Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 1:27 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: ./LiHF2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 43 43 12 907 907 139 Max 44 44 13 912 912 143 Sum 1573 1573 453 32747 32747 5075 bravais-lattice index = 14 lattice parameter (alat) = 8.9290 a.u. unit-cell volume = 231.5728 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.928955 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.798110 celldm(5)= 0.798110 celldm(6)= 0.798110 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.798110 0.602512 0.000000 ) a(3) = ( 0.798110 0.267431 0.539908 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.324638 -0.822104 ) b(2) = ( 0.000000 1.659719 -0.822104 ) b(3) = ( 0.000000 0.000000 1.852166 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Li 3.00 6.94100 Li( 1.00) F 7.00 18.99840 F( 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= 413 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 2) = ( 0.0080645 -0.0106826 -0.0066299), wk = 0.0024213 k( 3) = ( 0.0161290 -0.0213651 -0.0132597), wk = 0.0024213 k( 4) = ( 0.0241936 -0.0320477 -0.0198896), wk = 0.0024213 k( 5) = ( 0.0322581 -0.0427303 -0.0265195), wk = 0.0024213 k( 6) = ( 0.0403226 -0.0534128 -0.0331493), wk = 0.0024213 k( 7) = ( 0.0483871 -0.0640954 -0.0397792), wk = 0.0024213 k( 8) = ( 0.0564516 -0.0747780 -0.0464091), wk = 0.0024213 k( 9) = ( 0.0645161 -0.0854605 -0.0530389), wk = 0.0024213 k( 10) = ( 0.0725806 -0.0961431 -0.0596688), wk = 0.0024213 k( 11) = ( 0.0806452 -0.1068257 -0.0662987), wk = 0.0024213 k( 12) = ( 0.0887097 -0.1175082 -0.0729285), wk = 0.0024213 k( 13) = ( 0.0967742 -0.1281908 -0.0795584), wk = 0.0024213 k( 14) = ( 0.1048387 -0.1388734 -0.0861883), wk = 0.0024213 k( 15) = ( 0.1129032 -0.1495559 -0.0928181), wk = 0.0024213 k( 16) = ( 0.1209677 -0.1602385 -0.0994480), wk = 0.0024213 k( 17) = ( 0.1290323 -0.1709211 -0.1060779), wk = 0.0024213 k( 18) = ( 0.1370968 -0.1816036 -0.1127077), wk = 0.0024213 k( 19) = ( 0.1451613 -0.1922862 -0.1193376), wk = 0.0024213 k( 20) = ( 0.1532258 -0.2029688 -0.1259675), wk = 0.0024213 k( 21) = ( 0.1612903 -0.2136513 -0.1325973), wk = 0.0024213 k( 22) = ( 0.1693548 -0.2243339 -0.1392272), wk = 0.0024213 k( 23) = ( 0.1774194 -0.2350164 -0.1458571), wk = 0.0024213 k( 24) = ( 0.1854839 -0.2456990 -0.1524869), wk = 0.0024213 k( 25) = ( 0.1935484 -0.2563816 -0.1591168), wk = 0.0024213 k( 26) = ( 0.2016129 -0.2670641 -0.1657467), wk = 0.0024213 k( 27) = ( 0.2096774 -0.2777467 -0.1723765), wk = 0.0024213 k( 28) = ( 0.2177419 -0.2884293 -0.1790064), wk = 0.0024213 k( 29) = ( 0.2258064 -0.2991118 -0.1856363), wk = 0.0024213 k( 30) = ( 0.2338710 -0.3097944 -0.1922661), wk = 0.0024213 k( 31) = ( 0.2419355 -0.3204770 -0.1988960), wk = 0.0024213 k( 32) = ( 0.2500000 -0.3311595 -0.2055259), wk = 0.0024213 k( 33) = ( 0.2580645 -0.3418421 -0.2121557), wk = 0.0024213 k( 34) = ( 0.2661290 -0.3525247 -0.2187856), wk = 0.0024213 k( 35) = ( 0.2741936 -0.3632072 -0.2254155), wk = 0.0024213 k( 36) = ( 0.2822581 -0.3738898 -0.2320453), wk = 0.0024213 k( 37) = ( 0.2903226 -0.3845724 -0.2386752), wk = 0.0024213 k( 38) = ( 0.2983871 -0.3952549 -0.2453051), wk = 0.0024213 k( 39) = ( 0.3064516 -0.4059375 -0.2519349), wk = 0.0024213 k( 40) = ( 0.3145161 -0.4166201 -0.2585648), wk = 0.0024213 k( 41) = ( 0.3225807 -0.4273026 -0.2651947), wk = 0.0024213 k( 42) = ( 0.3306452 -0.4379852 -0.2718245), wk = 0.0024213 k( 43) = ( 0.3387097 -0.4486678 -0.2784544), wk = 0.0024213 k( 44) = ( 0.3467742 -0.4593503 -0.2850843), wk = 0.0024213 k( 45) = ( 0.3548387 -0.4700329 -0.2917142), wk = 0.0024213 k( 46) = ( 0.3629032 -0.4807155 -0.2983440), wk = 0.0024213 k( 47) = ( 0.3709677 -0.4913980 -0.3049739), wk = 0.0024213 k( 48) = ( 0.3790323 -0.5020806 -0.3116038), wk = 0.0024213 k( 49) = ( 0.3870968 -0.5127631 -0.3182336), wk = 0.0024213 k( 50) = ( 0.3951613 -0.5234457 -0.3248635), wk = 0.0024213 k( 51) = ( 0.4032258 -0.5341283 -0.3314934), wk = 0.0024213 k( 52) = ( 0.4112903 -0.5448108 -0.3381232), wk = 0.0024213 k( 53) = ( 0.4193548 -0.5554934 -0.3447531), wk = 0.0024213 k( 54) = ( 0.4274193 -0.5661760 -0.3513830), wk = 0.0024213 k( 55) = ( 0.4354839 -0.5768585 -0.3580128), wk = 0.0024213 k( 56) = ( 0.4435484 -0.5875411 -0.3646427), wk = 0.0024213 k( 57) = ( 0.4516129 -0.5982237 -0.3712726), wk = 0.0024213 k( 58) = ( 0.4596774 -0.6089062 -0.3779024), wk = 0.0024213 k( 59) = ( 0.4677419 -0.6195888 -0.3845323), wk = 0.0024213 k( 60) = ( 0.4758064 -0.6302714 -0.3911622), wk = 0.0024213 k( 61) = ( 0.4838710 -0.6409539 -0.3977920), wk = 0.0024213 k( 62) = ( 0.4919355 -0.6516365 -0.4044219), wk = 0.0024213 k( 63) = ( 0.5000000 -0.6623191 -0.4110518), wk = 0.0024213 k( 64) = ( 0.5000000 -0.6623191 -0.4110518), wk = 0.0024213 k( 65) = ( 0.5000000 -0.6545229 -0.4236135), wk = 0.0024213 k( 66) = ( 0.5000000 -0.6467268 -0.4361752), wk = 0.0024213 k( 67) = ( 0.5000000 -0.6389307 -0.4487370), wk = 0.0024213 k( 68) = ( 0.5000000 -0.6311345 -0.4612987), wk = 0.0024213 k( 69) = ( 0.5000000 -0.6233384 -0.4738605), wk = 0.0024213 k( 70) = ( 0.5000000 -0.6155423 -0.4864222), wk = 0.0024213 k( 71) = ( 0.5000000 -0.6077462 -0.4989839), wk = 0.0024213 k( 72) = ( 0.5000000 -0.5999500 -0.5115457), wk = 0.0024213 k( 73) = ( 0.5000000 -0.5921539 -0.5241074), wk = 0.0024213 k( 74) = ( 0.5000000 -0.5843577 -0.5366692), wk = 0.0024213 k( 75) = ( 0.5000000 -0.5765616 -0.5492309), wk = 0.0024213 k( 76) = ( 0.5000000 -0.5687655 -0.5617927), wk = 0.0024213 k( 77) = ( 0.5000000 -0.5609694 -0.5743544), wk = 0.0024213 k( 78) = ( 0.5000000 -0.5531732 -0.5869162), wk = 0.0024213 k( 79) = ( 0.5000000 -0.5453771 -0.5994779), wk = 0.0024213 k( 80) = ( 0.5000000 -0.5375810 -0.6120396), wk = 0.0024213 k( 81) = ( 0.5000000 -0.5297848 -0.6246014), wk = 0.0024213 k( 82) = ( 0.5000000 -0.5219887 -0.6371631), wk = 0.0024213 k( 83) = ( 0.5000000 -0.5141926 -0.6497249), wk = 0.0024213 k( 84) = ( 0.5000000 -0.5063964 -0.6622866), wk = 0.0024213 k( 85) = ( 0.5000000 -0.4986003 -0.6748483), wk = 0.0024213 k( 86) = ( 0.5000000 -0.4908042 -0.6874101), wk = 0.0024213 k( 87) = ( 0.5000000 -0.4830081 -0.6999718), wk = 0.0024213 k( 88) = ( 0.5000000 -0.4752119 -0.7125336), wk = 0.0024213 k( 89) = ( 0.5000000 -0.4674158 -0.7250953), wk = 0.0024213 k( 90) = ( 0.5000000 -0.4596197 -0.7376571), wk = 0.0024213 k( 91) = ( 0.5000000 -0.4518235 -0.7502188), wk = 0.0024213 k( 92) = ( 0.5000000 -0.4440274 -0.7627805), wk = 0.0024213 k( 93) = ( 0.5000000 -0.4362313 -0.7753423), wk = 0.0024213 k( 94) = ( 0.5000000 -0.4284351 -0.7879040), wk = 0.0024213 k( 95) = ( 0.5000000 -0.4206390 -0.8004658), wk = 0.0024213 k( 96) = ( 0.5000000 -0.4128429 -0.8130275), wk = 0.0024213 k( 97) = ( 0.5000000 -0.4050467 -0.8255893), wk = 0.0024213 k( 98) = ( 0.5000000 -0.3972506 -0.8381510), wk = 0.0024213 k( 99) = ( 0.5000000 -0.3894545 -0.8507128), wk = 0.0024213 k( 100) = ( 0.5000000 -0.3816583 -0.8632745), wk = 0.0024213 k( 101) = ( 0.5000000 -0.3738622 -0.8758362), wk = 0.0024213 k( 102) = ( 0.5000000 -0.3660661 -0.8883980), wk = 0.0024213 k( 103) = ( 0.5000000 -0.3582700 -0.9009597), wk = 0.0024213 k( 104) = ( 0.5000000 -0.3504738 -0.9135215), wk = 0.0024213 k( 105) = ( 0.5000000 -0.3426777 -0.9260832), wk = 0.0024213 k( 106) = ( 0.8074123 -0.2396698 -0.7181238), wk = 0.0024213 k( 107) = ( 0.8026829 -0.2334050 -0.7054761), wk = 0.0024213 k( 108) = ( 0.7979535 -0.2271403 -0.6928283), wk = 0.0024213 k( 109) = ( 0.7932241 -0.2208755 -0.6801806), wk = 0.0024213 k( 110) = ( 0.7884946 -0.2146107 -0.6675329), wk = 0.0024213 k( 111) = ( 0.7837652 -0.2083459 -0.6548851), wk = 0.0024213 k( 112) = ( 0.7790358 -0.2020812 -0.6422374), wk = 0.0024213 k( 113) = ( 0.7743064 -0.1958164 -0.6295896), wk = 0.0024213 k( 114) = ( 0.7695770 -0.1895516 -0.6169419), wk = 0.0024213 k( 115) = ( 0.7648475 -0.1832869 -0.6042941), wk = 0.0024213 k( 116) = ( 0.7601181 -0.1770221 -0.5916464), wk = 0.0024213 k( 117) = ( 0.7553887 -0.1707573 -0.5789986), wk = 0.0024213 k( 118) = ( 0.7506593 -0.1644925 -0.5663509), wk = 0.0024213 k( 119) = ( 0.7459299 -0.1582278 -0.5537031), wk = 0.0024213 k( 120) = ( 0.7412004 -0.1519630 -0.5410554), wk = 0.0024213 k( 121) = ( 0.7364710 -0.1456982 -0.5284076), wk = 0.0024213 k( 122) = ( 0.7317416 -0.1394335 -0.5157599), wk = 0.0024213 k( 123) = ( 0.7270122 -0.1331687 -0.5031121), wk = 0.0024213 k( 124) = ( 0.7222827 -0.1269039 -0.4904644), wk = 0.0024213 k( 125) = ( 0.7175533 -0.1206392 -0.4778166), wk = 0.0024213 k( 126) = ( 0.7128239 -0.1143744 -0.4651689), wk = 0.0024213 k( 127) = ( 0.7080945 -0.1081096 -0.4525211), wk = 0.0024213 k( 128) = ( 0.7033651 -0.1018448 -0.4398734), wk = 0.0024213 k( 129) = ( 0.6986357 -0.0955801 -0.4272257), wk = 0.0024213 k( 130) = ( 0.6939062 -0.0893153 -0.4145779), wk = 0.0024213 k( 131) = ( 0.6891768 -0.0830505 -0.4019302), wk = 0.0024213 k( 132) = ( 0.6844474 -0.0767858 -0.3892824), wk = 0.0024213 k( 133) = ( 0.6797180 -0.0705210 -0.3766347), wk = 0.0024213 k( 134) = ( 0.6749886 -0.0642562 -0.3639869), wk = 0.0024213 k( 135) = ( 0.6702591 -0.0579915 -0.3513392), wk = 0.0024213 k( 136) = ( 0.6655297 -0.0517267 -0.3386914), wk = 0.0024213 k( 137) = ( 0.6608003 -0.0454619 -0.3260437), wk = 0.0024213 k( 138) = ( 0.6560709 -0.0391971 -0.3133959), wk = 0.0024213 k( 139) = ( 0.6513414 -0.0329324 -0.3007482), wk = 0.0024213 k( 140) = ( 0.6466120 -0.0266676 -0.2881005), wk = 0.0024213 k( 141) = ( 0.6418826 -0.0204028 -0.2754527), wk = 0.0024213 k( 142) = ( 0.6371532 -0.0141381 -0.2628050), wk = 0.0024213 k( 143) = ( 0.6324238 -0.0078733 -0.2501572), wk = 0.0024213 k( 144) = ( 0.6276943 -0.0016085 -0.2375095), wk = 0.0024213 k( 145) = ( 0.6229649 0.0046562 -0.2248617), wk = 0.0024213 k( 146) = ( 0.6182355 0.0109210 -0.2122140), wk = 0.0024213 k( 147) = ( 0.6135061 0.0171858 -0.1995662), wk = 0.0024213 k( 148) = ( 0.6087767 0.0234506 -0.1869185), wk = 0.0024213 k( 149) = ( 0.6040473 0.0297153 -0.1742707), wk = 0.0024213 k( 150) = ( 0.5993178 0.0359801 -0.1616230), wk = 0.0024213 k( 151) = ( 0.5945884 0.0422449 -0.1489753), wk = 0.0024213 k( 152) = ( 0.5898590 0.0485096 -0.1363275), wk = 0.0024213 k( 153) = ( 0.5851296 0.0547744 -0.1236798), wk = 0.0024213 k( 154) = ( 0.5804001 0.0610392 -0.1110320), wk = 0.0024213 k( 155) = ( 0.5756707 0.0673040 -0.0983842), wk = 0.0024213 k( 156) = ( 0.5709413 0.0735687 -0.0857365), wk = 0.0024213 k( 157) = ( 0.5662119 0.0798335 -0.0730888), wk = 0.0024213 k( 158) = ( 0.5614825 0.0860983 -0.0604410), wk = 0.0024213 k( 159) = ( 0.5567530 0.0923630 -0.0477933), wk = 0.0024213 k( 160) = ( 0.5520236 0.0986278 -0.0351455), wk = 0.0024213 k( 161) = ( 0.5472942 0.1048926 -0.0224978), wk = 0.0024213 k( 162) = ( 0.5425648 0.1111574 -0.0098500), wk = 0.0024213 k( 163) = ( 0.5378354 0.1174221 0.0027977), wk = 0.0024213 k( 164) = ( 0.5331059 0.1236869 0.0154455), wk = 0.0024213 k( 165) = ( 0.5283765 0.1299517 0.0280932), wk = 0.0024213 k( 166) = ( 0.5236471 0.1362164 0.0407410), wk = 0.0024213 k( 167) = ( 0.5189177 0.1424812 0.0533887), wk = 0.0024213 k( 168) = ( 0.5141883 0.1487460 0.0660364), wk = 0.0024213 k( 169) = ( 0.5094588 0.1550107 0.0786842), wk = 0.0024213 k( 170) = ( 0.5047294 0.1612755 0.0913319), wk = 0.0024213 k( 171) = ( 0.5000000 0.1675403 0.1039797), wk = 0.0024213 k( 172) = ( 0.5000000 0.1675403 0.1039797), wk = 0.0024213 k( 173) = ( 0.4861111 0.1628864 0.1010914), wk = 0.0024213 k( 174) = ( 0.4722222 0.1582325 0.0982030), wk = 0.0024213 k( 175) = ( 0.4583333 0.1535786 0.0953147), wk = 0.0024213 k( 176) = ( 0.4444444 0.1489247 0.0924264), wk = 0.0024213 k( 177) = ( 0.4305556 0.1442708 0.0895381), wk = 0.0024213 k( 178) = ( 0.4166667 0.1396169 0.0866497), wk = 0.0024213 k( 179) = ( 0.4027778 0.1349630 0.0837614), wk = 0.0024213 k( 180) = ( 0.3888889 0.1303091 0.0808731), wk = 0.0024213 k( 181) = ( 0.3750000 0.1256552 0.0779848), wk = 0.0024213 k( 182) = ( 0.3611111 0.1210013 0.0750964), wk = 0.0024213 k( 183) = ( 0.3472222 0.1163474 0.0722081), wk = 0.0024213 k( 184) = ( 0.3333333 0.1116935 0.0693198), wk = 0.0024213 k( 185) = ( 0.3194444 0.1070396 0.0664315), wk = 0.0024213 k( 186) = ( 0.3055556 0.1023857 0.0635431), wk = 0.0024213 k( 187) = ( 0.2916667 0.0977318 0.0606548), wk = 0.0024213 k( 188) = ( 0.2777778 0.0930779 0.0577665), wk = 0.0024213 k( 189) = ( 0.2638889 0.0884240 0.0548782), wk = 0.0024213 k( 190) = ( 0.2500000 0.0837701 0.0519898), wk = 0.0024213 k( 191) = ( 0.2361111 0.0791162 0.0491015), wk = 0.0024213 k( 192) = ( 0.2222222 0.0744623 0.0462132), wk = 0.0024213 k( 193) = ( 0.2083333 0.0698085 0.0433249), wk = 0.0024213 k( 194) = ( 0.1944444 0.0651546 0.0404365), wk = 0.0024213 k( 195) = ( 0.1805556 0.0605007 0.0375482), wk = 0.0024213 k( 196) = ( 0.1666667 0.0558468 0.0346599), wk = 0.0024213 k( 197) = ( 0.1527778 0.0511929 0.0317716), wk = 0.0024213 k( 198) = ( 0.1388889 0.0465390 0.0288832), wk = 0.0024213 k( 199) = ( 0.1250000 0.0418851 0.0259949), wk = 0.0024213 k( 200) = ( 0.1111111 0.0372312 0.0231066), wk = 0.0024213 k( 201) = ( 0.0972222 0.0325773 0.0202183), wk = 0.0024213 k( 202) = ( 0.0833333 0.0279234 0.0173299), wk = 0.0024213 k( 203) = ( 0.0694444 0.0232695 0.0144416), wk = 0.0024213 k( 204) = ( 0.0555556 0.0186156 0.0115533), wk = 0.0024213 k( 205) = ( 0.0416667 0.0139617 0.0086650), wk = 0.0024213 k( 206) = ( 0.0277778 0.0093078 0.0057766), wk = 0.0024213 k( 207) = ( 0.0138889 0.0046539 0.0028883), wk = 0.0024213 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 210) = ( 0.0047437 -0.0062838 -0.0126861), wk = 0.0024213 k( 211) = ( 0.0094875 -0.0125675 -0.0253721), wk = 0.0024213 k( 212) = ( 0.0142313 -0.0188513 -0.0380582), wk = 0.0024213 k( 213) = ( 0.0189750 -0.0251350 -0.0507443), wk = 0.0024213 k( 214) = ( 0.0237188 -0.0314188 -0.0634304), wk = 0.0024213 k( 215) = ( 0.0284625 -0.0377025 -0.0761164), wk = 0.0024213 k( 216) = ( 0.0332063 -0.0439863 -0.0888025), wk = 0.0024213 k( 217) = ( 0.0379500 -0.0502700 -0.1014886), wk = 0.0024213 k( 218) = ( 0.0426938 -0.0565538 -0.1141746), wk = 0.0024213 k( 219) = ( 0.0474375 -0.0628375 -0.1268607), wk = 0.0024213 k( 220) = ( 0.0521813 -0.0691213 -0.1395468), wk = 0.0024213 k( 221) = ( 0.0569250 -0.0754050 -0.1522328), wk = 0.0024213 k( 222) = ( 0.0616688 -0.0816888 -0.1649189), wk = 0.0024213 k( 223) = ( 0.0664125 -0.0879726 -0.1776050), wk = 0.0024213 k( 224) = ( 0.0711563 -0.0942563 -0.1902911), wk = 0.0024213 k( 225) = ( 0.0759000 -0.1005401 -0.2029771), wk = 0.0024213 k( 226) = ( 0.0806438 -0.1068238 -0.2156632), wk = 0.0024213 k( 227) = ( 0.0853875 -0.1131076 -0.2283493), wk = 0.0024213 k( 228) = ( 0.0901313 -0.1193913 -0.2410353), wk = 0.0024213 k( 229) = ( 0.0948750 -0.1256751 -0.2537214), wk = 0.0024213 k( 230) = ( 0.0996188 -0.1319588 -0.2664075), wk = 0.0024213 k( 231) = ( 0.1043625 -0.1382426 -0.2790936), wk = 0.0024213 k( 232) = ( 0.1091063 -0.1445263 -0.2917796), wk = 0.0024213 k( 233) = ( 0.1138500 -0.1508101 -0.3044657), wk = 0.0024213 k( 234) = ( 0.1185938 -0.1570938 -0.3171518), wk = 0.0024213 k( 235) = ( 0.1233375 -0.1633776 -0.3298378), wk = 0.0024213 k( 236) = ( 0.1280813 -0.1696613 -0.3425239), wk = 0.0024213 k( 237) = ( 0.1328250 -0.1759451 -0.3552100), wk = 0.0024213 k( 238) = ( 0.1375688 -0.1822289 -0.3678961), wk = 0.0024213 k( 239) = ( 0.1423125 -0.1885126 -0.3805821), wk = 0.0024213 k( 240) = ( 0.1470563 -0.1947964 -0.3932682), wk = 0.0024213 k( 241) = ( 0.1518000 -0.2010801 -0.4059543), wk = 0.0024213 k( 242) = ( 0.1565438 -0.2073639 -0.4186403), wk = 0.0024213 k( 243) = ( 0.1612875 -0.2136476 -0.4313264), wk = 0.0024213 k( 244) = ( 0.1660313 -0.2199314 -0.4440125), wk = 0.0024213 k( 245) = ( 0.1707750 -0.2262151 -0.4566986), wk = 0.0024213 k( 246) = ( 0.1755188 -0.2324989 -0.4693846), wk = 0.0024213 k( 247) = ( 0.1802625 -0.2387826 -0.4820707), wk = 0.0024213 k( 248) = ( 0.1850063 -0.2450664 -0.4947568), wk = 0.0024213 k( 249) = ( 0.1897501 -0.2513502 -0.5074429), wk = 0.0024213 k( 250) = ( 0.1944938 -0.2576339 -0.5201289), wk = 0.0024213 k( 251) = ( 0.1992376 -0.2639177 -0.5328150), wk = 0.0024213 k( 252) = ( 0.2039813 -0.2702014 -0.5455011), wk = 0.0024213 k( 253) = ( 0.2087250 -0.2764852 -0.5581871), wk = 0.0024213 k( 254) = ( 0.2134688 -0.2827689 -0.5708732), wk = 0.0024213 k( 255) = ( 0.2182126 -0.2890527 -0.5835593), wk = 0.0024213 k( 256) = ( 0.2229563 -0.2953364 -0.5962454), wk = 0.0024213 k( 257) = ( 0.2277001 -0.3016202 -0.6089314), wk = 0.0024213 k( 258) = ( 0.2324438 -0.3079039 -0.6216175), wk = 0.0024213 k( 259) = ( 0.2371876 -0.3141877 -0.6343036), wk = 0.0024213 k( 260) = ( 0.2419313 -0.3204714 -0.6469896), wk = 0.0024213 k( 261) = ( 0.2466751 -0.3267552 -0.6596757), wk = 0.0024213 k( 262) = ( 0.2514188 -0.3330390 -0.6723618), wk = 0.0024213 k( 263) = ( 0.2561626 -0.3393227 -0.6850479), wk = 0.0024213 k( 264) = ( 0.2609063 -0.3456065 -0.6977339), wk = 0.0024213 k( 265) = ( 0.2656501 -0.3518902 -0.7104200), wk = 0.0024213 k( 266) = ( 0.2703938 -0.3581740 -0.7231061), wk = 0.0024213 k( 267) = ( 0.2751376 -0.3644577 -0.7357921), wk = 0.0024213 k( 268) = ( 0.2798813 -0.3707415 -0.7484782), wk = 0.0024213 k( 269) = ( 0.2846251 -0.3770252 -0.7611643), wk = 0.0024213 k( 270) = ( 0.2893688 -0.3833090 -0.7738504), wk = 0.0024213 k( 271) = ( 0.2941126 -0.3895927 -0.7865364), wk = 0.0024213 k( 272) = ( 0.2988563 -0.3958765 -0.7992225), wk = 0.0024213 k( 273) = ( 0.3036001 -0.4021602 -0.8119086), wk = 0.0024213 k( 274) = ( 0.3083438 -0.4084440 -0.8245946), wk = 0.0024213 k( 275) = ( 0.3130876 -0.4147277 -0.8372807), wk = 0.0024213 k( 276) = ( 0.3178313 -0.4210115 -0.8499668), wk = 0.0024213 k( 277) = ( 0.3225751 -0.4272953 -0.8626528), wk = 0.0024213 k( 278) = ( 0.3273188 -0.4335790 -0.8753389), wk = 0.0024213 k( 279) = ( 0.3320626 -0.4398628 -0.8880250), wk = 0.0024213 k( 280) = ( 0.3368063 -0.4461465 -0.9007111), wk = 0.0024213 k( 281) = ( 0.3415501 -0.4524303 -0.9133971), wk = 0.0024213 k( 282) = ( 0.3462938 -0.4587140 -0.9260832), wk = 0.0024213 k( 283) = ( 0.6537062 -0.2911737 -0.8221035), wk = 0.0024213 k( 284) = ( 0.6490484 -0.2772733 -0.8221035), wk = 0.0024213 k( 285) = ( 0.6443906 -0.2633729 -0.8221035), wk = 0.0024213 k( 286) = ( 0.6397329 -0.2494725 -0.8221035), wk = 0.0024213 k( 287) = ( 0.6350751 -0.2355720 -0.8221035), wk = 0.0024213 k( 288) = ( 0.6304173 -0.2216716 -0.8221035), wk = 0.0024213 k( 289) = ( 0.6257596 -0.2077712 -0.8221035), wk = 0.0024213 k( 290) = ( 0.6211018 -0.1938708 -0.8221035), wk = 0.0024213 k( 291) = ( 0.6164441 -0.1799703 -0.8221035), wk = 0.0024213 k( 292) = ( 0.6117863 -0.1660699 -0.8221035), wk = 0.0024213 k( 293) = ( 0.6071285 -0.1521695 -0.8221035), wk = 0.0024213 k( 294) = ( 0.6024708 -0.1382691 -0.8221035), wk = 0.0024213 k( 295) = ( 0.5978130 -0.1243686 -0.8221035), wk = 0.0024213 k( 296) = ( 0.5931553 -0.1104682 -0.8221035), wk = 0.0024213 k( 297) = ( 0.5884975 -0.0965678 -0.8221035), wk = 0.0024213 k( 298) = ( 0.5838397 -0.0826674 -0.8221035), wk = 0.0024213 k( 299) = ( 0.5791820 -0.0687669 -0.8221035), wk = 0.0024213 k( 300) = ( 0.5745242 -0.0548665 -0.8221035), wk = 0.0024213 k( 301) = ( 0.5698664 -0.0409661 -0.8221035), wk = 0.0024213 k( 302) = ( 0.5652087 -0.0270657 -0.8221035), wk = 0.0024213 k( 303) = ( 0.5605509 -0.0131652 -0.8221035), wk = 0.0024213 k( 304) = ( 0.5558931 0.0007352 -0.8221035), wk = 0.0024213 k( 305) = ( 0.5512354 0.0146356 -0.8221035), wk = 0.0024213 k( 306) = ( 0.5465776 0.0285360 -0.8221035), wk = 0.0024213 k( 307) = ( 0.5419199 0.0424365 -0.8221035), wk = 0.0024213 k( 308) = ( 0.5372621 0.0563369 -0.8221035), wk = 0.0024213 k( 309) = ( 0.5326043 0.0702373 -0.8221035), wk = 0.0024213 k( 310) = ( 0.5279466 0.0841377 -0.8221035), wk = 0.0024213 k( 311) = ( 0.5232888 0.0980382 -0.8221035), wk = 0.0024213 k( 312) = ( 0.5186310 0.1119386 -0.8221035), wk = 0.0024213 k( 313) = ( 0.5139733 0.1258390 -0.8221035), wk = 0.0024213 k( 314) = ( 0.5093155 0.1397394 -0.8221035), wk = 0.0024213 k( 315) = ( 0.5046578 0.1536399 -0.8221035), wk = 0.0024213 k( 316) = ( 0.5000000 0.1675403 -0.8221035), wk = 0.0024213 k( 317) = ( 0.5000000 0.1675403 -0.8221035), wk = 0.0024213 k( 318) = ( 0.5118236 0.1715021 -0.8141051), wk = 0.0024213 k( 319) = ( 0.5236471 0.1754640 -0.8061066), wk = 0.0024213 k( 320) = ( 0.5354707 0.1794258 -0.7981082), wk = 0.0024213 k( 321) = ( 0.5472942 0.1833877 -0.7901098), wk = 0.0024213 k( 322) = ( 0.5591177 0.1873495 -0.7821113), wk = 0.0024213 k( 323) = ( 0.5709413 0.1913113 -0.7741129), wk = 0.0024213 k( 324) = ( 0.5827649 0.1952732 -0.7661144), wk = 0.0024213 k( 325) = ( 0.5945884 0.1992350 -0.7581160), wk = 0.0024213 k( 326) = ( 0.6064120 0.2031969 -0.7501176), wk = 0.0024213 k( 327) = ( 0.6182355 0.2071587 -0.7421191), wk = 0.0024213 k( 328) = ( 0.6300591 0.2111206 -0.7341207), wk = 0.0024213 k( 329) = ( 0.6418826 0.2150824 -0.7261223), wk = 0.0024213 k( 330) = ( 0.6537062 0.2190442 -0.7181238), wk = 0.0024213 k( 331) = ( 0.6537062 0.2190442 -0.7181238), wk = 0.0024213 k( 332) = ( 0.6509614 0.2181245 -0.7034434), wk = 0.0024213 k( 333) = ( 0.6482166 0.2172048 -0.6887630), wk = 0.0024213 k( 334) = ( 0.6454719 0.2162851 -0.6740826), wk = 0.0024213 k( 335) = ( 0.6427272 0.2153654 -0.6594022), wk = 0.0024213 k( 336) = ( 0.6399824 0.2144457 -0.6447217), wk = 0.0024213 k( 337) = ( 0.6372376 0.2135260 -0.6300413), wk = 0.0024213 k( 338) = ( 0.6344929 0.2126062 -0.6153609), wk = 0.0024213 k( 339) = ( 0.6317481 0.2116865 -0.6006805), wk = 0.0024213 k( 340) = ( 0.6290034 0.2107668 -0.5860000), wk = 0.0024213 k( 341) = ( 0.6262586 0.2098471 -0.5713196), wk = 0.0024213 k( 342) = ( 0.6235139 0.2089274 -0.5566392), wk = 0.0024213 k( 343) = ( 0.6207691 0.2080077 -0.5419588), wk = 0.0024213 k( 344) = ( 0.6180244 0.2070880 -0.5272784), wk = 0.0024213 k( 345) = ( 0.6152796 0.2061682 -0.5125980), wk = 0.0024213 k( 346) = ( 0.6125349 0.2052485 -0.4979175), wk = 0.0024213 k( 347) = ( 0.6097901 0.2043288 -0.4832371), wk = 0.0024213 k( 348) = ( 0.6070454 0.2034091 -0.4685567), wk = 0.0024213 k( 349) = ( 0.6043006 0.2024894 -0.4538763), wk = 0.0024213 k( 350) = ( 0.6015559 0.2015697 -0.4391959), wk = 0.0024213 k( 351) = ( 0.5988111 0.2006500 -0.4245154), wk = 0.0024213 k( 352) = ( 0.5960663 0.1997303 -0.4098350), wk = 0.0024213 k( 353) = ( 0.5933216 0.1988105 -0.3951546), wk = 0.0024213 k( 354) = ( 0.5905768 0.1978908 -0.3804742), wk = 0.0024213 k( 355) = ( 0.5878321 0.1969711 -0.3657937), wk = 0.0024213 k( 356) = ( 0.5850873 0.1960514 -0.3511133), wk = 0.0024213 k( 357) = ( 0.5823426 0.1951317 -0.3364329), wk = 0.0024213 k( 358) = ( 0.5795978 0.1942120 -0.3217525), wk = 0.0024213 k( 359) = ( 0.5768531 0.1932923 -0.3070721), wk = 0.0024213 k( 360) = ( 0.5741083 0.1923725 -0.2923917), wk = 0.0024213 k( 361) = ( 0.5713636 0.1914528 -0.2777112), wk = 0.0024213 k( 362) = ( 0.5686188 0.1905331 -0.2630308), wk = 0.0024213 k( 363) = ( 0.5658741 0.1896134 -0.2483504), wk = 0.0024213 k( 364) = ( 0.5631293 0.1886937 -0.2336700), wk = 0.0024213 k( 365) = ( 0.5603846 0.1877740 -0.2189896), wk = 0.0024213 k( 366) = ( 0.5576398 0.1868543 -0.2043091), wk = 0.0024213 k( 367) = ( 0.5548951 0.1859346 -0.1896287), wk = 0.0024213 k( 368) = ( 0.5521503 0.1850148 -0.1749483), wk = 0.0024213 k( 369) = ( 0.5494056 0.1840951 -0.1602679), wk = 0.0024213 k( 370) = ( 0.5466608 0.1831754 -0.1455875), wk = 0.0024213 k( 371) = ( 0.5439160 0.1822557 -0.1309070), wk = 0.0024213 k( 372) = ( 0.5411713 0.1813360 -0.1162266), wk = 0.0024213 k( 373) = ( 0.5384265 0.1804163 -0.1015462), wk = 0.0024213 k( 374) = ( 0.5356818 0.1794966 -0.0868658), wk = 0.0024213 k( 375) = ( 0.5329370 0.1785768 -0.0721853), wk = 0.0024213 k( 376) = ( 0.5301923 0.1776571 -0.0575049), wk = 0.0024213 k( 377) = ( 0.5274475 0.1767374 -0.0428245), wk = 0.0024213 k( 378) = ( 0.5247028 0.1758177 -0.0281441), wk = 0.0024213 k( 379) = ( 0.5219580 0.1748980 -0.0134637), wk = 0.0024213 k( 380) = ( 0.5192133 0.1739783 0.0012167), wk = 0.0024213 k( 381) = ( 0.5164685 0.1730586 0.0158972), wk = 0.0024213 k( 382) = ( 0.5137238 0.1721389 0.0305776), wk = 0.0024213 k( 383) = ( 0.5109790 0.1712191 0.0452580), wk = 0.0024213 k( 384) = ( 0.5082343 0.1702994 0.0599384), wk = 0.0024213 k( 385) = ( 0.5054895 0.1693797 0.0746188), wk = 0.0024213 k( 386) = ( 0.5027447 0.1684600 0.0892993), wk = 0.0024213 k( 387) = ( 0.5000000 0.1675403 0.1039797), wk = 0.0024213 k( 388) = ( 0.5000000 -0.6623191 -0.4110518), wk = 0.0024213 k( 389) = ( 0.5122965 -0.6556175 -0.4068926), wk = 0.0024213 k( 390) = ( 0.5245930 -0.6489158 -0.4027334), wk = 0.0024213 k( 391) = ( 0.5368895 -0.6422142 -0.3985742), wk = 0.0024213 k( 392) = ( 0.5491860 -0.6355126 -0.3944150), wk = 0.0024213 k( 393) = ( 0.5614825 -0.6288110 -0.3902558), wk = 0.0024213 k( 394) = ( 0.5737790 -0.6221094 -0.3860966), wk = 0.0024213 k( 395) = ( 0.5860755 -0.6154078 -0.3819374), wk = 0.0024213 k( 396) = ( 0.5983719 -0.6087062 -0.3777783), wk = 0.0024213 k( 397) = ( 0.6106684 -0.6020046 -0.3736191), wk = 0.0024213 k( 398) = ( 0.6229649 -0.5953030 -0.3694599), wk = 0.0024213 k( 399) = ( 0.6352614 -0.5886013 -0.3653007), wk = 0.0024213 k( 400) = ( 0.6475579 -0.5818997 -0.3611415), wk = 0.0024213 k( 401) = ( 0.6598544 -0.5751981 -0.3569823), wk = 0.0024213 k( 402) = ( 0.6721509 -0.5684965 -0.3528231), wk = 0.0024213 k( 403) = ( 0.6844474 -0.5617949 -0.3486640), wk = 0.0024213 k( 404) = ( 0.6967439 -0.5550933 -0.3445048), wk = 0.0024213 k( 405) = ( 0.7090404 -0.5483917 -0.3403456), wk = 0.0024213 k( 406) = ( 0.7213369 -0.5416901 -0.3361864), wk = 0.0024213 k( 407) = ( 0.7336334 -0.5349884 -0.3320272), wk = 0.0024213 k( 408) = ( 0.7459299 -0.5282868 -0.3278680), wk = 0.0024213 k( 409) = ( 0.7582264 -0.5215852 -0.3237088), wk = 0.0024213 k( 410) = ( 0.7705228 -0.5148836 -0.3195496), wk = 0.0024213 k( 411) = ( 0.7828193 -0.5081820 -0.3153904), wk = 0.0024213 k( 412) = ( 0.7951158 -0.5014804 -0.3112313), wk = 0.0024213 k( 413) = ( 0.8074123 -0.4947788 -0.3070721), wk = 0.0024213 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 2) = ( 0.0080645 -0.0000000 0.0000000), wk = 0.0024213 k( 3) = ( 0.0161290 0.0000000 -0.0000000), wk = 0.0024213 k( 4) = ( 0.0241936 0.0000000 0.0000000), wk = 0.0024213 k( 5) = ( 0.0322581 0.0000000 -0.0000000), wk = 0.0024213 k( 6) = ( 0.0403226 0.0000000 0.0000000), wk = 0.0024213 k( 7) = ( 0.0483871 0.0000000 0.0000000), wk = 0.0024213 k( 8) = ( 0.0564516 0.0000000 0.0000000), wk = 0.0024213 k( 9) = ( 0.0645161 -0.0000000 -0.0000000), wk = 0.0024213 k( 10) = ( 0.0725806 0.0000000 0.0000000), wk = 0.0024213 k( 11) = ( 0.0806452 0.0000000 0.0000000), wk = 0.0024213 k( 12) = ( 0.0887097 -0.0000000 0.0000000), wk = 0.0024213 k( 13) = ( 0.0967742 0.0000000 0.0000000), wk = 0.0024213 k( 14) = ( 0.1048387 -0.0000000 -0.0000000), wk = 0.0024213 k( 15) = ( 0.1129032 0.0000000 -0.0000000), wk = 0.0024213 k( 16) = ( 0.1209677 0.0000000 -0.0000000), wk = 0.0024213 k( 17) = ( 0.1290323 -0.0000000 -0.0000000), wk = 0.0024213 k( 18) = ( 0.1370968 0.0000000 0.0000000), wk = 0.0024213 k( 19) = ( 0.1451613 0.0000000 0.0000000), wk = 0.0024213 k( 20) = ( 0.1532258 0.0000000 0.0000000), wk = 0.0024213 k( 21) = ( 0.1612903 0.0000000 0.0000000), wk = 0.0024213 k( 22) = ( 0.1693548 -0.0000000 0.0000000), wk = 0.0024213 k( 23) = ( 0.1774194 -0.0000000 0.0000000), wk = 0.0024213 k( 24) = ( 0.1854839 0.0000000 -0.0000000), wk = 0.0024213 k( 25) = ( 0.1935484 0.0000000 0.0000000), wk = 0.0024213 k( 26) = ( 0.2016129 -0.0000000 0.0000000), wk = 0.0024213 k( 27) = ( 0.2096774 -0.0000000 -0.0000000), wk = 0.0024213 k( 28) = ( 0.2177419 0.0000000 0.0000000), wk = 0.0024213 k( 29) = ( 0.2258064 -0.0000000 -0.0000000), wk = 0.0024213 k( 30) = ( 0.2338710 0.0000000 0.0000000), wk = 0.0024213 k( 31) = ( 0.2419355 0.0000000 -0.0000000), wk = 0.0024213 k( 32) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0024213 k( 33) = ( 0.2580645 -0.0000000 -0.0000000), wk = 0.0024213 k( 34) = ( 0.2661290 -0.0000000 -0.0000000), wk = 0.0024213 k( 35) = ( 0.2741936 0.0000000 0.0000000), wk = 0.0024213 k( 36) = ( 0.2822581 -0.0000000 -0.0000000), wk = 0.0024213 k( 37) = ( 0.2903226 0.0000000 0.0000000), wk = 0.0024213 k( 38) = ( 0.2983871 0.0000000 -0.0000000), wk = 0.0024213 k( 39) = ( 0.3064516 0.0000000 -0.0000000), wk = 0.0024213 k( 40) = ( 0.3145161 0.0000000 0.0000000), wk = 0.0024213 k( 41) = ( 0.3225807 0.0000000 -0.0000000), wk = 0.0024213 k( 42) = ( 0.3306452 0.0000000 0.0000000), wk = 0.0024213 k( 43) = ( 0.3387097 -0.0000000 0.0000000), wk = 0.0024213 k( 44) = ( 0.3467742 -0.0000000 0.0000000), wk = 0.0024213 k( 45) = ( 0.3548387 -0.0000000 -0.0000000), wk = 0.0024213 k( 46) = ( 0.3629032 0.0000000 0.0000000), wk = 0.0024213 k( 47) = ( 0.3709677 0.0000000 -0.0000000), wk = 0.0024213 k( 48) = ( 0.3790323 0.0000000 0.0000000), wk = 0.0024213 k( 49) = ( 0.3870968 0.0000000 0.0000000), wk = 0.0024213 k( 50) = ( 0.3951613 -0.0000000 0.0000000), wk = 0.0024213 k( 51) = ( 0.4032258 0.0000000 0.0000000), wk = 0.0024213 k( 52) = ( 0.4112903 0.0000000 0.0000000), wk = 0.0024213 k( 53) = ( 0.4193548 -0.0000000 -0.0000000), wk = 0.0024213 k( 54) = ( 0.4274193 0.0000000 -0.0000000), wk = 0.0024213 k( 55) = ( 0.4354839 0.0000000 0.0000000), wk = 0.0024213 k( 56) = ( 0.4435484 0.0000000 0.0000000), wk = 0.0024213 k( 57) = ( 0.4516129 -0.0000000 -0.0000000), wk = 0.0024213 k( 58) = ( 0.4596774 -0.0000000 0.0000000), wk = 0.0024213 k( 59) = ( 0.4677419 0.0000000 0.0000000), wk = 0.0024213 k( 60) = ( 0.4758064 0.0000000 0.0000000), wk = 0.0024213 k( 61) = ( 0.4838710 -0.0000000 0.0000000), wk = 0.0024213 k( 62) = ( 0.4919355 0.0000000 -0.0000000), wk = 0.0024213 k( 63) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024213 k( 64) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024213 k( 65) = ( 0.5000000 0.0046973 -0.0046973), wk = 0.0024213 k( 66) = ( 0.5000000 0.0093945 -0.0093945), wk = 0.0024213 k( 67) = ( 0.5000000 0.0140918 -0.0140918), wk = 0.0024213 k( 68) = ( 0.5000000 0.0187890 -0.0187890), wk = 0.0024213 k( 69) = ( 0.5000000 0.0234863 -0.0234863), wk = 0.0024213 k( 70) = ( 0.5000000 0.0281836 -0.0281836), wk = 0.0024213 k( 71) = ( 0.5000000 0.0328808 -0.0328808), wk = 0.0024213 k( 72) = ( 0.5000000 0.0375781 -0.0375781), wk = 0.0024213 k( 73) = ( 0.5000000 0.0422753 -0.0422753), wk = 0.0024213 k( 74) = ( 0.5000000 0.0469726 -0.0469726), wk = 0.0024213 k( 75) = ( 0.5000000 0.0516699 -0.0516699), wk = 0.0024213 k( 76) = ( 0.5000000 0.0563671 -0.0563671), wk = 0.0024213 k( 77) = ( 0.5000000 0.0610644 -0.0610644), wk = 0.0024213 k( 78) = ( 0.5000000 0.0657617 -0.0657617), wk = 0.0024213 k( 79) = ( 0.5000000 0.0704589 -0.0704589), wk = 0.0024213 k( 80) = ( 0.5000000 0.0751562 -0.0751562), wk = 0.0024213 k( 81) = ( 0.5000000 0.0798534 -0.0798534), wk = 0.0024213 k( 82) = ( 0.5000000 0.0845507 -0.0845507), wk = 0.0024213 k( 83) = ( 0.5000000 0.0892480 -0.0892479), wk = 0.0024213 k( 84) = ( 0.5000000 0.0939452 -0.0939452), wk = 0.0024213 k( 85) = ( 0.5000000 0.0986425 -0.0986425), wk = 0.0024213 k( 86) = ( 0.5000000 0.1033397 -0.1033397), wk = 0.0024213 k( 87) = ( 0.5000000 0.1080370 -0.1080370), wk = 0.0024213 k( 88) = ( 0.5000000 0.1127343 -0.1127343), wk = 0.0024213 k( 89) = ( 0.5000000 0.1174315 -0.1174315), wk = 0.0024213 k( 90) = ( 0.5000000 0.1221288 -0.1221288), wk = 0.0024213 k( 91) = ( 0.5000000 0.1268260 -0.1268260), wk = 0.0024213 k( 92) = ( 0.5000000 0.1315233 -0.1315233), wk = 0.0024213 k( 93) = ( 0.5000000 0.1362206 -0.1362206), wk = 0.0024213 k( 94) = ( 0.5000000 0.1409178 -0.1409178), wk = 0.0024213 k( 95) = ( 0.5000000 0.1456151 -0.1456151), wk = 0.0024213 k( 96) = ( 0.5000000 0.1503123 -0.1503123), wk = 0.0024213 k( 97) = ( 0.5000000 0.1550096 -0.1550096), wk = 0.0024213 k( 98) = ( 0.5000000 0.1597069 -0.1597069), wk = 0.0024213 k( 99) = ( 0.5000000 0.1644041 -0.1644041), wk = 0.0024213 k( 100) = ( 0.5000000 0.1691014 -0.1691014), wk = 0.0024213 k( 101) = ( 0.5000000 0.1737986 -0.1737986), wk = 0.0024213 k( 102) = ( 0.5000000 0.1784959 -0.1784959), wk = 0.0024213 k( 103) = ( 0.5000000 0.1831932 -0.1831932), wk = 0.0024213 k( 104) = ( 0.5000000 0.1878904 -0.1878904), wk = 0.0024213 k( 105) = ( 0.5000000 0.1925877 -0.1925877), wk = 0.0024213 k( 106) = ( 0.8074123 0.5000000 0.1925877), wk = 0.0024213 k( 107) = ( 0.8026829 0.5000000 0.1973171), wk = 0.0024213 k( 108) = ( 0.7979535 0.5000000 0.2020465), wk = 0.0024213 k( 109) = ( 0.7932241 0.5000000 0.2067759), wk = 0.0024213 k( 110) = ( 0.7884946 0.5000000 0.2115054), wk = 0.0024213 k( 111) = ( 0.7837652 0.5000000 0.2162348), wk = 0.0024213 k( 112) = ( 0.7790358 0.5000000 0.2209642), wk = 0.0024213 k( 113) = ( 0.7743064 0.5000000 0.2256936), wk = 0.0024213 k( 114) = ( 0.7695770 0.5000000 0.2304230), wk = 0.0024213 k( 115) = ( 0.7648475 0.5000000 0.2351525), wk = 0.0024213 k( 116) = ( 0.7601181 0.5000000 0.2398819), wk = 0.0024213 k( 117) = ( 0.7553887 0.5000000 0.2446113), wk = 0.0024213 k( 118) = ( 0.7506593 0.5000000 0.2493407), wk = 0.0024213 k( 119) = ( 0.7459299 0.5000000 0.2540701), wk = 0.0024213 k( 120) = ( 0.7412004 0.5000000 0.2587996), wk = 0.0024213 k( 121) = ( 0.7364710 0.5000000 0.2635290), wk = 0.0024213 k( 122) = ( 0.7317416 0.5000000 0.2682584), wk = 0.0024213 k( 123) = ( 0.7270122 0.5000000 0.2729878), wk = 0.0024213 k( 124) = ( 0.7222827 0.5000000 0.2777173), wk = 0.0024213 k( 125) = ( 0.7175533 0.5000000 0.2824467), wk = 0.0024213 k( 126) = ( 0.7128239 0.5000000 0.2871761), wk = 0.0024213 k( 127) = ( 0.7080945 0.5000000 0.2919055), wk = 0.0024213 k( 128) = ( 0.7033651 0.5000000 0.2966349), wk = 0.0024213 k( 129) = ( 0.6986357 0.5000000 0.3013644), wk = 0.0024213 k( 130) = ( 0.6939062 0.5000000 0.3060938), wk = 0.0024213 k( 131) = ( 0.6891768 0.5000000 0.3108232), wk = 0.0024213 k( 132) = ( 0.6844474 0.5000000 0.3155526), wk = 0.0024213 k( 133) = ( 0.6797180 0.5000000 0.3202820), wk = 0.0024213 k( 134) = ( 0.6749886 0.5000000 0.3250114), wk = 0.0024213 k( 135) = ( 0.6702591 0.5000000 0.3297409), wk = 0.0024213 k( 136) = ( 0.6655297 0.5000000 0.3344703), wk = 0.0024213 k( 137) = ( 0.6608003 0.5000000 0.3391997), wk = 0.0024213 k( 138) = ( 0.6560709 0.5000000 0.3439291), wk = 0.0024213 k( 139) = ( 0.6513414 0.5000000 0.3486586), wk = 0.0024213 k( 140) = ( 0.6466120 0.5000000 0.3533880), wk = 0.0024213 k( 141) = ( 0.6418826 0.5000000 0.3581174), wk = 0.0024213 k( 142) = ( 0.6371532 0.5000000 0.3628468), wk = 0.0024213 k( 143) = ( 0.6324238 0.5000000 0.3675762), wk = 0.0024213 k( 144) = ( 0.6276943 0.5000000 0.3723056), wk = 0.0024213 k( 145) = ( 0.6229649 0.5000000 0.3770351), wk = 0.0024213 k( 146) = ( 0.6182355 0.5000000 0.3817645), wk = 0.0024213 k( 147) = ( 0.6135061 0.5000000 0.3864939), wk = 0.0024213 k( 148) = ( 0.6087767 0.5000000 0.3912233), wk = 0.0024213 k( 149) = ( 0.6040473 0.5000000 0.3959527), wk = 0.0024213 k( 150) = ( 0.5993178 0.5000000 0.4006822), wk = 0.0024213 k( 151) = ( 0.5945884 0.5000000 0.4054116), wk = 0.0024213 k( 152) = ( 0.5898590 0.5000000 0.4101410), wk = 0.0024213 k( 153) = ( 0.5851296 0.5000000 0.4148704), wk = 0.0024213 k( 154) = ( 0.5804001 0.5000000 0.4195999), wk = 0.0024213 k( 155) = ( 0.5756707 0.5000000 0.4243293), wk = 0.0024213 k( 156) = ( 0.5709413 0.5000000 0.4290587), wk = 0.0024213 k( 157) = ( 0.5662119 0.5000000 0.4337881), wk = 0.0024213 k( 158) = ( 0.5614825 0.5000000 0.4385175), wk = 0.0024213 k( 159) = ( 0.5567530 0.5000000 0.4432470), wk = 0.0024213 k( 160) = ( 0.5520236 0.5000000 0.4479764), wk = 0.0024213 k( 161) = ( 0.5472942 0.5000000 0.4527058), wk = 0.0024213 k( 162) = ( 0.5425648 0.5000000 0.4574352), wk = 0.0024213 k( 163) = ( 0.5378354 0.5000000 0.4621646), wk = 0.0024213 k( 164) = ( 0.5331059 0.5000000 0.4668941), wk = 0.0024213 k( 165) = ( 0.5283765 0.5000000 0.4716235), wk = 0.0024213 k( 166) = ( 0.5236471 0.5000000 0.4763529), wk = 0.0024213 k( 167) = ( 0.5189177 0.5000000 0.4810823), wk = 0.0024213 k( 168) = ( 0.5141883 0.5000000 0.4858117), wk = 0.0024213 k( 169) = ( 0.5094588 0.5000000 0.4905412), wk = 0.0024213 k( 170) = ( 0.5047294 0.5000000 0.4952706), wk = 0.0024213 k( 171) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024213 k( 172) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024213 k( 173) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0024213 k( 174) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0024213 k( 175) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0024213 k( 176) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0024213 k( 177) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0024213 k( 178) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0024213 k( 179) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0024213 k( 180) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0024213 k( 181) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0024213 k( 182) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0024213 k( 183) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0024213 k( 184) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0024213 k( 185) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0024213 k( 186) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0024213 k( 187) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0024213 k( 188) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0024213 k( 189) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0024213 k( 190) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024213 k( 191) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0024213 k( 192) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0024213 k( 193) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0024213 k( 194) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0024213 k( 195) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0024213 k( 196) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0024213 k( 197) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0024213 k( 198) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0024213 k( 199) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0024213 k( 200) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0024213 k( 201) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0024213 k( 202) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0024213 k( 203) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0024213 k( 204) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0024213 k( 205) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0024213 k( 206) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0024213 k( 207) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0024213 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 210) = ( 0.0047437 -0.0000000 -0.0047437), wk = 0.0024213 k( 211) = ( 0.0094875 -0.0000000 -0.0094875), wk = 0.0024213 k( 212) = ( 0.0142313 -0.0000000 -0.0142313), wk = 0.0024213 k( 213) = ( 0.0189750 -0.0000000 -0.0189750), wk = 0.0024213 k( 214) = ( 0.0237188 -0.0000000 -0.0237188), wk = 0.0024213 k( 215) = ( 0.0284625 0.0000000 -0.0284625), wk = 0.0024213 k( 216) = ( 0.0332063 0.0000000 -0.0332063), wk = 0.0024213 k( 217) = ( 0.0379500 0.0000000 -0.0379500), wk = 0.0024213 k( 218) = ( 0.0426938 0.0000000 -0.0426938), wk = 0.0024213 k( 219) = ( 0.0474375 0.0000000 -0.0474375), wk = 0.0024213 k( 220) = ( 0.0521813 0.0000000 -0.0521813), wk = 0.0024213 k( 221) = ( 0.0569250 0.0000000 -0.0569250), wk = 0.0024213 k( 222) = ( 0.0616688 -0.0000000 -0.0616688), wk = 0.0024213 k( 223) = ( 0.0664125 0.0000000 -0.0664125), wk = 0.0024213 k( 224) = ( 0.0711563 0.0000000 -0.0711563), wk = 0.0024213 k( 225) = ( 0.0759000 0.0000000 -0.0759000), wk = 0.0024213 k( 226) = ( 0.0806438 -0.0000000 -0.0806438), wk = 0.0024213 k( 227) = ( 0.0853875 0.0000000 -0.0853875), wk = 0.0024213 k( 228) = ( 0.0901313 0.0000000 -0.0901313), wk = 0.0024213 k( 229) = ( 0.0948750 0.0000000 -0.0948750), wk = 0.0024213 k( 230) = ( 0.0996188 -0.0000000 -0.0996188), wk = 0.0024213 k( 231) = ( 0.1043625 0.0000000 -0.1043625), wk = 0.0024213 k( 232) = ( 0.1091063 0.0000000 -0.1091063), wk = 0.0024213 k( 233) = ( 0.1138500 0.0000000 -0.1138500), wk = 0.0024213 k( 234) = ( 0.1185938 0.0000000 -0.1185938), wk = 0.0024213 k( 235) = ( 0.1233375 -0.0000000 -0.1233375), wk = 0.0024213 k( 236) = ( 0.1280813 -0.0000000 -0.1280813), wk = 0.0024213 k( 237) = ( 0.1328250 -0.0000000 -0.1328250), wk = 0.0024213 k( 238) = ( 0.1375688 0.0000000 -0.1375688), wk = 0.0024213 k( 239) = ( 0.1423125 0.0000000 -0.1423125), wk = 0.0024213 k( 240) = ( 0.1470563 -0.0000000 -0.1470563), wk = 0.0024213 k( 241) = ( 0.1518000 0.0000000 -0.1518000), wk = 0.0024213 k( 242) = ( 0.1565438 0.0000000 -0.1565438), wk = 0.0024213 k( 243) = ( 0.1612875 -0.0000000 -0.1612875), wk = 0.0024213 k( 244) = ( 0.1660313 0.0000000 -0.1660313), wk = 0.0024213 k( 245) = ( 0.1707750 0.0000000 -0.1707750), wk = 0.0024213 k( 246) = ( 0.1755188 0.0000000 -0.1755188), wk = 0.0024213 k( 247) = ( 0.1802625 0.0000000 -0.1802625), wk = 0.0024213 k( 248) = ( 0.1850063 -0.0000000 -0.1850063), wk = 0.0024213 k( 249) = ( 0.1897501 0.0000000 -0.1897500), wk = 0.0024213 k( 250) = ( 0.1944938 0.0000000 -0.1944938), wk = 0.0024213 k( 251) = ( 0.1992376 -0.0000000 -0.1992375), wk = 0.0024213 k( 252) = ( 0.2039813 0.0000000 -0.2039813), wk = 0.0024213 k( 253) = ( 0.2087250 0.0000000 -0.2087250), wk = 0.0024213 k( 254) = ( 0.2134688 0.0000000 -0.2134688), wk = 0.0024213 k( 255) = ( 0.2182126 0.0000000 -0.2182126), wk = 0.0024213 k( 256) = ( 0.2229563 -0.0000000 -0.2229563), wk = 0.0024213 k( 257) = ( 0.2277001 0.0000000 -0.2277001), wk = 0.0024213 k( 258) = ( 0.2324438 -0.0000000 -0.2324438), wk = 0.0024213 k( 259) = ( 0.2371876 0.0000000 -0.2371876), wk = 0.0024213 k( 260) = ( 0.2419313 0.0000000 -0.2419313), wk = 0.0024213 k( 261) = ( 0.2466751 -0.0000000 -0.2466751), wk = 0.0024213 k( 262) = ( 0.2514188 -0.0000000 -0.2514188), wk = 0.0024213 k( 263) = ( 0.2561626 -0.0000000 -0.2561626), wk = 0.0024213 k( 264) = ( 0.2609063 0.0000000 -0.2609063), wk = 0.0024213 k( 265) = ( 0.2656501 0.0000000 -0.2656501), wk = 0.0024213 k( 266) = ( 0.2703938 0.0000000 -0.2703938), wk = 0.0024213 k( 267) = ( 0.2751376 -0.0000000 -0.2751376), wk = 0.0024213 k( 268) = ( 0.2798813 0.0000000 -0.2798813), wk = 0.0024213 k( 269) = ( 0.2846251 0.0000000 -0.2846251), wk = 0.0024213 k( 270) = ( 0.2893688 0.0000000 -0.2893688), wk = 0.0024213 k( 271) = ( 0.2941126 -0.0000000 -0.2941126), wk = 0.0024213 k( 272) = ( 0.2988563 -0.0000000 -0.2988563), wk = 0.0024213 k( 273) = ( 0.3036001 0.0000000 -0.3036001), wk = 0.0024213 k( 274) = ( 0.3083438 -0.0000000 -0.3083438), wk = 0.0024213 k( 275) = ( 0.3130876 0.0000000 -0.3130876), wk = 0.0024213 k( 276) = ( 0.3178313 0.0000000 -0.3178313), wk = 0.0024213 k( 277) = ( 0.3225751 -0.0000000 -0.3225751), wk = 0.0024213 k( 278) = ( 0.3273188 0.0000000 -0.3273188), wk = 0.0024213 k( 279) = ( 0.3320626 0.0000000 -0.3320626), wk = 0.0024213 k( 280) = ( 0.3368063 -0.0000000 -0.3368063), wk = 0.0024213 k( 281) = ( 0.3415501 -0.0000000 -0.3415501), wk = 0.0024213 k( 282) = ( 0.3462938 -0.0000000 -0.3462938), wk = 0.0024213 k( 283) = ( 0.6537062 0.3462938 -0.0000000), wk = 0.0024213 k( 284) = ( 0.6490484 0.3509516 -0.0000000), wk = 0.0024213 k( 285) = ( 0.6443906 0.3556094 -0.0000000), wk = 0.0024213 k( 286) = ( 0.6397329 0.3602671 0.0000000), wk = 0.0024213 k( 287) = ( 0.6350751 0.3649249 0.0000000), wk = 0.0024213 k( 288) = ( 0.6304173 0.3695826 0.0000000), wk = 0.0024213 k( 289) = ( 0.6257596 0.3742404 0.0000000), wk = 0.0024213 k( 290) = ( 0.6211018 0.3788982 0.0000000), wk = 0.0024213 k( 291) = ( 0.6164441 0.3835559 0.0000000), wk = 0.0024213 k( 292) = ( 0.6117863 0.3882137 0.0000000), wk = 0.0024213 k( 293) = ( 0.6071285 0.3928715 0.0000000), wk = 0.0024213 k( 294) = ( 0.6024708 0.3975292 0.0000000), wk = 0.0024213 k( 295) = ( 0.5978130 0.4021870 0.0000000), wk = 0.0024213 k( 296) = ( 0.5931553 0.4068447 0.0000000), wk = 0.0024213 k( 297) = ( 0.5884975 0.4115025 0.0000000), wk = 0.0024213 k( 298) = ( 0.5838397 0.4161603 -0.0000000), wk = 0.0024213 k( 299) = ( 0.5791820 0.4208180 0.0000000), wk = 0.0024213 k( 300) = ( 0.5745242 0.4254758 0.0000000), wk = 0.0024213 k( 301) = ( 0.5698664 0.4301336 0.0000000), wk = 0.0024213 k( 302) = ( 0.5652087 0.4347913 0.0000000), wk = 0.0024213 k( 303) = ( 0.5605509 0.4394491 0.0000000), wk = 0.0024213 k( 304) = ( 0.5558931 0.4441068 -0.0000000), wk = 0.0024213 k( 305) = ( 0.5512354 0.4487646 0.0000000), wk = 0.0024213 k( 306) = ( 0.5465776 0.4534224 0.0000000), wk = 0.0024213 k( 307) = ( 0.5419199 0.4580801 0.0000000), wk = 0.0024213 k( 308) = ( 0.5372621 0.4627379 0.0000000), wk = 0.0024213 k( 309) = ( 0.5326043 0.4673957 0.0000000), wk = 0.0024213 k( 310) = ( 0.5279466 0.4720534 0.0000000), wk = 0.0024213 k( 311) = ( 0.5232888 0.4767112 -0.0000000), wk = 0.0024213 k( 312) = ( 0.5186310 0.4813689 0.0000000), wk = 0.0024213 k( 313) = ( 0.5139733 0.4860267 0.0000000), wk = 0.0024213 k( 314) = ( 0.5093155 0.4906845 0.0000000), wk = 0.0024213 k( 315) = ( 0.5046578 0.4953422 0.0000000), wk = 0.0024213 k( 316) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024213 k( 317) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024213 k( 318) = ( 0.5118236 0.5118236 0.0148144), wk = 0.0024213 k( 319) = ( 0.5236471 0.5236471 0.0296289), wk = 0.0024213 k( 320) = ( 0.5354707 0.5354706 0.0444433), wk = 0.0024213 k( 321) = ( 0.5472942 0.5472942 0.0592577), wk = 0.0024213 k( 322) = ( 0.5591177 0.5591177 0.0740722), wk = 0.0024213 k( 323) = ( 0.5709413 0.5709413 0.0888866), wk = 0.0024213 k( 324) = ( 0.5827649 0.5827648 0.1037011), wk = 0.0024213 k( 325) = ( 0.5945884 0.5945884 0.1185155), wk = 0.0024213 k( 326) = ( 0.6064120 0.6064120 0.1333299), wk = 0.0024213 k( 327) = ( 0.6182355 0.6182355 0.1481444), wk = 0.0024213 k( 328) = ( 0.6300591 0.6300591 0.1629588), wk = 0.0024213 k( 329) = ( 0.6418826 0.6418826 0.1777732), wk = 0.0024213 k( 330) = ( 0.6537062 0.6537062 0.1925877), wk = 0.0024213 k( 331) = ( 0.6537062 0.6537062 0.1925877), wk = 0.0024213 k( 332) = ( 0.6509614 0.6509614 0.1980772), wk = 0.0024213 k( 333) = ( 0.6482166 0.6482166 0.2035667), wk = 0.0024213 k( 334) = ( 0.6454719 0.6454719 0.2090562), wk = 0.0024213 k( 335) = ( 0.6427272 0.6427272 0.2145457), wk = 0.0024213 k( 336) = ( 0.6399824 0.6399824 0.2200352), wk = 0.0024213 k( 337) = ( 0.6372376 0.6372376 0.2255247), wk = 0.0024213 k( 338) = ( 0.6344929 0.6344929 0.2310142), wk = 0.0024213 k( 339) = ( 0.6317481 0.6317481 0.2365037), wk = 0.0024213 k( 340) = ( 0.6290034 0.6290034 0.2419932), wk = 0.0024213 k( 341) = ( 0.6262586 0.6262586 0.2474827), wk = 0.0024213 k( 342) = ( 0.6235139 0.6235139 0.2529722), wk = 0.0024213 k( 343) = ( 0.6207691 0.6207691 0.2584617), wk = 0.0024213 k( 344) = ( 0.6180244 0.6180244 0.2639513), wk = 0.0024213 k( 345) = ( 0.6152796 0.6152796 0.2694408), wk = 0.0024213 k( 346) = ( 0.6125349 0.6125349 0.2749303), wk = 0.0024213 k( 347) = ( 0.6097901 0.6097901 0.2804198), wk = 0.0024213 k( 348) = ( 0.6070454 0.6070454 0.2859093), wk = 0.0024213 k( 349) = ( 0.6043006 0.6043006 0.2913988), wk = 0.0024213 k( 350) = ( 0.6015559 0.6015559 0.2968883), wk = 0.0024213 k( 351) = ( 0.5988111 0.5988111 0.3023778), wk = 0.0024213 k( 352) = ( 0.5960663 0.5960663 0.3078673), wk = 0.0024213 k( 353) = ( 0.5933216 0.5933216 0.3133568), wk = 0.0024213 k( 354) = ( 0.5905768 0.5905768 0.3188463), wk = 0.0024213 k( 355) = ( 0.5878321 0.5878321 0.3243358), wk = 0.0024213 k( 356) = ( 0.5850873 0.5850873 0.3298253), wk = 0.0024213 k( 357) = ( 0.5823426 0.5823426 0.3353148), wk = 0.0024213 k( 358) = ( 0.5795978 0.5795978 0.3408043), wk = 0.0024213 k( 359) = ( 0.5768531 0.5768531 0.3462938), wk = 0.0024213 k( 360) = ( 0.5741083 0.5741083 0.3517833), wk = 0.0024213 k( 361) = ( 0.5713636 0.5713636 0.3572728), wk = 0.0024213 k( 362) = ( 0.5686188 0.5686188 0.3627624), wk = 0.0024213 k( 363) = ( 0.5658741 0.5658741 0.3682519), wk = 0.0024213 k( 364) = ( 0.5631293 0.5631293 0.3737414), wk = 0.0024213 k( 365) = ( 0.5603846 0.5603846 0.3792309), wk = 0.0024213 k( 366) = ( 0.5576398 0.5576398 0.3847204), wk = 0.0024213 k( 367) = ( 0.5548951 0.5548951 0.3902099), wk = 0.0024213 k( 368) = ( 0.5521503 0.5521503 0.3956994), wk = 0.0024213 k( 369) = ( 0.5494056 0.5494056 0.4011889), wk = 0.0024213 k( 370) = ( 0.5466608 0.5466608 0.4066784), wk = 0.0024213 k( 371) = ( 0.5439160 0.5439160 0.4121679), wk = 0.0024213 k( 372) = ( 0.5411713 0.5411713 0.4176574), wk = 0.0024213 k( 373) = ( 0.5384265 0.5384265 0.4231469), wk = 0.0024213 k( 374) = ( 0.5356818 0.5356818 0.4286364), wk = 0.0024213 k( 375) = ( 0.5329370 0.5329370 0.4341259), wk = 0.0024213 k( 376) = ( 0.5301923 0.5301923 0.4396154), wk = 0.0024213 k( 377) = ( 0.5274475 0.5274475 0.4451049), wk = 0.0024213 k( 378) = ( 0.5247028 0.5247028 0.4505944), wk = 0.0024213 k( 379) = ( 0.5219580 0.5219580 0.4560839), wk = 0.0024213 k( 380) = ( 0.5192133 0.5192133 0.4615735), wk = 0.0024213 k( 381) = ( 0.5164685 0.5164685 0.4670630), wk = 0.0024213 k( 382) = ( 0.5137238 0.5137238 0.4725525), wk = 0.0024213 k( 383) = ( 0.5109790 0.5109790 0.4780420), wk = 0.0024213 k( 384) = ( 0.5082343 0.5082343 0.4835315), wk = 0.0024213 k( 385) = ( 0.5054895 0.5054895 0.4890210), wk = 0.0024213 k( 386) = ( 0.5027447 0.5027447 0.4945105), wk = 0.0024213 k( 387) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024213 k( 388) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024213 k( 389) = ( 0.5122965 0.0138518 0.0138517), wk = 0.0024213 k( 390) = ( 0.5245930 0.0277035 0.0277035), wk = 0.0024213 k( 391) = ( 0.5368895 0.0415553 0.0415553), wk = 0.0024213 k( 392) = ( 0.5491860 0.0554070 0.0554070), wk = 0.0024213 k( 393) = ( 0.5614825 0.0692588 0.0692588), wk = 0.0024213 k( 394) = ( 0.5737790 0.0831105 0.0831105), wk = 0.0024213 k( 395) = ( 0.5860755 0.0969623 0.0969623), wk = 0.0024213 k( 396) = ( 0.5983719 0.1108140 0.1108140), wk = 0.0024213 k( 397) = ( 0.6106684 0.1246658 0.1246658), wk = 0.0024213 k( 398) = ( 0.6229649 0.1385175 0.1385175), wk = 0.0024213 k( 399) = ( 0.6352614 0.1523693 0.1523693), wk = 0.0024213 k( 400) = ( 0.6475579 0.1662210 0.1662210), wk = 0.0024213 k( 401) = ( 0.6598544 0.1800728 0.1800728), wk = 0.0024213 k( 402) = ( 0.6721509 0.1939246 0.1939246), wk = 0.0024213 k( 403) = ( 0.6844474 0.2077763 0.2077763), wk = 0.0024213 k( 404) = ( 0.6967439 0.2216281 0.2216281), wk = 0.0024213 k( 405) = ( 0.7090404 0.2354798 0.2354798), wk = 0.0024213 k( 406) = ( 0.7213369 0.2493316 0.2493316), wk = 0.0024213 k( 407) = ( 0.7336334 0.2631833 0.2631833), wk = 0.0024213 k( 408) = ( 0.7459299 0.2770351 0.2770351), wk = 0.0024213 k( 409) = ( 0.7582264 0.2908868 0.2908868), wk = 0.0024213 k( 410) = ( 0.7705228 0.3047386 0.3047386), wk = 0.0024213 k( 411) = ( 0.7828193 0.3185903 0.3185903), wk = 0.0024213 k( 412) = ( 0.7951158 0.3324421 0.3324421), wk = 0.0024213 k( 413) = ( 0.8074123 0.3462938 0.3462938), wk = 0.0024213 Dense grid: 32747 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 238, 26) NL pseudopotentials 0.08 Mb ( 119, 44) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 908) G-vector shells 0.01 Mb ( 760) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 238, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.03 Mb ( 44, 2, 26) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./LiHF2.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.1 secs Computing kpt #: 7 total cpu time spent up to now is 4.3 secs Computing kpt #: 8 total cpu time spent up to now is 4.5 secs Computing kpt #: 9 total cpu time spent up to now is 4.7 secs Computing kpt #: 10 total cpu time spent up to now is 4.9 secs Computing kpt #: 11 total cpu time spent up to now is 5.1 secs Computing kpt #: 12 total cpu time spent up to now is 5.3 secs Computing kpt #: 13 total cpu time spent up to now is 5.5 secs Computing kpt #: 14 total cpu time spent up to now is 5.7 secs Computing kpt #: 15 total cpu time spent up to now is 5.9 secs Computing kpt #: 16 total cpu time spent up to now is 6.1 secs Computing kpt #: 17 total cpu time spent up to now is 6.3 secs Computing kpt #: 18 total cpu time spent up to now is 6.5 secs Computing kpt #: 19 total cpu time spent up to now is 6.7 secs Computing kpt #: 20 total cpu time spent up to now is 6.9 secs Computing kpt #: 21 total cpu time spent up to now is 7.1 secs Computing kpt #: 22 total cpu time spent up to now is 7.3 secs Computing kpt #: 23 total cpu time spent up to now is 7.5 secs Computing kpt #: 24 total cpu time spent up to now is 7.7 secs Computing kpt #: 25 total cpu time spent up to now is 7.9 secs Computing kpt #: 26 total cpu time spent up to now is 8.0 secs Computing kpt #: 27 total cpu time spent up to now is 8.2 secs Computing kpt #: 28 total cpu time spent up to now is 8.4 secs Computing kpt #: 29 total cpu time spent up to now is 8.7 secs Computing kpt #: 30 total cpu time spent up to now is 8.9 secs Computing kpt #: 31 total cpu time spent up to now is 9.1 secs Computing kpt #: 32 total cpu time spent up 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total cpu time spent up to now is 12.8 secs Computing kpt #: 49 total cpu time spent up to now is 13.0 secs Computing kpt #: 50 total cpu time spent up to now is 13.2 secs Computing kpt #: 51 total cpu time spent up to now is 13.5 secs Computing kpt #: 52 total cpu time spent up to now is 13.7 secs Computing kpt #: 53 total cpu time spent up to now is 13.9 secs Computing kpt #: 54 total cpu time spent up to now is 14.1 secs Computing kpt #: 55 total cpu time spent up to now is 14.4 secs Computing kpt #: 56 total cpu time spent up to now is 14.6 secs Computing kpt #: 57 total cpu time spent up to now is 14.8 secs Computing kpt #: 58 total cpu time spent up to now is 15.0 secs Computing kpt #: 59 total cpu time spent up to now is 15.2 secs Computing kpt #: 60 total cpu time spent up to now is 15.5 secs Computing kpt #: 61 total cpu time spent up to now is 15.7 secs Computing kpt #: 62 total cpu time spent up to now is 15.9 secs Computing kpt #: 63 total cpu time spent up to now is 16.1 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total cpu time spent up to now is 33.2 secs Computing kpt #: 142 total cpu time spent up to now is 33.4 secs Computing kpt #: 143 total cpu time spent up to now is 33.7 secs Computing kpt #: 144 total cpu time spent up to now is 33.9 secs Computing kpt #: 145 total cpu time spent up to now is 34.1 secs Computing kpt #: 146 total cpu time spent up to now is 34.3 secs Computing kpt #: 147 total cpu time spent up to now is 34.5 secs Computing kpt #: 148 total cpu time spent up to now is 34.7 secs Computing kpt #: 149 total cpu time spent up to now is 34.9 secs Computing kpt #: 150 total cpu time spent up to now is 35.1 secs Computing kpt #: 151 total cpu time spent up to now is 35.3 secs Computing kpt #: 152 total cpu time spent up to now is 35.5 secs Computing kpt #: 153 total cpu time spent up to now is 35.7 secs Computing kpt #: 154 total cpu time spent up to now is 35.9 secs Computing kpt #: 155 total cpu time spent up to now is 36.1 secs Computing kpt #: 156 total cpu time spent up 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total cpu time spent up to now is 43.1 secs Computing kpt #: 188 total cpu time spent up to now is 43.3 secs Computing kpt #: 189 total cpu time spent up to now is 43.5 secs Computing kpt #: 190 total cpu time spent up to now is 43.7 secs Computing kpt #: 191 total cpu time spent up to now is 44.0 secs Computing kpt #: 192 total cpu time spent up to now is 44.2 secs Computing kpt #: 193 total cpu time spent up to now is 44.4 secs Computing kpt #: 194 total cpu time spent up to now is 44.6 secs Computing kpt #: 195 total cpu time spent up to now is 44.8 secs Computing kpt #: 196 total cpu time spent up to now is 45.0 secs Computing kpt #: 197 total cpu time spent up to now is 45.2 secs Computing kpt #: 198 total cpu time spent up to now is 45.5 secs Computing kpt #: 199 total cpu time spent up to now is 45.7 secs Computing kpt #: 200 total cpu time spent up to now is 45.9 secs Computing kpt #: 201 total cpu time spent up to now is 46.1 secs Computing kpt #: 202 total cpu time spent up to now is 46.3 secs Computing kpt #: 203 total cpu time spent up to now is 46.5 secs Computing kpt #: 204 total cpu time spent up to now is 46.7 secs Computing kpt #: 205 total cpu time spent up to now is 46.9 secs Computing kpt #: 206 total cpu time spent up to now is 47.1 secs Computing kpt #: 207 total cpu time spent up to now is 47.3 secs Computing kpt #: 208 total cpu time spent up to now is 47.5 secs Computing kpt #: 209 total cpu time spent up to now is 47.7 secs Computing