.9312 8.2115 8.2115 9.7763 9.7763 10.6670 10.6670 12.5462 12.5462 k = 0.0455 0.0126 0.0077 ( 3824 PWs) bands (ev): -16.4266 -16.4266 -16.4266 -16.4266 -13.4580 -13.4580 -13.4487 -13.4487 -13.4430 -13.4430 -6.0434 -6.0434 -4.2750 -4.2750 -3.9295 -3.9295 -3.8793 -3.8793 -1.7842 -1.7842 -1.7232 -1.7232 -1.6995 -1.6995 -0.8705 -0.8705 2.7099 2.7099 5.3925 5.3925 5.9196 5.9196 6.0236 6.0236 6.4107 6.4107 6.4337 6.4337 7.9697 7.9697 8.1708 8.1708 9.7669 9.7669 10.6606 10.6606 12.5713 12.5713 k = 0.0227 0.0063 0.0038 ( 3821 PWs) bands (ev): -16.4266 -16.4266 -16.4266 -16.4266 -13.4580 -13.4580 -13.4487 -13.4487 -13.4430 -13.4430 -6.0443 -6.0443 -4.2720 -4.2720 -3.9295 -3.9295 -3.8794 -3.8794 -1.7842 -1.7842 -1.7232 -1.7232 -1.6995 -1.6995 -0.8764 -0.8764 2.7189 2.7189 5.3896 5.3896 5.9138 5.9138 6.0230 6.0230 6.4124 6.4124 6.4349 6.4349 8.0035 8.0035 8.1357 8.1357 9.7612 9.7612 10.6567 10.6567 12.5867 12.5867 k = 0.0000 0.0000 0.0000 ( 3827 PWs) bands (ev): -16.4266 -16.4266 -16.4266 -16.4266 -13.4580 -13.4580 -13.4487 -13.4487 -13.4430 -13.4430 -6.0446 -6.0446 -4.2710 -4.2710 -3.9295 -3.9295 -3.8794 -3.8794 -1.7842 -1.7842 -1.7232 -1.7232 -1.6995 -1.6995 -0.8783 -0.8783 2.7219 2.7219 5.3886 5.3886 5.9119 5.9119 6.0227 6.0227 6.4130 6.4130 6.4353 6.4353 8.0198 8.0198 8.1189 8.1189 9.7593 9.7593 10.6554 10.6554 12.5918 12.5918 k = 0.0000 0.0000 0.0000 ( 3827 PWs) bands (ev): -16.4266 -16.4266 -16.4266 -16.4266 -13.4580 -13.4580 -13.4487 -13.4487 -13.4430 -13.4430 -6.0446 -6.0446 -4.2710 -4.2710 -3.9295 -3.9295 -3.8794 -3.8794 -1.7842 -1.7842 -1.7232 -1.7232 -1.6995 -1.6995 -0.8783 -0.8783 2.7219 2.7219 5.3886 5.3886 5.9119 5.9119 6.0227 6.0227 6.4130 6.4130 6.4353 6.4353 8.0198 8.0198 8.1189 8.1189 9.7593 9.7593 10.6554 10.6554 12.5918 12.5918 k = 0.0065-0.0107-0.0206 ( 3825 PWs) bands (ev): -16.4266 -16.4266 -16.4265 -16.4265 -13.4580 -13.4580 -13.4486 -13.4486 -13.4430 -13.4430 -6.0434 -6.0434 -4.2708 -4.2708 -3.9294 -3.9294 -3.8792 -3.8792 -1.7842 -1.7842 -1.7232 -1.7232 -1.6995 -1.6995 -0.8787 -0.8787 2.7194 2.7194 5.3883 5.3883 5.9113 5.9113 6.0220 6.0220 6.4085 6.4085 6.4315 6.4315 8.0147 8.0147 8.1266 8.1266 9.7660 9.7660 10.6607 10.6607 12.5867 12.5867 k = 0.0129-0.0214-0.0412 ( 3821 PWs) bands (ev): -16.4266 -16.4266 -16.4265 -16.4265 -13.4580 -13.4580 -13.4486 -13.4486 -13.4430 -13.4430 -6.0401 -6.0401 -4.2703 -4.2703 -3.9288 -3.9288 -3.8786 -3.8786 -1.7839 -1.7839 -1.7230 -1.7230 -1.6994 -1.6994 -0.8797 -0.8797 2.7117 2.7117 5.3870 5.3870 5.9094 5.9094 6.0197 6.0197 6.3900 6.3900 6.4266 6.4266 7.9975 7.9975 8.1512 8.1512 9.7855 9.7855 10.6763 10.6763 12.5714 12.5714 k = 0.0194-0.0322-0.0618 ( 3817 PWs) bands (ev): -16.4266 -16.4266 -16.4265 -16.4265 -13.4579 -13.4579 -13.4485 -13.4485 -13.4431 -13.4431 -6.0344 -6.0344 -4.2695 -4.2695 -3.9280 -3.9280 -3.8776 -3.8776 -1.7835 -1.7835 -1.7226 -1.7226 -1.6993 -1.6993 -0.8814 -0.8814 2.6992 2.6992 5.3842 5.3842 5.9049 5.9049 6.0161 6.0161 6.3565 6.3565 6.4245 6.4245 7.9672 7.9672 8.1929 8.1929 9.8169 9.8169 10.7021 10.7021 12.5461 12.5461 k = 0.0258-0.0429-0.0825 ( 3809 PWs) bands (ev): -16.4266 -16.4266 -16.4264 -16.4264 -13.4579 -13.4579 -13.4484 -13.4484 -13.4432 -13.4432 -6.0265 -6.0265 -4.2683 -4.2683 -3.9269 -3.9269 -3.8762 -3.8762 -1.7828 -1.7828 -1.7221 -1.7221 -1.6992 -1.6992 -0.8840 -0.8840 2.6820 2.6820 5.3789 5.3789 5.8963 5.8963 6.0115 6.0115 6.3139 6.3139 6.4243 6.4243 7.9258 7.9258 8.2486 8.2486 9.8586 9.8586 10.7375 10.7375 12.5113 12.5113 k = 0.0323-0.0536-0.1031 ( 3807 PWs) bands (ev): -16.4266 -16.4266 -16.4263 -16.4263 -13.4578 -13.4578 -13.4483 -13.4483 -13.4433 -13.4433 -6.0163 -6.0163 -4.2668 -4.2668 -3.9256 -3.9256 -3.8742 -3.8742 -1.7821 -1.7821 -1.7215 -1.7215 -1.6990 -1.6990 -0.8873 -0.8873 2.6607 2.6607 5.3697 5.3697 5.8814 5.8814 6.0066 6.0066 6.2678 6.2678 6.4259 6.4259 7.8760 7.8760 8.3147 8.3147 9.9091 9.9091 10.7820 10.7820 12.4676 12.4676 k = 0.0387-0.0643-0.1237 ( 3803 PWs) bands (ev): -16.4266 -16.4266 -16.4262 -16.4262 -13.4577 -13.4577 -13.4481 -13.4481 -13.4435 -13.4435 -6.0039 -6.0039 -4.2650 -4.2650 -3.9241 -3.9241 -3.8716 -3.8716 -1.7812 -1.7812 -1.7208 -1.7208 -1.6987 -1.6987 -0.8916 -0.8916 2.6358 2.6358 5.3548 5.3548 5.8583 5.8583 6.0018 6.0018 6.2226 6.2226 6.4301 6.4301 7.8205 7.8205 8.3879 8.3879 9.9667 9.9667 10.8344 10.8344 12.4158 12.4158 k = 0.0452-0.0750-0.1443 ( 3809 PWs) bands (ev): -16.4267 -16.4267 -16.4261 -16.4261 -13.4577 -13.4577 -13.4479 -13.4479 -13.4437 -13.4437 -5.9893 -5.9893 -4.2630 -4.2630 -3.9225 -3.9225 -3.8685 -3.8685 -1.7802 -1.7802 -1.7200 -1.7200 -1.6983 -1.6983 -0.8970 -0.8970 2.6078 2.6078 5.3320 5.3320 5.8267 5.8267 5.9970 5.9970 6.1817 6.1817 6.4378 6.4378 7.7617 7.7617 8.4653 8.4653 10.0302 10.0302 10.8938 10.8938 12.3568 12.3568 k = 0.0516-0.0858-0.1649 ( 3813 PWs) bands (ev): -16.4267 -16.4267 -16.4260 -16.4260 -13.4576 -13.4576 -13.4477 -13.4477 -13.4438 -13.4438 -5.9724 -5.9724 -4.2607 -4.2607 -3.9208 -3.9208 -3.8647 -3.8647 -1.7790 -1.7790 -1.7191 -1.7191 -1.6979 -1.6979 -0.9034 -0.9034 2.5773 2.5773 5.2990 5.2990 5.7885 5.7885 5.9916 5.9916 6.1462 6.1462 6.4502 6.4502 7.7018 7.7018 8.5445 8.5445 10.0984 10.0984 10.9586 10.9586 12.2920 12.2920 k = 0.0581-0.0965-0.1855 ( 3815 PWs) bands (ev): -16.4267 -16.4267 -16.4259 -16.4259 -13.4575 -13.4575 -13.4475 -13.4475 -13.4440 -13.4440 -5.9533 -5.9533 -4.2583 -4.2583 -3.9192 -3.9192 -3.8601 -3.8601 -1.7778 -1.7778 -1.7182 -1.7182 -1.6973 -1.6973 -0.9112 -0.9112 2.5451 2.5451 5.2540 5.2540 5.7467 5.7467 5.9841 5.9841 6.1164 6.1164 6.4679 6.4679 7.6425 7.6425 8.6237 8.6237 10.1701 10.1701 11.0272 11.0272 12.2230 12.2230 k = 0.0646-0.1072-0.2061 ( 3809 PWs) bands (ev): -16.4268 -16.4268 -16.4257 -16.4257 -13.4575 -13.4575 -13.4472 -13.4472 -13.4442 -13.4442 -5.9321 -5.9321 -4.2557 -4.2557 -3.9176 -3.9176 -3.8548 -3.8548 -1.7765 -1.7765 -1.7174 -1.7174 -1.6965 -1.6965 -0.9204 -0.9204 2.5117 2.5117 5.1966 5.1966 5.7034 5.7034 5.9717 5.9717 6.0936 6.0936 6.4915 6.4915 7.5853 7.5853 8.7016 8.7016 10.2442 10.2442 11.0976 11.0976 12.1517 12.1517 k = 0.0710-0.1179-0.2268 ( 3813 PWs) bands (ev): -16.4268 -16.4268 -16.4256 -16.4256 -13.4574 -13.4574 -13.4470 -13.4470 -13.4444 -13.4444 -5.9086 -5.9086 -4.2530 -4.2530 -3.9161 -3.9161 -3.8488 -3.8488 -1.7751 -1.7751 -1.7166 -1.7166 -1.6955 -1.6955 -0.9312 -0.9312 2.4779 2.4779 5.1276 5.1276 5.6596 5.6596 5.9511 5.9511 6.0801 6.0801 6.5208 6.5208 7.5315 7.5315 8.7770 8.7770 10.3191 10.3191 11.1676 11.1676 12.0807 12.0807 k = 0.0775-0.1287-0.2474 ( 3803 PWs) bands (ev): -16.4269 -16.4269 -16.4254 -16.4254 -13.4574 -13.4574 -13.4467 -13.4467 -13.4444 -13.4444 -5.8830 -5.8830 -4.2502 -4.2502 -3.9147 -3.9147 -3.8419 -3.8419 -1.7737 -1.7737 -1.7159 -1.7159 -1.6943 -1.6943 -0.9437 -0.9437 2.4444 2.4444 5.0489 5.0489 5.6142 5.6142 5.9211 5.9211 6.0765 6.0765 6.5556 6.5556 7.4817 7.4817 8.8492 8.8492 10.3928 10.3928 11.2340 11.2340 12.0135 12.0135 k = 0.0839-0.1394-0.2680 ( 3809 PWs) bands (ev): -16.4269 -16.4269 -16.4252 -16.4252 -13.4574 -13.4574 -13.4466 -13.4466 -13.4444 -13.4444 -5.8553 -5.8553 -4.2473 -4.2473 -3.9135 -3.9135 -3.8344 -3.8344 -1.7723 -1.7723 -1.7154 -1.7154 -1.6927 -1.6927 -0.9582 -0.9582 2.4118 2.4118 4.9630 4.9630 5.5659 5.5659 5.8835 5.8835 6.0814 6.0814 6.5952 6.5952 7.4365 7.4365 8.9178 8.9178 10.4628 10.4628 11.2934 11.2934 11.9545 11.9545 k = 0.0904-0.1501-0.2886 ( 3803 PWs) bands (ev): -16.4270 -16.4270 -16.4250 -16.4250 -13.4575 -13.4575 -13.4465 -13.4465 -13.4443 -13.4443 -5.8255 -5.8255 -4.2444 -4.2444 -3.9123 -3.9123 -3.8261 -3.8261 -1.7709 -1.7709 -1.7152 -1.7152 -1.6908 -1.6908 -0.9747 -0.9747 2.3807 2.3807 4.8721 4.8721 5.5130 5.5130 5.8409 5.8409 6.0925 6.0925 6.6390 6.6390 7.3961 7.3961 8.9825 8.9825 10.5253 10.5253 11.3414 11.3414 11.9090 11.9090 k = 0.0968-0.1608-0.3092 ( 3799 PWs) bands (ev): -16.4270 -16.4270 -16.4248 -16.4248 -13.4575 -13.4575 -13.4465 -13.4465 -13.4440 -13.4440 -5.7936 -5.7936 -4.2415 -4.2415 -3.9113 -3.9113 -3.8172 -3.8172 -1.7696 -1.7696 -1.7152 -1.7152 -1.6887 -1.6887 -0.9934 -0.9934 2.3518 2.3518 4.7780 4.7780 5.4545 5.4545 5.7952 5.7952 6.1082 6.1082 6.6865 6.6865 7.3605 7.3605 9.0430 9.0430 10.5760 10.5760 11.3747 11.3747 