kpt #: 210 total cpu time spent up to now is 47.9 secs Computing kpt #: 211 total cpu time spent up to now is 48.1 secs Computing kpt #: 212 total cpu time spent up to now is 48.3 secs Computing kpt #: 213 total cpu time spent up to now is 48.5 secs Computing kpt #: 214 total cpu time spent up to now is 48.7 secs Computing kpt #: 215 total cpu time spent up to now is 48.9 secs Computing kpt #: 216 total cpu time spent up to now is 49.1 secs Computing kpt #: 217 total cpu time spent up to now is 49.3 secs Computing kpt #: 218 total cpu time spent up to now is 49.5 secs Computing kpt #: 219 total cpu time spent up to now is 49.7 secs Computing kpt #: 220 total cpu time spent up to now is 49.9 secs Computing kpt #: 221 total cpu time spent up to now is 50.1 secs Computing kpt #: 222 total cpu time spent up to now is 50.3 secs Computing kpt #: 223 total cpu time spent up to now is 50.5 secs Computing kpt #: 224 total cpu time spent up to now is 50.7 secs Computing kpt #: 225 total cpu time spent up to now is 50.9 secs Computing kpt #: 226 total cpu time spent up to now is 51.1 secs Computing kpt #: 227 total cpu time spent up to now is 51.3 secs Computing kpt #: 228 total cpu time spent up to now is 51.5 secs Computing kpt #: 229 total cpu time spent up to now is 51.7 secs Computing kpt #: 230 total cpu time spent up to now is 51.9 secs Computing kpt #: 231 total cpu time spent up to now is 52.1 secs Computing kpt #: 232 total cpu time spent up to now is 52.3 secs Computing kpt #: 233 total cpu time spent up to now is 52.5 secs Computing kpt #: 234 total cpu time spent up to now is 52.7 secs Computing kpt #: 235 total cpu time spent up to now is 52.9 secs Computing kpt #: 236 total cpu time spent up to now is 53.1 secs Computing kpt #: 237 total cpu time spent up to now is 53.3 secs Computing kpt #: 238 total cpu time spent up to now is 53.5 secs Computing kpt #: 239 total cpu time spent up to now is 53.8 secs Computing kpt #: 240 total cpu time spent up to now is 54.1 secs Computing kpt #: 241 total cpu time spent up to now is 54.3 secs Computing kpt #: 242 total cpu time spent up to now is 54.6 secs Computing kpt #: 243 total cpu time spent up to now is 54.8 secs Computing kpt #: 244 total cpu time spent up to now is 55.0 secs Computing kpt #: 245 total cpu time spent up to now is 55.2 secs Computing kpt #: 246 total cpu time spent up to now is 55.5 secs Computing kpt #: 247 total cpu time spent up to now is 55.7 secs Computing kpt #: 248 total cpu time spent up to now is 55.9 secs Computing kpt #: 249 total cpu time spent up to now is 56.1 secs Computing kpt #: 250 total cpu time spent up to now is 56.3 secs Computing kpt #: 251 total cpu time spent up to now is 56.6 secs Computing kpt #: 252 total cpu time spent up to now is 56.8 secs Computing kpt #: 253 total cpu time spent up to now is 57.0 secs Computing kpt #: 254 total cpu time spent up to now is 57.2 secs Computing kpt #: 255 total cpu time spent up to now is 57.4 secs Computing kpt #: 256 total cpu time spent up to now is 57.7 secs Computing kpt #: 257 total cpu time spent up to now is 57.9 secs Computing kpt #: 258 total cpu time spent up to now is 58.1 secs Computing kpt #: 259 total cpu time spent up to now is 58.3 secs Computing kpt #: 260 total cpu time spent up to now is 58.5 secs Computing kpt #: 261 total cpu time spent up to now is 58.7 secs Computing kpt #: 262 total cpu time spent up to now is 58.9 secs Computing kpt #: 263 total cpu time spent up to now is 59.2 secs Computing kpt #: 264 total cpu time spent up to now is 59.4 secs Computing kpt #: 265 total cpu time spent up to now is 59.6 secs Computing kpt #: 266 total cpu time spent up to now is 59.8 secs Computing kpt #: 267 total cpu time spent up to now is 60.0 secs Computing kpt #: 268 total cpu time spent up to now is 60.2 secs Computing kpt #: 269 total cpu time spent up to now is 60.4 secs Computing kpt #: 270 total cpu time spent up to now is 60.6 secs Computing kpt #: 271 total cpu time spent up to now is 60.9 secs Computing kpt #: 272 total cpu time spent up to now is 61.1 secs Computing kpt #: 273 total cpu time spent up to now is 61.3 secs Computing kpt #: 274 total cpu time spent up to now is 61.5 secs Computing kpt #: 275 total cpu time spent up to now is 61.7 secs Computing kpt #: 276 total cpu time spent up to now is 61.9 secs Computing kpt #: 277 total cpu time spent up to now is 62.1 secs Computing kpt #: 278 total cpu time spent up to now is 62.3 secs Computing kpt #: 279 total cpu time spent up to now is 62.5 secs Computing kpt #: 280 total cpu time spent up to now is 62.7 secs Computing kpt #: 281 total cpu time spent up to now is 62.9 secs Computing kpt #: 282 total cpu time spent up to now is 63.1 secs Computing kpt #: 283 total cpu time spent up to now is 63.4 secs Computing kpt #: 284 total cpu time spent up to now is 63.6 secs Computing kpt #: 285 total cpu time spent up to now is 63.8 secs Computing kpt #: 286 total cpu time spent up to now is 64.0 secs Computing kpt #: 287 total cpu time spent up to now is 64.2 secs Computing kpt #: 288 total cpu time spent up to now is 64.4 secs Computing kpt #: 289 total cpu time spent up to now is 64.6 secs Computing kpt #: 290 total cpu time spent up to now is 64.8 secs Computing kpt #: 291 total cpu time spent up to now is 65.0 secs Computing kpt #: 292 total cpu time spent up to now is 65.2 secs Computing kpt #: 293 total cpu time spent up to now is 65.4 secs Computing kpt #: 294 total cpu time spent up to now is 65.6 secs Computing kpt #: 295 total cpu time spent up to now is 65.8 secs Computing kpt #: 296 total cpu time spent up to now is 66.0 secs Computing kpt #: 297 total cpu time spent up to now is 66.2 secs Computing kpt #: 298 total cpu time spent up to now is 66.4 secs Computing kpt #: 299 total cpu time spent up to now is 66.6 secs Computing kpt #: 300 total cpu time spent up to now is 66.8 secs Computing kpt #: 301 total cpu time spent up to now is 67.0 secs Computing kpt #: 302 total cpu time spent up to now is 67.2 secs Computing kpt #: 303 total cpu time spent up to now is 67.4 secs Computing kpt #: 304 total cpu time spent up to now is 67.6 secs Computing kpt #: 305 total cpu time spent up to now is 67.9 secs Computing kpt #: 306 total cpu time spent up to now is 68.1 secs Computing kpt #: 307 total cpu time spent up to now is 68.3 secs Computing kpt #: 308 total cpu time spent up to now is 68.5 secs Computing kpt #: 309 total cpu time spent up to now is 68.7 secs Computing kpt #: 310 total cpu time spent up to now is 68.9 secs Computing kpt #: 311 total cpu time spent up to now is 69.1 secs Computing kpt #: 312 total cpu time spent up to now is 69.3 secs Computing kpt #: 313 total cpu time spent up to now is 69.5 secs Computing kpt #: 314 total cpu time spent up to now is 69.7 secs Computing kpt #: 315 total cpu time spent up to now is 69.9 secs Computing kpt #: 316 total cpu time spent up to now is 70.1 secs Computing kpt #: 317 total cpu time spent up to now is 70.3 secs Computing kpt #: 318 total cpu time spent up to now is 70.6 secs Computing kpt #: 319 total cpu time spent up to now is 70.8 secs Computing kpt #: 320 total cpu time spent up to now is 71.0 secs Computing kpt #: 321 total cpu time spent up to now is 71.2 secs Computing kpt #: 322 total cpu time spent up to now is 71.4 secs Computing kpt #: 323 total cpu time spent up to now is 71.6 secs Computing kpt #: 324 total cpu time spent up to now is 71.8 secs Computing kpt #: 325 total cpu time spent up to now is 72.0 secs Computing kpt #: 326 total cpu time spent up to now is 72.2 secs Computing kpt #: 327 total cpu time spent up to now is 72.4 secs Computing kpt #: 328 total cpu time spent up to now is 72.7 secs Computing kpt #: 329 total cpu time spent up to now is 72.9 secs Computing kpt #: 330 total cpu time spent up to now is 73.1 secs Computing kpt #: 331 total cpu time spent up to now is 73.3 secs Computing kpt #: 332 total cpu time spent up to now is 73.5 secs Computing kpt #: 333 total cpu time spent up to now is 73.8 secs Computing kpt #: 334 total cpu time spent up to now is 74.0 secs Computing kpt #: 335 total cpu time spent up to now is 74.2 secs Computing kpt #: 336 total cpu time spent up to now is 74.4 secs Computing kpt #: 337 total cpu time spent up to now is 74.7 secs Computing kpt #: 338 total cpu time spent up to now is 74.9 secs Computing kpt #: 339 total cpu time spent up to now is 75.1 secs Computing kpt #: 340 total cpu time spent up to now is 75.3 secs Computing kpt #: 341 total cpu time spent up to now is 75.5 secs Computing kpt #: 342 total cpu time spent up to now is 75.7 secs Computing kpt #: 343 total cpu time spent up to now is 76.0 secs Computing kpt #: 344 total cpu time spent up to now is 76.2 secs Computing kpt #: 345 total cpu time spent up to now is 76.4 secs Computing kpt #: 346 total cpu time spent up to now is 76.6 secs Computing kpt #: 347 total cpu time spent up to now is 76.8 secs Computing kpt #: 348 total cpu time spent up to now is 77.0 secs Computing kpt #: 349 total cpu time spent up to now is 77.2 secs Computing kpt #: 350 total cpu time spent up to now is 77.4 secs Computing kpt #: 351 total cpu time spent up to now is 77.6 secs Computing kpt #: 352 total cpu time spent up to now is 77.8 secs Computing kpt #: 353 total cpu time spent up to now is 78.0 secs Computing kpt #: 354 total cpu time spent up to now is 78.2 secs Computing kpt #: 355 total cpu time spent up to now is 78.4 secs Computing kpt #: 356 total cpu time spent up to now is 78.6 secs Computing kpt #: 357 total cpu time spent up to now is 78.8 secs Computing kpt #: 358 total cpu time spent up to now is 79.0 secs Computing kpt #: 359 total cpu time spent up to now is 79.2 secs Computing kpt #: 360 total cpu time spent up to now is 79.4 secs Computing kpt #: 361 total cpu time spent up to now is 79.6 secs Computing kpt #: 362 total cpu time spent up to now is 79.8 secs Computing kpt #: 363 total cpu time spent up to now is 80.0 secs Computing kpt #: 364 total cpu time spent up to now is 80.2 secs Computing kpt #: 365 total cpu time spent up to now is 80.4 secs Computing kpt #: 366 total cpu time spent up to now is 80.6 secs Computing kpt #: 367 total cpu time spent up to now is 80.8 secs Computing kpt #: 368 total cpu time spent up to now is 81.0 secs Computing kpt #: 369 total cpu time spent up to now is 81.2 secs Computing kpt #: 370 total cpu time spent up to now is 81.4 secs Computing kpt #: 371 total cpu time spent up to now is 81.6 secs Computing kpt #: 372 total cpu time spent up to now is 81.8 secs Computing kpt #: 373 total cpu time spent up to now is 82.0 secs Computing kpt #: 374 total cpu time spent up to now is 82.2 secs Computing kpt #: 375 total cpu time spent up to now is 82.4 secs Computing kpt #: 376 total cpu time spent up to now is 82.6 secs Computing kpt #: 377 total cpu time spent up to now is 82.8 secs Computing kpt #: 378 total cpu time spent up to now is 83.0 secs Computing kpt #: 379 total cpu time spent up to now is 83.2 secs Computing kpt #: 380 total cpu time spent up to now is 83.4 secs Computing kpt #: 381 total cpu time spent up to now is 83.6 secs Computing kpt #: 382 total cpu time spent up to now is 83.8 secs Computing kpt #: 383 total cpu time spent up to now is 84.0 secs Computing kpt #: 384 total cpu time spent up to now is 84.2 secs Computing kpt #: 385 total cpu time spent up to now is 84.5 secs Computing kpt #: 386 total cpu time spent up to now is 84.7 secs Computing kpt #: 387 total cpu time spent up to now is 84.9 secs Computing kpt #: 388 total cpu time spent up to now is 85.2 secs Computing kpt #: 389 total cpu time spent up to now is 85.4 secs Computing kpt #: 390 total cpu time spent up to now is 85.6 secs Computing kpt #: 391 total cpu time spent up to now is 85.8 secs Computing kpt #: 392 total cpu time spent up to now is 86.1 secs Computing kpt #: 393 total cpu time spent up to now is 86.3 secs Computing kpt #: 394 total cpu time spent up to now is 86.5 secs Computing kpt #: 395 total cpu time spent up to now is 86.7 secs Computing kpt #: 396 total cpu time spent up to now is 87.0 secs Computing kpt #: 397 total cpu time spent up to now is 87.2 secs Computing kpt #: 398 total cpu time spent up to now is 87.4 secs Computing kpt #: 399 total cpu time spent up to now is 87.7 secs Computing kpt #: 400 total cpu time spent up to now is 87.9 secs Computing kpt #: 401 total cpu time spent up to now is 88.1 secs Computing kpt #: 402 total cpu time spent up to now is 88.4 secs Computing kpt #: 403 total cpu time spent up to now is 88.6 secs Computing kpt #: 404 total cpu time spent up to now is 88.8 secs Computing kpt #: 405 total cpu time spent up to now is 89.0 secs Computing kpt #: 406 total cpu time spent up to now is 89.3 secs Computing kpt #: 407 total cpu time spent up to now is 89.5 secs Computing kpt #: 408 total cpu time spent up to now is 89.7 secs Computing kpt #: 409 total cpu time spent up to now is 90.0 secs Computing kpt #: 410 total cpu time spent up to now is 90.2 secs Computing kpt #: 411 total cpu time spent up to now is 90.4 secs Computing kpt #: 412 total cpu time spent up to now is 90.6 secs Computing kpt #: 413 total cpu time spent up to now is 90.9 secs ethr = 5.56E-08, avg # of iterations = 14.2 total cpu time spent up to now is 90.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4047 PWs) bands (ev): -41.8684 -41.8684 -22.2535 -22.2535 -20.7977 -20.7977 -6.8671 -6.8671 -1.6987 -1.6987 -1.6529 -1.6529 -1.4828 -1.4828 -1.4639 -1.4639 -1.4215 -1.4215 6.9800 6.9800 11.7124 11.7124 15.5915 15.5915 17.2530 17.2530 k = 0.0081-0.0107-0.0066 ( 4056 PWs) bands (ev): -41.8684 -41.8684 -22.2534 -22.2534 -20.7976 -20.7976 -6.8669 -6.8669 -1.6996 -1.6996 -1.6539 -1.6539 -1.4853 -1.4853 -1.4626 -1.4626 -1.4213 -1.4213 6.9820 6.9820 11.7144 11.7144 15.5909 15.5909 17.2518 17.2518 k = 0.0161-0.0214-0.0133 ( 4058 PWs) bands (ev): -41.8683 -41.8683 -22.2529 -22.2529 -20.7974 -20.7974 -6.8660 -6.8660 -1.7025 -1.7025 -1.6567 -1.6567 -1.4912 -1.4912 -1.4603 -1.4603 -1.4210 -1.4210 6.9882 6.9882 11.7204 11.7204 15.5890 15.5890 17.2480 17.2480 k = 0.0242-0.0320-0.0199 ( 4066 PWs) bands (ev): -41.8683 -41.8683 -22.2520 -22.2520 -20.7970 -20.7970 -6.8645 -6.8645 -1.7077 -1.7077 -1.6608 -1.6608 -1.4989 -1.4989 -1.4583 -1.4583 -1.4206 -1.4206 6.9984 6.9984 11.7304 11.7304 15.5859 15.5859 17.2418 17.2418 k = 0.0323-0.0427-0.0265 ( 4072 PWs) bands (ev): -41.8682 -41.8682 -22.2508 -22.2508 -20.7965 -20.7965 -6.8625 -6.8625 -1.7159 -1.7159 -1.6658 -1.6658 -1.5076 -1.5076 -1.4573 -1.4573 -1.4202 -1.4202 7.0126 7.0126 11.7443 11.7443 15.5816 15.5816 17.2332 17.2332 k = 0.0403-0.0534-0.0331 ( 4080 PWs) bands (ev): -41.8680 -41.8680 -22.2492 -22.2492 -20.7959 -20.7959 -6.8598 -6.8598 -1.7276 -1.7276 -1.6709 -1.6709 -1.5171 -1.5171 -1.4573 -1.4573 -1.4201 -1.4201 7.0308 7.0308 11.7622 11.7622 15.5759 15.5759 17.2223 17.2223 k = 0.0484-0.0641-0.0398 ( 4085 PWs) bands (ev): -41.8679 -41.8679 -22.2474 -22.2474 -20.7951 -20.7951 -6.8566 -6.8566 -1.7430 -1.7430 -1.6759 -1.6759 -1.5273 -1.5273 -1.4583 -1.4583 -1.4203 -1.4203 7.0529 7.0529 11.7839 11.7839 15.5690 15.5690 17.2093 17.2093 k = 0.0565-0.0748-0.0464 ( 4083 PWs) bands (ev): -41.8677 -41.8677 -22.2452 -22.2452 -20.7941 -20.7941 -6.8529 -6.8529 -1.7622 -1.7622 -1.6806 -1.6806 -1.5380 -1.5380 -1.4602 -1.4602 -1.4211 -1.4211 7.0789 7.0789 11.8095 11.8095 15.5607 15.5607 17.1942 17.1942 k = 0.0645-0.0855-0.0530 ( 4085 PWs) bands (ev): -41.8675 -41.8675 -22.2426 -22.2426 -20.7930 -20.7930 -6.8485 -6.8485 -1.7848 -1.7848 -1.6853 -1.6853 -1.5493 -1.5493 -1.4628 -1.4628 -1.4226 -1.4226 7.1086 7.1086 11.8388 11.8388 15.5510 15.5510 17.1773 17.1773 k = 0.0726-0.0961-0.0597 ( 4083 PWs) bands (ev): -41.8673 -41.8673 -22.2398 -22.2398 -20.7918 -20.7918 -6.8437 -6.8437 -1.8105 -1.8105 -1.6899 -1.6899 -1.5614 -1.5614 -1.4660 -1.4660 -1.4247 -1.4247 7.1419 7.1419 11.8718 11.8718 15.5399 15.5399 17.1587 17.1587 k = 0.0806-0.1068-0.0663 ( 4081 PWs) bands (ev): -41.8670 -41.8670 -22.2366 -22.2366 -20.7905 -20.7905 -6.8383 -6.8383 -1.8390 -1.8390 -1.6947 -1.6947 -1.5742 -1.5742 -1.4699 -1.4699 -1.4275 -1.4275 7.1789 7.1789 11.9084 11.9084 15.5273 15.5273 17.1385 17.1385 k = 0.0887-0.1175-0.0729 ( 4078 PWs) bands (ev): -41.8667 -41.8667 -22.2331 -22.2331 -20.7890 -20.7890 -6.8323 -6.8323 -1.8701 -1.8701 -1.6996 -1.6996 -1.5880 -1.5880 -1.4743 -1.4743 -1.4308 -1.4308 7.2192 7.2192 11.9484 11.9484 15.5133 15.5133 17.1169 17.1169 k = 0.0968-0.1282-0.0796 ( 4085 PWs) bands (ev): -41.8664 -41.8664 -22.2293 -22.2293 -20.7874 -20.7874 -6.8259 -6.8259 -1.9035 -1.9035 -1.7048 -1.7048 -1.6027 -1.6027 -1.4792 -1.4792 -1.4348 -1.4348 7.2629 7.2629 11.9919 11.9919 15.4976 15.4976 17.0940 17.0940 k = 0.1048-0.1389-0.0862 ( 4088 PWs) bands (ev): -41.8660 -41.8660 -22.2252 -22.2252 -20.7857 -20.7857 -6.8190 -6.8190 -1.9389 -1.9389 -1.7102 -1.7102 -1.6184 -1.6184 -1.4847 -1.4847 -1.4392 -1.4392 7.3097 7.3097 12.0387 12.0387 15.4803 15.4803 17.0699 17.0699 k = 0.1129-0.1496-0.0928 ( 4092 PWs) bands (ev): -41.8657 -41.8657 -22.2209 -22.2209 -20.7838 -20.7838 -6.8116 -6.8116 -1.9763 -1.9763 -1.7160 -1.7160 -1.6351 -1.6351 -1.4905 -1.4905 -1.4440 -1.4440 7.3596 7.3596 12.0886 12.0886 15.4613 15.4613 17.0449 17.0449 k = 0.1210-0.1602-0.0994 ( 4090 PWs) bands (ev): -41.8653 -41.8653 -22.2162 -22.2162 -20.7819 -20.7819 -6.8038 -6.8038 -2.0154 -2.0154 -1.7222 -1.7222 -1.6528 -1.6528 -1.4968 -1.4968 -1.4492 -1.4492 7.4123 7.4123 12.1415 12.1415 15.4406 15.4406 17.0189 17.0189 k = 0.1290-0.1709-0.1061 ( 4095 PWs) bands (ev): -41.8649 -41.8649 -22.2113 -22.2113 -20.7798 -20.7798 -6.7955 -6.7955 -2.0560 -2.0560 -1.7289 -1.7289 -1.6714 -1.6714 -1.5035 -1.5035 -1.4547 -1.4547 7.4679 7.4679 12.1973 12.1973 15.4180 15.4180 16.9920 16.9920 k = 0.1371-0.1816-0.1127 ( 4097 PWs) bands (ev): -41.8645 -41.8645 -22.2062 -22.2062 -20.7777 -20.7777 -6.7868 -6.7868 -2.0980 -2.0980 -1.7364 -1.7364 -1.6904 -1.6904 -1.5106 -1.5106 -1.4605 -1.4605 7.5260 7.5260 12.2559 12.2559 15.3934 15.3934 16.9644 16.9644 k = 0.1452-0.1923-0.1193 ( 4088 PWs) bands (ev): -41.8640 -41.8640 -22.2008 -22.2008 -20.7755 -20.7755 -6.7777 -6.7777 -2.1412 -2.1412 -1.7454 -1.7454 -1.7094 -1.7094 -1.5181 -1.5181 -1.4665 -1.4665 7.5866 7.5866 12.3170 12.3170 15.3669 15.3669 16.9360 16.9360 k = 0.1532-0.2030-0.1260 ( 4087 PWs) bands (ev): -41.8636 -41.8636 -22.1952 -22.1952 -20.7731 -20.7731 -6.7682 -6.7682 -2.1855 -2.1855 -1.7572 -1.7572 -1.7266 -1.7266 -1.5259 -1.5259 -1.4727 -1.4727 7.6495 7.6495 12.3805 12.3805 15.3382 15.3382 16.9069 16.9069 k = 0.1613-0.2137-0.1326 ( 4089 PWs) bands (ev): -41.8631 -41.8631 -22.1894 -22.1894 -20.7707 -20.7707 -6.7584 -6.7584 -2.2307 -2.2307 -1.7738 -1.7738 -1.7402 -1.7402 -1.5341 -1.5341 -1.4790 -1.4790 7.7145 7.7145 12.4463 12.4463 15.3073 15.3073 16.8771 16.8771 k = 0.1694-0.2243-0.1392 ( 4091 PWs) bands (ev): -41.8626 -41.8626 -22.1833 -22.1833 -20.7683 -20.7683 -6.7482 -6.7482 -2.2766 -2.2766 -1.7946 -1.7946 -1.7506 -1.7506 -1.5426 -1.5426 -1.4855 -1.4855 7.7816 7.7816 12.5140 12.5140 15.2742 15.2742 16.8467 16.8467 k = 0.1774-0.2350-0.1459 ( 4091 PWs) bands (ev): -41.8621 -41.8621 -22.1771 -22.1771 -20.7657 -20.7657 -6.7378 -6.7378 -2.3233 -2.3233 -1.8180 -1.8180 -1.7594 -1.7594 -1.5513 -1.5513 -1.4921 -1.4921 7.8505 7.8505 12.5836 12.5836 15.2386 15.2386 16.8156 16.8156 k = 0.1855-0.2457-0.1525 ( 4085 PWs) bands (ev): -41.8616 -41.8616 -22.1707 -22.1707 -20.7631 -20.7631 -6.7271 -6.7271 -2.3704 -2.3704 -1.8429 -1.8429 -1.7674 -1.7674 -1.5603 -1.5603 -1.4988 -1.4988 7.9211 7.9211 12.6548 12.6548 15.2006 15.2006 16.7839 16.7839 k = 0.1935-0.2564-0.1591 ( 4087 PWs) bands (ev): -41.8611 -41.8611 -22.1642 -22.1642 -20.7604 -20.7604 -6.7161 -6.7161 -2.4179 -2.4179 -1.8688 -1.8688 -1.7752 -1.7752 -1.5696 -1.5696 -1.5057 -1.5057 7.9933 7.9933 12.7273 12.7273 15.1599 15.1599 16.7518 16.7518 k = 0.2016-0.2671-0.1657 ( 4089 PWs) bands (ev): -41.8605 -41.8605 -22.1575 -22.1575 -20.7577 -20.7577 -6.7049 -6.7049 -2.4657 -2.4657 -1.8955 -1.8955 -1.7828 -1.7828 -1.5791 -1.5791 -1.5126 -1.5126 8.0669 8.0669 12.8010 12.8010 15.1167 15.1167 16.7192 16.7192 k = 0.2097-0.2777-0.1724 ( 4091 PWs) bands (ev): -41.8600 -41.8600 -22.1506 -22.1506 -20.7550 -20.7550 -6.6935 -6.6935 -2.5136 -2.5136 -1.9227 -1.9227 -1.7902 -1.7902 -1.5888 -1.5888 -1.5196 -1.5196 8.1417 8.1417 12.8754 12.8754 15.0708 15.0708 16.6864 16.6864 k = 0.2177-0.2884-0.1790 ( 4093 PWs) bands (ev): -41.8594 -41.8594 -22.1437 -22.1437 -20.7522 -20.7522 -6.6820 -6.6820 -2.5615 -2.5615 -1.9503 -1.9503 -1.7977 -1.7977 -1.5986 -1.5986 -1.5267 -1.5267 8.2177 8.2177 12.9503 12.9503 15.0222 15.0222 16.6536 16.6536 k = 0.2258-0.2991-0.1856 ( 4093 PWs) bands (ev): -41.8589 -41.8589 -22.1367 -22.1367 -20.7494 -20.7494 -6.6704 -6.6704 -2.6093 -2.6093 -1.9782 -1.9782 -1.8050 -1.8050 -1.6086 -1.6086 -1.5339 -1.5339 8.2946 8.2946 13.0254 13.0254 14.9710 14.9710 16.6211 16.6211 k = 0.2339-0.3098-0.1923 ( 4097 PWs) bands (ev): -41.8583 -41.8583 -22.1296 -22.1296 -20.7466 -20.7466 -6.6586 -6.6586 -2.6570 -2.6570 -2.0062 -2.0062 -1.8123 -1.8123 -1.6188 -1.6188 -1.5412 -1.5412 8.3724 8.3724 13.1002 13.1002 14.9175 14.9175 16.5893 16.5893 k = 0.2419-0.3205-0.1989 ( 4095 PWs) bands (ev): -41.8577 -41.8577 -22.1224 -22.1224 -20.7438 -20.7438 -6.6468 -6.6468 -2.7043 -2.7043 -2.0343 -2.0343 -1.8196 -1.8196 -1.6291 -1.6291 -1.5485 -1.5485 8.4509 8.4509 13.1742 13.1742 14.8617 14.8617 16.5585 16.5585 k = 0.2500-0.3312-0.2055 ( 4095 PWs) bands (ev): -41.8571 -41.8571 -22.1153 -22.1153 -20.7410 -20.7410 -6.6350 -6.6350 -2.7512 -2.7512 -2.0624 -2.0624 -1.8267 -1.8267 -1.6394 -1.6394 -1.5558 -1.5558 8.5300 8.5300 13.2470 13.2470 14.8042 14.8042 16.5291 16.5291 k = 0.2581-0.3418-0.2122 ( 4095 PWs) bands (ev): -41.8566 -41.8566 -22.1080 -22.1080 -20.7381 -20.7381 -6.6231 -6.6231 -2.7976 -2.7976 -2.0904 -2.0904 -1.8337 -1.8337 -1.6498 -1.6498 -1.5631 -1.5631 8.6096 8.6096 13.3178 13.3178 14.7454 14.7454 16.5016 16.5016 k = 0.2661-0.3525-0.2188 ( 4096 PWs) bands (ev): -41.8560 -41.8560 -22.1008 -22.1008 -20.7353 -20.7353 -6.6113 -6.6113 -2.8434 -2.8434 -2.1182 -2.1182 -1.8406 -1.8406 -1.6603 -1.6603 -1.5705 -1.5705 8.6894 8.6894 13.3857 13.3857 14.6861 14.6861 16.4764 16.4764 k = 0.2742-0.3632-0.2254 ( 4098 PWs) bands (ev): -41.8554 -41.8554 -22.0936 -22.0936 -20.7325 -20.7325 -6.5995 -6.5995 -2.8885 -2.8885 -2.1457 -2.1457 -1.8473 -1.8473 -1.6708 -1.6708 -1.5779 -1.5779 8.7695 8.7695 13.4498 13.4498 14.6275 14.6275 16.4538 16.4538 k = 0.2823-0.3739-0.2320 ( 4098 PWs) bands (ev): -41.8549 -41.8549 -22.0864 -22.0864 -20.7298 -20.7298 -6.5878 -6.5878 -2.9328 -2.9328 -2.1728 -2.1728 -1.8539 -1.8539 -1.6812 -1.6812 -1.5853 -1.5853 8.8496 8.8496 13.5085 13.5085 14.5708 14.5708 16.4342 16.4342 k = 0.2903-0.3846-0.2387 ( 4096 PWs) bands (ev): -41.8543 -41.8543 -22.0793 -22.0793 -20.7271 -20.7271 -6.5763 -6.5763 -2.9762 -2.9762 -2.1995 -2.1995 -1.8603 -1.8603 -1.6917 -1.6917 -1.5926 -1.5926 8.9297 8.9297 13.5599 13.5599 14.5181 14.5181 16.4177 16.4177 k = 0.2984-0.3953-0.2453 ( 4090 PWs) bands (ev): -41.8538 -41.8538 -22.0723 -22.0723 -20.7244 -20.7244 -6.5649 -6.5649 -3.0187 -3.0187 -2.2256 -2.2256 -1.8665 -1.8665 -1.7021 -1.7021 -1.5999 -1.5999 9.0096 9.0096 13.6018 13.6018 14.4718 14.4718 16.4046 16.4046 k = 0.3065-0.4059-0.2519 ( 4090 PWs) bands (ev): -41.8532 -41.8532 -22.0653 -22.0653 -20.7218 -20.7218 -6.5537 -6.5537 -3.0601 -3.0601 -2.2512 -2.2512 -1.8725 -1.8725 -1.7124 -1.7124 -1.6071 -1.6071 9.0892 9.0892 13.6311 13.6311 14.4348 14.4348 16.3950 16.3950 k = 0.3145-0.4166-0.2586 ( 4091 PWs) bands (ev): -41.8527 -41.8527 -22.0585 -22.0585 -20.7192 -20.7192 -6.5427 -6.5427 -3.1004 -3.1004 -2.2761 -2.2761 -1.8782 -1.8782 -1.7226 -1.7226 -1.6142 -1.6142 9.1684 9.1684 13.6453 13.6453 14.4100 14.4100 16.3889 16.3889 k = 0.3226-0.4273-0.2652 ( 4089 PWs) bands (ev): -41.8522 -41.8522 -22.0518 -22.0518 -20.7167 -20.7167 -6.5319 -6.5319 -3.1395 -3.1395 -2.3003 -2.3003 -1.8837 -1.8837 -1.7327 -1.7327 -1.6213 -1.6213 9.2471 9.2471 13.6425 13.6425 14.3992 14.3992 16.3862 16.3862 k = 0.3306-0.4380-0.2718 ( 4089 PWs) bands (ev): -41.8517 -41.8517 -22.0452 -22.0452 -20.7142 -20.7142 -6.5214 -6.5214 -3.1774 -3.1774 -2.3237 -2.3237 -1.8890 -1.8890 -1.7427 -1.7427 -1.6282 -1.6282 9.3250 9.3250 13.6227 13.6227 14.4025 14.4025 16.3869 16.3869 k = 0.3387-0.4487-0.2785 ( 4083 PWs) bands (ev): -41.8512 -41.8512 -22.0388 -22.0388 -20.7118 -20.7118 -6.5112 -6.5112 -3.2140 -3.2140 -2.3464 -2.3464 -1.8939 -1.8939 -1.7524 -1.7524 -1.6350 -1.6350 9.4021 9.4021 13.5881 13.5881 14.4179 14.4179 16.3907 16.3907 k = 0.3468-0.4594-0.2851 ( 4084 PWs) bands (ev): -41.8507 -41.8507 -22.0326 -22.0326 -20.7096 -20.7096 -6.5013 -6.5013 -3.2491 -3.2491 -2.3681 -2.3681 -1.8986 -1.8986 -1.7620 -1.7620 -1.6416 -1.6416 9.4783 9.4783 13.5418 13.5418 14.4426 14.4426 16.3973 16.3973 k = 0.3548-0.4700-0.2917 ( 4086 PWs) bands (ev): -41.8502 -41.8502 -22.0266 -22.0266 -20.7073 -20.7073 -6.4918 -6.4918 -3.2828 -3.2828 -2.3890 -2.3890 -1.9029 -1.9029 -1.7714 -1.7714 -1.6480 -1.6480 9.5534 9.5534 13.4869 13.4869 14.4735 14.4735 16.4063 16.4063 k = 0.3629-0.4807-0.2983 ( 4088 PWs) bands (ev): -41.8498 -41.8498 -22.0208 -22.0208 -20.7052 -20.7052 -6.4827 -6.4827 -3.3150 -3.3150 -2.4089 -2.4089 -1.9070 -1.9070 -1.7805 -1.7805 -1.6543 -1.6543 9.6272 9.6272 13.4262 13.4262 14.5080 14.5080 16.4173 16.4173 k = 0.3710-0.4914-0.3050 ( 4088 PWs) bands (ev): -41.8494 -41.8494 -22.0152 -22.0152 -20.7032 -20.7032 -6.4739 -6.4739 -3.3457 -3.3457 -2.4278 -2.4278 -1.9108 -1.9108 -1.7894 -1.7894 -1.6603 -1.6603 9.6995 9.6995 13.3618 13.3618 14.5442 14.5442 16.4296 16.4296 k = 0.3790-0.5021-0.3116 ( 4090 PWs) bands (ev): -41.8490 -41.8490 -22.0099 -22.0099 -20.7013 -20.7013 -6.4656 -6.4656 -3.3747 -3.3747 -2.4458 -2.4458 -1.9142 -1.9142 -1.7980 -1.7980 -1.6661 -1.6661 9.7702 9.7702 13.2955 13.2955 14.5808 14.5808 16.4428 16.4428 k = 0.3871-0.5128-0.3182 ( 4091 PWs) bands (ev): -41.8486 -41.8486 -22.0048 -22.0048 -20.6995 -20.6995 -6.4577 -6.4577 -3.4021 -3.4021 -2.4626 -2.4626 -1.9173 -1.9173 -1.8063 -1.8063 -1.6716 -1.6716 9.8390 9.8390 13.2285 13.2285 14.6167 14.6167 16.4560 16.4560 k = 0.3952-0.5234-0.3249 ( 4094 PWs) bands (ev): -41.8482 -41.8482 -22.0000 -22.0000 -20.6977 -20.6977 -6.4503 -6.4503 -3.4278 -3.4278 -2.4784 -2.4784 -1.9200 -1.9200 -1.8143 -1.8143 -1.6769 -1.6769 9.9057 9.9057 13.1617 13.1617 14.6514 14.6514 16.4685 16.4685 k = 0.4032-0.5341-0.3315 ( 4100 PWs) bands (ev): -41.8479 -41.8479 -21.9955 -21.9955 -20.6961 -20.6961 -6.4434 -6.4434 -3.4517 -3.4517 -2.4932 -2.4932 -1.9225 -1.9225 -1.8218 -1.8218 -1.6818 -1.6818 9.9700 9.9700 13.0960 13.0960 14.6843 14.6843 16.4797 16.4797 k = 0.4113-0.5448-0.3381 ( 4110 PWs) bands (ev): -41.8476 -41.8476 -21.9914 -21.9914 -20.6947 -20.6947 -6.4369 -6.4369 -3.4739 -3.4739 -2.5068 -2.5068 -1.9246 -1.9246 -1.8290 -1.8290 -1.6864 -1.6864 10.0316 10.0316 13.0322 13.0322 14.7151 14.7151 16.4888 16.4888 k = 0.4194-0.5555-0.3448 ( 4117 PWs) bands (ev): -41.8473 -41.8473 -21.9875 -21.9875 -20.6933 -20.6933 -6.4310 -6.4310 -3.4943 -3.4943 -2.5192 -2.5192 -1.9264 -1.9264 -1.8358 -1.8358 -1.6907 -1.6907 10.0901 10.0901 12.9709 12.9709 14.7437 14.7437 16.4956 16.4956 k = 0.4274-0.5662-0.3514 ( 4115 PWs) bands (ev): -41.8470 -41.8470 -21.9840 -21.9840 -20.6920 -20.6920 -6.4256 -6.4256 -3.5128 -3.5128 -2.5305 -2.5305 -1.9279 -1.9279 -1.8422 -1.8422 -1.6947 -1.6947 10.1452 10.1452 12.9128 12.9128 14.7698 14.7698 16.4998 16.4998 k = 0.4355-0.5769-0.3580 ( 4116 PWs) bands (ev): -41.8468 -41.8468 -21.9808 -21.9808 -20.6909 -20.6909 -6.4207 -6.4207 -3.5295 -3.5295 -2.5407 -2.5407 -1.9291 -1.9291 -1.8480 -1.8480 -1.6982 -1.6982 10.1965 10.1965 12.8584 12.8584 14.7933 14.7933 16.5016 16.5016 k = 0.4435-0.5875-0.3646 ( 4114 PWs) bands (ev): -41.8466 -41.8466 -21.9780 -21.9780 -20.6899 -20.6899 -6.4164 -6.4164 -3.5442 -3.5442 -2.5497 -2.5497 -1.9300 -1.9300 -1.8533 -1.8533 -1.7014 -1.7014 10.2434 10.2434 12.8084 12.8084 14.8142 14.8142 16.5012 16.5012 k = 0.4516-0.5982-0.3713 ( 4118 PWs) bands (ev): -41.8464 -41.8464 -21.9755 -21.9755 -20.6891 -20.6891 -6.4126 -6.4126 -3.5570 -3.5570 -2.5575 -2.5575 -1.9307 -1.9307 -1.8581 -1.8581 -1.7042 -1.7042 10.2856 10.2856 12.7634 12.7634 14.8325 14.8325 16.4992 16.4992 k = 0.4597-0.6089-0.3779 ( 4122 PWs) bands (ev): -41.8463 -41.8463 -21.9734 -21.9734 -20.6883 -20.6883 -6.4094 -6.4094 -3.5679 -3.5679 -2.5641 -2.5641 -1.9312 -1.9312 -1.8623 -1.8623 -1.7066 -1.7066 10.3224 10.3224 12.7241 12.7241 14.8480 14.8480 16.4962 16.4962 k = 0.4677-0.6196-0.3845 ( 4116 PWs) bands (ev): -41.8461 -41.8461 -21.9717 -21.9717 -20.6877 -20.6877 -6.4068 -6.4068 -3.5769 -3.5769 -2.5695 -2.5695 -1.9315 -1.9315 -1.8657 -1.8657 -1.7085 -1.7085 10.3534 10.3534 12.6909 12.6909 14.8607 14.8607 16.4929 16.4929 k = 0.4758-0.6303-0.3912 ( 4117 PWs) bands (ev): -41.8460 -41.8460 -21.9703 -21.9703 -20.6873 -20.6873 -6.4047 -6.4047 -3.5838 -3.5838 -2.5737 -2.5737 -1.9316 -1.9316 -1.8685 -1.8685 -1.7101 -1.7101 10.3781 10.3781 12.6644 12.6644 14.8706 14.8706 16.4897 16.4897 k = 0.4839-0.6410-0.3978 ( 4116 PWs) bands (ev): -41.8460 -41.8460 -21.9693 -21.9693 -20.6869 -20.6869 -6.4033 -6.4033 -3.5888 -3.5888 -2.5768 -2.5768 -1.9317 -1.9317 -1.8706 -1.8706 -1.7112 -1.7112 10.3961 10.3961 12.6452 12.6452 14.8777 14.8777 16.4871 16.4871 k = 0.4919-0.6516-0.4044 ( 4112 PWs) bands (ev): -41.8459 -41.8459 -21.9688 -21.9688 -20.6867 -20.6867 -6.4024 -6.4024 -3.5918 -3.5918 -2.5786 -2.5786 -1.9318 -1.9318 -1.8718 -1.8718 -1.7118 -1.7118 10.4071 10.4071 12.6335 12.6335 14.8820 14.8820 16.4854 16.4854 k = 0.5000-0.6623-0.4111 ( 4112 PWs) bands (ev): -41.8459 -41.8459 -21.9686 -21.9686 -20.6866 -20.6866 -6.4021 -6.4021 -3.5928 -3.5928 -2.5792 -2.5792 -1.9318 -1.9318 -1.8722 -1.8722 -1.7121 -1.7121 10.4107 10.4107 12.6295 12.6295 14.8834 14.8834 16.4848 16.4848 k = 0.5000-0.6623-0.4111 ( 4112 PWs) bands (ev): -41.8459 -41.8459 -21.9686 -21.9686 -20.6866 -20.6866 -6.4021 -6.4021 -3.5928 -3.5928 -2.5792 -2.5792 -1.9318 -1.9318 -1.8722 -1.8722 -1.7121 -1.7121 10.4107 10.4107 12.6295 12.6295 14.8834 14.8834 16.4848 16.4848 k = 0.5000-0.6545-0.4236 ( 4108 PWs) bands (ev): -41.8459 -41.8459 -21.9685 -21.9685 -20.6867 -20.6867 -6.4018 -6.4018 -3.5924 -3.5924 -2.5788 -2.5788 -1.9334 -1.9334 -1.8734 -1.8734 -1.7113 -1.7113 10.4130 10.4130 12.6302 12.6302 14.8827 14.8827 16.4821 16.4821 k = 0.5000-0.6467-0.4362 ( 4108 PWs) bands (ev): -41.8459 -41.8459 -21.9682 -21.9682 -20.6868 -20.6868 -6.4011 -6.4011 -3.5913 -3.5913 -2.5777 -2.5777 -1.9383 -1.9383 -1.8769 -1.8769 -1.7091 -1.7091 10.4196 10.4196 12.6321 12.6321 14.8805 14.8805 16.4738 16.4738 k = 0.5000-0.6389-0.4487 ( 4108 PWs) bands (ev): -41.8458 -41.8458 -21.9676 -21.9676 -20.6869 -20.6869 -6.3999 -6.3999 -3.5895 -3.5895 -2.5759 -2.5759 -1.9461 -1.9461 -1.8827 -1.8827 -1.7057 -1.7057 10.4307 10.4307 12.6353 12.6353 14.8768 14.8768 16.4597 16.4597 k = 0.5000-0.6311-0.4613 ( 4110 PWs) bands (ev): -41.8458 -41.8458 -21.9669 -21.9669 -20.6871 -20.6871 -6.3982 -6.3982 -3.5870 -3.5870 -2.5734 -2.5734 -1.9565 -1.9565 -1.8910 -1.8910 -1.7013 -1.7013 10.4462 10.4462 12.6397 12.6397 14.8716 14.8716 16.4394 16.4394 k = 0.5000-0.6233-0.4739 ( 4112 PWs) bands (ev): -41.8458 -41.8458 -21.9660 -21.9660 -20.6873 -20.6873 -6.3960 -6.3960 -3.5838 -3.5838 -2.5702 -2.5702 -1.9692 -1.9692 -1.9016 -1.9016 -1.6962 -1.6962 10.4660 10.4660 12.6454 12.6454 14.8648 14.8648 16.4123 16.4123 k = 0.5000-0.6155-0.4864 ( 4116 PWs) bands (ev): -41.8457 -41.8457 -21.9649 -21.9649 -20.6877 -20.6877 -6.3933 -6.3933 -3.5799 -3.5799 -2.5663 -2.5663 -1.9839 -1.9839 -1.9145 -1.9145 -1.6907 -1.6907 10.4901 10.4901 12.6524 12.6524 14.8563 14.8563 16.3783 16.3783 k = 0.5000-0.6077-0.4990 ( 4116 PWs) bands (ev): -41.8457 -41.8457 -21.9636 -21.9636 -20.6880 -20.6880 -6.3901 -6.3901 -3.5752 -3.5752 -2.5617 -2.5617 -2.0002 -2.0002 -1.9298 -1.9298 -1.6850 -1.6850 10.5184 10.5184 12.6606 12.6606 14.8461 14.8461 16.3374 16.3374 k = 0.5000-0.6000-0.5115 ( 4108 PWs) bands (ev): -41.8456 -41.8456 -21.9621 -21.9621 -20.6885 -20.6885 -6.3865 -6.3865 -3.5699 -3.5699 -2.5564 -2.5564 -2.0179 -2.0179 -1.9472 -1.9472 -1.6793 -1.6793 10.5508 10.5508 12.6701 12.6701 14.8340 14.8340 16.2897 16.2898 k = 0.5000-0.5922-0.5241 ( 4110 PWs) bands (ev): -41.8455 -41.8455 -21.9604 -21.9604 -20.6890 -20.6890 -6.3825 -6.3825 -3.5638 -3.5638 -2.5504 -2.5504 -2.0369 -2.0369 -1.9667 -1.9667 -1.6737 -1.6737 10.5873 10.5873 12.6808 12.6808 14.8200 14.8200 16.2361 16.2361 k = 0.5000-0.5844-0.5367 ( 4100 PWs) bands (ev): -41.8454 -41.8454 -21.9586 -21.9586 -20.6895 -20.6895 -6.3780 -6.3780 -3.5571 -3.5571 -2.5438 -2.5438 -2.0570 -2.0570 -1.9882 -1.9882 -1.6685 -1.6685 10.6276 10.6276 12.6928 12.6928 14.8039 14.8039 16.1772 16.1772 k = 0.5000-0.5766-0.5492 ( 4098 PWs) bands (ev): -41.8453 -41.8453 -21.9565 -21.9565 -20.6902 -20.6902 -6.3730 -6.3730 -3.5497 -3.5497 -2.5366 -2.5366 -2.0779 -2.0779 -2.0115 -2.0115 -1.6636 -1.6636 10.6717 10.6717 12.7061 12.7061 14.7855 14.7855 16.1140 16.1140 k = 0.5000-0.5688-0.5618 ( 4094 PWs) bands (ev): -41.8452 -41.8452 -21.9543 -21.9543 -20.6909 -20.6909 -6.3676 -6.3676 -3.5417 -3.5417 -2.5288 -2.5288 -2.0997 -2.0997 -2.0365 -2.0365 -1.6591 -1.6591 10.7194 10.7194 12.7206 12.7206 14.7647 14.7647 16.0472 16.0472 k = 0.5000-0.5610-0.5744 ( 4088 PWs) bands (ev): -41.8451 -41.8451 -21.9520 -21.9520 -20.6917 -20.6917 -6.3618 -6.3618 -3.5330 -3.5330 -2.5204 -2.5204 -2.1223 -2.1223 -2.0631 -2.0631 -1.6551 -1.6551 10.7707 10.7707 12.7364 12.7364 14.7413 14.7413 15.9777 15.9777 k = 0.5000-0.5532-0.5869 ( 4086 PWs) bands (ev): -41.8450 -41.8450 -21.9495 -21.9495 -20.6926 -20.6926 -6.3557 -6.3557 -3.5236 -3.5236 -2.5116 -2.5116 -2.1454 -2.1454 -2.0910 -2.0910 -1.6517 -1.6517 10.8254 10.8254 12.7533 12.7533 14.7151 14.7151 15.9061 15.9061 k = 0.5000-0.5454-0.5995 ( 4090 PWs) bands (ev): -41.8449 -41.8449 -21.9469 -21.9469 -20.6935 -20.6935 -6.3491 -6.3491 -3.5137 -3.5137 -2.5023 -2.5023 -2.1692 -2.1692 -2.1200 -2.1200 -1.6487 -1.6487 10.8832 10.8832 12.7716 12.7716 14.6860 14.6860 15.8331 15.8331 k = 0.5000-0.5376-0.6120 ( 4096 PWs) bands (ev): -41.8448 -41.8448 -21.9441 -21.9441 -20.6945 -20.6945 -6.3421 -6.3421 -3.5031 -3.5031 -2.4927 -2.4927 -2.1934 -2.1934 -2.1499 -2.1499 -1.6464 -1.6464 10.9442 10.9442 12.7910 12.7910 14.6537 14.6537 15.7590 15.7590 k = 0.5000-0.5298-0.6246 ( 4096 PWs) bands (ev): -41.8447 -41.8447 -21.9413 -21.9413 -20.6957 -20.6957 -6.3348 -6.3348 -3.4919 -3.4919 -2.4829 -2.4829 -2.2181 -2.2181 -2.1803 -2.1803 -1.6446 -1.6446 11.0081 11.0081 12.8116 12.8116 14.6180 14.6180 15.6844 15.6844 k = 0.5000-0.5220-0.6372 ( 4098 PWs) bands (ev): -41.8445 -41.8445 -21.9383 -21.9383 -20.6969 -20.6969 -6.3272 -6.3272 -3.4802 -3.4802 -2.4732 -2.4732 -2.2434 -2.2434 -2.2107 -2.2107 -1.6433 -1.6433 11.0747 11.0747 12.8334 12.8334 14.5789 14.5789 15.6094 15.6094 k = 0.5000-0.5142-0.6497 ( 4100 PWs) bands (ev): -41.8444 -41.8444 -21.9352 -21.9352 -20.6982 -20.6982 -6.3192 -6.3192 -3.4679 -3.4679 -2.4641 -2.4641 -2.2692 -2.2692 -2.2404 -2.2404 -1.6426 -1.6426 11.1440 11.1440 12.8563 12.8563 14.5361 14.5361 15.5345 15.5345 k = 0.5000-0.5064-0.6623 ( 4096 PWs) bands (ev): -41.8443 -41.8443 -21.9321 -21.9321 -20.6997 -20.6997 -6.3109 -6.3109 -3.4550 -3.4550 -2.4564 -2.4564 -2.2955 -2.2955 -2.2685 -2.2685 -1.6424 -1.6424 11.2157 11.2157 12.8804 12.8804 14.4895 14.4895 15.4599 15.4599 k = 0.5000-0.4986-0.6748 ( 4100 PWs) bands (ev): -41.8442 -41.8442 -21.9289 -21.9289 -20.7012 -20.7012 -6.3023 -6.3023 -3.4417 -3.4417 -2.4517 -2.4517 -2.3214 -2.3214 -2.2939 -2.2939 -1.6428 -1.6428 11.2896 11.2896 12.9056 12.9056 14.4390 14.4390 15.3857 15.3857 k = 0.5000-0.4908-0.6874 ( 4102 PWs) bands (ev): -41.8441 -41.8441 -21.9256 -21.9256 -20.7028 -20.7028 -6.2935 -6.2935 -3.4278 -3.4278 -2.4529 -2.4529 -2.3458 -2.3458 -2.3148 -2.3148 -1.6437 -1.6437 11.3658 11.3658 12.9319 12.9319 14.3847 14.3847 15.3122 15.3122 k = 0.5000-0.4830-0.7000 ( 4098 PWs) bands (ev): -41.8439 -41.8439 -21.9223 -21.9223 -20.7046 -20.7046 -6.2844 -6.2844 -3.4134 -3.4134 -2.4635 -2.4635 -2.3682 -2.3682 -2.3280 -2.3280 -1.6450 -1.6450 11.4438 11.4438 12.9591 12.9591 14.3263 14.3263 15.2394 15.2394 k = 0.5000-0.4752-0.7125 ( 4098 PWs) bands (ev): -41.8438 -41.8438 -21.9189 -21.9189 -20.7065 -20.7065 -6.2750 -6.2750 -3.3987 -3.3987 -2.4839 -2.4839 -2.3902 -2.3902 -2.3311 -2.3311 -1.6469 -1.6469 11.5237 11.5237 12.9873 12.9873 14.2641 14.2641 15.1676 15.1676 k = 0.5000-0.4674-0.7251 ( 4092 PWs) bands (ev): -41.8437 -41.8437 -21.9155 -21.9155 -20.7085 -20.7085 -6.2655 -6.2655 -3.3834 -3.3834 -2.5111 -2.5111 -2.4126 -2.4126 -2.3262 -2.3262 -1.6492 -1.6492 11.6052 11.6052 13.0164 13.0164 14.1981 14.1981 15.0970 15.0970 k = 0.5000-0.4596-0.7377 ( 4090 PWs) bands (ev): -41.8436 -41.8436 -21.9122 -21.9122 -20.7106 -20.7106 -6.2557 -6.2557 -3.3678 -3.3678 -2.5421 -2.5421 -2.4353 -2.4353 -2.3164 -2.3164 -1.6519 -1.6519 11.6883 11.6883 13.0463 13.0463 14.1284 14.1284 15.0275 15.0275 k = 0.5000-0.4518-0.7502 ( 4086 PWs) bands (ev): -41.8435 -41.8435 -21.9088 -21.9088 -20.7129 -20.7129 -6.2458 -6.2458 -3.3519 -3.3519 -2.5750 -2.5750 -2.4577 -2.4577 -2.3037 -2.3037 -1.6550 -1.6550 11.7726 11.7726 13.0769 13.0769 14.0552 14.0552 14.9596 14.9596 k = 0.5000-0.4440-0.7628 ( 4088 PWs) bands (ev): -41.8434 -41.8434 -21.9054 -21.9054 -20.7153 -20.7153 -6.2357 -6.2357 -3.3356 -3.3356 -2.6088 -2.6088 -2.4798 -2.4798 -2.2892 -2.2892 -1.6586 -1.6586 11.8582 11.8582 13.1081 13.1081 13.9787 13.9787 14.8932 14.8932 k = 0.5000-0.4362-0.7753 ( 