11.8822 11.8822 k = 0.1033-0.1715-0.3298 ( 3793 PWs) bands (ev): -16.4271 -16.4271 -16.4246 -16.4246 -13.4576 -13.4576 -13.4466 -13.4466 -13.4437 -13.4437 -5.7596 -5.7596 -4.2387 -4.2387 -3.9104 -3.9104 -3.8078 -3.8078 -1.7682 -1.7682 -1.7154 -1.7154 -1.6862 -1.6862 -1.0144 -1.0144 2.3256 2.3256 4.6823 4.6823 5.3898 5.3898 5.7477 5.7477 6.1275 6.1275 6.7370 6.7370 7.3296 7.3296 9.0992 9.0992 10.6097 10.6097 11.3930 11.3930 11.8755 11.8755 k = 0.1097-0.1823-0.3505 ( 3793 PWs) bands (ev): -16.4271 -16.4271 -16.4244 -16.4244 -13.4578 -13.4578 -13.4468 -13.4468 -13.4432 -13.4432 -5.7236 -5.7236 -4.2358 -4.2358 -3.9095 -3.9095 -3.7978 -3.7978 -1.7670 -1.7670 -1.7160 -1.7160 -1.6835 -1.6835 -1.0379 -1.0379 2.3025 2.3025 4.5862 4.5862 5.3190 5.3190 5.6992 5.6992 6.1495 6.1495 6.7902 6.7902 7.3029 7.3029 9.1510 9.1510 10.6221 10.6221 11.4007 11.4007 11.8850 11.8850 k = 0.1162-0.1930-0.3711 ( 3801 PWs) bands (ev): -16.4272 -16.4272 -16.4242 -16.4242 -13.4579 -13.4579 -13.4469 -13.4469 -13.4427 -13.4427 -5.6857 -5.6857 -4.2331 -4.2331 -3.9087 -3.9087 -3.7874 -3.7874 -1.7659 -1.7659 -1.7168 -1.7168 -1.6805 -1.6805 -1.0638 -1.0638 2.2831 2.2831 4.4904 4.4904 5.2426 5.2426 5.6500 5.6500 6.1737 6.1737 6.8453 6.8453 7.2802 7.2802 9.1982 9.1982 10.6111 10.6111 11.4019 11.4019 11.9042 11.9042 k = 0.1227-0.2037-0.3917 ( 3803 PWs) bands (ev): -16.4273 -16.4273 -16.4239 -16.4239 -13.4581 -13.4581 -13.4471 -13.4471 -13.4421 -13.4421 -5.6458 -5.6458 -4.2305 -4.2305 -3.9080 -3.9080 -3.7767 -3.7767 -1.7651 -1.7651 -1.7180 -1.7180 -1.6774 -1.6774 -1.0922 -1.0922 2.2678 2.2678 4.3958 4.3958 5.1613 5.1613 5.6001 5.6001 6.1995 6.1995 6.9022 6.9022 7.2610 7.2610 9.2406 9.2406 10.5785 10.5785 11.3970 11.3970 11.9286 11.9286 k = 0.1291-0.2144-0.4123 ( 3791 PWs) bands (ev): -16.4273 -16.4273 -16.4237 -16.4237 -13.4583 -13.4583 -13.4472 -13.4472 -13.4416 -13.4416 -5.6041 -5.6041 -4.2279 -4.2279 -3.9073 -3.9073 -3.7656 -3.7656 -1.7645 -1.7645 -1.7194 -1.7194 -1.6741 -1.6741 -1.1230 -1.1230 2.2567 2.2567 4.3030 4.3030 5.0761 5.0761 5.5494 5.5494 6.2262 6.2262 6.9602 6.9602 7.2449 7.2449 9.2778 9.2778 10.5289 10.5289 11.3823 11.3823 11.9576 11.9576 k = 0.1356-0.2251-0.4329 ( 3789 PWs) bands (ev): -16.4274 -16.4274 -16.4235 -16.4235 -13.4585 -13.4585 -13.4473 -13.4473 -13.4410 -13.4410 -5.5605 -5.5605 -4.2255 -4.2255 -3.9067 -3.9067 -3.7544 -3.7544 -1.7643 -1.7643 -1.7210 -1.7210 -1.6707 -1.6707 -1.1561 -1.1561 2.2503 2.2503 4.2124 4.2124 4.9879 4.9879 5.4979 5.4979 6.2535 6.2535 7.0191 7.0191 7.2316 7.2316 9.3089 9.3089 10.4678 10.4678 11.3546 11.3546 11.9924 11.9924 k = 0.1420-0.2359-0.4535 ( 3785 PWs) bands (ev): -16.4274 -16.4274 -16.4233 -16.4233 -13.4588 -13.4588 -13.4475 -13.4475 -13.4404 -13.4404 -5.5152 -5.5152 -4.2231 -4.2231 -3.9061 -3.9061 -3.7432 -3.7432 -1.7648 -1.7648 -1.7229 -1.7229 -1.6672 -1.6672 -1.1913 -1.1913 2.2487 2.2487 4.1244 4.1244 4.8976 4.8976 5.4453 5.4453 6.2808 6.2808 7.0782 7.0782 7.2205 7.2205 9.3333 9.3333 10.4009 10.4009 11.3137 11.3137 12.0333 12.0333 k = 0.1485-0.2466-0.4741 ( 3779 PWs) bands (ev): -16.4275 -16.4275 -16.4230 -16.4230 -13.4590 -13.4590 -13.4476 -13.4476 -13.4398 -13.4398 -5.4681 -5.4681 -4.2209 -4.2209 -3.9055 -3.9055 -3.7319 -3.7319 -1.7662 -1.7662 -1.7248 -1.7248 -1.6638 -1.6638 -1.2284 -1.2284 2.2520 2.2520 4.0394 4.0394 4.8060 4.8060 5.3917 5.3917 6.3076 6.3076 7.1371 7.1371 7.2118 7.2118 9.3498 9.3498 10.3327 10.3327 11.2623 11.2623 12.0788 12.0788 k = 0.1549-0.2573-0.4948 ( 3781 PWs) bands (ev): -16.4275 -16.4275 -16.4228 -16.4228 -13.4593 -13.4593 -13.4477 -13.4477 -13.4392 -13.4392 -5.4194 -5.4194 -4.2189 -4.2189 -3.9050 -3.9050 -3.7208 -3.7208 -1.7690 -1.7690 -1.7266 -1.7266 -1.6603 -1.6603 -1.2669 -1.2669 2.2603 2.2603 3.9576 3.9576 4.7139 4.7139 5.3370 5.3370 6.3335 6.3335 7.1906 7.1906 7.2096 7.2096 9.3572 9.3572 10.2674 10.2674 11.2045 11.2045 12.1264 12.1264 k = 0.1614-0.2680-0.5154 ( 3783 PWs) bands (ev): -16.4276 -16.4276 -16.4226 -16.4226 -13.4595 -13.4595 -13.4478 -13.4478 -13.4386 -13.4386 -5.3692 -5.3692 -4.2169 -4.2169 -3.9044 -3.9044 -3.7098 -3.7098 -1.7737 -1.7737 -1.7281 -1.7281 -1.6569 -1.6569 -1.3064 -1.3064 2.2735 2.2735 3.8793 3.8793 4.6218 4.6218 5.2811 5.2811 6.3580 6.3580 7.1954 7.1954 7.2564 7.2564 9.3544 9.3544 10.2083 10.2083 11.1441 11.1441 12.1732 12.1732 k = 0.1678-0.2788-0.5360 ( 3783 PWs) bands (ev): -16.4276 -16.4276 -16.4224 -16.4224 -13.4598 -13.4598 -13.4479 -13.4479 -13.4381 -13.4381 -5.3175 -5.3175 -4.2151 -4.2151 -3.9039 -3.9039 -3.6992 -3.6992 -1.7809 -1.7809 -1.7292 -1.7292 -1.6535 -1.6535 -1.3462 -1.3462 2.2916 2.2916 3.8047 3.8047 4.5305 4.5305 5.2241 5.2241 6.3806 6.3806 7.1910 7.1910 7.3119 7.3119 9.3408 9.3408 10.1579 10.1579 11.0844 11.0844 12.2172 12.2172 k = 0.1743-0.2895-0.5566 ( 3785 PWs) bands (ev): -16.4276 -16.4276 -16.4222 -16.4222 -13.4600 -13.4600 -13.4480 -13.4480 -13.4375 -13.4375 -5.2644 -5.2644 -4.2134 -4.2134 -3.9033 -3.9033 -3.6890 -3.6890 -1.7913 -1.7913 -1.7297 -1.7297 -1.6503 -1.6503 -1.3856 -1.3856 2.3144 2.3144 3.7340 3.7340 4.4405 4.4405 5.1661 5.1661 6.4008 6.4008 7.1869 7.1869 7.3655 7.3655 9.3166 9.3166 10.1175 10.1175 11.0277 11.0277 12.2565 12.2565 k = 0.1808-0.3002-0.5772 ( 3779 PWs) bands (ev): -16.4277 -16.4277 -16.4220 -16.4220 -13.4602 -13.4602 -13.4481 -13.4481 -13.4370 -13.4370 -5.2100 -5.2100 -4.2118 -4.2118 -3.9026 -3.9026 -3.6793 -3.6793 -1.8055 -1.8055 -1.7297 -1.7297 -1.6473 -1.6473 -1.4235 -1.4235 2.3418 2.3418 3.6671 3.6671 4.3525 4.3525 5.1071 5.1071 6.4181 6.4181 7.1834 7.1834 7.4158 7.4158 9.2836 9.2836 10.0872 10.0872 10.9758 10.9758 12.2899 12.2899 k = 0.1872-0.3109-0.5978 ( 3782 PWs) bands (ev): -16.4277 -16.4277 -16.4218 -16.4218 -13.4604 -13.4604 -13.4482 -13.4482 -13.4365 -13.4365 -5.1546 -5.1546 -4.2104 -4.2104 -3.9020 -3.9020 -3.6701 -3.6701 -1.8241 -1.8241 -1.7294 -1.7294 -1.6445 -1.6445 -1.4591 -1.4591 2.3734 2.3734 3.6044 3.6044 4.2670 4.2670 5.0472 5.0472 6.4322 6.4322 7.1804 7.1804 7.4616 7.4616 9.2446 9.2446 10.0658 10.0658 10.9298 10.9298 12.3166 12.3166 k = 0.1937-0.3216-0.6184 ( 3776 PWs) bands (ev): -16.4277 -16.4277 -16.4216 -16.4216 -13.4606 -13.4606 -13.4483 -13.4483 -13.4361 -13.4361 -5.0981 -5.0981 -4.2090 -4.2090 -3.9012 -3.9012 -3.6616 -3.6616 -1.8477 -1.8477 -1.7287 -1.7287 -1.6419 -1.6419 -1.4915 -1.4915 2.4090 2.4090 3.5457 3.5457 4.1847 4.1847 4.9866 4.9866 6.4425 6.4425 7.1777 7.1777 7.5016 7.5016 9.2031 9.2031 10.0519 10.0519 10.8904 10.8904 12.3363 12.3363 k = 0.2001-0.3324-0.6391 ( 3778 PWs) bands (ev): -16.4278 -16.4278 -16.4214 -16.4214 -13.4607 -13.4607 -13.4484 -13.4484 -13.4356 -13.4356 -5.0408 -5.0408 -4.2078 -4.2078 -3.9003 -3.9003 -3.6539 -3.6539 -1.8766 -1.8766 -1.7278 -1.7278 -1.6396 -1.6396 -1.5198 -1.5198 2.4480 2.4480 3.4911 3.4911 4.1062 4.1062 4.9253 4.9253 6.4487 6.4487 7.1753 7.1753 7.5343 7.5343 9.1630 9.1630 10.0437 10.0437 10.8580 10.8580 12.3489 12.3489 k = 0.2066-0.3431-0.6597 ( 3778 PWs) bands (ev): -16.4278 -16.4278 -16.4213 -16.4213 -13.4609 -13.4609 -13.4485 -13.4485 -13.4352 -13.4352 -4.9828 -4.9828 -4.2067 -4.2067 -3.8993 -3.8993 -3.6470 -3.6470 -1.9108 -1.9108 -1.7268 -1.7268 -1.6376 -1.6376 -1.5438 -1.5438 2.4901 2.4901 3.4405 3.4405 4.0323 4.0323 4.8636 4.8636 6.4505 6.4505 7.1730 7.1730 7.5579 7.5579 9.1281 9.1281 10.0401 10.0401 10.8323 10.8323 12.3549 12.3549 k = 0.2130-0.3538-0.6803 ( 3778 PWs) bands (ev): -16.4278 -16.4278 -16.4211 -16.4211 -13.4609 -13.4609 -13.4486 -13.4486 -13.4349 -13.4349 -4.9243 -4.9243 -4.2058 -4.2058 -3.8981 -3.8981 -3.6410 -3.6410 -1.9496 -1.9496 -1.7257 -1.7257 -1.6359 -1.6359 -1.5637 -1.5637 2.5344 2.5344 3.3938 3.3938 3.9638 3.9638 4.8016 4.8016 6.4476 6.4476 7.1707 7.1707 7.5710 7.5710 9.1015 9.1015 10.0399 10.0399 10.8132 10.8132 12.3553 12.3553 k = 0.2195-0.3645-0.7009 ( 3784 PWs) bands (ev): -16.4278 -16.4278 -16.4209 -16.4209 -13.4610 -13.4610 -13.4487 -13.4487 -13.4346 -13.4346 -4.8656 -4.8656 -4.2049 -4.2049 -3.8966 -3.8966 -3.6359 -3.6359 -1.9924 -1.9924 -1.7245 -1.7245 -1.6346 -1.6346 -1.5799 -1.5799 2.5802 2.5802 3.3511 3.3511 3.9017 3.9017 4.7394 4.7394 6.4398 6.4398 7.1684 7.1684 7.5723 7.5723 9.0860 9.0860 10.0425 10.0425 10.8002 10.8002 12.3512 12.3512 k = 0.2259-0.3752-0.7215 ( 3780 PWs) bands (ev): -16.4278 -16.4278 -16.4208 -16.4208 -13.4609 -13.4609 -13.4489 -13.4489 -13.4343 -13.4343 -4.8069 -4.8069 -4.2042 -4.2042 -3.8949 -3.8949 -3.6318 -3.6318 -2.0381 -2.0381 -1.7233 -1.7233 -1.6337 -1.6337 -1.5931 -1.5931 2.6263 2.6263 3.3123 3.3123 3.8471 3.8471 4.6772 4.6772 6.4271 6.4271 7.1660 7.1660 7.5610 7.5610 9.0832 9.0832 10.0474 10.0474 10.7926 10.7926 12.3439 12.3439 k = 0.2324-0.3860-0.7421 ( 3782 PWs) bands (ev): -16.4278 -16.4278 -16.4207 -16.4207 -13.4609 -13.4609 -13.4490 -13.4490 -13.4340 -13.4340 -4.7485 -4.7485 -4.2035 -4.2035 -3.8927 -3.8927 -3.6288 -3.6288 -2.0858 -2.0858 -1.7220 -1.7220 -1.6333 -1.6333 -1.6038 -1.6038 2.6712 2.6712 3.2779 3.2779 3.8011 3.8011 4.6153 4.6153 6.4095 6.4095 7.1633 7.1633 7.5373 7.5373 9.0939 9.0939 10.0542 10.0542 10.7902 10.7902 12.3345 12.3345 k = 0.2388-0.3967-0.7627 ( 3778 PWs) bands (ev): -16.4278 -16.4278 -16.4206 -16.4206 -13.4608 -13.4608 -13.4492 -13.4492 -13.4338 -13.4338 -4.6907 -4.6907 -4.2030 -4.2030 -3.8900 -3.8900 -3.6268 -3.6268 -2.1347 -2.1347 -1.7208 -1.7208 -1.6332 -1.6332 -1.6126 -1.6126 2.7128 2.7128 3.2487 3.2487 3.7648 3.7648 4.5539 4.5539 6.3872 6.3872 7.1603 7.1603 7.5019 7.5019 9.1178 9.1178 10.0622 10.0622 10.7927 10.7927 12.3242 12.3242 k = 0.2453-0.4074-0.7834 ( 3778 PWs) bands (ev): -16.4278 -16.4278 -16.4205 -16.4205 -13.4607 -13.4607 -13.4493 -13.4493 -13.4337 -13.4337 -4.6340 -4.6340 -4.2026 -4.2026 -3.8866 -3.8866 -3.6259 -3.6259 -2.1839 -2.1839 -1.7195 -1.7195 -1.6337 -1.6337 -1.6198 -1.6198 2.7483 2.7483 3.2262 3.2262 3.7393 3.7393 4.4933 4.4933 6.3602 6.3602 7.1569 7.1569 7.4564 7.4564 9.1542 9.1542 10.0707 10.0707 10.8000 10.8000 12.3139 12.3139 k = 0.2518-0.4181-0.8040 ( 3778 PWs) bands (ev): -16.4278 -16.4278 -16.4204 -16.4204 -13.4605 -13.4605 -13.4495 -13.4495 -13.4335 -13.4335 -4.5788 -4.5788 -4.2024 -4.2024 -3.8824 -3.8824 -3.6261 -3.6261 -2.2328 -2.2328 -1.7183 -1.7183 -1.6346 -1.6346 -1.6257 -1.6257 2.7745 2.7745 3.2124 3.2124 3.7254 3.7254 4.4338 4.4338 6.3290 6.3290 7.1529 7.1529 7.4026 7.4026 9.2016 9.2016 10.0788 10.0788 10.8124 10.8124 12.3041 12.3041 k = 0.2582-0.4289-0.8246 ( 3784 PWs) bands (ev): -16.4278 -16.4278 -16.4203 -16.4203 -13.4603 -13.4603 -13.4497 -13.4497 -13.4334 -13.4334 -4.5255 -4.5255 -4.2022 -4.2022 -3.8772 -3.8772 -3.6274 -3.6274 -2.2808 -2.2808 -1.7171 -1.7171 -1.6364 -1.6364 -1.6304 -1.6304 2.7885 2.7885 3.2094 3.2094 3.7237 3.7237 4.3757 4.3757 6.2938 6.2938 7.1477 7.1477 7.3427 7.3427 9.2584 9.2584 10.0853 10.0853 10.8305 10.8305 12.2951 12.2951 k = 0.2647-0.4396-0.8452 ( 3780 PWs) bands (ev): -16.4278 -16.4278 -16.4202 -16.4202 -13.4601 -13.4601 -13.4499 -13.4499 -13.4334 -13.4334 -4.4749 -4.4749 -4.2022 -4.2022 -3.8707 -3.8707 -3.6297 -3.6297 -2.3272 -2.3272 -1.7159 -1.7159 -1.6391 -1.6391 -1.6338 -1.6338 2.7892 2.7892 3.2176 3.2176 3.7343 3.7343 4.3198 4.3198 6.2550 6.2550 7.1399 7.1399 7.2798 7.2798 9.3233 9.3233 10.0893 10.0893 10.8548 10.8548 12.2871 12.2871 k = 0.2711-0.4503-0.8658 ( 3786 PWs) bands (ev): -16.4277 -16.4277 -16.4202 -16.4202 -13.4598 -13.4598 -13.4502 -13.4502 -13.4333 -13.4333 -4.4275 -4.4275 -4.2023 -4.2023 -3.8627 -3.8627 -3.6331 -3.6331 -2.3717 -2.3717 -1.7147 -1.7147 -1.6423 -1.6423 -1.6364 -1.6364 2.7779 2.7779 3.2352 3.2352 3.7566 3.7566 4.2666 4.2666 6.2131 6.2131 7.1246 7.1246 7.2202 7.2202 9.3945 9.3945 10.0898 10.0898 10.8859 10.8859 12.2798 12.2798 k = 0.2776-0.4610-0.8864 ( 3782 PWs) bands (ev): -16.4277 -16.4277 -16.4201 -16.4201 -13.4595 -13.4595 -13.4504 -13.4504 -13.4333 -13.4333 -4.3840 -4.3840 -4.2026 -4.2026 -3.8529 -3.8529 -3.6374 -3.6374 -2.4136 -2.4136 -1.7135 -1.7135 -1.6456 -1.6456 -1.6388 -1.6388 2.7578 2.7578 3.2592 3.2592 3.7894 3.7894 4.2176 4.2176 6.1686 6.1686 7.0878 7.0878 7.1792 7.1792 9.4707 9.4707 10.0864 10.0864 10.9243 10.9243 12.2727 12.2727 k = 0.2840-0.4717-0.9070 ( 3782 PWs) bands (ev): -16.4277 -16.4277 -16.4201 -16.4201 -13.4591 -13.4591 -13.4507 -13.4507 -13.4333 -13.4333 -4.3449 -4.3449 -4.2029 -4.2029 -3.8413 -3.8413 -3.6427 -3.6427 -2.4525 -2.4525 -1.7124 -1.7124 -1.6488 -1.6488 -1.6412 -1.6412 2.7320 2.7320 3.2865 3.2865 3.8301 3.8301 4.1748 4.1748 6.1218 6.1218 7.0262 7.0262 7.1612 7.1612 9.5501 9.5501 10.0794 10.0794 10.9701 10.9701 12.2650 12.2650 k = 0.2905-0.4825-0.9277 ( 3784 PWs) bands (ev): -16.4277 -16.4277 -16.4200 -16.4200 -13.4588 -13.4588 -13.4510 -13.4510 -13.4334 -13.4334 -4.3109 -4.3109 -4.2035 -4.2035 -3.8278 -3.8278 -3.6488 -3.6488 -2.4878 -2.4878 -1.7112 -1.7112 -1.6518 -1.6518 -1.6437 -1.6437 2.7031 2.7031 3.3146 3.3146 3.8740 3.8740 4.1424 4.1424 6.0733 6.0733 6.9544 6.9544 7.1526 7.1526 9.6303 9.6303 10.0702 10.0702 11.0230 11.0230 12.2559 12.2559 k = 0.2969-0.4932-0.9483 ( 3782 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4584 -13.4584 -13.4512 -13.4512 -13.4334 -13.4334 -4.2822 -4.2822 -4.2042 -4.2042 -3.8127 -3.8127 -3.6555 -3.6555 -2.5192 -2.5192 -1.7100 -1.7100 -1.6547 -1.6547 -1.6462 -1.6462 2.6731 2.6731 3.3416 3.3416 3.9125 3.9125 4.1291 4.1291 6.0237 6.0237 6.8792 6.8792 7.1471 7.1471 9.7072 9.7072 10.0625 10.0625 11.0824 11.0824 12.2443 12.2443 k = 0.3034-0.5039-0.9689 ( 3780 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4581 -13.4581 -13.4515 -13.4515 -13.4335 -13.4335 -4.2590 -4.2590 -4.2051 -4.2051 -3.7964 -3.7964 -3.6628 -3.6628 -2.5461 -2.5461 -1.7089 -1.7089 -1.6576 -1.6576 -1.6486 -1.6486 2.6434 2.6434 3.3656 3.3656 3.9341 3.9341 4.1461 4.1461 5.9732 5.9732 6.8032 6.8032 7.1430 7.1430 9.7724 9.7724 10.0643 10.0643 11.1474 11.1474 12.2292 12.2292 k = 0.3099-0.5146-0.9895 ( 3782 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4577 -13.4577 -13.4518 -13.4518 -13.4335 -13.4335 -4.2410 -4.2410 -4.2061 -4.2061 -3.7798 -3.7798 -3.6703 -3.6703 -2.5681 -2.5681 -1.7077 -1.7077 -1.6606 -1.6606 -1.6508 -1.6508 2.6149 2.6149 3.3846 3.3846 3.9391 3.9391 4.1938 4.1938 5.9226 5.9226 6.7274 6.7274 7.1399 7.1399 9.8123 9.8123 10.0895 10.0895 11.2169 11.2169 12.2098 12.2098 k = 0.3163-0.5253-1.0101 ( 3776 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4574 -13.4574 -13.4520 -13.4520 -13.4335 -13.4335 -4.2281 -4.2281 -4.2073 -4.2073 -3.7641 -3.7641 -3.6775 -3.6775 -2.5849 -2.5849 -1.7065 -1.7065 -1.6638 -1.6638 -1.6526 -1.6526 2.5884 2.5884 3.3965 3.3965 3.9404 3.9404 4.2603 4.2603 5.8721 5.8721 6.6527 6.6527 7.1376 7.1376 9.8192 9.8192 10.1457 10.1457 11.2892 11.2892 12.1861 12.1861 k = 0.3228-0.5361-1.0307 ( 3778 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4572 -13.4572 -13.4522 -13.4522 -13.4336 -13.4336 -4.2196 -4.2196 -4.2086 -4.2086 -3.7511 -3.7511 -3.6835 -3.6835 -2.5962 -2.5962 -1.7054 -1.7054 -1.6670 -1.6670 -1.6541 -1.6541 2.5644 2.5644 3.3995 3.3995 3.9475 3.9475 4.3363 4.3363 5.8223 5.8223 6.5796 6.5796 7.1362 7.1362 9.8014 9.8014 10.2247 10.2247 11.3621 11.3621 12.1586 12.1586 k = 0.3292-0.5468-1.0514 ( 3790 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4571 -13.4571 -13.4523 -13.4523 -13.4336 -13.4336 -4.2153 -4.2153 -4.2099 -4.2099 -3.7429 -3.7429 -3.6866 -3.6866 -2.6020 -2.6020 -1.7044 -1.7044 -1.6703 -1.6703 -1.6550 -1.6550 2.5433 2.5433 3.3929 3.3929 3.9647 3.9647 4.4169 4.4169 5.7738 5.7738 6.5088 6.5088 7.1357 7.1357 9.7697 9.7697 10.3156 10.3156 11.4323 11.4323 12.1295 12.1295 k = 0.3357-0.5575-1.0720 ( 3780 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4570 -13.4570 -13.4523 -13.4523 -13.4336 -13.4336 -4.2145 -4.2145 -4.2111 -4.2111 -3.7413 -3.7413 -3.6856 -3.6856 -2.6024 -2.6024 -1.7035 -1.7035 -1.6735 -1.6735 -1.6556 -1.6556 2.5254 2.5254 3.3776 3.3776 3.9926 3.9926 4.4994 4.4994 5.7270 5.7270 6.4409 6.4409 7.1364 7.1364 9.7301 9.7301 10.4125 10.4125 11.4947 11.4947 12.1032 12.1032 k = 0.3421-0.5682-1.0926 ( 3776 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4571 -13.4571 -13.4522 -13.4522 -13.4336 -13.4336 -4.2160 -4.2160 -4.2133 -4.2133 -3.7455 -3.7455 -3.6816 -3.6816 -2.5976 -2.5976 -1.7028 -1.7028 -1.6765 -1.6765 -1.6556 -1.6556 2.5109 2.5109 3.3551 3.3551 4.0301 4.0301 4.5817 4.5817 5.6826 5.6826 6.3766 6.3766 7.1385 7.1385 9.6855 9.6855 10.5120 10.5120 11.5414 11.5414 12.0871 12.0871 k = 0.6579-0.4293-1.0083 ( 3776 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4571 -13.4571 -13.4522 -13.4522 -13.4336 -13.4336 -4.2160 -4.2160 -4.2133 -4.2133 -3.7455 -3.7455 -3.6816 -3.6816 -2.5976 -2.5976 -1.7028 -1.7028 -1.6765 -1.6765 -1.6556 -1.6556 2.5109 2.5109 3.3551 3.3551 4.0301 4.0301 4.5817 4.5817 5.6826 5.6826 6.3766 6.3766 7.1385 7.1385 9.6855 9.6855 10.5120 10.5120 11.5414 11.5414 12.0871 12.0871 k = 0.6515-0.4066-1.0083 ( 3774 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4574 -13.4574 -13.4521 -13.4521 -13.4335 -13.4335 -4.2190 -4.2190 -4.2165 -4.2165 -3.7529 -3.7529 -3.6771 -3.6771 -2.5883 -2.5883 -1.7026 -1.7026 -1.6790 -1.6790 -1.6551 -1.6551 2.5003 2.5003 3.3280 3.3280 4.0742 4.0742 4.6603 4.6603 5.6420 5.6420 6.3179 6.3179 7.1420 7.1420 9.6385 9.6385 10.6097 10.6097 11.5630 11.5630 12.0901 12.0901 k = 0.6452-0.3839-1.0083 ( 3770 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4577 -13.4577 -13.4518 -13.4518 -13.4335 -13.4335 -4.2245 -4.2245 -4.2195 -4.2195 -3.7619 -3.7619 -3.6735 -3.6735 -2.5750 -2.5750 -1.7030 -1.7030 -1.6809 -1.6809 -1.6541 -1.6541 2.4933 2.4933 3.2975 3.2975 4.1234 4.1234 4.7354 4.7354 5.6050 5.6050 6.2643 6.2643 7.1473 7.1473 9.5891 9.5891 10.7059 10.7059 11.5561 11.5561 12.1161 12.1161 k = 0.6389-0.3611-1.0083 ( 3770 PWs) bands (ev): -16.4276 -16.4276 -16.4200 -16.4200 -13.4581 -13.4581 -13.4515 -13.4515 -13.4333 -13.4333 -4.2320 -4.2320 -4.2223 -4.2223 -3.7717 -3.7717 -3.6714 -3.6714 -2.5583 -2.5583 -1.7042 -1.7042 -1.6820 -1.6820 -1.6525 -1.6525 2.4900 2.4900 3.2650 3.2650 4.1759 4.1759 4.8053 4.8053 5.5724 5.5724 6.2168 6.2168 7.1547 7.1547 9.5377 9.5377 10.7978 10.7978 11.5249 11.5249 12.1598 12.1598 k = 0.6326-0.3384-1.0083 ( 3774 PWs) bands (ev): -16.4277 -16.4277 -16.4200 -16.4200 -13.4586 -13.4586 -13.4512 -13.4512 -13.4332 -13.4332 -4.2410 -4.2410 -4.2252 -4.2252 -3.7818 -3.7818 -3.6707 -3.6707 -2.5391 -2.5391 -1.7061 -1.7061 -1.6824 -1.6824 -1.6502 -1.6502 2.4904 2.4904 3.2314 3.2314 4.2297 4.2297 4.8681 4.8681 5.5450 5.5450 6.1768 6.1768 7.1645 7.1645 9.4847 9.4847 10.8811 10.8811 11.4801 11.4801 12.2009 12.2009 k = 0.6263-0.3157-1.0083 ( 3772 PWs) bands (ev): -16.4277 -16.4277 -16.4200 -16.4200 -13.4591 -13.4591 -13.4509 -13.4509 -13.4330 -13.4330 -4.2512 -4.2512 -4.2283 -4.2283 -3.7921 -3.7921 -3.6715 -3.6715 -2.5178 -2.5178 -1.7086 -1.7086 -1.6823 -1.6823 -1.6472 -1.6472 2.4945 2.4945 3.1975 3.1975 4.2831 4.2831 4.9221 4.9221 5.5239 5.5239 6.1454 6.1454 7.1771 7.1771 9.4303 9.4303 10.9470 10.9470 11.4365 11.4365 12.1928 12.1928 k = 0.6200-0.2929-1.0083 ( 3772 PWs) bands (ev): -16.4277 -16.4277 -16.4200 -16.4200 -13.4596 -13.4596 -13.4506 -13.4506 -13.4328 -13.4328 -4.2624 -4.2624 -4.2316 -4.2316 -3.8022 -3.8022 -3.6734 -3.6734 -2.4953 -2.4953 -1.7114 -1.7114 -1.6818 -1.6818 -1.6435 -1.6435 2.5023 2.5023 3.1639 3.1639 4.3341 4.3341 4.9656 4.9656 5.5104 5.5104 6.1237 6.1237 7.1929 7.1929 9.3746 9.3746 10.9803 10.9803 11.4130 11.4130 12.1322 12.1322 k = 0.6137-0.2702-1.0083 ( 3772 PWs) bands (ev): -16.4278 -16.4278 -16.4199 -16.4199 -13.4602 -13.4602 -13.4504 -13.4504 -13.4326 -13.4326 -4.2743 -4.2743 -4.2351 -4.2351 -3.8121 -3.8121 -3.6762 -3.6762 -2.4722 -2.4722 -1.7143 -1.7143 -1.6811 -1.6811 -1.6390 -1.6390 2.5136 2.5136 3.1309 3.1309 4.3808 4.3808 4.9973 4.9973 5.5056 5.5056 6.1125 6.1125 7.2123 7.2123 9.3176 9.3176 10.9677 10.9677 11.4251 11.4251 12.0552 12.0552 k = 0.6073-0.2475-1.0083 ( 3774 PWs) bands (ev): -16.4279 -16.4279 -16.4199 -16.4199 -13.4607 -13.4607 -13.4501 -13.4501 -13.4323 -13.4323 -4.2866 -4.2866 -4.2388 -4.2388 -3.8217 -3.8217 -3.6796 -3.6796 -2.4490 -2.4490 -1.7174 -1.7174 -1.6803 -1.6803 -1.6339 -1.6339 2.5285 2.5285 3.0990 3.0990 4.4215 4.4215 5.0168 5.0168 5.5109 5.5109 6.1117 6.1117 7.2356 7.2356 9.2593 9.2593 10.9144 10.9144 11.4670 11.4670 11.9762 11.9762 k = 0.6010-0.2248-1.0083 ( 3774 PWs) bands (ev): -16.4279 -16.4279 -16.4199 -16.4199 -13.4613 -13.4613 -13.4499 -13.4499 -13.4320 -13.4320 -4.2993 -4.2993 -4.2425 -4.2425 -3.8309 -3.8309 -3.6834 -3.6834 -2.4261 -2.4261 -1.7204 -1.7204 -1.6795 -1.6795 -1.6282 -1.6282 2.5466 2.5466 3.0684 3.0684 4.4545 4.4545 5.0242 5.0242 5.5276 5.5276 6.1203 6.1203 7.2633 7.2633 9.1996 9.1996 10.8370 10.8370 11.5179 11.5179 11.9052 11.9052 k = 0.5947-0.2020-1.0083 ( 3774 PWs) bands (ev): -16.4280 -16.4280 -16.4199 -16.4199 -13.4619 -13.4619 -13.4497 -13.4497 -13.4316 -13.4316 -4.3122 -4.3122 -4.2464 -4.2464 -3.8396 -3.8396 -3.6875 -3.6875 -2.4040 -2.4040 -1.7234 -1.7234 -1.6787 -1.6787 -1.6218 -1.6218 2.5677 2.5677 3.0393 3.0393 4.4789 4.4789 5.0207 5.0207 5.5562 5.5562 6.1366 6.1366 7.2956 7.2956 9.1384 9.1384 10.7478 10.7478 11.5523 11.5523 11.8584 11.8584 k = 0.5884-0.1793-1.0083 ( 3776 PWs) bands (ev): -16.4280 -16.4280 -16.4199 -16.4199 -13.4624 -13.4624 -13.4495 -13.4495 -13.4313 -13.4313 -4.3249 -4.3249 -4.2503 -4.2503 -3.8479 -3.8479 -3.6916 -3.6916 -2.3829 -2.3829 -1.7262 -1.7262 -1.6780 -1.6780 -1.6150 -1.6150 2.5914 2.5914 3.0120 3.0120 4.4943 4.4943 5.0080 5.0080 5.5967 5.5967 6.1584 6.1584 7.3325 7.3325 9.0755 9.0755 10.6533 10.6533 11.5436 11.5436 11.8582 11.8582 k = 0.5821-0.1566-1.0083 ( 3782 PWs) bands (ev): -16.4281 -16.4281 -16.4198 -16.4198 -13.4630 -13.4630 -13.4493 -13.4493 -13.4309 -13.4309 -4.3375 -4.3375 -4.2543 -4.2543 -3.8557 -3.8557 -3.6957 -3.6957 -2.3632 -2.3632 -1.7289 -1.7289 -1.6772 -1.6772 -1.6079 -1.6079 2.6174 2.6174 2.9868 2.9868 4.5010 4.5010 4.9882 4.9882 5.6483 5.6483 6.1834 6.1834 7.3740 7.3740 9.0107 9.0107 10.5575 10.5575 11.4937 11.4937 11.9009 11.9009 k = 0.5758-0.1338-1.0083 ( 3782 PWs) bands (ev): -16.4282 -16.4282 -16.4198 -16.4198 -13.4635 -13.4635 -13.4492 -13.4492 -13.4306 -13.4306 -4.3497 -4.3497 -4.2582 -4.2582 -3.8629 -3.8629 -3.6997 -3.6997 -2.3449 -2.3449 -1.7315 -1.7315 -1.6765 -1.6765 -1.6005 -1.6005 2.6449 2.6449 2.9640 2.9640 4.4999 4.4999 4.9636 4.9636 5.7095 5.7095 6.2097 6.2097 7.4198 7.4198 8.9441 8.9441 10.4627 10.4627 11.4251 11.4251 11.9631 11.9631 k = 0.5695-0.1111-1.0083 ( 3776 PWs) bands (ev): -16.4282 -16.4282 -16.4198 -16.4198 -13.4640 -13.4640 -13.4491 -13.4491 -13.4302 -13.4302 -4.3614 -4.3614 -4.2620 -4.2620 -3.8695 -3.8695 -3.7035 -3.7035 -2.3282 -2.3282 -1.7338 -1.7338 -1.6758 -1.6758 -1.5930 -1.5930 2.6733 2.6733 2.9440 2.9440 4.4921 4.4921 4.9360 4.9360 5.7783 5.7783 6.2356 6.2356 7.4693 7.4693 8.8756 8.8756 10.3709 10.3709 11.3511 11.3511 12.0311 12.0311 k = 0.5631-0.0884-1.0083 ( 3784 PWs) bands (ev): -16.4283 -16.4283 -16.4198 -16.4198 -13.4644 -13.4644 -13.4490 -13.4490 -13.4299 -13.4299 -4.3725 -4.3725 -4.2657 -4.2657 -3.8755 -3.8755 -3.7070 -3.7070 -2.3131 -2.3131 -1.7360 -1.7360 -1.6751 -1.6751 -1.5855 -1.5855 2.7014 2.7014 2.9275 2.9275 4.4788 4.4788 4.9072 4.9072 5.8529 5.8529 6.2600 6.2600 7.5218 7.5218 8.8054 8.8054 10.2833 10.2833 11.2774 11.2774 12.0993 12.0993 k = 0.5568-0.0657-1.0083 ( 3782 PWs) bands (ev): -16.4284 -16.4284 -16.4197 -16.4197 -13.4649 -13.4649 -13.4489 -13.4489 -13.4296 -13.4296 -4.3828 -4.3828 -4.2693 -4.2693 -3.8810 -3.8810 -3.7103 -3.7103 -2.2997 -2.2997 -1.7380 -1.7380 -1.6745 -1.6745 -1.5783 -1.5783 2.7275 2.7275 2.9157 2.9157 4.4610 4.4610 4.8787 4.8787 5.9310 5.9310 6.2823 6.2823 7.5761 7.5761 8.7338 8.7338 10.2013 10.2013 11.2067 11.2067 12.1651 12.1651 k = 0.5505-0.0429-1.0083 ( 3786 PWs) bands (ev): -16.4284 -16.4284 -16.4197 -16.4197 -13.4653 -13.4653 -13.4488 -13.4488 -13.4293 -13.4293 -4.3924 -4.3924 -4.2726 -4.2726 -3.8859 -3.8859 -3.7132 -3.7132 -2.2878 -2.2878 -1.7398 -1.7398 -1.6740 -1.6740 -1.5713 -1.5713 2.7494 2.7494 2.9101 2.9101 4.4401 4.4401 4.8515 4.8515 6.0107 6.0107 6.3021 6.3021 7.6312 7.6312 8.6614 8.6614 10.1257 10.1257 11.1406 11.1406 12.2269 12.2269 k = 0.5442-0.0202-1.0083 ( 3782 PWs) bands (ev): -16.4285 -16.4285 -16.4197 -16.4197 -13.4656 -13.4656 -13.4488 -13.4488 -13.4290 -13.4290 -4.4010 -4.4010 -4.2756 -4.2756 -3.8902 -3.8902 -3.7158 -3.7158 -2.2776 -2.2776 -1.7414 -1.7414 -1.6735 -1.6735 -1.5648 -1.5648 2.7649 2.7649 2.9123 2.9123 4.4172 4.4172 4.8266 4.8266 6.0899 6.0899 6.3192 6.3192 7.6857 7.6857 8.5892 8.5892 10.0572 10.0572 11.0801 11.0801 12.2841 12.2841 k = 0.5379 0.0025-1.0083 ( 3786 PWs) bands (ev): -16.4285 -16.4285 -16.4197 -16.4197 -13.4659 -13.4659 -13.4487 -13.4487 -13.4287 -13.4287 -4.4086 -4.4086 -4.2784 -4.2784 -3.8939 -3.8939 -3.7181 -3.7181 -2.2688 -2.2688 -1.7428 -1.7428 -1.6730 -1.6730 -1.5590 -1.5590 2.7729 2.7729 2.9224 2.9224 4.3936 4.3936 4.8044 4.8044 6.1663 6.1663 6.3337 6.3337 7.7384 7.7384 8.5184 8.5184 9.9966 9.9966 11.0261 11.0261 12.3361 12.3361 k = 0.5316 0.0253-1.0083 ( 3778 PWs) bands (ev): -16.4286 -16.4286 -16.4197 -16.4197 -13.4662 -13.4662 -13.4487 -13.4487 -13.4285 -13.4285 -4.4151 -4.4151 -4.2808 -4.2808 -3.8970 -3.8970 -3.7200 -3.7200 -2.2616 -2.2616 -1.7440 -1.7440 -1.6726 -1.6726 -1.5538 -1.5538 2.7751 2.7751 2.9379 2.9379 4.3705 4.3705 4.7853 4.7853 6.2376 6.2376 6.3457 6.3457 7.7880 7.7880 8.4507 8.4507 9.9442 9.9442 10.9792 10.9792 12.3825 12.3825 k = 0.5253 0.0480-1.0083 ( 3780 PWs) bands (ev): -16.4286 -16.4286 -16.4196 -16.4196 -13.4664 -13.4664 -13.4487 -13.4487 -13.4283 -13.4283 -4.4205 -4.4205 -4.2828 -4.2828 -3.8995 -3.8995 -3.7216 -3.7216 -2.2557 -2.2557 -1.7450 -1.7450 -1.6723 -1.6723 -1.5494 -1.5494 2.7740 2.7740 2.9553 2.9553 4.3492 4.3492 4.7697 4.7697 6.3009 6.3009 6.3557 6.3557 7.8329 7.8329 8.3882 8.3882 9.9007 9.9007 10.9401 10.9401 12.4230 12.4230 k = 0.5189 0.0707-1.0083 ( 3774 PWs) bands (ev): -16.4286 -16.4286 -16.4196 -16.4196 -13.4666 -13.4666 -13.4486 -13.4486 -13.4281 -13.4281 -4.4248 -4.4248 -4.2844 -4.2844 -3.9015 -3.9015 -3.7228 -3.7228 -2.2512 -2.2512 -1.7457 -1.7457 -1.6720 -1.6720 -1.5459 -1.5459 2.7718 2.7718 2.9716 2.9716 4.3310 4.3310 4.7575 4.7575 6.3505 6.3505 6.3669 6.3669 7.8719 7.8719 8.3334 8.3334 9.8663 9.8663 10.9091 10.9091 12.4573 12.4573 k = 0.5126 0.0935-1.0083 ( 3772 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4667 -13.4667 -13.4486 -13.4486 -13.4280 -13.4280 -4.4278 -4.4278 -4.2856 -4.2856 -3.9029 -3.9029 -3.7237 -3.7237 -2.2481 -2.2481 -1.7463 -1.7463 -1.6718 -1.6718 -1.5434 -1.5434 2.7695 2.7695 2.9846 2.9846 4.3171 4.3171 4.7487 4.7487 6.3650 6.3650 6.3981 6.3981 7.9030 7.9030 8.2895 8.2895 9.8415 9.8415 10.8868 10.8868 12.4844 12.4844 k = 0.5063 0.1162-1.0083 ( 3776 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4280 -13.4280 -4.4297 -4.4297 -4.2863 -4.2863 -3.9037 -3.9037 -3.7242 -3.7242 -2.2462 -2.2462 -1.7466 -1.7466 -1.6717 -1.6717 -1.5418 -1.5418 2.7679 2.7679 2.9929 2.9929 4.3084 4.3084 4.7435 4.7435 6.3687 6.3687 6.4229 6.4229 7.9237 7.9237 8.2604 8.2604 9.8265 9.8265 10.8732 10.8732 12.5025 12.5025 k = 0.5000 0.1389-1.0083 ( 3770 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4279 -13.4279 -4.4303 -4.4303 -4.2865 -4.2865 -3.9040 -3.9040 -3.7244 -3.7244 -2.2455 -2.2455 -1.7467 -1.7467 -1.6717 -1.6717 -1.5413 -1.5413 2.7674 2.7674 2.9958 2.9958 4.3054 4.3054 4.7417 4.7417 6.3698 6.3698 6.4315 6.4315 7.9311 7.9311 8.2501 8.2501 9.8215 9.8215 10.8687 10.8687 12.5091 12.5091 k = 0.5000 0.1389-1.0083 ( 3770 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4279 -13.4279 -4.4303 -4.4303 -4.2865 -4.2865 -3.9040 -3.9040 -3.7244 -3.7244 -2.2455 -2.2455 -1.7467 -1.7467 -1.6717 -1.6717 -1.5413 -1.5413 2.7674 2.7674 2.9958 2.9958 4.3054 4.3054 4.7417 4.7417 6.3698 6.3698 6.4315 6.4315 7.9311 7.9311 8.2501 8.2501 9.8215 9.8215 10.8687 10.8687 12.5091 12.5091 k = 0.5197 0.1444-0.9977 ( 3774 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4279 -13.4279 -4.4327 -4.4327 -4.2839 -4.2839 -3.9040 -3.9040 -3.7249 -3.7249 -2.2451 -2.2451 -1.7467 -1.7467 -1.6718 -1.6718 -1.5416 -1.5416 2.7582 2.7582 3.0072 3.0072 4.3068 4.3068 4.7434 4.7434 6.3617 6.3617 6.4299 6.4299 7.9169 7.9169 8.2644 8.2644 9.8302 9.8302 10.8726 10.8726 12.5095 12.5095 k = 0.5395 0.1499-0.9872 ( 3773 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4280 -13.4280 -4.4396 -4.4396 -4.2765 -4.2765 -3.9040 -3.9040 -3.7262 -3.7262 -2.2440 -2.2440 -1.7468 -1.7468 -1.6720 -1.6720 -1.5423 -1.5423 2.7348 2.7348 3.0371 3.0371 4.3113 4.3113 4.7482 4.7482 6.3377 6.3377 6.4254 6.4254 7.8790 7.8790 8.3027 8.3027 9.8558 9.8558 10.8844 10.8844 12.5108 12.5108 k = 0.5592 0.1554-0.9766 ( 3776 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4280 -13.4280 -4.4497 -4.4497 -4.2654 -4.2654 -3.9040 -3.9040 -3.7284 -3.7284 -2.2420 -2.2420 -1.7468 -1.7468 -1.6725 -1.6725 -1.5436 -1.5436 2.7042 2.7042 3.0784 3.0784 4.3186 4.3186 4.7563 4.7563 6.2986 6.2986 6.4184 6.4184 7.8252 7.8252 8.3572 8.3572 9.8967 9.8967 10.9040 10.9040 12.5120 12.5120 k = 0.5789 0.1608-0.9661 ( 3780 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4280 -13.4280 -4.4618 -4.4618 -4.2520 -4.2520 -3.9041 -3.9041 -3.7314 -3.7314 -2.2393 -2.2393 -1.7470 -1.7470 -1.6731 -1.6731 -1.5453 -1.5453 2.6711 2.6711 3.1264 3.1264 4.3287 4.3287 4.7678 4.7678 6.2462 6.2462 6.4091 6.4091 7.7611 7.7611 8.4228 8.4228 9.9506 9.9506 10.9311 10.9311 12.5117 12.5117 k = 0.5987 0.1663-0.9555 ( 3774 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4280 -13.4280 -4.4753 -4.4753 -4.2372 -4.2372 -3.9041 -3.9041 -3.7351 -3.7351 -2.2358 -2.2358 -1.7471 -1.7471 -1.6739 -1.6739 -1.5475 -1.5475 2.6377 2.6377 3.1784 3.1784 4.3414 4.3414 4.7827 4.7827 6.1826 6.1826 6.3977 6.3977 7.6897 7.6897 8.4967 8.4967 10.0151 10.0151 10.9653 10.9653 12.5072 12.5072 k = 0.6184 0.1718-0.9450 ( 3778 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4280 -13.4280 -4.4894 -4.4894 -4.2215 -4.2215 -3.9041 -3.9041 -3.7394 -3.7394 -2.2316 -2.2316 -1.7473 -1.7473 -1.6747 -1.6747 -1.5500 -1.5500 2.6051 2.6051 3.2330 3.2330 4.3566 4.3566 4.8013 4.8013 6.1102 6.1102 6.3843 6.3843 7.6130 7.6130 8.5770 8.5770 10.0875 10.0875 11.0063 11.0063 12.4952 12.4952 k = 0.6381 0.1773-0.9345 ( 3778 PWs) bands (ev): -16.4287 -16.4287 -16.4197 -16.4197 -13.4667 -13.4667 -13.4486 -13.4486 -13.4281 -13.4281 -4.5037 -4.5037 -4.2057 -4.2057 -3.9041 -3.9041 -3.7443 -3.7443 -2.2266 -2.2266 -1.7475 -1.7475 -1.6757 -1.6757 -1.5529 -1.5529 2.5742 2.5742 3.2891 3.2891 4.3739 4.3739 4.8237 4.8237 6.0311 6.0311 6.3691 6.3691 7.5325 7.5325 8.6626 8.6626 10.1653 10.1653 11.0531 11.0531 12.4739 12.4739 k = 0.6579 0.1828-0.9239 ( 3777 PWs) bands (ev): -16.4287 -16.4287 -16.4197 -16.4197 -13.4667 -13.4667 -13.4486 -13.4486 -13.4281 -13.4281 -4.5181 -4.5181 -4.1900 -4.1900 -3.9041 -3.9041 -3.7494 -3.7494 -2.2208 -2.2208 -1.7477 -1.7477 -1.6768 -1.6768 -1.5561 -1.5561 2.5451 2.5451 3.3458 3.3458 4.3933 4.3933 4.8501 4.8501 5.9474 5.9474 6.3522 6.3522 7.4494 7.4494 8.7522 8.7522 10.2464 10.2464 11.1045 11.1045 12.4443 12.4443 k = 0.6579 0.1828-0.9239 ( 3777 PWs) bands (ev): -16.4287 -16.4287 -16.4197 -16.4197 -13.4667 -13.4667 -13.4486 -13.4486 -13.4281 -13.4281 -4.5181 -4.5181 -4.1900 -4.1900 -3.9041 -3.9041 -3.7494 -3.7494 -2.2208 -2.2208 -1.7477 -1.7477 -1.6768 -1.6768 -1.5561 -1.5561 2.5451 2.5451 3.3458 3.3458 4.3933 4.3933 4.8501 4.8501 5.9474 5.9474 6.3522 6.3522 7.4494 7.4494 8.7522 8.7522 10.2464 10.2464 11.1045 11.1045 12.4443 12.4443 k = 0.6541 0.1817-0.8999 ( 3779 PWs) bands (ev): -16.4286 -16.4286 -16.4197 -16.4197 -13.4666 -13.4666 -13.4486 -13.4486 -13.4283 -13.4283 -4.5549 -4.5549 -4.1606 -4.1606 -3.9044 -3.9044 -3.7594 -3.7594 -2.2111 -2.2111 -1.7470 -1.7470 -1.6777 -1.6777 -1.5520 -1.5520 2.5201 2.5201 3.4203 3.4203 4.3976 4.3976 4.8408 4.8408 5.9036 5.9036 6.3579 6.3579 7.4462 7.4462 8.7679 8.7679 10.2818 10.2818 11.1190 11.1190 12.4503 12.4503 k = 0.6503 0.1807-0.8759 ( 3777 PWs) bands (ev): -16.4286 -16.4286 -16.4198 -16.4198 -13.4664 -13.4664 -13.4486 -13.4486 -13.4285 -13.4285 -4.5944 -4.5944 -4.1357 -4.1357 -3.9047 -3.9047 -3.7684 -3.7684 -2.1963 -2.1963 -1.7462 -1.7462 -1.6788 -1.6788 -1.5471 -1.5471 2.4975 2.4975 3.4932 3.4932 4.4058 4.4058 4.8350 4.8350 5.8607 5.8607 6.3640 6.3640 7.4456 7.4456 8.7836 8.7836 10.3192 10.3192 11.1380 11.1380 12.4484 12.4484 k = 0.6466 0.1796-0.8519 ( 3777 PWs) bands (ev): -16.4286 -16.4286 -16.4199 -16.4199 -13.4662 -13.4662 -13.4486 -13.4486 -13.4287 -13.4287 -4.6365 -4.6365 -4.1154 -4.1154 -3.9050 -3.9050 -3.7764 -3.7764 -2.1770 -2.1770 -1.7452 -1.7452 -1.6798 -1.6798 -1.5412 -1.5412 2.4772 2.4772 3.5638 3.5638 4.4179 4.4179 4.8327 4.8327 5.8200 5.8200 6.3706 6.3706 7.4476 7.4476 8.7992 8.7992 10.3575 10.3575 11.1618 11.1618 12.4358 12.4358 k = 0.6428 0.1786-0.8279 ( 3782 PWs) bands (ev): -16.4286 -16.4286 -16.4200 -16.4200 -13.4660 -13.4660 -13.4486 -13.4486 -13.4291 -13.4291 -4.6808 -4.6808 -4.0995 -4.0995 -3.9053 -3.9053 -3.7834 -3.7834 -2.1537 -2.1537 -1.7442 -1.7442 -1.6809 -1.6809 -1.5339 -1.5339 2.4592 2.4592 3.6313 3.6313 4.4342 4.4342 4.8337 4.8337 5.7829 5.7829 6.3777 6.3777 7.4519 7.4519 8.8145 8.8145 10.3957 10.3957 11.1901 11.1901 12.4124 12.4124 k = 0.6391 0.1775-0.8039 ( 3772 PWs) bands (ev): -16.4285 -16.4285 -16.4201 -16.4201 -13.4657 -13.4657 -13.4486 -13.4486 -13.4294 -13.4294 -4.7272 -4.7272 -4.0878 -4.0878 -3.9056 -3.9056 -3.7896 -3.7896 -2.1272 -2.1272 -1.7430 -1.7430 -1.6820 -1.6820 -1.5248 -1.5248 2.4431 2.4431 3.6950 3.6950 4.4545 4.4545 4.8377 4.8377 5.7511 5.7511 6.3852 6.3852 7.4584 7.4584 8.8294 8.8294 10.4330 10.4330 11.2227 11.2227 12.3801 12.3801 k = 0.6353 0.1765-0.7799 ( 3772 PWs) bands (ev): -16.4285 -16.4285 -16.4202 -16.4202 -13.4654 -13.4654 -13.4487 -13.4487 -13.4299 -13.4299 -4.7752 -4.7752 -4.0799 -4.0799 -3.9059 -3.9059 -3.7952 -3.7952 -2.0983 -2.0983 -1.7418 -1.7418 -1.6830 -1.6830 -1.5135 -1.5135 2.4288 2.4288 3.7543 3.7543 4.4785 4.4785 4.8446 4.8446 5.7262 5.7262 6.3931 6.3931 7.4669 7.4669 8.8440 8.8440 10.4688 10.4688 11.2590 11.2590 12.3408 12.3408 k = 0.6316 0.1755-0.7559 ( 3767 PWs) bands (ev): -16.4284 -16.4284 -16.4203 -16.4203 -13.4651 -13.4651 -13.4487 -13.4487 -13.4303 -13.4303 -4.8246 -4.8246 -4.0755 -4.0755 -3.9063 -3.9063 -3.8004 -3.8004 -2.0680 -2.0680 -1.7406 -1.7406 -1.6841 -1.6841 -1.4995 -1.4995 2.4161 2.4161 3.8089 3.8089 4.5058 4.5058 4.8540 4.8540 5.7099 5.7099 6.4013 6.4013 7.4770 7.4770 8.8581 8.8581 10.5024 10.5024 11.2977 11.2977 12.2963 12.2963 k = 0.6278 0.1744-0.7319 ( 3770 PWs) bands (ev): -16.4284 -16.4284 -16.4205 -16.4205 -13.4647 -13.4647 -13.4487 -13.4487 -13.4308 -13.4308 -4.8750 -4.8750 -4.0742 -4.0742 -3.9067 -3.9067 -3.8053 -3.8053 -2.0373 -2.0373 -1.7393 -1.7393 -1.6851 -1.6851 -1.4821 -1.4821 2.4048 2.4048 3.8588 3.8588 4.5354 4.5354 4.8656 4.8656 5.7038 5.7038 6.4097 6.4097 7.4883 7.4883 8.8719 8.8719 10.5335 10.5335 11.3374 11.3374 12.2478 12.2478 k = 0.6240 0.1734-0.7079 ( 3776 PWs) bands (ev): -16.4283 -16.4283 -16.4207 -16.4207 -13.4643 -13.4643 -13.4487 -13.4487 -13.4314 -13.4314 -4.9261 -4.9261 -4.0755 -4.0755 -3.9071 -3.9071 -3.8102 -3.8102 -2.0072 -2.0072 -1.7380 -1.7380 -1.6861 -1.6861 -1.4610 -1.4610 2.3947 2.3947 3.9040 3.9040 4.5663 4.5663 4.8791 4.8791 5.7094 5.7094 6.4183 6.4183 7.5007 7.5007 8.8854 8.8854 10.5619 10.5619 11.3758 11.3758 12.1968 12.1968 k = 0.6203 0.1723-0.6839 ( 3778 PWs) bands (ev): -16.4283 -16.4283 -16.4208 -16.4208 -13.4639 -13.4639 -13.4487 -13.4487 -13.4320 -13.4320 -4.9777 -4.9777 -4.0791 -4.0791 -3.9076 -3.9076 -3.8151 -3.8151 -1.9787 -1.9787 -1.7368 -1.7368 -1.6870 -1.6870 -1.4356 -1.4356 2.3855 2.3855 3.9451 3.9451 4.5976 4.5976 4.8945 4.8945 5.7278 5.7278 6.4270 6.4270 7.5136 7.5136 8.8984 8.8984 10.5875 10.5875 11.4099 11.4099 12.1453 12.1453 k = 0.6165 0.1713-0.6599 ( 3774 PWs) bands (ev): -16.4282 -16.4282 -16.4210 -16.4210 -13.4635 -13.4635 -13.4487 -13.4487 -13.4326 -13.4326 -5.0295 -5.0295 -4.0849 -4.0849 -3.9083 -3.9083 -3.8201 -3.8201 -1.9523 -1.9523 -1.7356 -1.7356 -1.6880 -1.6880 -1.4057 -1.4057 2.3772 2.3772 3.9825 3.9825 4.6282 4.6282 4.9120 4.9120 5.7593 5.7593 6.4358 6.4358 7.5269 7.5269 8.9110 8.9110 10.6103 10.6103 11.4360 11.4360 12.0960 12.0960 k = 0.6128 0.1702-0.6359 ( 3766 PWs) bands (ev): -16.4282 -16.4282 -16.4212 -16.4212 -13.4630 -13.4630 -13.4486 -13.4486 -13.4333 -13.4333 -5.0812 -5.0812 -4.0925 -4.0925 -3.9089 -3.9089 -3.8251 -3.8251 -1.9286 -1.9286 -1.7346 -1.7346 -1.6891 -1.6891 -1.3713 -1.3713 2.3696 2.3696 4.0168 4.0168 4.6576 4.6576 4.9319 4.9319 5.8039 5.8039 6.4446 6.4446 7.5402 7.5402 8.9230 8.9230 10.6301 10.6301 11.4494 11.4494 12.0525 12.0525 k = 0.6090 0.1692-0.6118 ( 3762 PWs) bands (ev): -16.4281 -16.4281 -16.4214 -16.4214 -13.4626 -13.4626 -13.4486 -13.4486 -13.4339 -13.4339 -5.1326 -5.1326 -4.1017 -4.1017 -3.9097 -3.9097 -3.8300 -3.8300 -1.9078 -1.9078 -1.7336 -1.7336 -1.6902 -1.6902 -1.3327 -1.3327 2.3624 2.3624 4.0486 4.0486 4.6858 4.6858 4.9547 4.9547 5.8605 5.8605 6.4533 6.4533 7.5531 7.5531 8.9345 8.9345 10.6467 10.6467 11.4457 11.4457 12.0188 12.0188 k = 0.6052 0.1681-0.5878 ( 3770 PWs) bands (ev): -16.4280 -16.4280 -16.4217 -16.4217 -13.4621 -13.4621 -13.4486 -13.4486 -13.4346 -13.4346 -5.1836 -5.1836 -4.1126 -4.1126 -3.9105 -3.9105 -3.8348 -3.8348 -1.8897 -1.8897 -1.7328 -1.7328 -1.6913 -1.6913 -1.2904 -1.2904 2.3555 2.3555 4.0783 4.0783 4.7131 4.7131 4.9807 4.9807 5.9281 5.9281 6.4618 6.4618 7.5652 7.5652 8.9451 8.9451 10.6600 10.6600 11.4222 11.4222 11.9971 11.9971 k = 0.6015 0.1671-0.5638 ( 3762 PWs) bands (ev): -16.4279 -16.4279 -16.4219 -16.4219 -13.4616 -13.4616 -13.4485 -13.4485 -13.4354 -13.4354 -5.2338 -5.2338 -4.1247 -4.1247 -3.9114 -3.9114 -3.8394 -3.8394 -1.8742 -1.8742 -1.7321 -1.7321 -1.6926 -1.6926 -1.2452 -1.2452 2.3487 2.3487 4.1067 4.1067 4.7402 4.7402 5.0102 5.0102 6.0050 6.0050 6.4700 6.4700 7.5763 7.5763 8.9548 8.9548 10.6693 10.6693 11.3798 11.3798 11.9871 11.9871 k = 0.5977 0.1661-0.5398 ( 3764 PWs) bands (ev): -16.4279 -16.4279 -16.4221 -16.4221 -13.4612 -13.4612 -13.4485 -13.4485 -13.4361 -13.4361 -5.2832 -5.2832 -4.1382 -4.1382 -3.9124 -3.9124 -3.8437 -3.8437 -1.8609 -1.8609 -1.7315 -1.7315 -1.6939 -1.6939 -1.1977 -1.1977 2.3420 2.3420 4.1342 4.1342 4.7681 4.7681 5.0431 5.0431 6.0897 6.0897 6.4778 6.4778 7.5859 7.5859 8.9634 8.9634 10.6738 10.6738 11.3224 11.3224 11.9857 11.9857 k = 0.5940 0.1650-0.5158 ( 3771 PWs) bands (ev): -16.4278 -16.4278 -16.4224 -16.4224 -13.4607 -13.4607 -13.4484 -13.4484 -13.4369 -13.4369 -5.3316 -5.3316 -4.1527 -4.1527 -3.9133 -3.9133 -3.8477 -3.8477 -1.8496 -1.8496 -1.7309 -1.7309 -1.6954 -1.6954 -1.1487 -1.1487 2.3351 2.3351 4.1616 4.1616 4.7976 4.7976 5.0792 5.0792 6.1805 6.1805 6.4851 6.4851 7.5937 7.5937 8.9706 8.9706 10.6725 10.6725 11.2556 11.2556 11.9896 11.9896 k = 0.5902 0.1640-0.4918 ( 3769 PWs) bands (ev): -16.4277 -16.4277 -16.4226 -16.4226 -13.4603 -13.4603 -13.4483 -13.4483 -13.4376 -13.4376 -5.3788 -5.3788 -4.1682 -4.1682 -3.9143 -3.9143 -3.8513 -3.8513 -1.8398 -1.8398 -1.7303 -1.7303 -1.6969 -1.6969 -1.0990 -1.0990 2.3279 2.3279 4.1895 4.1895 4.8296 4.8296 5.1183 5.1183 6.2759 6.2759 6.4919 6.4919 7.5995 7.5995 8.9763 8.9763 10.6637 10.6637 11.1849 11.1849 11.9965 11.9965 k = 0.5864 0.1629-0.4678 ( 3775 PWs) bands (ev): -16.4277 -16.4277 -16.4229 -16.4229 -13.4598 -13.4598 -13.4482 -13.4482 -13.4383 -13.4383 -5.4248 -5.4248 -4.1844 -4.1844 -3.9154 -3.9154 -3.8546 -3.8546 -1.8314 -1.8314 -1.7298 -1.7298 -1.6984 -1.6984 -1.0492 -1.0492 2.3205 2.3205 4.2186 4.2186 4.8644 4.8644 5.1600 5.1600 6.3742 6.3742 6.4981 6.4981 7.6029 7.6029 8.9803 8.9803 10.6454 10.6454 11.1155 11.1155 12.0051 12.0051 k = 0.5827 0.1619-0.4438 ( 3778 PWs) bands (ev): -16.4276 -16.4276 -16.4231 -16.4231 -13.4594 -13.4594 -13.4481 -13.4481 -13.4391 -13.4391 -5.4694 -5.4694 -4.2013 -4.2013 -3.9164 -3.9164 -3.8576 -3.8576 -1.8241 -1.8241 -1.7293 -1.7293 -1.7000 -1.7000 -0.9999 -0.9999 2.3125 2.3125 4.2497 4.2497 4.9024 4.9024 5.2043 5.2043 6.4727 6.4727 6.5050 6.5050 7.6036 7.6036 8.9823 8.9823 10.6156 10.6156 11.0520 11.0520 12.0149 12.0149 k = 0.5789 0.1608-0.4198 ( 3781 PWs) bands (ev): -16.4275 -16.4275 -16.4233 -16.4233 -13.4591 -13.4591 -13.4480 -13.4480 -13.4398 -13.4398 -5.5126 -5.5126 -4.2186 -4.2186 -3.9175 -3.9175 -3.8602 -3.8602 -1.8177 -1.8177 -1.7287 -1.7287 -1.7015 -1.7015 -0.9516 -0.9516 2.3041 2.3041 4.2834 4.2834 4.9435 4.9435 5.2509 5.2509 6.5057 6.5057 6.5768 6.5768 7.6017 7.6017 8.9821 8.9821 10.5730 10.5730 10.9975 10.9975 12.0262 12.0262 k = 0.5752 0.1598-0.3958 ( 3786 PWs) bands (ev): -16.4274 -16.4274 -16.4236 -16.4236 -13.4587 -13.4587 -13.4478 -13.4478 -13.4405 -13.4405 -5.5542 -5.5542 -4.2362 -4.2362 -3.9185 -3.9185 -3.8625 -3.8625 -1.8121 -1.8121 -1.7280 -1.7280 -1.7031 -1.7031 -0.9046 -0.9046 2.2952 2.2952 4.3203 4.3203 4.9878 4.9878 5.2996 5.2996 6.5094 6.5094 6.6753 6.6753 7.5969 7.5969 8.9795 8.9795 10.5189 10.5189 10.9529 10.9529 12.0393 12.0393 k = 0.5714 0.1587-0.3718 ( 3784 PWs) bands (ev): -16.4274 -16.4274 -16.4238 -16.4238 -13.4584 -13.4584 -13.4476 -13.4476 -13.4412 -13.4412 -5.5941 -5.5941 -4.2539 -4.2539 -3.9195 -3.9195 -3.8645 -3.8645 -1.8073 -1.8073 -1.7273 -1.7273 -1.7046 -1.7046 -0.8594 -0.8594 2.2857 2.2857 4.3611 4.3611 5.0350 5.0350 5.3503 5.3503 6.5114 6.5114 6.7711 6.7711 7.5897 7.5897 8.9742 8.9742 10.4565 10.4565 10.9170 10.9170 12.0544 12.0544 k = 0.5677 0.1577-0.3478 ( 3778 PWs) bands (ev): -16.4273 -16.4273 -16.4241 -16.4241 -13.4582 -13.4582 -13.4475 -13.4475 -13.4419 -13.4419 -5.6323 -5.6323 -4.2715 -4.2715 -3.9205 -3.9205 -3.8662 -3.8662 -1.8030 -1.8030 -1.7264 -1.7264 -1.7060 -1.7060 -0.8162 -0.8162 2.2758 2.2758 4.4060 4.4060 5.0847 5.0847 5.4029 5.4029 6.5121 6.5121 6.8615 6.8615 7.5806 7.5806 8.9661 8.9661 10.3903 10.3903 10.8872 10.8872 12.0714 12.0714 k = 0.5639 0.1567-0.3238 ( 3780 PWs) bands (ev): -16.4272 -16.4272 -16.4243 -16.4243 -13.4579 -13.4579 -13.4473 -13.4473 -13.4425 -13.4425 -5.6688 -5.6688 -4.2890 -4.2890 -3.9214 -3.9214 -3.8677 -3.8677 -1.7994 -1.7994 -1.7255 -1.7255 -1.7073 -1.7073 -0.7752 -0.7752 2.2653 2.2653 4.4553 4.4553 5.1368 5.1368 5.4573 5.4573 6.5113 6.5113 6.9437 6.9437 7.5706 7.5706 8.9551 8.9551 10.3247 10.3247 10.8614 10.8614 12.0898 12.0898 k = 0.5601 0.1556-0.2998 ( 3780 PWs) bands (ev): -16.4271 -16.4271 -16.4245 -16.4245 -13.4578 -13.4578 -13.4471 -13.4471 -13.4430 -13.4430 -5.7035 -5.7035 -4.3062 -4.3062 -3.9223 -3.9223 -3.8690 -3.8690 -1.7962 -1.7962 -1.7245 -1.7245 -1.7084 -1.7084 -0.7367 -0.7367 2.2545 2.2545 4.5094 4.5094 5.1907 5.1907 5.5134 5.5134 6.5089 6.5089 7.0140 7.0140 7.5618 7.5618 8.9412 8.9412 10.2632 10.2632 10.8381 10.8381 12.1088 12.1088 k = 0.5564 0.1546-0.2758 ( 3782 PWs) bands (ev): -16.4271 -16.4271 -16.4248 -16.4248 -13.4576 -13.4576 -13.4469 -13.4469 -13.4435 -13.4435 -5.7362 -5.7362 -4.3229 -4.3229 -3.9232 -3.9232 -3.8701 -3.8701 -1.7936 -1.7936 -1.7235 -1.7235 -1.7094 -1.7094 -0.7006 -0.7006 2.2435 2.2435 4.5680 4.5680 5.2463 5.2463 5.5710 5.5710 6.5050 6.5050 7.0680 7.0680 7.5566 7.5566 8.9246 8.9246 10.2088 10.2088 10.8166 10.8166 12.1270 12.1270 k = 0.5526 0.1535-0.2518 ( 3784 PWs) bands (ev): -16.4270 -16.4270 -16.4250 -16.4250 -13.4575 -13.4575 -13.4468 -13.4468 -13.4439 -13.4439 -5.7670 -5.7670 -4.3391 -4.3391 -3.9240 -3.9240 -3.8711 -3.8711 -1.7914 -1.7914 -1.7225 -1.7225 -1.7100 -1.7100 -0.6672 -0.6672 2.2323 2.2323 4.6312 4.6312 5.3032 5.3032 5.6301 5.6301 6.4994 6.4994 7.1014 7.1014 7.5575 7.5575 8.9060 8.9060 10.1636 10.1636 10.7967 10.7967 12.1424 12.1424 k = 0.5489 0.1525-0.2277 ( 3786 PWs) bands (ev): -16.4270 -16.4270 -16.4252 -16.4252 -13.4575 -13.4575 -13.4468 -13.4468 -13.4442 -13.4442 -5.7959 -5.7959 -4.3545 -4.3545 -3.9247 -3.9247 -3.8719 -3.8719 -1.7896 -1.7896 -1.7217 -1.7217 -1.7104 -1.7104 -0.6363 -0.6363 2.2210 2.2210 4.6987 4.6987 5.3610 5.3610 5.6904 5.6904 6.4920 6.4920 7.1118 7.1118 7.5651 7.5651 8.8863 8.8863 10.1293 10.1293 10.7785 10.7785 12.1526 12.1526 k = 0.5451 0.1514-0.2037 ( 3783 PWs) bands (ev): -16.4269 -16.4269 -16.4254 -16.4254 -13.4574 -13.4574 -13.4469 -13.4469 -13.4443 -13.4443 -5.8228 -5.8228 -4.3692 -4.3692 -3.9254 -3.9254 -3.8726 -3.8726 -1.7881 -1.7881 -1.7211 -1.7211 -1.7102 -1.7102 -0.6081 -0.6081 2.2099 2.2099 4.7701 4.7701 5.4195 5.4195 5.7517 5.7517 6.4829 6.4829 7.1002 7.1002 7.5766 7.5766 8.8667 8.8667 10.1066 10.1066 10.7626 10.7626 12.1552 12.1552 k = 0.5413 0.1504-0.1797 ( 3783 PWs) bands (ev): -16.4268 -16.4268 -16.4255 -16.4255 -13.4574 -13.4574 -13.4470 -13.4470 -13.4443 -13.4443 -5.8476 -5.8476 -4.3831 -4.3831 -3.9261 -3.9261 -3.8732 -3.8732 -1.7870 -1.7870 -1.7208 -1.7208 -1.7097 -1.7097 -0.5825 -0.5825 2.1991 2.1991 4.8450 4.8450 5.4783 5.4783 5.8139 5.8139 6.4720 6.4720 7.0702 7.0702 7.5871 7.5871 8.8489 8.8489 10.0954 10.0954 10.7496 10.7496 12.1475 12.1475 k = 0.5376 0.1494-0.1557 ( 3782 PWs) bands (ev): -16.4268 -16.4268 -16.4257 -16.4257 -13.4575 -13.4575 -13.4473 -13.4473 -13.4442 -13.4442 -5.8703 -5.8703 -4.3960 -4.3960 -3.9267 -3.9267 -3.8737 -3.8737 -1.7861 -1.7861 -1.7207 -1.7207 -1.7087 -1.7087 -0.5594 -0.5594 2.1886 2.1886 4.9226 4.9226 5.5373 5.5373 5.8765 5.8765 6.4594 6.4594 7.0260 7.0260 7.5918 7.5918 8.8341 8.8341 10.0949 10.0949 10.7405 10.7405 12.1277 12.1277 k = 0.5338 0.1483-0.1317 ( 3784 PWs) bands (ev): -16.4267 -16.4267 -16.4259 -16.4259 -13.4575 -13.4575 -13.4475 -13.4475 -13.4440 -13.4440 -5.8910 -5.8910 -4.4079 -4.4079 -3.9272 -3.9272 -3.8741 -3.8741 -1.7855 -1.7855 -1.7208 -1.7208 -1.7075 -1.7075 -0.5389 -0.5389 2.1787 2.1787 5.0022 5.0022 5.5963 5.5963 5.9391 5.9391 6.4454 6.4454 6.9710 6.9710 7.5879 7.5879 8.8232 8.8232 10.1037 10.1037 10.7366 10.7366 12.0952 12.0952 k = 0.5301 0.1473-0.1077 ( 3788 PWs) bands (ev): -16.4267 -16.4267 -16.4260 -16.4260 -13.4576 -13.4576 -13.4477 -13.4477 -13.4438 -13.4438 -5.9095 -5.9095 -4.4187 -4.4187 -3.9277 -3.9277 -3.8744 -3.8744 -1.7851 -1.7851 -1.7210 -1.7210 -1.7062 -1.7062 -0.5208 -0.5208 2.1695 2.1695 5.0827 5.0827 5.6553 5.6553 6.0010 6.0010 6.4299 6.4299 6.9077 6.9077 7.5742 7.5742 8.8166 8.8166 10.1197 10.1197 10.7389 10.7389 12.0502 12.0502 k = 0.5263 0.1462-0.0837 ( 3795 PWs) bands (ev): -16.4267 -16.4267 -16.4261 -16.4261 -13.4577 -13.4577 -13.4479 -13.4479 -13.4437 -13.4437 -5.9259 -5.9259 -4.4284 -4.4284 -3.9282 -3.9282 -3.8747 -3.8747 -1.7848 -1.7848 -1.7213 -1.7213 -1.7049 -1.7049 -0.5050 -0.5050 2.1611 2.1611 5.1627 5.1627 5.7142 5.7142 6.0614 6.0614 6.4135 6.4135 6.8382 6.8382 7.5516 7.5516 8.8138 8.8138 10.1401 10.1401 10.7490 10.7490 11.9945 11.9945 k = 0.5226 0.1452-0.0597 ( 3793 PWs) bands (ev): -16.4266 -16.4266 -16.4262 -16.4262 -13.4577 -13.4577 -13.4481 -13.4481 -13.4435 -13.4435 -5.9401 -5.9401 -4.4368 -4.4368 -3.9285 -3.9285 -3.8749 -3.8749 -1.7846 -1.7846 -1.7215 -1.7215 -1.7036 -1.7036 -0.4915 -0.4915 2.1535 2.1535 5.2405 5.2405 5.7732 5.7732 6.1192 6.1192 6.3965 6.3965 6.7640 6.7640 7.5220 7.5220 8.8140 8.8140 10.1621 10.1621 10.7677 10.7677 11.9303 11.9303 k = 0.5188 0.1441-0.0357 ( 3799 PWs) bands (ev): -16.4266 -16.4266 -16.4263 -16.4263 -13.4578 -13.4578 -13.4483 -13.4483 -13.4433 -13.4433 -5.9522 -5.9522 -4.4441 -4.4441 -3.9289 -3.9289 -3.8751 -3.8751 -1.7845 -1.7845 -1.7218 -1.7218 -1.7024 -1.7024 -0.4802 -0.4802 2.1470 2.1470 5.3140 5.3140 5.8324 5.8324 6.1728 6.1728 6.3797 6.3797 6.6872 6.6872 7.4882 7.4882 8.8162 8.8162 10.1832 10.1832 10.7952 10.7952 11.8607 11.8607 k = 0.5150 0.1431-0.0117 ( 3795 PWs) bands (ev): -16.4266 -16.4266 -16.4264 -16.4264 -13.4579 -13.4579 -13.4484 -13.4484 -13.4432 -13.4432 -5.9621 -5.9621 -4.4500 -4.4500 -3.9291 -3.9291 -3.8753 -3.8753 -1.7845 -1.7845 -1.7219 -1.7219 -1.7014 -1.7014 -0.4711 -0.4711 2.1415 2.1415 5.3805 5.3805 5.8921 5.8921 6.2201 6.2201 6.3641 6.3641 6.6098 6.6098 7.4534 7.4534 8.8194 8.8194 10.2014 10.2014 10.8302 10.8302 11.7896 11.7896 k = 0.5113 0.1420 0.0123 ( 3808 PWs) bands (ev): -16.4266 -16.4266 -16.4265 -16.4265 -13.4579 -13.4579 -13.4485 -13.4485 -13.4431 -13.4431 -5.9698 -5.9698 -4.4547 -4.4547 -3.9293 -3.9293 -3.8754 -3.8754 -1.7845 -1.7845 -1.7221 -1.7221 -1.7005 -1.7005 -0.4641 -0.4641 2.1372 2.1372 5.4369 5.4369 5.9517 5.9517 6.2573 6.2573 6.3515 6.3515 6.5351 6.5351 7.4212 7.4212 8.8228 8.8228 10.2157 10.2157 10.8695 10.8695 11.7219 11.7219 k = 0.5075 0.1410 0.0363 ( 3805 PWs) bands (ev): -16.4266 -16.4266 -16.4265 -16.4265 -13.4580 -13.4580 -13.4486 -13.4486 -13.4430 -13.4430 -5.9753 -5.9753 -4.4581 -4.4581 -3.9295 -3.9295 -3.8755 -3.8755 -1.7845 -1.7845 -1.7222 -1.7222 -1.6999 -1.6999 -0.4591 -0.4591 2.1341 2.1341 5.4801 5.4801 6.0088 6.0088 6.2785 6.2785 6.3454 6.3454 6.4692 6.4692 7.3949 7.3949 8.8256 8.8256 10.2256 10.2256 10.9073 10.9073 11.6638 11.6638 k = 0.5038 0.1400 0.0603 ( 3821 PWs) bands (ev): -16.4265 -16.4265 -16.4265 -16.4265 -13.4580 -13.4580 -13.4486 -13.4486 -13.4430 -13.4430 -5.9786 -5.9786 -4.4601 -4.4601 -3.9296 -3.9296 -3.8755 -3.8755 -1.7845 -1.7845 -1.7223 -1.7223 -1.6995 -1.6995 -0.4561 -0.4561 2.1322 2.1322 5.5074 5.5074 6.0562 6.0562 6.2798 6.2798 6.3470 6.3470 6.4224 6.4224 7.3777 7.3777 8.8275 8.8275 10.2314 10.2314 10.9355 10.9355 11.6234 11.6234 k = 0.5000 0.1389 0.0843 ( 3822 PWs) bands (ev): -16.4265 -16.4265 -16.4265 -16.4265 -13.4580 -13.4580 -13.4486 -13.4486 -13.4430 -13.4430 -5.9797 -5.9797 -4.4608 -4.4608 -3.9296 -3.9296 -3.8755 -3.8755 -1.7845 -1.7845 -1.7223 -1.7223 -1.6994 -1.6994 -0.4551 -0.4551 2.1315 2.1315 5.5167 5.5167 6.0766 6.0766 6.2753 6.2753 6.3488 6.3488 6.4059 6.4059 7.3717 7.3717 8.8281 8.8281 10.2333 10.2333 10.9462 10.9462 11.6087 11.6087 k = 0.5000-0.8304-0.5041 ( 3768 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4279 -13.4279 -4.4780 -4.4780 -4.2476 -4.2476 -3.9026 -3.9026 -3.7203 -3.7203 -2.1345 -2.1345 -1.7637 -1.7637 -1.6851 -1.6851 -1.6368 -1.6368 2.3578 2.3578 3.6415 3.6415 4.6127 4.6127 5.1799 5.1799 5.9066 5.9066 5.9993 5.9993 6.1138 6.1138 10.1146 10.1146 10.6964 10.6964 11.5006 11.5006 12.5548 12.5548 k = 0.5210-0.8212-0.4985 ( 3765 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4279 -13.4279 -4.4784 -4.4784 -4.2468 -4.2468 -3.9026 -3.9026 -3.7206 -3.7206 -2.1354 -2.1354 -1.7635 -1.7635 -1.6851 -1.6851 -1.6362 -1.6362 2.3589 2.3589 3.6391 3.6391 4.6112 4.6112 5.1847 5.1847 5.8535 5.8535 6.0380 6.0380 6.1316 6.1316 10.0960 10.0960 10.7076 10.7076 11.4956 11.4956 12.5230 12.5230 k = 0.5421-0.8119-0.4929 ( 3761 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4279 -13.4279 -4.4797 -4.4797 -4.2448 -4.2448 -3.9026 -3.9026 -3.7215 -3.7215 -2.1378 -2.1378 -1.7628 -1.7628 -1.6849 -1.6849 -1.6344 -1.6344 2.3623 2.3623 3.6321 3.6321 4.6068 4.6068 5.1990 5.1990 5.7693 5.7693 6.0705 6.0705 6.1936 6.1936 10.0449 10.0449 10.7355 10.7355 11.4819 11.4819 12.4806 12.4806 k = 0.5631-0.8026-0.4873 ( 3763 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4279 -13.4279 -4.4818 -4.4818 -4.2414 -4.2414 -3.9027 -3.9027 -3.7229 -3.7229 -2.1418 -2.1418 -1.7618 -1.7618 -1.6846 -1.6846 -1.6316 -1.6316 2.3679 2.3679 3.6209 3.6209 4.5998 4.5998 5.2221 5.2221 5.6822 5.6822 6.0875 6.0875 6.2808 6.2808 9.9712 9.9712 10.7686 10.7686 11.4629 11.4629 12.4356 12.4356 k = 0.5842-0.7934-0.4816 ( 3767 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4280 -13.4280 -4.4845 -4.4845 -4.2370 -4.2370 -3.9027 -3.9027 -3.7248 -3.7248 -2.1470 -2.1470 -1.7605 -1.7605 -1.6842 -1.6842 -1.6276 -1.6276 2.3756 2.3756 3.6058 3.6058 4.5904 4.5904 5.2527 5.2527 5.5965 5.5965 6.1027 6.1027 6.3756 6.3756 9.8830 9.8830 10.7953 10.7953 11.4432 11.4432 12.3894 12.3894 k = 0.6052-0.7841-0.4760 ( 3767 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4280 -13.4280 -4.4877 -4.4877 -4.2317 -4.2317 -3.9028 -3.9028 -3.7272 -3.7272 -2.1534 -2.1534 -1.7591 -1.7591 -1.6837 -1.6837 -1.6228 -1.6228 2.3852 2.3852 3.5876 3.5876 4.5788 4.5788 5.2884 5.2884 5.5150 5.5150 6.1196 6.1196 6.4733 6.4733 9.7860 9.7860 10.8072 10.8072 11.4269 11.4269 12.3449 12.3449 k = 0.6263-0.7749-0.4704 ( 3773 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4280 -13.4280 -4.4912 -4.4912 -4.2257 -4.2257 -3.9028 -3.9028 -3.7300 -3.7300 -2.1605 -2.1605 -1.7575 -1.7575 -1.6832 -1.6832 -1.6171 -1.6171 2.3967 2.3967 3.5669 3.5669 4.5654 4.5654 5.3197 5.3197 5.4470 5.4470 6.1385 6.1385 6.5726 6.5726 9.6835 9.6835 10.7997 10.7997 11.4156 11.4156 12.3055 12.3055 k = 0.6473-0.7656-0.4648 ( 3777 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4280 -13.4280 -4.4950 -4.4950 -4.2195 -4.2195 -3.9029 -3.9029 -3.7330 -3.7330 -2.1682 -2.1682 -1.7560 -1.7560 -1.6826 -1.6826 -1.6107 -1.6107 2.4099 2.4099 3.5442 3.5442 4.5503 4.5503 5.3060 5.3060 5.4328 5.4328 6.1595 6.1595 6.6726 6.6726 9.5777 9.5777 10.7726 10.7726 11.4066 11.4066 12.2753 12.2753 k = 0.6684-0.7563-0.4592 ( 3772 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4280 -13.4280 -4.4988 -4.4988 -4.2131 -4.2131 -3.9030 -3.9030 -3.7362 -3.7362 -2.1762 -2.1762 -1.7545 -1.7545 -1.6819 -1.6819 -1.6038 -1.6038 2.4244 2.4244 3.5203 3.5203 4.5339 4.5339 5.2446 5.2446 5.4747 5.4747 6.1822 6.1822 6.7731 6.7731 9.4703 9.4703 10.7289 10.7289 11.3949 11.3949 12.2578 12.2578 k = 0.6894-0.7471-0.4535 ( 3767 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4280 -13.4280 -4.5025 -4.5025 -4.2070 -4.2070 -3.9032 -3.9032 -3.7393 -3.7393 -2.1842 -2.1842 -1.7532 -1.7532 -1.6812 -1.6812 -1.5966 -1.5966 2.4401 2.4401 3.4957 3.4957 4.5161 4.5161 5.1756 5.1756 5.5324 5.5324 6.2063 6.2063 6.8734 6.8734 9.3624 9.3624 10.6730 10.6730 11.3756 11.3756 12.2550 12.2550 k = 0.7105-0.7378-0.4479 ( 3771 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4280 -13.4280 -4.5060 -4.5060 -4.2014 -4.2014 -3.9033 -3.9033 -3.7423 -3.7423 -2.1920 -2.1920 -1.7520 -1.7520 -1.6805 -1.6805 -1.5892 -1.5892 2.4567 2.4567 3.4707 3.4707 4.4972 4.4972 5.1082 5.1082 5.5962 5.5962 6.2312 6.2312 6.9734 6.9734 9.2549 9.2549 10.6088 10.6088 11.3462 11.3462 12.2668 12.2668 k = 0.7315-0.7285-0.4423 ( 3765 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4280 -13.4280 -4.5093 -4.5093 -4.1965 -4.1965 -3.9035 -3.9035 -3.7450 -3.7450 -2.1993 -2.1993 -1.7509 -1.7509 -1.6797 -1.6797 -1.5819 -1.5819 2.4740 2.4740 3.4457 3.4457 4.4773 4.4773 5.0450 5.0450 5.6637 5.6637 6.2566 6.2566 7.0726 7.0726 9.1486 9.1486 10.5393 10.5393 11.3072 11.3072 12.2910 12.2910 k = 0.7526-0.7193-0.4367 ( 3767 PWs) bands (ev): -16.4287 -16.4287 -16.4196 -16.4196 -13.4668 -13.4668 -13.4486 -13.4486 -13.4280 -13.4280 -4.5122 -4.5122 -4.1927 -4.1927 -3.9037 -3.9037 -3.7473 -3.7473 -2.2060 -2.2060 -1.7499 -1.7499 -1.6790 -1.6790 -1.5748 -1.5748 2.4918 2.4918 3.4207 3.4207 4.4566 4.4566 4.9869 4.9869 5.7335 5.7335 6.2818 6.2818 7.1704 7.1704 9.0444 9.0444 10.4668 10.4668 11.2607 11.2607 12.3242 12.3242 k = 0.7736-0.7100-0.4310 ( 3773 PWs) bands (ev): -16.4287 -16.4287 -16.4197 -16.4197 -13.4667 -13.4667 -13.4486 -13.4486 -13.4281 -13.4281 -4.5146 -4.5146 -4.1902 -4.1902 -3.9038 -3.9038 -3.7488 -3.7488 -2.2119 -2.2119 -1.7490 -1.7490 -1.6782 -1.6782 -1.5681 -1.5681 2.5096 2.5096 3.3959 3.3959 4.4354 4.4354 4.9347 4.9347 5.8047 5.8047 6.3065 6.3065 7.2663 7.2663 8.9429 8.9429 10.3929 10.3929 11.2096 11.2096 12.3628 12.3628 k = 0.7947-0.7008-0.4254 ( 3779 PWs) bands (ev): -16.4287 -16.4287 -16.4197 -16.4197 -13.4667 -13.4667 -13.4486 -13.4486 -13.4281 -13.4281 -4.5166 -4.5166 -4.1893 -4.1893 -3.9040 -3.9040 -3.7496 -3.7496 -2.2169 -2.2169 -1.7483 -1.7483 -1.6775 -1.6775 -1.5618 -1.5618 2.5275 2.5275 3.3710 3.3710 4.4141 4.4141 4.8890 4.8890 5.8764 5.8764 6.3301 6.3301 7.3597 7.3597 8.8452 8.8452 10.3191 10.3191 11.1567 11.1567 12.4038 12.4038 k = 0.8157-0.6915-0.4198 ( 3777 PWs) bands (ev): -16.4287 -16.4287 -16.4197 -16.4197 -13.4667 -13.4667 -13.4486 -13.4486 -13.4281 -13.4281 -4.5181 -4.5181 -4.1900 -4.1900 -3.9041 -3.9041 -3.7494 -3.7494 -2.2208 -2.2208 -1.7477 -1.7477 -1.6768 -1.6768 -1.5561 -1.5561 2.5451 2.5451 3.3458 3.3458 4.3933 4.3933 4.8501 4.8501 5.9474 5.9474 6.3522 6.3522 7.4494 7.4494 8.7522 8.7522 10.2464 10.2464 11.1045 11.1045 12.4443 12.4443 Writing output data file TlBiS2.save init_run : 0.64s CPU 0.82s WALL ( 1 calls) electrons : 168.94s CPU 170.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.08s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 168.94s CPU 170.85s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.16s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 297 calls) cegterg : 152.74s CPU 154.23s WALL ( 319 calls) Called by sum_band: Called by *egterg: h_psi : 120.38s CPU 121.73s WALL ( 5837 calls) s_psi : 3.65s CPU 3.66s WALL ( 5837 calls) g_psi : 0.18s CPU 0.15s WALL ( 5221 calls) cdiaghg : 32.26s CPU 32.46s WALL ( 5518 calls) cegterg:over : 3.79s CPU 3.79s WALL ( 5221 calls) cegterg:upda : 3.18s CPU 3.24s WALL ( 5221 calls) cegterg:last : 1.63s CPU 1.70s WALL ( 913 calls) cdiaghg:chol : 1.88s CPU 1.89s WALL ( 5518 calls) cdiaghg:inve : 1.09s CPU 1.18s WALL ( 5518 calls) cdiaghg:para : 1.92s CPU 1.88s WALL ( 11036 calls) Called by h_psi: h_psi:vloc : 112.07s CPU 113.29s WALL ( 5837 calls) h_psi:vnl : 8.17s CPU 8.29s WALL ( 5837 calls) add_vuspsi : 4.18s CPU 4.23s WALL ( 5837 calls) General routines calbec : 3.97s CPU 4.05s WALL ( 5837 calls) fft : 0.03s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 100.82s CPU 101.21s WALL ( 560772 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.14s CPU 0.17s WALL ( 594 calls) Parallel routines fft_scatter : 23.39s CPU 23.41s WALL ( 560795 calls) PWSCF : 3m 3.56s CPU 3m18.67s WALL This run was terminated on: 14:36:54 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=