4088 PWs) bands (ev): -41.8433 -41.8433 -21.9021 -21.9021 -20.7178 -20.7178 -6.2255 -6.2255 -3.3190 -3.3190 -2.6428 -2.6428 -2.5014 -2.5014 -2.2734 -2.2734 -1.6624 -1.6624 11.9449 11.9449 13.1396 13.1396 13.8991 13.8991 14.8285 14.8285 k = 0.5000-0.4284-0.7879 ( 4090 PWs) bands (ev): -41.8433 -41.8433 -21.8989 -21.8989 -20.7205 -20.7205 -6.2152 -6.2152 -3.3022 -3.3022 -2.6767 -2.6767 -2.5223 -2.5223 -2.2568 -2.2568 -1.6667 -1.6667 12.0324 12.0324 13.1714 13.1714 13.8167 13.8167 14.7659 14.7659 k = 0.5000-0.4206-0.8005 ( 4092 PWs) bands (ev): -41.8432 -41.8432 -21.8956 -21.8956 -20.7233 -20.7233 -6.2048 -6.2048 -3.2852 -3.2852 -2.7103 -2.7103 -2.5425 -2.5425 -2.2394 -2.2394 -1.6712 -1.6712 12.1208 12.1208 13.2031 13.2031 13.7317 13.7317 14.7056 14.7056 k = 0.5000-0.4128-0.8130 ( 4094 PWs) bands (ev): -41.8432 -41.8432 -21.8925 -21.8925 -20.7263 -20.7263 -6.1943 -6.1943 -3.2680 -3.2680 -2.7433 -2.7433 -2.5618 -2.5618 -2.2214 -2.2214 -1.6760 -1.6760 12.2097 12.2097 13.2345 13.2345 13.6445 13.6445 14.6479 14.6479 k = 0.5000-0.4050-0.8256 ( 4096 PWs) bands (ev): -41.8431 -41.8431 -21.8895 -21.8895 -20.7294 -20.7294 -6.1837 -6.1837 -3.2508 -3.2508 -2.7755 -2.7755 -2.5803 -2.5803 -2.2030 -2.2030 -1.6811 -1.6811 12.2992 12.2992 13.2651 13.2651 13.5553 13.5553 14.5931 14.5931 k = 0.5000-0.3973-0.8382 ( 4094 PWs) bands (ev): -41.8431 -41.8431 -21.8865 -21.8865 -20.7327 -20.7327 -6.1731 -6.1731 -3.2335 -3.2335 -2.8069 -2.8069 -2.5976 -2.5976 -2.1841 -2.1841 -1.6864 -1.6864 12.3890 12.3890 13.2945 13.2945 13.4644 13.4644 14.5417 14.5417 k = 0.5000-0.3895-0.8507 ( 4098 PWs) bands (ev): -41.8431 -41.8431 -21.8837 -21.8837 -20.7361 -20.7361 -6.1625 -6.1625 -3.2162 -3.2162 -2.8373 -2.8373 -2.6139 -2.6139 -2.1648 -2.1648 -1.6919 -1.6919 12.4790 12.4790 13.3218 13.3218 13.3723 13.3723 14.4943 14.4943 k = 0.5000-0.3817-0.8633 ( 4096 PWs) bands (ev): -41.8431 -41.8431 -21.8810 -21.8810 -20.7397 -20.7397 -6.1519 -6.1519 -3.1991 -3.1991 -2.8666 -2.8666 -2.6290 -2.6290 -2.1453 -2.1453 -1.6976 -1.6976 12.5689 12.5689 13.2780 13.2780 13.3480 13.3480 14.4516 14.4516 k = 0.5000-0.3739-0.8758 ( 4096 PWs) bands (ev): -41.8431 -41.8431 -21.8784 -21.8784 -20.7435 -20.7435 -6.1413 -6.1413 -3.1822 -3.1822 -2.8946 -2.8946 -2.6427 -2.6427 -2.1254 -2.1254 -1.7034 -1.7034 12.6584 12.6584 13.1841 13.1841 13.3697 13.3697 14.4143 14.4143 k = 0.5000-0.3661-0.8884 ( 4090 PWs) bands (ev): -41.8431 -41.8431 -21.8760 -21.8760 -20.7474 -20.7474 -6.1307 -6.1307 -3.1655 -3.1655 -2.9214 -2.9214 -2.6551 -2.6551 -2.1053 -2.1053 -1.7093 -1.7093 12.7465 12.7465 13.0906 13.0906 13.3874 13.3874 14.3833 14.3833 k = 0.5000-0.3583-0.9010 ( 4094 PWs) bands (ev): -41.8432 -41.8432 -21.8737 -21.8737 -20.7514 -20.7514 -6.1202 -6.1202 -3.1493 -3.1493 -2.9467 -2.9467 -2.6660 -2.6660 -2.0851 -2.0851 -1.7153 -1.7153 12.8286 12.8286 13.0022 13.0022 13.4001 13.4001 14.3595 14.3595 k = 0.5000-0.3505-0.9135 ( 4092 PWs) bands (ev): -41.8432 -41.8432 -21.8716 -21.8716 -20.7557 -20.7557 -6.1098 -6.1098 -3.1337 -3.1337 -2.9705 -2.9705 -2.6752 -2.6752 -2.0646 -2.0646 -1.7214 -1.7214 12.8565 12.8565 12.9671 12.9671 13.4069 13.4069 14.3436 14.3436 k = 0.5000-0.3427-0.9261 ( 4092 PWs) bands (ev): -41.8433 -41.8433 -21.8697 -21.8697 -20.7601 -20.7601 -6.0994 -6.0994 -3.1188 -3.1188 -2.9925 -2.9925 -2.6828 -2.6828 -2.0440 -2.0440 -1.7274 -1.7274 12.7804 12.7804 13.0352 13.0352 13.4071 13.4071 14.3364 14.3364 k = 0.8074-0.2397-0.7181 ( 4092 PWs) bands (ev): -41.8433 -41.8433 -21.8697 -21.8697 -20.7601 -20.7601 -6.0994 -6.0994 -3.1188 -3.1188 -2.9925 -2.9925 -2.6828 -2.6828 -2.0440 -2.0440 -1.7274 -1.7274 12.7804 12.7804 13.0352 13.0352 13.4071 13.4071 14.3364 14.3364 k = 0.8027-0.2334-0.7055 ( 4088 PWs) bands (ev): -41.8434 -41.8434 -21.8680 -21.8680 -20.7647 -20.7647 -6.0890 -6.0890 -3.1048 -3.1048 -3.0128 -3.0128 -2.6886 -2.6886 -2.0232 -2.0232 -1.7335 -1.7335 12.6860 12.6860 13.1210 13.1210 13.4004 13.4004 14.3379 14.3379 k = 0.7980-0.2271-0.6928 ( 4088 PWs) bands (ev): -41.8435 -41.8435 -21.8665 -21.8665 -20.7694 -20.7694 -6.0788 -6.0788 -3.0926 -3.0926 -3.0305 -3.0305 -2.6924 -2.6924 -2.0022 -2.0022 -1.7395 -1.7395 12.5887 12.5887 13.2087 13.2087 13.3869 13.3869 14.3483 14.3483 k = 0.7932-0.2209-0.6802 ( 4092 PWs) bands (ev): -41.8437 -41.8437 -21.8651 -21.8651 -20.7743 -20.7743 -6.0687 -6.0687 -3.0839 -3.0839 -3.0439 -3.0439 -2.6942 -2.6942 -1.9813 -1.9813 -1.7454 -1.7454 12.4905 12.4905 13.2964 13.2964 13.3672 13.3672 14.3669 14.3669 k = 0.7885-0.2146-0.6675 ( 4090 PWs) bands (ev): -41.8438 -41.8438 -21.8640 -21.8640 -20.7794 -20.7794 -6.0587 -6.0587 -3.0834 -3.0834 -3.0483 -3.0483 -2.6940 -2.6940 -1.9603 -1.9603 -1.7511 -1.7511 12.3920 12.3920 13.3395 13.3395 13.3858 13.3858 14.3931 14.3931 k = 0.7838-0.2083-0.6549 ( 4088 PWs) bands (ev): -41.8440 -41.8440 -21.8632 -21.8632 -20.7846 -20.7846 -6.0489 -6.0489 -3.0913 -3.0913 -3.0435 -3.0435 -2.6916 -2.6916 -1.9393 -1.9393 -1.7567 -1.7567 12.2934 12.2934 13.3095 13.3095 13.4720 13.4720 14.4259 14.4259 k = 0.7790-0.2021-0.6422 ( 4080 PWs) bands (ev): -41.8442 -41.8442 -21.8625 -21.8625 -20.7900 -20.7900 -6.0392 -6.0392 -3.1015 -3.1015 -3.0356 -3.0356 -2.6871 -2.6871 -1.9184 -1.9184 -1.7620 -1.7620 12.1948 12.1948 13.2746 13.2746 13.5579 13.5579 14.4644 14.4644 k = 0.7743-0.1958-0.6296 ( 4080 PWs) bands (ev): -41.8444 -41.8444 -21.8621 -21.8621 -20.7956 -20.7956 -6.0297 -6.0297 -3.1111 -3.1111 -3.0275 -3.0275 -2.6806 -2.6806 -1.8976 -1.8976 -1.7671 -1.7671 12.0964 12.0964 13.2363 13.2363 13.6428 13.6428 14.5078 14.5078 k = 0.7696-0.1896-0.6169 ( 4086 PWs) bands (ev): -41.8447 -41.8447 -21.8619 -21.8619 -20.8013 -20.8013 -6.0204 -6.0204 -3.1193 -3.1193 -3.0198 -3.0198 -2.6722 -2.6722 -1.8769 -1.8769 -1.7717 -1.7717 11.9981 11.9981 13.1952 13.1952 13.7266 13.7266 14.5554 14.5554 k = 0.7648-0.1833-0.6043 ( 4082 PWs) bands (ev): -41.8449 -41.8449 -21.8620 -21.8620 -20.8071 -20.8071 -6.0112 -6.0112 -3.1259 -3.1259 -3.0127 -3.0127 -2.6619 -2.6619 -1.8565 -1.8565 -1.7759 -1.7759 11.9002 11.9002 13.1519 13.1519 13.8091 13.8091 14.6064 14.6064 k = 0.7601-0.1770-0.5916 ( 4090 PWs) bands (ev): -41.8452 -41.8452 -21.8623 -21.8623 -20.8131 -20.8131 -6.0023 -6.0023 -3.1307 -3.1307 -3.0062 -3.0062 -2.6500 -2.6500 -1.8366 -1.8366 -1.7794 -1.7794 11.8025 11.8025 13.1067 13.1067 13.8901 13.8901 14.6604 14.6604 k = 0.7554-0.1708-0.5790 ( 4086 PWs) bands (ev): -41.8455 -41.8455 -21.8629 -21.8629 -20.8192 -20.8192 -5.9936 -5.9936 -3.1338 -3.1338 -3.0002 -3.0002 -2.6366 -2.6366 -1.8179 -1.8179 -1.7815 -1.7815 11.7052 11.7052 13.0602 13.0602 13.9694 13.9694 14.7169 14.7169 k = 0.7507-0.1645-0.5664 ( 4086 PWs) bands (ev): -41.8458 -41.8458 -21.8637 -21.8637 -20.8254 -20.8254 -5.9851 -5.9851 -3.1349 -3.1349 -2.9946 -2.9946 -2.6219 -2.6219 -1.8032 -1.8032 -1.7792 -1.7792 11.6082 11.6082 13.0124 13.0124 14.0470 14.0470 14.7756 14.7756 k = 0.7459-0.1582-0.5537 ( 4084 PWs) bands (ev): -41.8461 -41.8461 -21.8647 -21.8647 -20.8317 -20.8317 -5.9767 -5.9767 -3.1342 -3.1342 -2.9894 -2.9894 -2.6060 -2.6060 -1.7979 -1.7979 -1.7673 -1.7673 11.5116 11.5116 12.9636 12.9636 14.1225 14.1225 14.8360 14.8360 k = 0.7412-0.1520-0.5411 ( 4080 PWs) bands (ev): -41.8465 -41.8465 -21.8660 -21.8660 -20.8382 -20.8382 -5.9687 -5.9687 -3.1316 -3.1316 -2.9844 -2.9844 -2.5892 -2.5892 -1.7978 -1.7978 -1.7498 -1.7498 11.4153 11.4153 12.9141 12.9141 14.1960 14.1960 14.8981 14.8981 k = 0.7365-0.1457-0.5284 ( 4090 PWs) bands (ev): -41.8469 -41.8469 -21.8675 -21.8675 -20.8448 -20.8448 -5.9608 -5.9608 -3.1271 -3.1271 -2.9795 -2.9795 -2.5715 -2.5715 -1.7987 -1.7987 -1.7311 -1.7311 11.3195 11.3195 12.8638 12.8638 14.2671 14.2671 14.9614 14.9614 k = 0.7317-0.1394-0.5158 ( 4092 PWs) bands (ev): -41.8473 -41.8473 -21.8693 -21.8693 -20.8515 -20.8515 -5.9532 -5.9532 -3.1207 -3.1207 -2.9747 -2.9747 -2.5530 -2.5530 -1.7994 -1.7994 -1.7121 -1.7121 11.2240 11.2240 12.8130 12.8130 14.3357 14.3357 15.0258 15.0258 k = 0.7270-0.1332-0.5031 ( 4090 PWs) bands (ev): -41.8477 -41.8477 -21.8713 -21.8713 -20.8582 -20.8582 -5.9459 -5.9459 -3.1124 -3.1124 -2.9700 -2.9700 -2.5340 -2.5340 -1.7998 -1.7998 -1.6931 -1.6931 11.1290 11.1290 12.7617 12.7617 14.4017 14.4017 15.0911 15.0911 k = 0.7223-0.1269-0.4905 ( 4086 PWs) bands (ev): -41.8481 -41.8481 -21.8736 -21.8736 -20.8651 -20.8651 -5.9388 -5.9388 -3.1024 -3.1024 -2.9653 -2.9653 -2.5144 -2.5144 -1.7995 -1.7995 -1.6744 -1.6744 11.0343 11.0343 12.7099 12.7099 14.4648 14.4648 15.1573 15.1573 k = 0.7176-0.1206-0.4778 ( 4084 PWs) bands (ev): -41.8486 -41.8486 -21.8760 -21.8760 -20.8720 -20.8720 -5.9319 -5.9319 -3.0905 -3.0905 -2.9607 -2.9607 -2.4944 -2.4944 -1.7986 -1.7986 -1.6559 -1.6559 10.9401 10.9401 12.6578 12.6578 14.5248 14.5248 15.2241 15.2241 k = 0.7128-0.1144-0.4652 ( 4082 PWs) bands (ev): -41.8490 -41.8490 -21.8787 -21.8787 -20.8790 -20.8790 -5.9254 -5.9254 -3.0768 -3.0768 -2.9559 -2.9559 -2.4741 -2.4741 -1.7970 -1.7970 -1.6377 -1.6377 10.8463 10.8463 12.6053 12.6053 14.5817 14.5817 15.2914 15.2914 k = 0.7081-0.1081-0.4525 ( 4088 PWs) bands (ev): -41.8495 -41.8495 -21.8816 -21.8816 -20.8861 -20.8861 -5.9190 -5.9190 -3.0614 -3.0614 -2.9512 -2.9512 -2.4534 -2.4534 -1.7946 -1.7946 -1.6198 -1.6198 10.7529 10.7529 12.5525 12.5525 14.6351 14.6351 15.3592 15.3592 k = 0.7034-0.1018-0.4399 ( 4090 PWs) bands (ev): -41.8500 -41.8500 -21.8847 -21.8847 -20.8932 -20.8932 -5.9130 -5.9130 -3.0444 -3.0444 -2.9464 -2.9464 -2.4325 -2.4325 -1.7915 -1.7915 -1.6023 -1.6023 10.6600 10.6600 12.4994 12.4994 14.6851 14.6851 15.4273 15.4273 k = 0.6986-0.0956-0.4272 ( 4094 PWs) bands (ev): -41.8505 -41.8505 -21.8880 -21.8880 -20.9003 -20.9003 -5.9072 -5.9072 -3.0258 -3.0258 -2.9415 -2.9415 -2.4114 -2.4114 -1.7875 -1.7875 -1.5850 -1.5850 10.5675 10.5675 12.4460 12.4460 14.7314 14.7314 15.4958 15.4958 k = 0.6939-0.0893-0.4146 ( 4084 PWs) bands (ev): -41.8510 -41.8510 -21.8915 -21.8915 -20.9075 -20.9075 -5.9017 -5.9017 -3.0059 -3.0059 -2.9364 -2.9364 -2.3902 -2.3902 -1.7827 -1.7827 -1.5682 -1.5682 10.4755 10.4755 12.3925 12.3925 14.7741 14.7741 15.5645 15.5645 k = 0.6892-0.0831-0.4019 ( 4082 PWs) bands (ev): -41.8516 -41.8516 -21.8951 -21.8951 -20.9147 -20.9147 -5.8965 -5.8965 -2.9851 -2.9851 -2.9307 -2.9307 -2.3688 -2.3688 -1.7770 -1.7770 -1.5518 -1.5518 10.3840 10.3840 12.3387 12.3387 14.8130 14.8130 15.6335 15.6335 k = 0.6844-0.0768-0.3893 ( 4084 PWs) bands (ev): -41.8521 -41.8521 -21.8989 -21.8989 -20.9219 -20.9219 -5.8916 -5.8916 -2.9644 -2.9644 -2.9235 -2.9235 -2.3474 -2.3474 -1.7704 -1.7704 -1.5357 -1.5357 10.2930 10.2930 12.2849 12.2849 14.8481 14.8481 15.7028 15.7028 k = 0.6797-0.0705-0.3766 ( 4084 PWs) bands (ev): -41.8527 -41.8527 -21.9029 -21.9029 -20.9291 -20.9291 -5.8869 -5.8869 -2.9466 -2.9466 -2.9120 -2.9120 -2.3260 -2.3260 -1.7630 -1.7630 -1.5200 -1.5200 10.2025 10.2025 12.2308 12.2308 14.8795 14.8795 15.7722 15.7722 k = 0.6750-0.0643-0.3640 ( 4090 PWs) bands (ev): -41.8532 -41.8532 -21.9070 -21.9070 -20.9363 -20.9363 -5.8825 -5.8825 -2.9350 -2.9350 -2.8931 -2.8931 -2.3046 -2.3046 -1.7546 -1.7546 -1.5048 -1.5048 10.1127 10.1127 12.1768 12.1768 14.9073 14.9073 15.8419 15.8419 k = 0.6703-0.0580-0.3513 ( 4090 PWs) bands (ev): -41.8538 -41.8538 -21.9112 -21.9112 -20.9435 -20.9435 -5.8784 -5.8784 -2.9281 -2.9281 -2.8684 -2.8684 -2.2832 -2.2832 -1.7454 -1.7454 -1.4900 -1.4900 10.0234 10.0234 12.1226 12.1226 14.9314 14.9314 15.9119 15.9119 k = 0.6655-0.0517-0.3387 ( 4086 PWs) bands (ev): -41.8544 -41.8544 -21.9156 -21.9156 -20.9506 -20.9506 -5.8745 -5.8745 -2.9234 -2.9234 -2.8404 -2.8404 -2.2620 -2.2620 -1.7353 -1.7353 -1.4756 -1.4756 9.9349 9.9349 12.0686 12.0686 14.9521 14.9521 15.9821 15.9821 k = 0.6608-0.0455-0.3260 ( 4076 PWs) bands (ev): -41.8550 -41.8550 -21.9200 -21.9200 -20.9577 -20.9577 -5.8709 -5.8709 -2.9198 -2.9198 -2.8104 -2.8104 -2.2409 -2.2409 -1.7242 -1.7242 -1.4616 -1.4616 9.8470 9.8470 12.0145 12.0145 14.9695 14.9695 16.0527 16.0527 k = 0.6561-0.0392-0.3134 ( 4074 PWs) bands (ev): -41.8555 -41.8555 -21.9245 -21.9245 -20.9648 -20.9648 -5.8676 -5.8676 -2.9168 -2.9168 -2.7789 -2.7789 -2.2200 -2.2200 -1.7123 -1.7123 -1.4481 -1.4481 9.7599 9.7599 11.9606 11.9606 14.9837 14.9837 16.1236 16.1236 k = 0.6513-0.0329-0.3007 ( 4074 PWs) bands (ev): -41.8561 -41.8561 -21.9291 -21.9291 -20.9717 -20.9717 -5.8646 -5.8646 -2.9143 -2.9143 -2.7461 -2.7461 -2.1994 -2.1994 -1.6995 -1.6995 -1.4351 -1.4351 9.6737 9.6737 11.9069 11.9069 14.9951 14.9951 16.1950 16.1950 k = 0.6466-0.0267-0.2881 ( 4072 PWs) bands (ev): -41.8567 -41.8567 -21.9338 -21.9338 -20.9786 -20.9786 -5.8617 -5.8617 -2.9123 -2.9123 -2.7122 -2.7122 -2.1790 -2.1790 -1.6860 -1.6860 -1.4225 -1.4225 9.5884 9.5884 11.8535 11.8535 15.0038 15.0038 16.2667 16.2667 k = 0.6419-0.0204-0.2755 ( 4072 PWs) bands (ev): -41.8573 -41.8573 -21.9385 -21.9385 -20.9854 -20.9854 -5.8592 -5.8592 -2.9107 -2.9107 -2.6774 -2.6774 -2.1590 -2.1590 -1.6716 -1.6716 -1.4103 -1.4103 9.5040 9.5040 11.8003 11.8003 15.0099 15.0099 16.3389 16.3389 k = 0.6372-0.0141-0.2628 ( 4076 PWs) bands (ev): -41.8579 -41.8579 -21.9432 -21.9432 -20.9921 -20.9921 -5.8569 -5.8569 -2.9094 -2.9094 -2.6417 -2.6417 -2.1394 -2.1394 -1.6564 -1.6564 -1.3987 -1.3987 9.4208 9.4208 11.7476 11.7476 15.0139 15.0139 16.4116 16.4116 k = 0.6324-0.0079-0.2502 ( 4078 PWs) bands (ev): -41.8585 -41.8585 -21.9479 -21.9479 -20.9987 -20.9987 -5.8548 -5.8548 -2.9084 -2.9084 -2.6053 -2.6053 -2.1203 -2.1203 -1.6406 -1.6406 -1.3874 -1.3874 9.3386 9.3386 11.6954 11.6954 15.0158 15.0158 16.4849 16.4849 k = 0.6277-0.0016-0.2375 ( 4076 PWs) bands (ev): -41.8590 -41.8590 -21.9526 -21.9526 -21.0052 -21.0052 -5.8529 -5.8529 -2.9077 -2.9077 -2.5683 -2.5683 -2.1016 -2.1016 -1.6241 -1.6241 -1.3767 -1.3767 9.2578 9.2578 11.6437 11.6437 15.0159 15.0159 16.5586 16.5586 k = 0.6230 0.0047-0.2249 ( 4072 PWs) bands (ev): -41.8596 -41.8596 -21.9574 -21.9574 -21.0115 -21.0115 -5.8512 -5.8512 -2.9074 -2.9074 -2.5309 -2.5309 -2.0834 -2.0834 -1.6070 -1.6070 -1.3664 -1.3664 9.1782 9.1782 11.5927 11.5927 15.0144 15.0144 16.6329 16.6329 k = 0.6182 0.0109-0.2122 ( 4076 PWs) bands (ev): -41.8602 -41.8602 -21.9620 -21.9620 -21.0177 -21.0177 -5.8497 -5.8497 -2.9073 -2.9073 -2.4932 -2.4932 -2.0658 -2.0658 -1.5894 -1.5894 -1.3566 -1.3566 9.1001 9.1001 11.5425 11.5425 15.0116 15.0116 16.7078 16.7078 k = 0.6135 0.0172-0.1996 ( 4076 PWs) bands (ev): -41.8607 -41.8607 -21.9667 -21.9667 -21.0238 -21.0238 -5.8484 -5.8484 -2.9074 -2.9074 -2.4552 -2.4552 -2.0488 -2.0488 -1.5714 -1.5714 -1.3472 -1.3472 9.0236 9.0236 11.4931 11.4931 15.0076 15.0076 16.7831 16.7831 k = 0.6088 0.0235-0.1869 ( 4074 PWs) bands (ev): -41.8613 -41.8613 -21.9713 -21.9713 -21.0297 -21.0297 -5.8473 -5.8473 -2.9078 -2.9078 -2.4172 -2.4172 -2.0324 -2.0324 -1.5530 -1.5530 -1.3383 -1.3383 8.9488 8.9488 11.4446 11.4446 15.0025 15.0025 16.8588 16.8588 k = 0.6040 0.0297-0.1743 ( 4074 PWs) bands (ev): -41.8618 -41.8618 -21.9758 -21.9758 -21.0354 -21.0354 -5.8464 -5.8464 -2.9084 -2.9084 -2.3793 -2.3793 -2.0167 -2.0167 -1.5344 -1.5344 -1.3298 -1.3298 8.8757 8.8757 11.3972 11.3972 14.9967 14.9967 16.9350 16.9350 k = 0.5993 0.0360-0.1616 ( 4070 PWs) bands (ev): -41.8623 -41.8623 -21.9802 -21.9802 -21.0409 -21.0409 -5.8456 -5.8456 -2.9091 -2.9091 -2.3415 -2.3415 -2.0016 -2.0016 -1.5156 -1.5156 -1.3218 -1.3218 8.8046 8.8046 11.3509 11.3509 14.9902 14.9902 17.0114 17.0114 k = 0.5946 0.0422-0.1490 ( 4072 PWs) bands (ev): -41.8628 -41.8628 -21.9845 -21.9845 -21.0462 -21.0462 -5.8449 -5.8449 -2.9100 -2.9100 -2.3042 -2.3042 -1.9872 -1.9872 -1.4967 -1.4967 -1.3142 -1.3142 8.7355 8.7355 11.3059 11.3059 14.9831 14.9831 17.0881 17.0881 k = 0.5899 0.0485-0.1363 ( 4074 PWs) bands (ev): -41.8633 -41.8633 -21.9887 -21.9887 -21.0514 -21.0514 -5.8444 -5.8444 -2.9111 -2.9111 -2.2673 -2.2673 -1.9735 -1.9735 -1.4780 -1.4780 -1.3071 -1.3071 8.6686 8.6686 11.2623 11.2623 14.9757 14.9757 17.1648 17.1648 k = 0.5851 0.0548-0.1237 ( 4072 PWs) bands (ev): -41.8638 -41.8638 -21.9927 -21.9927 -21.0563 -21.0563 -5.8440 -5.8440 -2.9122 -2.9122 -2.2311 -2.2311 -1.9605 -1.9605 -1.4593 -1.4593 -1.3004 -1.3004 8.6040 8.6040 11.2201 11.2201 14.9681 14.9681 17.2413 17.2413 k = 0.5804 0.0610-0.1110 ( 4068 PWs) bands (ev): -41.8642 -41.8642 -21.9966 -21.9966 -21.0610 -21.0610 -5.8437 -5.8437 -2.9134 -2.9134 -2.1957 -2.1957 -1.9481 -1.9481 -1.4410 -1.4410 -1.2941 -1.2941 8.5418 8.5418 11.1794 11.1794 14.9603 14.9603 17.3176 17.3176 k = 0.5757 0.0673-0.0984 ( 4068 PWs) bands (ev): -41.8646 -41.8646 -22.0004 -22.0004 -21.0655 -21.0655 -5.8435 -5.8435 -2.9147 -2.9147 -2.1613 -2.1613 -1.9365 -1.9365 -1.4231 -1.4231 -1.2882 -1.2882 8.4823 8.4823 11.1405 11.1405 14.9525 14.9525 17.3933 17.3933 k = 0.5709 0.0736-0.0857 ( 4070 PWs) bands (ev): -41.8651 -41.8651 -22.0040 -22.0040 -21.0697 -21.0697 -5.8433 -5.8433 -2.9160 -2.9160 -2.1280 -2.1280 -1.9255 -1.9255 -1.4057 -1.4057 -1.2827 -1.2827 8.4254 8.4254 11.1033 11.1033 14.9447 14.9447 17.4682 17.4682 k = 0.5662 0.0798-0.0731 ( 4076 PWs) bands (ev): -41.8655 -41.8655 -22.0074 -22.0074 -21.0738 -21.0738 -5.8433 -5.8433 -2.9173 -2.9173 -2.0960 -2.0960 -1.9152 -1.9152 -1.3890 -1.3890 -1.2776 -1.2776 8.3715 8.3715 11.0679 11.0679 14.9371 14.9371 17.5420 17.5420 k = 0.5615 0.0861-0.0604 ( 4070 PWs) bands (ev): -41.8658 -41.8658 -22.0106 -22.0106 -21.0775 -21.0775 -5.8433 -5.8433 -2.9186 -2.9186 -2.0655 -2.0655 -1.9055 -1.9055 -1.3730 -1.3730 -1.2728 -1.2728 8.3205 8.3205 11.0346 11.0346 14.9297 14.9297 17.6142 17.6142 k = 0.5568 0.0924-0.0478 ( 4072 PWs) bands (ev): -41.8662 -41.8662 -22.0137 -22.0137 -21.0810 -21.0810 -5.8433 -5.8433 -2.9199 -2.9199 -2.0365 -2.0365 -1.8965 -1.8965 -1.3580 -1.3580 -1.2683 -1.2683 8.2727 8.2727 11.0032 11.0032 14.9227 14.9227 17.6846 17.6846 k = 0.5520 0.0986-0.0351 ( 4066 PWs) bands (ev): -41.8665 -41.8665 -22.0165 -22.0165 -21.0843 -21.0843 -5.8434 -5.8434 -2.9211 -2.9211 -2.0094 -2.0094 -1.8880 -1.8880 -1.3439 -1.3439 -1.2640 -1.2640 8.2281 8.2281 10.9741 10.9741 14.9159 14.9159 17.7526 17.7526 k = 0.5473 0.1049-0.0225 ( 4064 PWs) bands (ev): -41.8668 -41.8668 -22.0191 -22.0191 -21.0873 -21.0873 -5.8435 -5.8435 -2.9223 -2.9223 -1.9842 -1.9842 -1.8802 -1.8802 -1.3310 -1.3310 -1.2600 -1.2600 8.1870 8.1870 10.9471 10.9471 14.9096 14.9096 17.8178 17.8178 k = 0.5426 0.1112-0.0099 ( 4056 PWs) bands (ev): -41.8670 -41.8670 -22.0215 -22.0215 -21.0900 -21.0900 -5.8436 -5.8436 -2.9234 -2.9234 -1.9612 -1.9612 -1.8728 -1.8728 -1.3194 -1.3194 -1.2561 -1.2561 8.1494 8.1494 10.9225 10.9225 14.9038 14.9038 17.8796 17.8796 k = 0.5378 0.1174 0.0028 ( 4056 PWs) bands (ev): -41.8673 -41.8673 -22.0237 -22.0237 -21.0924 -21.0924 -5.8437 -5.8437 -2.9245 -2.9245 -1.9405 -1.9405 -1.8659 -1.8659 -1.3091 -1.3091 -1.2523 -1.2523 8.1154 8.1154 10.9003 10.9003 14.8984 14.8984 17.9374 17.9374 k = 0.5331 0.1237 0.0154 ( 4056 PWs) bands (ev): -41.8675 -41.8675 -22.0256 -22.0256 -21.0946 -21.0946 -5.8439 -5.8439 -2.9254 -2.9254 -1.9224 -1.9224 -1.8594 -1.8594 -1.3003 -1.3003 -1.2486 -1.2486 8.0851 8.0851 10.8805 10.8805 14.8936 14.8936 17.9905 17.9905 k = 0.5284 0.1300 0.0281 ( 4058 PWs) bands (ev): -41.8677 -41.8677 -22.0272 -22.0272 -21.0965 -21.0965 -5.8440 -5.8440 -2.9263 -2.9263 -1.9070 -1.9070 -1.8532 -1.8532 -1.2930 -1.2930 -1.2450 -1.2450 8.0586 8.0586 10.8632 10.8632 14.8894 14.8894 18.0384 18.0384 k = 0.5236 0.1362 0.0407 ( 4060 PWs) bands (ev): -41.8679 -41.8679 -22.0287 -22.0287 -21.0981 -21.0981 -5.8441 -5.8441 -2.9270 -2.9270 -1.8944 -1.8944 -1.8472 -1.8472 -1.2871 -1.2871 -1.2416 -1.2416 8.0361 8.0361 10.8485 10.8485 14.8858 14.8858 18.0803 18.0803 k = 0.5189 0.1425 0.0534 ( 4062 PWs) bands (ev): -41.8680 -41.8680 -22.0298 -22.0298 -21.0994 -21.0994 -5.8442 -5.8442 -2.9276 -2.9276 -1.8847 -1.8847 -1.8417 -1.8417 -1.2826 -1.2826 -1.2385 -1.2385 8.0176 8.0176 10.8364 10.8364 14.8828 14.8828 18.1156 18.1156 k = 0.5142 0.1487 0.0660 ( 4066 PWs) bands (ev): -41.8681 -41.8681 -22.0308 -22.0308 -21.1005 -21.1005 -5.8443 -5.8443 -2.9281 -2.9281 -1.8777 -1.8777 -1.8367 -1.8367 -1.2792 -1.2792 -1.2359 -1.2359 8.0031 8.0031 10.8269 10.8269 14.8805 14.8805 18.1438 18.1438 k = 0.5095 0.1550 0.0787 ( 4064 PWs) bands (ev): -41.8682 -41.8682 -22.0314 -22.0314 -21.1012 -21.1012 -5.8444 -5.8444 -2.9284 -2.9284 -1.8730 -1.8730 -1.8328 -1.8328 -1.2770 -1.2770 -1.2338 -1.2338 7.9927 7.9927 10.8201 10.8201 14.8788 14.8788 18.1643 18.1643 k = 0.5047 0.1613 0.0913 ( 4062 PWs) bands (ev): -41.8682 -41.8682 -22.0318 -22.0318 -21.1016 -21.1016 -5.8444 -5.8444 -2.9286 -2.9286 -1.8704 -1.8704 -1.8303 -1.8303 -1.2757 -1.2757 -1.2326 -1.2326 7.9865 7.9865 10.8161 10.8161 14.8778 14.8778 18.1766 18.1766 k = 0.5000 0.1675 0.1040 ( 4058 PWs) bands (ev): -41.8682 -41.8682 -22.0319 -22.0319 -21.1018 -21.1018 -5.8444 -5.8444 -2.9287 -2.9287 -1.8695 -1.8695 -1.8295 -1.8295 -1.2753 -1.2753 -1.2321 -1.2321 7.9844 7.9844 10.8147 10.8147 14.8774 14.8774 18.1800 18.1807 k = 0.5000 0.1675 0.1040 ( 4058 PWs) bands (ev): -41.8682 -41.8682 -22.0319 -22.0319 -21.1018 -21.1018 -5.8444 -5.8444 -2.9287 -2.9287 -1.8695 -1.8695 -1.8295 -1.8295 -1.2753 -1.2753 -1.2321 -1.2321 7.9844 7.9844 10.8147 10.8147 14.8774 14.8774 18.1800 18.1802 k = 0.4861 0.1629 0.1011 ( 4058 PWs) bands (ev): -41.8682 -41.8682 -22.0325 -22.0325 -21.1011 -21.1011 -5.8472 -5.8472 -2.9252 -2.9252 -1.8693 -1.8693 -1.8292 -1.8292 -1.2755 -1.2755 -1.2324 -1.2324 7.9827 7.9827 10.8153 10.8153 14.8803 14.8803 18.1805 18.1825 k = 0.4722 0.1582 0.0982 ( 4058 PWs) bands (ev): -41.8682 -41.8682 -22.0341 -22.0341 -21.0990 -21.0990 -5.8554 -5.8554 -2.9149 -2.9149 -1.8686 -1.8686 -1.8286 -1.8286 -1.2763 -1.2763 -1.2331 -1.2331 7.9774 7.9774 10.8171 10.8171 14.8888 14.8888 18.1823 18.1826 k = 0.4583 0.1536 0.0953 ( 4058 PWs) bands (ev): -41.8682 -41.8682 -22.0369 -22.0369 -21.0955 -21.0955 -5.8689 -5.8689 -2.8979 -2.8979 -1.8674 -1.8674 -1.8274 -1.8274 -1.2775 -1.2775 -1.2344 -1.2344 7.9688 7.9688 10.8202 10.8202 14.9028 14.9028 18.1852 18.1852 k = 0.4444 0.1489 0.0924 ( 4046 PWs) bands (ev): -41.8682 -41.8682 -22.0406 -22.0406 -21.0907 -21.0907 -5.8874 -5.8874 -2.8745 -2.8745 -1.8658 -1.8658 -1.8258 -1.8258 -1.2793 -1.2793 -1.2362 -1.2362 7.9567 7.9567 10.8247 10.8247 14.9222 14.9222 18.1893 18.1897 k = 0.4306 0.1443 0.0895 ( 4046 PWs) bands (ev): -41.8682 -41.8682 -22.0453 -22.0453 -21.0846 -21.0846 -5.9106 -5.9106 -2.8451 -2.8451 -1.8638 -1.8638 -1.8238 -1.8238 -1.2815 -1.2815 -1.2384 -1.2384 7.9412 7.9412 10.8308 10.8308 14.9466 14.9466 18.1944 18.1945 k = 0.4167 0.1396 0.0866 ( 4053 PWs) bands (ev): -41.8682 -41.8682 -22.0509 -22.0509 -21.0773 -21.0773 -5.9381 -5.9381 -2.8101 -2.8101 -1.8613 -1.8613 -1.8213 -1.8213 -1.2843 -1.2843 -1.2412 -1.2412 7.9224 7.9224 10.8385 10.8385 14.9758 14.9758 18.2014 18.2023 k = 0.4028 0.1350 0.0838 ( 4053 PWs) bands (ev): -41.8682 -41.8682 -22.0574 -22.0574 -21.0690 -21.0690 -5.9693 -5.9693 -2.7701 -2.7701 -1.8583 -1.8583 -1.8183 -1.8183 -1.2875 -1.2875 -1.2444 -1.2444 7.9004 7.9004 10.8481 10.8481 15.0093 15.0093 18.2082 18.2101 k = 0.3889 0.1303 0.0809 ( 4053 PWs) bands (ev): -41.8682 -41.8682 -22.0645 -22.0645 -21.0597 -21.0597 -6.0039 -6.0039 -2.7255 -2.7255 -1.8549 -1.8549 -1.8150 -1.8150 -1.2912 -1.2912 -1.2481 -1.2481 7.8753 7.8753 10.8597 10.8597 15.0468 15.0468 18.2166 18.2186 k = 0.3750 0.1257 0.0780 ( 4047 PWs) bands (ev): -41.8682 -41.8682 -22.0723 -22.0723 -21.0495 -21.0495 -6.0413 -6.0413 -2.6769 -2.6769 -1.8511 -1.8511 -1.8112 -1.8112 -1.2953 -1.2953 -1.2523 -1.2523 7.8473 7.8473 10.8736 10.8736 15.0878 15.0878 18.2268 18.2280 k = 0.3611 0.1210 0.0751 ( 4047 PWs) bands (ev): -41.8682 -41.8682 -22.0807 -22.0807 -21.0385 -21.0385 -6.0810 -6.0810 -2.6249 -2.6249 -1.8469 -1.8469 -1.8070 -1.8070 -1.2999 -1.2999 -1.2569 -1.2569 7.8165 7.8165 10.8899 10.8899 15.1316 15.1316 18.2368 18.2383 k = 0.3472 0.1163 0.0722 ( 4041 PWs) bands (ev): -41.8682 -41.8682 -22.0894 -22.0894 -21.0269 -21.0269 -6.1226 -6.1226 -2.5700 -2.5700 -1.8422 -1.8422 -1.8024 -1.8024 -1.3049 -1.3049 -1.2619 -1.2619 7.7830 7.7830 10.9086 10.9086 15.1778 15.1778 18.2485 18.2492 k = 0.3333 0.1117 0.0693 ( 4026 PWs) bands (ev): -41.8682 -41.8682 -22.0986 -22.0986 -21.0148 -21.0148 -6.1656 -6.1656 -2.5128 -2.5128 -1.8372 -1.8372 -1.7974 -1.7974 -1.3103 -1.3103 -1.2674 -1.2674 7.7473 7.7473 10.9300 10.9300 15.2257 15.2257 18.2608 18.2616 k = 0.3194 0.1070 0.0664 ( 4032 PWs) bands (ev): -41.8682 -41.8682 -22.1080 -22.1080 -21.0022 -21.0022 -6.2095 -6.2095 -2.4538 -2.4538 -1.8318 -1.8318 -1.7921 -1.7921 -1.3162 -1.3162 -1.2732 -1.2732 7.7093 7.7093 10.9540 10.9540 15.2749 15.2749 18.2737 18.2737 k = 0.3056 0.1024 0.0635 ( 4041 PWs) bands (ev): -41.8683 -41.8683 -22.1176 -22.1176 -20.9893 -20.9893 -6.2540 -6.2540 -2.3934 -2.3934 -1.8260 -1.8260 -1.7864 -1.7864 -1.3223 -1.3223 -1.2794 -1.2794 7.6696 7.6696 10.9807 10.9807 15.3245 15.3245 18.2888 18.2895 k = 0.2917 0.0977 0.0607 ( 4041 PWs) bands (ev): -41.8683 -41.8683 -22.1273 -22.1273 -20.9762 -20.9762 -6.2987 -6.2987 -2.3322 -2.3322 -1.8198 -1.8198 -1.7803 -1.7803 -1.3289 -1.3289 -1.2860 -1.2860 7.6283 7.6283 11.0100 11.0100 15.3739 15.3739 18.3029 18.3043 k = 0.2778 0.0931 0.0578 ( 4059 PWs) bands (ev): -41.8683 -41.8683 -22.1370 -22.1370 -20.9630 -20.9630 -6.3432 -6.3432 -2.2706 -2.2706 -1.8133 -1.8133 -1.7740 -1.7740 -1.3357 -1.3357 -1.2929 -1.2929 7.5857 7.5857 11.0420 11.0420 15.4225 15.4225 18.3180 18.3196 k = 0.2639 0.0884 0.0549 ( 4065 PWs) bands (ev): -41.8683 -41.8683 -22.1466 -22.1466 -20.9498 -20.9498 -6.3873 -6.3873 -2.2091 -2.2091 -1.8065 -1.8065 -1.7673 -1.7673 -1.3429 -1.3429 -1.3001 -1.3001 7.5423 7.5423 11.0764 11.0764 15.4695 15.4695 18.3344 18.3359 k = 0.2500 0.0838 0.0520 ( 4068 PWs) bands (ev): -41.8683 -41.8683 -22.1561 -22.1561 -20.9367 -20.9367 -6.4305 -6.4305 -2.1482 -2.1482 -1.7993 -1.7993 -1.7604 -1.7604 -1.3503 -1.3503 -1.3076 -1.3076 7.4983 7.4983 11.1131 11.1131 15.5142 15.5142 18.3505 18.3521 k = 0.2361 0.0791 0.0491 ( 4065 PWs) bands (ev): -41.8683 -41.8683 -22.1654 -22.1654 -20.9238 -20.9238 -6.4728 -6.4728 -2.0881 -2.0881 -1.7918 -1.7918 -1.7533 -1.7533 -1.3579 -1.3579 -1.3153 -1.3153 7.4540 7.4540 11.1519 11.1519 15.5558 15.5558 18.3174 18.3174 k = 0.2222 0.0745 0.0462 ( 4077 PWs) bands (ev): -41.8683 -41.8683 -22.1745 -22.1745 -20.9112 -20.9112 -6.5138 -6.5138 -2.0295 -2.0295 -1.7839 -1.7839 -1.7460 -1.7460 -1.3658 -1.3658 -1.3232 -1.3232 7.4099 7.4099 11.1926 11.1926 15.5936 15.5936 18.1773 18.1773 k = 0.2083 0.0698 0.0433 ( 4071 PWs) bands (ev): -41.8683 -41.8683 -22.1832 -22.1832 -20.8989 -20.8989 -6.5533 -6.5533 -1.9726 -1.9726 -1.7756 -1.7756 -1.7385 -1.7385 -1.3738 -1.3738 -1.3312 -1.3312 7.3663 7.3663 11.2347 11.2347 15.6268 15.6268 18.0457 18.0457 k = 0.1944 0.0652 0.0404 ( 4071 PWs) bands (ev): -41.8683 -41.8683 -22.1916 -22.1916 -20.8870 -20.8870 -6.5911 -6.5911 -1.9182 -1.9182 -1.7667 -1.7667 -1.7308 -1.7308 -1.3819 -1.3819 -1.3394 -1.3394 7.3235 7.3235 11.2780 11.2780 15.6547 15.6547 17.9235 17.9235 k = 0.1806 0.0605 0.0375 ( 4071 PWs) bands (ev): -41.8683 -41.8683 -22.1996 -22.1996 -20.8757 -20.8757 -6.6270 -6.6270 -1.8670 -1.8670 -1.7567 -1.7567 -1.7231 -1.7231 -1.3901 -1.3901 -1.3476 -1.3476 7.2820 7.2820 11.3221 11.3221 15.6766 15.6766 17.8115 17.8115 k = 0.1667 0.0558 0.0347 ( 4071 PWs) bands (ev): -41.8684 -41.8684 -22.2072 -22.2072 -20.8649 -20.8649 -6.6609 -6.6609 -1.8208 -1.8208 -1.7443 -1.7443 -1.7154 -1.7154 -1.3982 -1.3982 -1.3558 -1.3558 7.2419 7.2419 11.3665 11.3665 15.6922 15.6922 17.7103 17.7103 k = 0.1528 0.0512 0.0318 ( 4071 PWs) bands (ev): -41.8684 -41.8684 -22.2143 -22.2143 -20.8548 -20.8548 -6.6925 -6.6925 -1.7835 -1.7835 -1.7259 -1.7259 -1.7077 -1.7077 -1.4063 -1.4063 -1.3640 -1.3640 7.2037 7.2037 11.4107 11.4107 15.7011 15.7011 17.6203 17.6203 k = 0.1389 0.0465 0.0289 ( 4077 PWs) bands (ev): -41.8684 -41.8684 -22.2209 -22.2209 -20.8453 -20.8453 -6.7219 -6.7219 -1.7597 -1.7597 -1.7001 -1.7001 -1.6972 -1.6972 -1.4143 -1.4143 -1.3720 -1.3720 7.1676 7.1676 11.4541 11.4541 15.7034 15.7034 17.5418 17.5418 k = 0.1250 0.0419 0.0260 ( 4089 PWs) bands (ev): -41.8684 -41.8684 -22.2269 -22.2269 -20.8366 -20.8366 -6.7488 -6.7488 -1.7455 -1.7455 -1.6928 -1.6928 -1.6626 -1.6626 -1.4221 -1.4221 -1.3798 -1.3798 7.1341 7.1341 11.4962 11.4962 15.6996 15.6996 17.4748 17.4748 k = 0.1111 0.0372 0.0231 ( 4083 PWs) bands (ev): -41.8684 -41.8684 -22.2324 -22.2324 -20.8286 -20.8286 -6.7732 -6.7732 -1.7354 -1.7354 -1.6856 -1.6856 -1.6278 -1.6278 -1.4295 -1.4295 -1.3873 -1.3873 7.1032 7.1032 11.5363 11.5363 15.6904 15.6904 17.4188 17.4188 k = 0.0972 0.0326 0.0202 ( 4071 PWs) bands (ev): -41.8684 -41.8684 -22.2373 -22.2373 -20.8215 -20.8215 -6.7949 -6.7949 -1.7270 -1.7270 -1.6789 -1.6789 -1.5955 -1.5955 -1.4365 -1.4365 -1.3943 -1.3943 7.0753 7.0753 11.5738 11.5738 15.6771 15.6771 17.3730 17.3730 k = 0.0833 0.0279 0.0173 ( 4080 PWs) bands (ev): -41.8684 -41.8684 -22.2415 -22.2415 -20.8153 -20.8153 -6.8138 -6.8138 -1.7199 -1.7199 -1.6727 -1.6727 -1.5666 -1.5666 -1.4430 -1.4430 -1.4009 -1.4009 7.0507 7.0507 11.6081 11.6081 15.6611 15.6611 17.3364 17.3364 k = 0.0694 0.0233 0.0144 ( 4083 PWs) bands (ev): -41.8684 -41.8684 -22.2452 -22.2452 -20.8100 -20.8100 -6.8300 -6.8300 -1.7137 -1.7137 -1.6671 -1.6671 -1.5416 -1.5416 -1.4488 -1.4488 -1.4067 -1.4067 7.0295 7.0295 11.6384 11.6384 15.6440 15.6440 17.3080 17.3080 k = 0.0556 0.0186 0.0116 ( 4077 PWs) bands (ev): -41.8684 -41.8684 -22.2482 -22.2482 -20.8056 -20.8056 -6.8433 -6.8433 -1.7085 -1.7085 -1.6622 -1.6622 -1.5208 -1.5208 -1.4539 -1.4539 -1.4118 -1.4118 7.0119 7.0119 11.6642 11.6642 15.6274 15.6274 17.2867 17.2867 k = 0.0417 0.0140 0.0087 ( 4065 PWs) bands (ev): -41.8684 -41.8684 -22.2505 -22.2505 -20.8021 -20.8021 -6.8537 -6.8537 -1.7043 -1.7043 -1.6583 -1.6583 -1.5044 -1.5044 -1.4580 -1.4580 -1.4159 -1.4159 6.9980 6.9980 11.6849 11.6849 15.6127 15.6127 17.2712 17.2712 k = 0.0278 0.0093 0.0058 ( 4065 PWs) bands (ev): -41.8684 -41.8684 -22.2522 -22.2522 -20.7997 -20.7997 -6.8612 -6.8612 -1.7012 -1.7012 -1.6554 -1.6554 -1.4926 -1.4926 -1.4611 -1.4611 -1.4190 -1.4190 6.9880 6.9880 11.7001 11.7001 15.6013 15.6013 17.2609 17.2609 k = 0.0139 0.0047 0.0029 ( 4056 PWs) bands (ev): -41.8684 -41.8684 -22.2532 -22.2532 -20.7982 -20.7982 -6.8657 -6.8657 -1.6994 -1.6994 -1.6536 -1.6536 -1.4853 -1.4853 -1.4632 -1.4632 -1.4208 -1.4208 6.9820 6.9820 11.7093 11.7093 15.5940 15.5940 17.2550 17.2550 k = 0.0000 0.0000 0.0000 ( 4047 PWs) bands (ev): -41.8684 -41.8684 -22.2535 -22.2535 -20.7977 -20.7977 -6.8671 -6.8671 -1.6987 -1.6987 -1.6529 -1.6529 -1.4828 -1.4828 -1.4639 -1.4639 -1.4215 -1.4215 6.9800 6.9800 11.7124 11.7124 15.5915 15.5915 17.2530 17.2530 k = 0.0000 0.0000 0.0000 ( 4047 PWs) bands (ev): -41.8684 -41.8684 -22.2535 -22.2535 -20.7977 -20.7977 -6.8671 -6.8671 -1.6987 -1.6987 -1.6529 -1.6529 -1.4828 -1.4828 -1.4639 -1.4639 -1.4215 -1.4215 6.9800 6.9800 11.7124 11.7124 15.5915 15.5915 17.2530 17.2530 k = 0.0047-0.0063-0.0127 ( 4057 PWs) bands (ev): -41.8684 -41.8684 -22.2534 -22.2534 -20.7976 -20.7976 -6.8669 -6.8669 -1.6996 -1.6996 -1.6539 -1.6539 -1.4853 -1.4853 -1.4626 -1.4626 -1.4214 -1.4214 6.9820 6.9820 11.7146 11.7146 15.5908 15.5908 17.2516 17.2516 k = 0.0095-0.0126-0.0254 ( 4055 PWs) bands (ev): -41.8683 -41.8683 -22.2529 -22.2529 -20.7973 -20.7973 -6.8662 -6.8662 -1.7025 -1.7025 -1.6568 -1.6568 -1.4914 -1.4914 -1.4600 -1.4600 -1.4211 -1.4211 6.9882 6.9882 11.7212 11.7212 15.5886 15.5886 17.2475 17.2475 k = 0.0142-0.0189-0.0381 ( 4065 PWs) bands (ev): -41.8682 -41.8682 -22.2520 -22.2520 -20.7968 -20.7968 -6.8649 -6.8649 -1.7074 -1.7074 -1.6613 -1.6613 -1.4995 -1.4995 -1.4575 -1.4575 -1.4207 -1.4207 6.9984 6.9984 11.7322 11.7322 15.5848 15.5848 17.2408 17.2408 k = 0.0190-0.0251-0.0507 ( 4061 PWs) bands (ev): -41.8681 -41.8681 -22.2509 -22.2509 -20.7962 -20.7962 -6.8632 -6.8632 -1.7149 -1.7149 -1.6671 -1.6671 -1.5092 -1.5092 -1.4557 -1.4557 -1.4203 -1.4203 7.0126 7.0126 11.7475 11.7475 15.5796 15.5796 17.2315 17.2315 k = 0.0237-0.0314-0.0634 ( 4069 PWs) bands (ev): -41.8680 -41.8680 -22.2494 -22.2494 -20.7953 -20.7953 -6.8610 -6.8610 -1.7251 -1.7251 -1.6739 -1.6739 -1.5200 -1.5200 -1.4546 -1.4546 -1.4200 -1.4200 7.0308 7.0308 11.7671 11.7671 15.5727 15.5727 17.2199 17.2199 k = 0.0285-0.0377-0.0761 ( 4075 PWs) bands (ev): -41.8679 -41.8679 -22.2476 -22.2476 -20.7943 -20.7943 -6.8583 -6.8583 -1.7382 -1.7382 -1.6814 -1.6814 -1.5317 -1.5317 -1.4543 -1.4543 -1.4199 -1.4199 7.0530 7.0530 11.7910 11.7910 15.5642 15.5642 17.2061 17.2061 k = 0.0332-0.0440-0.0888 ( 4083 PWs) bands (ev): -41.8677 -41.8677 -22.2455 -22.2455 -20.7931 -20.7931 -6.8551 -6.8551 -1.7544 -1.7544 -1.6898 -1.6898 -1.5442 -1.5442 -1.4548 -1.4548 -1.4199 -1.4199 7.0790 7.0790 11.8191 11.8191 15.5540 15.5540 17.1905 17.1905 k = 0.0380-0.0503-0.1015 ( 4083 PWs) bands (ev): -41.8675 -41.8675 -22.2430 -22.2430 -20.7917 -20.7917 -6.8514 -6.8514 -1.7733 -1.7733 -1.6993 -1.6993 -1.5571 -1.5571 -1.4561 -1.4561 -1.4203 -1.4203 7.1089 7.1089 11.8514 11.8514 15.5420 15.5420 17.1733 17.1733 k = 0.0427-0.0566-0.1142 ( 4091 PWs) bands (ev): -41.8672 -41.8672 -22.2403 -22.2403 -20.7901 -20.7901 -6.8473 -6.8473 -1.7949 -1.7949 -1.7101 -1.7101 -1.5702 -1.5702 -1.4581 -1.4581 -1.4209 -1.4209 7.1424 7.1424 11.8877 11.8877 15.5281 15.5281 17.1548 17.1548 k = 0.0474-0.0628-0.1269 ( 4091 PWs) bands (ev): -41.8669 -41.8669 -22.2372 -22.2372 -20.7884 -20.7884 -6.8427 -6.8427 -1.8189 -1.8189 -1.7227 -1.7227 -1.5832 -1.5832 -1.4608 -1.4608 -1.4219 -1.4219 7.1796 7.1796 11.9280 11.9280 15.5123 15.5123 17.1354 17.1354 k = 0.0522-0.0691-0.1395 ( 4091 PWs) bands (ev): -41.8666 -41.8666 -22.2338 -22.2338 -20.7865 -20.7865 -6.8376 -6.8376 -1.8451 -1.8451 -1.7373 -1.7373 -1.5958 -1.5958 -1.4642 -1.4642 -1.4231 -1.4231 7.2203 7.2203 11.9722 11.9722 15.4944 15.4944 17.1154 17.1154 k = 0.0569-0.0754-0.1522 ( 4095 PWs) bands (ev): -41.8663 -41.8663 -22.2302 -22.2302 -20.7844 -20.7844 -6.8321 -6.8321 -1.8732 -1.8732 -1.7540 -1.7540 -1.6080 -1.6080 -1.4682 -1.4682 -1.4247 -1.4247 7.2645 7.2645 12.0202 12.0202 15.4745 15.4745 17.0950 17.0950 k = 0.0617-0.0817-0.1649 ( 4093 PWs) bands (ev): -41.8660 -41.8660 -22.2262 -22.2262 -20.7823 -20.7823 -6.8262 -6.8262 -1.9032 -1.9032 -1.7730 -1.7730 -1.6195 -1.6195 -1.4730 -1.4730 -1.4265 -1.4265 7.3119 7.3119 12.0719 12.0719 15.4524 15.4524 17.0747 17.0747 k = 0.0664-0.0880-0.1776 ( 4095 PWs) bands (ev): -41.8656 -41.8656 -22.2220 -22.2220 -20.7799 -20.7799 -6.8198 -6.8198 -1.9349 -1.9349 -1.7942 -1.7942 -1.6305 -1.6305 -1.4783 -1.4783 -1.4286 -1.4286 7.3626 7.3626 12.1271 12.1271 15.4282 15.4282 17.0546 17.0546 k = 0.0712-0.0943-0.1903 ( 4095 PWs) bands (ev): -41.8652 -41.8652 -22.2175 -22.2175 -20.7775 -20.7775 -6.8130 -6.8130 -1.9680 -1.9680 -1.8175 -1.8175 -1.6411 -1.6411 -1.4843 -1.4843 -1.4309 -1.4309 7.4164 7.4164 12.1858 12.1858 15.4017 15.4017 17.0351 17.0351 k = 0.0759-0.1005-0.2030 ( 4091 PWs) bands (ev): -41.8648 -41.8648 -22.2127 -22.2127 -20.7749 -20.7749 -6.8057 -6.8057 -2.0025 -2.0025 -1.8426 -1.8426 -1.6513 -1.6513 -1.4909 -1.4909 -1.4335 -1.4335 7.4731 7.4731 12.2479 12.2479 15.3730 15.3730 17.0165 17.0165 k = 0.0806-0.1068-0.2157 ( 4099 PWs) bands (ev): -41.8644 -41.8644 -22.2077 -22.2077 -20.7723 -20.7723 -6.7981 -6.7981 -2.0382 -2.0382 -1.8694 -1.8694 -1.6614 -1.6614 -1.4981 -1.4981 -1.4362 -1.4362 7.5327 7.5327 12.3132 12.3132 15.3420 15.3420 16.9987 16.9987 k = 0.0854-0.1131-0.2283 ( 4097 PWs) bands (ev): -41.8639 -41.8639 -22.2024 -22.2024 -20.7695 -20.7695 -6.7901 -6.7901 -2.0749 -2.0749 -1.8976 -1.8976 -1.6714 -1.6714 -1.5059 -1.5059 -1.4391 -1.4391 7.5951 7.5951 12.3815 12.3815 15.3089 15.3089 16.9822 16.9822 k = 0.0901-0.1194-0.2410 ( 4095 PWs) bands (ev): -41.8634 -41.8634 -22.1969 -22.1969 -20.7666 -20.7666 -6.7816 -6.7816 -2.1126 -2.1126 -1.9270 -1.9270 -1.6815 -1.6815 -1.5143 -1.5143 -1.4421 -1.4421 7.6600 7.6600 12.4528 12.4528 15.2738 15.2738 16.9669 16.9669 k = 0.0949-0.1257-0.2537 ( 4097 PWs) bands (ev): -41.8629 -41.8629 -22.1912 -22.1912 -20.7637 -20.7637 -6.7729 -6.7729 -2.1510 -2.1510 -1.9576 -1.9576 -1.6919 -1.6919 -1.5232 -1.5232 -1.4453 -1.4453 7.7275 7.7275 12.5268 12.5268 15.2366 15.2366 16.9530 16.9530 k = 0.0996-0.1320-0.2664 ( 4089 PWs) bands (ev): -41.8624 -41.8624 -22.1853 -22.1853 -20.7607 -20.7607 -6.7637 -6.7637 -2.1900 -2.1900 -1.9889 -1.9889 -1.7025 -1.7025 -1.5326 -1.5326 -1.4486 -1.4486 7.7974 7.7974 12.6035 12.6035 15.1976 15.1976 16.9405 16.9405 k = 0.1044-0.1382-0.2791 ( 4087 PWs) bands (ev): -41.8619 -41.8619 -22.1792 -22.1792 -20.7576 -20.7576 -6.7542 -6.7542 -2.2295 -2.2295 -2.0211 -2.0211 -1.7136 -1.7136 -1.5425 -1.5425 -1.4519 -1.4519 7.8696 7.8696 12.6827 12.6827 15.1568 15.1568 16.9294 16.9294 k = 0.1091-0.1445-0.2918 ( 4085 PWs) bands (ev): -41.8613 -41.8613 -22.1728 -22.1728 -20.7545 -20.7545 -6.7444 -6.7444 -2.2693 -2.2693 -2.0538 -2.0538 -1.7250 -1.7250 -1.5530 -1.5530 -1.4554 -1.4554 7.9440 7.9440 12.7642 12.7642 15.1144 15.1144 16.9197 16.9197 k = 0.1139-0.1508-0.3045 ( 4083 PWs) bands (ev): -41.8608 -41.8608 -22.1663 -22.1663 -20.7514 -20.7514 -6.7343 -6.7343 -2.3094 -2.3094 -2.0869 -2.0869 -1.7370 -1.7370 -1.5639 -1.5639 -1.4590 -1.4590 8.0205 8.0205 12.8479 12.8479 15.0707 15.0707 16.9114 16.9114 k = 0.1186-0.1571-0.3172 ( 4083 PWs) bands (ev): -41.8602 -41.8602 -22.1597 -22.1597 -20.7482 -20.7482 -6.7238 -6.7238 -2.3496 -2.3496 -2.1203 -2.1203 -1.7494 -1.7494 -1.5753 -1.5753 -1.4626 -1.4626 8.0989 8.0989 12.9336 12.9336 15.0256 15.0256 16.9044 16.9044 k = 0.1233-0.1634-0.3298 ( 4083 PWs) bands (ev): -41.8597 -41.8597 -22.1528 -22.1528 -20.7451 -20.7451 -6.7131 -6.7131 -2.3897 -2.3897 -2.1540 -2.1540 -1.7624 -1.7624 -1.5871 -1.5871 -1.4663 -1.4663 8.1793 8.1793 13.0211 13.0211 14.9796 14.9796 16.8985 16.8985 k = 0.1281-0.1697-0.3425 ( 4081 PWs) bands (ev): -41.8591 -41.8591 -22.1459 -22.1459 -20.7419 -20.7419 -6.7021 -6.7021 -2.4296 -2.4296 -2.1876 -2.1876 -1.7760 -1.7760 -1.5994 -1.5994 -1.4701 -1.4701 8.2614 8.2614 13.1102 13.1102 14.9326 14.9326 16.8938 16.8938 k = 0.1328-0.1759-0.3552 ( 4083 PWs) bands (ev): -41.8585 -41.8585 -22.1388 -22.1388 -20.7388 -20.7388 -6.6909 -6.6909 -2.4693 -2.4693 -2.2213 -2.2213 -1.7901 -1.7901 -1.6121 -1.6121 -1.4739 -1.4739 8.3452 8.3452 13.2008 13.2008 14.8849 14.8849 16.8900 16.8900 k = 0.1376-0.1822-0.3679 ( 4085 PWs) bands (ev): -41.8579 -41.8579 -22.1316 -22.1316 -20.7357 -20.7357 -6.6794 -6.6794 -2.5085 -2.5085 -2.2548 -2.2548 -1.8048 -1.8048 -1.6252 -1.6252 -1.4778 -1.4778 8.4307 8.4307 13.2925 13.2925 14.8368 14.8368 16.8868 16.8868 k = 0.1423-0.1885-0.3806 ( 4083 PWs) bands (ev): -41.8573 -41.8573 -22.1243 -22.1243 -20.7326 -20.7326 -6.6676 -6.6676 -2.5473 -2.5473 -2.2880 -2.2880 -1.8201 -1.8201 -1.6388 -1.6388 -1.4817 -1.4817 8.5176 8.5176 13.3852 13.3852 14.7883 14.7883 16.7770 16.7770 k = 0.1471-0.1948-0.3933 ( 4083 PWs) bands (ev): -41.8568 -41.8568 -22.1169 -22.1169 -20.7296 -20.7296 -6.6557 -6.6557 -2.5854 -2.5854 -2.3209 -2.3209 -1.8360 -1.8360 -1.6527 -1.6527 -1.4858 -1.4858 8.6061 8.6061 13.4786 13.4786 14.7396 14.7396 16.6377 16.6377 k = 0.1518-0.2011-0.4060 ( 4083 PWs) bands (ev): -41.8562 -41.8562 -22.1094 -22.1094 -20.7266 -20.7266 -6.6435 -6.6435 -2.6228 -2.6228 -2.3534 -2.3534 -1.8524 -1.8524 -1.6669 -1.6669 -1.4899 -1.4899 8.6959 8.6959 13.5724 13.5724 14.6909 14.6909 16.5010 16.5010 k = 0.1565-0.2074-0.4186 ( 4085 PWs) bands (ev): -41.8556 -41.8556 -22.1019 -22.1019 -20.7238 -20.7238 -6.6312 -6.6312 -2.6594 -2.6594 -2.3853 -2.3853 -1.8694 -1.8694 -1.6816 -1.6816 -1.4941 -1.4941 8.7870 8.7870 13.6662 13.6662 14.6424 14.6424 16.3676 16.3676 k = 0.1613-0.2136-0.4313 ( 4083 PWs) bands (ev): -41.8550 -41.8550 -22.0943 -22.0943 -20.7210 -20.7210 -6.6187 -6.6187 -2.6951 -2.6951 -2.4167 -2.4167 -1.8869 -1.8869 -1.6965 -1.6965 -1.4983 -1.4983 8.8794 8.8794 13.7597 13.7597 14.5941 14.5941 16.2376 16.2376 k = 0.1660-0.2199-0.4440 ( 4085 PWs) bands (ev): -41.8544 -41.8544 -22.0867 -22.0867 -20.7183 -20.7183 -6.6061 -6.6061 -2.7298 -2.7298 -2.4474 -2.4474 -1.9050 -1.9050 -1.7119 -1.7119 -1.5027 -1.5027 8.9729 8.9729 13.8525 13.8525 14.5463 14.5463 16.1114 16.1114 k = 0.1708-0.2262-0.4567 ( 4085 PWs) bands (ev): -41.8538 -41.8538 -22.0791 -22.0791 -20.7157 -20.7157 -6.5933 -6.5933 -2.7635 -2.7635 -2.4773 -2.4773 -1.9235 -1.9235 -1.7275 -1.7275 -1.5071 -1.5071 9.0675 9.0675 13.9438 13.9438 14.4990 14.4990 15.9894 15.9894 k = 0.1755-0.2325-0.4694 ( 4093 PWs) bands (ev): -41.8533 -41.8533 -22.0715 -22.0715 -20.7133 -20.7133 -6.5805 -6.5805 -2.7960 -2.7960 -2.5065 -2.5065 -1.9425 -1.9425 -1.7434 -1.7434 -1.5116 -1.5116 9.1632 9.1632 14.0331 14.0331 14.4524 14.4524 15.8721 15.8721 k = 0.1803-0.2388-0.4821 ( 4087 PWs) bands (ev): -41.8527 -41.8527 -22.0639 -22.0639 -20.7110 -20.7110 -6.5675 -6.5675 -2.8272 -2.8272 -2.5349 -2.5349 -1.9619 -1.9619 -1.7596 -1.7596 -1.5163 -1.5163 9.2599 9.2599 14.1195 14.1195 14.4066 14.4066 15.7601 15.7601 k = 0.1850-0.2451-0.4948 ( 4089 PWs) bands (ev): -41.8521 -41.8521 -22.0563 -22.0563 -20.7088 -20.7088 -6.5544 -6.5544 -2.8572 -2.8572 -2.5623 -2.5623 -1.9818 -1.9818 -1.7761 -1.7761 -1.5210 -1.5210 9.3576 9.3576 14.2016 14.2016 14.3617 14.3617 15.6542 15.6542 k = 0.1898-0.2514-0.5074 ( 4089 PWs) bands (ev): -41.8516 -41.8516 -22.0487 -22.0487 -20.7068 -20.7068 -6.5412 -6.5412 -2.8858 -2.8858 -2.5889 -2.5889 -2.0020 -2.0020 -1.7928 -1.7928 -1.5258 -1.5258 9.4561 9.4561 14.2779 14.2779 14.3180 14.3180 15.5554 15.5554 k = 0.1945-0.2576-0.5201 ( 4085 PWs) bands (ev): -41.8510 -41.8510 -22.0412 -22.0412 -20.7049 -20.7049 -6.5280 -6.5280 -2.9131 -2.9131 -2.6145 -2.6145 -2.0225 -2.0225 -1.8098 -1.8098 -1.5307 -1.5307 9.5554 9.5554 14.2747 14.2747 14.3470 14.3470 15.4656 15.4656 k = 0.1992-0.2639-0.5328 ( 4089 PWs) bands (ev): -41.8505 -41.8505 -22.0337 -22.0337 -20.7033 -20.7033 -6.5147 -6.5147 -2.9388 -2.9388 -2.6392 -2.6392 -2.0433 -2.0433 -1.8270 -1.8270 -1.5358 -1.5358 9.6555 9.6555 14.2330 14.2330 14.4048 14.4048 15.3869 15.3869 k = 0.2040-0.2702-0.5455 ( 4089 PWs) bands (ev): -41.8500 -41.8500 -22.0263 -22.0263 -20.7018 -20.7018 -6.5014 -6.5014 -2.9631 -2.9631 -2.6628 -2.6628 -2.0642 -2.0642 -1.8444 -1.8444 -1.5409 -1.5409 9.7563 9.7563 14.1926 14.1926 14.4483 14.4483 15.3222 15.3222 k = 0.2087-0.2765-0.5582 ( 4093 PWs) bands (ev): -41.8495 -41.8495 -22.0190 -22.0190 -20.7004 -20.7004 -6.4881 -6.4881 -2.9858 -2.9858 -2.6855 -2.6855 -2.0853 -2.0853 -1.8620 -1.8620 -1.5461 -1.5461 9.8578 9.8578 14.1534 14.1534 14.4737 14.4737 15.2747 15.2747 k = 0.2135-0.2828-0.5709 ( 4097 PWs) bands (ev): -41.8490 -41.8490 -22.0118 -22.0118 -20.6993 -20.6993 -6.4747 -6.4747 -3.0069 -3.0069 -2.7073 -2.7073 -2.1065 -2.1065 -1.8798 -1.8798 -1.5515 -1.5515 9.9599 9.9599 14.1155 14.1155 14.4780 14.4780 15.2464 15.2464 k = 0.2182-0.2891-0.5836 ( 4103 PWs) bands (ev): -41.8486 -41.8486 -22.0046 -22.0046 -20.6984 -20.6984 -6.4614 -6.4614 -3.0264 -3.0264 -2.7281 -2.7281 -2.1277 -2.1277 -1.8978 -1.8978 -1.5569 -1.5569 10.0626 10.0626 14.0790 14.0790 14.4612 14.4612 15.2362 15.2362 k = 0.2230-0.2953-0.5962 ( 4105 PWs) bands (ev): -41.8481 -41.8481 -21.9976 -21.9976 -20.6977 -20.6977 -6.4481 -6.4481 -3.0442 -3.0442 -2.7480 -2.7480 -2.1488 -2.1488 -1.9159 -1.9159 -1.5624 -1.5624 10.1658 10.1658 14.0439 14.0439 14.4262 14.4262 15.2404 15.2404 k = 0.2277-0.3016-0.6089 ( 4107 PWs) bands (ev): -41.8477 -41.8477 -21.9908 -21.9908 -20.6971 -20.6971 -6.4347 -6.4347 -3.0604 -3.0604 -2.7670 -2.7670 -2.1697 -2.1697 -1.9341 -1.9341 -1.5680 -1.5680 10.2695 10.2695 14.0104 14.0104 14.3776 14.3776 15.2530 15.2530 k = 0.2324-0.3079-0.6216 ( 4101 PWs) bands (ev): -41.8473 -41.8473 -21.9840 -21.9840 -20.6968 -20.6968 -6.4214 -6.4214 -3.0748 -3.0748 -2.7851 -2.7851 -2.1904 -2.1904 -1.9524 -1.9524 -1.5737 -1.5737 10.3735 10.3735 13.9783 13.9783 14.3200 14.3200 15.2685 15.2685 k = 0.2372-0.3142-0.6343 ( 4099 PWs) bands (ev): -41.8469 -41.8469 -21.9774 -21.9774 -20.6967 -20.6967 -6.4082 -6.4082 -3.0876 -3.0876 -2.8026 -2.8026 -2.2107 -2.2107 -1.9709 -1.9709 -1.5794 -1.5794 10.4780 10.4780 13.9477 13.9477 14.2569 14.2569 15.2826 15.2826 k = 0.2419-0.3205-0.6470 ( 4095 PWs) bands (ev): -41.8465 -41.8465 -21.9709 -21.9709 -20.6968 -20.6968 -6.3949 -6.3949 -3.0987 -3.0987 -2.8193 -2.8193 -2.2305 -2.2305 -1.9894 -1.9894 -1.5852 -1.5852 10.5827 10.5827 13.9186 13.9186 14.1907 14.1907 15.2918 15.2918 k = 0.2467-0.3268-0.6597 ( 4091 PWs) bands (ev): -41.8461 -41.8461 -21.9646 -21.9646 -20.6972 -20.6972 -6.3818 -6.3818 -3.1081 -3.1081 -2.8355 -2.8355 -2.2496 -2.2496 -2.0080 -2.0080 -1.5910 -1.5910 10.6876 10.6876 13.8911 13.8911 14.1230 14.1230 15.2942 15.2942 k = 0.2514-0.3330-0.6724 ( 4093 PWs) bands (ev): -41.8458 -41.8458 -21.9585 -21.9585 -20.6977 -20.6977 -6.3686 -6.3686 -3.1157 -3.1157 -2.8512 -2.8512 -2.2681 -2.2681 -2.0266 -2.0266 -1.5968 -1.5968 10.7927 10.7927 13.8651 13.8651 14.0551 14.0551 15.2885 15.2885 k = 0.2562-0.3393-0.6850 ( 4089 PWs) bands (ev): -41.8455 -41.8455 -21.9525 -21.9525 -20.6985 -20.6985 -6.3556 -6.3556 -3.1217 -3.1217 -2.8665 -2.8665 -2.2856 -2.2856 -2.0453 -2.0453 -1.6027 -1.6027 10.8979 10.8979 13.8406 13.8406 13.9876 13.9876 15.2743 15.2743 k = 0.2609-0.3456-0.6977 ( 4085 PWs) bands (ev): -41.8452 -41.8452 -21.9467 -21.9467 -20.6995 -20.6995 -6.3426 -6.3426 -3.1260 -3.1260 -2.8816 -2.8816 -2.3021 -2.3021 -2.0640 -2.0640 -1.6085 -1.6085 11.0031 11.0031 13.8176 13.8176 13.9210 13.9210 15.2515 15.2515 k = 0.2657-0.3519-0.7104 ( 4085 PWs) bands (ev): -41.8449 -41.8449 -21.9411 -21.9411 -20.7007 -20.7007 -6.3297 -6.3297 -3.1286 -3.1286 -2.8966 -2.8966 -2.3175 -2.3175 -2.0827 -2.0827 -1.6142 -1.6142 11.1083 11.1083 13.7961 13.7961 13.8557 13.8557 15.2207 15.2207 k = 0.2704-0.3582-0.7231 ( 4085 PWs) bands (ev): -41.8446 -41.8446 -21.9357 -21.9357 -20.7021 -20.7021 -6.3169 -6.3169 -3.1295 -3.1295 -2.9116 -2.9116 -2.3315 -2.3315 -2.1013 -2.1013 -1.6200 -1.6200 11.2133 11.2133 13.7754 13.7754 13.7925 13.7925 15.1826 15.1826 k = 0.2751-0.3645-0.7358 ( 4081 PWs) bands (ev): -41.8444 -41.8444 -21.9305 -21.9305 -20.7037 -20.7037 -6.3041 -6.3041 -3.1288 -3.1288 -2.9267 -2.9267 -2.3442 -2.3442 -2.1200 -2.1200 -1.6256 -1.6256 11.3181 11.3181 13.7287 13.7287 13.7583 13.7583 15.1381 15.1381 k = 0.2799-0.3707-0.7485 ( 4081 PWs) bands (ev): -41.8442 -41.8442 -21.9255 -21.9255 -20.7055 -20.7055 -6.2915 -6.2915 -3.1266 -3.1266 -2.9421 -2.9421 -2.3553 -2.3553 -2.1385 -2.1385 -1.6311 -1.6311 11.4226 11.4226 13.6684 13.6684 13.7408 13.7408 15.0880 15.0880 k = 0.2846-0.3770-0.7612 ( 4081 PWs) bands (ev): -41.8440 -41.8440 -21.9206 -21.9206 -20.7075 -20.7075 -6.2790 -6.2790 -3.1228 -3.1228 -2.9578 -2.9578 -2.3647 -2.3647 -2.1570 -2.1570 -1.6364 -1.6364 11.5267 11.5267 13.6097 13.6097 13.7248 13.7248 15.0331 15.0331 k = 0.2894-0.3833-0.7739 ( 4083 PWs) bands (ev): -41.8438 -41.8438 -21.9160 -21.9160 -20.7097 -20.7097 -6.2665 -6.2665 -3.1175 -3.1175 -2.9739 -2.9739 -2.3725 -2.3725 -2.1754 -2.1754 -1.6416 -1.6416 11.6302 11.6302 13.5527 13.5527 13.7103 13.7103 14.9743 14.9743 k = 0.2941-0.3896-0.7865 ( 4085 PWs) bands (ev): -41.8436 -41.8436 -21.9115 -21.9115 -20.7121 -20.7121 -6.2542 -6.2542 -3.1109 -3.1109 -2.9905 -2.9905 -2.3784 -2.3784 -2.1937 -2.1937 -1.6466 -1.6466 11.7331 11.7331 13.4975 13.4975 13.6969 13.6969 14.9121 14.9121 k = 0.2989-0.3959-0.7992 ( 4083 PWs) bands (ev): -41.8435 -41.8435 -21.9073 -21.9073 -20.7147 -20.7147 -6.2420 -6.2420 -3.1029 -3.1029 -3.0075 -3.0075 -2.3827 -2.3827 -2.2118 -2.2118 -1.6513 -1.6513 11.8353 11.8353 13.4440 13.4440 13.6849 13.6849 14.8473 14.8473 k = 0.3036-0.4022-0.8119 ( 4081 PWs) bands (ev): -41.8434 -41.8434 -21.9032 -21.9032 -20.7174 -20.7174 -6.2299 -6.2299 -3.0941 -3.0941 -3.0246 -3.0246 -2.3851 -2.3851 -2.2298 -2.2298 -1.6557 -1.6557 11.9365 11.9365 13.3924 13.3924 13.6739 13.6739 14.7803 14.7803 k = 0.3083-0.4084-0.8246 ( 4083 PWs) bands (ev): -41.8433 -41.8433 -21.8994 -21.8994 -20.7203 -20.7203 -6.2180 -6.2180 -3.0854 -3.0854 -3.0408 -3.0408 -2.3859 -2.3859 -2.2476 -2.2476 -1.6597 -1.6597 12.0366 12.0366 13.3426 13.3426 13.6642 13.6642 14.7116 14.7116 k = 0.3131-0.4147-0.8373 ( 4083 PWs) bands (ev): -41.8432 -41.8432 -21.8958 -21.8958 -20.7234 -20.7234 -6.2062 -6.2062 -3.0819 -3.0819 -3.0511 -3.0511 -2.3851 -2.3851 -2.2652 -2.2652 -1.6633 -1.6633 12.1354 12.1354 13.2945 13.2945 13.6556 13.6556 14.6416 14.6416 k = 0.3178-0.4210-0.8500 ( 4085 PWs) bands (ev): -41.8432 -41.8432 -21.8923 -21.8923 -20.7265 -20.7265 -6.1945 -6.1945 -3.0922 -3.0922 -3.0468 -3.0468 -2.3828 -2.3828 -2.2825 -2.2825 -1.6665 -1.6665 12.2328 12.2328 13.2481 13.2481 13.6481 13.6481 14.5706 14.5706 k = 0.3226-0.4273-0.8627 ( 4087 PWs) bands (ev): -41.8431 -41.8431 -21.8890 -21.8890 -20.7299 -20.7299 -6.1830 -6.1830 -3.1099 -3.1099 -3.0346 -3.0346 -2.3793 -2.3793 -2.2994 -2.2994 -1.6692 -1.6692 12.3284 12.3284 13.2034 13.2034 13.6419 13.6419 14.4989 14.4989 k = 0.3273-0.4336-0.8753 ( 4089 PWs) bands (ev): -41.8431 -41.8431 -21.8860 -21.8860 -20.7333 -20.7333 -6.1716 -6.1716 -3.1297 -3.1297 -3.0195 -3.0195 -2.3748 -2.3748 -2.3158 -2.3158 -1.6713 -1.6713 12.4219 12.4219 13.1603 13.1603 13.6370 13.6370 14.4268 14.4268 k = 0.3321-0.4399-0.8880 ( 4095 PWs) bands (ev): -41.8431 -41.8431 -21.8831 -21.8831 -20.7368 -20.7368 -6.1604 -6.1604 -3.1504 -3.1504 -3.0029 -3.0029 -2.3701 -2.3701 -2.3309 -2.3309 -1.6728 -1.6728 12.5130 12.5130 13.1189 13.1189 13.6337 13.6337 14.3544 14.3544 k = 0.3368-0.4461-0.9007 ( 4099 PWs) bands (ev): -41.8431 -41.8431 -21.8804 -21.8804 -20.7405 -20.7405 -6.1493 -6.1493 -3.1716 -3.1716 -2.9850 -2.9850 -2.3679 -2.3679 -2.3423 -2.3423 -1.6735 -1.6735 12.6012 12.6012 13.0790 13.0790 13.6321 13.6321 14.2821 14.2821 k = 0.3416-0.4524-0.9134 ( 4101 PWs) bands (ev): -41.8431 -41.8431 -21.8779 -21.8779 -20.7442 -20.7442 -6.1385 -6.1385 -3.1932 -3.1932 -2.9661 -2.9661 -2.3746 -2.3746 -2.3438 -2.3438 -1.6735 -1.6735 12.6859 12.6859 13.0406 13.0406 13.6328 13.6328 14.2100 14.2100 k = 0.3463-0.4587-0.9261 ( 4101 PWs) bands (ev): -41.8431 -41.8431 -21.8756 -21.8756 -20.7480 -20.7480 -6.1278 -6.1278 -3.2149 -3.2149 -2.9464 -2.9464 -2.3876 -2.3876 -2.3380 -2.3380 -1.6727 -1.6727 12.7663 12.7663 13.0038 13.0038 13.6364 13.6364 14.1382 14.1382 k = 0.6537-0.2912-0.8221 ( 4101 PWs) bands (ev): -41.8431 -41.8431 -21.8756 -21.8756 -20.7480 -20.7480 -6.1278 -6.1278 -3.2149 -3.2149 -2.9464 -2.9464 -2.3876 -2.3876 -2.3380 -2.3380 -1.6727 -1.6727 12.7663 12.7663 13.0038 13.0038 13.6364 13.6364 14.1382 14.1382 k = 0.6490-0.2773-0.8221 ( 4101 PWs) bands (ev): -41.8432 -41.8432 -21.8734 -21.8734 -20.7518 -20.7518 -6.1176 -6.1176 -3.2364 -3.2364 -2.9261 -2.9261 -2.4020 -2.4020 -2.3300 -2.3300 -1.6711 -1.6711 12.8401 12.8401 12.9690 12.9690 13.6434 13.6434 14.0681 14.0681 k = 0.6444-0.2634-0.8221 ( 4099 PWs) bands (ev): -41.8432 -41.8432 -21.8714 -21.8714 -20.7557 -20.7557 -6.1075 -6.1075 -3.2579 -3.2579 -2.9053 -2.9053 -2.4165 -2.4165 -2.3212 -2.3212 -1.6685 -1.6685 12.9077 12.9077 12.9358 12.9358 13.6548 13.6548 13.9987 13.9987 k = 0.6397-0.2495-0.8221 ( 4097 PWs) bands (ev): -41.8433 -41.8433 -21.8696 -21.8696 -20.7596 -20.7596 -6.0976 -6.0976 -3.2793 -3.2793 -2.8838 -2.8838 -2.4309 -2.4309 -2.3120 -2.3120 -1.6649 -1.6649 12.9032 12.9032 12.9686 12.9686 13.6717 13.6717 13.9301 13.9301 k = 0.6351-0.2356-0.8221 ( 4095 PWs) bands (ev): -41.8434 -41.8434 -21.8679 -21.8679 -20.7635 -20.7635 -6.0880 -6.0880 -3.3005 -3.3005 -2.8618 -2.8618 -2.4451 -2.4451 -2.3028 -2.3028 -1.6604 -1.6604 12.8725 12.8725 13.0207 13.0207 13.6951 13.6951 13.8623 13.8623 k = 0.6304-0.2217-0.8221 ( 4093 PWs) bands (ev): -41.8434 -41.8434 -21.8664 -21.8664 -20.7674 -20.7674 -6.0785 -6.0785 -3.3216 -3.3216 -2.8395 -2.8395 -2.4589 -2.4589 -2.2936 -2.2936 -1.6548 -1.6548 12.8429 12.8429 13.0635 13.0635 13.7258 13.7258 13.7955 13.7955 k = 0.6258-0.2078-0.8221 ( 4089 PWs) bands (ev): -41.8435 -41.8435 -21.8650 -21.8650 -20.7713 -20.7713 -6.0693 -6.0693 -3.3424 -3.3424 -2.8168 -2.8168 -2.4724 -2.4724 -2.2847 -2.2847 -1.6482 -1.6482 12.8146 12.8146 13.0967 13.0967 13.7292 13.7292 13.7647 13.7647 k = 0.6211-0.1939-0.8221 ( 4093 PWs) bands (ev): -41.8436 -41.8436 -21.8637 -21.8637 -20.7752 -20.7752 -6.0604 -6.0604 -3.3628 -3.3628 -2.7940 -2.7940 -2.4854 -2.4854 -2.2762 -2.2762 -1.6405 -1.6405 12.7874 12.7874 13.1206 13.1206 13.6649 13.6649 13.8101 13.8101 k = 0.6164-0.1800-0.8221 ( 4095 PWs) bands (ev): -41.8437 -41.8437 -21.8626 -21.8626 -20.7790 -20.7790 -6.0517 -6.0517 -3.3829 -3.3829 -2.7710 -2.7710 -2.4980 -2.4980 -2.2681 -2.2681 -1.6318 -1.6318 12.7615 12.7615 13.1361 13.1361 13.6017 13.6017 13.8621 13.8621 k = 0.6118-0.1661-0.8221 ( 4091 PWs) bands (ev): -41.8438 -41.8438 -21.8615 -21.8615 -20.7829 -20.7829 -6.0433 -6.0433 -3.4026 -3.4026 -2.7482 -2.7482 -2.5101 -2.5101 -2.2606 -2.2606 -1.6222 -1.6222 12.7367 12.7367 13.1444 13.1444 13.5398 13.5398 13.9193 13.9193 k = 0.6071-0.1522-0.8221 ( 4095 PWs) bands (ev): -41.8440 -41.8440 -21.8606 -21.8606 -20.7867 -20.7867 -6.0351 -6.0351 -3.4218 -3.4218 -2.7255 -2.7255 -2.5215 -2.5215 -2.2536 -2.2536 -1.6116 -1.6116 12.7130 12.7130 13.1468 13.1468 13.4794 13.4794 13.9803 13.9803 k = 0.6025-0.1383-0.8221 ( 4089 PWs) bands (ev): -41.8441 -41.8441 -21.8598 -21.8598 -20.7904 -20.7904 -6.0272 -6.0272 -3.4405 -3.4405 -2.7033 -2.7033 -2.5323 -2.5323 -2.2473 -2.2473 -1.6002 -1.6002 12.6904 12.6904 13.1444 13.1444 13.4207 13.4207 14.0441 14.0441 k = 0.5978-0.1244-0.8221 ( 4083 PWs) bands (ev): -41.8442 -41.8442 -21.8590 -21.8590 -20.7940 -20.7940 -6.0196 -6.0196 -3.4586 -3.4586 -2.6817 -2.6817 -2.5421 -2.5421 -2.2416 -2.2416 -1.5880 -1.5880 12.6688 12.6688 13.1382 13.1382 13.3637 13.3637 14.1096 14.1096 k = 0.5932-0.1105-0.8221 ( 4087 PWs) bands (ev): -41.8443 -41.8443 -21.8584 -21.8584 -20.7976 -20.7976 -6.0123 -6.0123 -3.4761 -3.4761 -2.6613 -2.6613 -2.5505 -2.5505 -2.2365 -2.2365 -1.5751 -1.5751 12.6484 12.6484 13.1291 13.1291 13.3085 13.3085 14.1762 14.1762 k = 0.5885-0.0966-0.8221 ( 4083 PWs) bands (ev): -41.8444 -41.8444 -21.8578 -21.8578 -20.8010 -20.8010 -6.0053 -6.0053 -3.4929 -3.4929 -2.6431 -2.6431 -2.5568 -2.5568 -2.2320 -2.2320 -1.5618 -1.5618 12.6290 12.6290 13.1177 13.1177 13.2552 13.2552 14.2430 14.2430 k = 0.5838-0.0827-0.8221 ( 4085 PWs) bands (ev): -41.8445 -41.8445 -21.8573 -21.8573 -20.8044 -20.8044 -5.9986 -5.9986 -3.5091 -3.5091 -2.6287 -2.6287 -2.5593 -2.5593 -2.2282 -2.2282 -1.5480 -1.5480 12.6105 12.6105 13.1045 13.1045 13.2039 13.2039 14.3096 14.3096 k = 0.5792-0.0688-0.8221 ( 4088 PWs) bands (ev): -41.8447 -41.8447 -21.8569 -21.8569 -20.8076 -20.8076 -5.9923 -5.9923 -3.5246 -3.5246 -2.6206 -2.6206 -2.5555 -2.5555 -2.2248 -2.2248 -1.5340 -1.5340 12.5931 12.5931 13.0901 13.0901 13.1548 13.1548 14.3755 14.3755 k = 0.5745-0.0549-0.8221 ( 4086 PWs) bands (ev): -41.8448 -41.8448 -21.8565 -21.8565 -20.8107 -20.8107 -5.9862 -5.9862 -3.5393 -3.5393 -2.6192 -2.6192 -2.5452 -2.5452 -2.2220 -2.2220 -1.5199 -1.5199 12.5767 12.5767 13.0748 13.0748 13.1079 13.1079 14.4403 14.4403 k = 0.5699-0.0410-0.8221 ( 4084 PWs) bands (ev): -41.8449 -41.8449 -21.8562 -21.8562 -20.8137 -20.8137 -5.9805 -5.9805 -3.5533 -3.5533 -2.6221 -2.6221 -2.5309 -2.5309 -2.2196 -2.2196 -1.5058 -1.5058 12.5613 12.5613 13.0588 13.0588 13.0635 13.0635 14.5037 14.5037 k = 0.5652-0.0271-0.8221 ( 4084 PWs) bands (ev): -41.8450 -41.8450 -21.8559 -21.8559 -20.8165 -20.8165 -5.9751 -5.9751 -3.5665 -3.5665 -2.6270 -2.6270 -2.5149 -2.5149 -2.2176 -2.2176 -1.4919 -1.4919 12.5468 12.5468 13.0212 13.0212 13.0429 13.0429 14.5654 14.5654 k = 0.5606-0.0132-0.8221 ( 4084 PWs) bands (ev): -41.8451 -41.8451 -21.8557 -21.8557 -20.8192 -20.8192 -5.9701 -5.9701 -3.5789 -3.5789 -2.6325 -2.6325 -2.4986 -2.4986 -2.2160 -2.2160 -1.4783 -1.4783 12.5334 12.5334 12.9816 12.9816 13.0268 13.0268 14.6249 14.6249 k = 0.5559 0.0007-0.8221 ( 4086 PWs) bands (ev): -41.8452 -41.8452 -21.8555 -21.8555 -20.8217 -20.8217 -5.9654 -5.9654 -3.5905 -3.5905 -2.6382 -2.6382 -2.4827 -2.4827 -2.2147 -2.2147 -1.4651 -1.4651 12.5208 12.5208 12.9445 12.9445 13.0110 13.0110 14.6820 14.6820 k = 0.5512 0.0146-0.8221 ( 4088 PWs) bands (ev): -41.8453 -41.8453 -21.8554 -21.8554 -20.8241 -20.8241 -5.9611 -5.9611 -3.6012 -3.6012 -2.6438 -2.6438 -2.4674 -2.4674 -2.2136 -2.2136 -1.4525 -1.4525 12.5092 12.5092 12.9102 12.9102 12.9956 12.9956 14.7364 14.7364 k = 0.5466 0.0285-0.8221 ( 4082 PWs) bands (ev): -41.8454 -41.8454 -21.8553 -21.8553 -20.8262 -20.8262 -5.9572 -5.9572 -3.6110 -3.6110 -2.6491 -2.6491 -2.4531 -2.4531 -2.2128 -2.2128 -1.4405 -1.4405 12.4986 12.4986 12.8786 12.8786 12.9810 12.9810 14.7876 14.7876 k = 0.5419 0.0424-0.8221 ( 4080 PWs) bands (ev): -41.8455 -41.8455 -21.8552 -21.8552 -20.8282 -20.8282 -5.9536 -5.9536 -3.6199 -3.6199 -2.6539 -2.6539 -2.4398 -2.4398 -2.2121 -2.2121 -1.4294 -1.4294 12.4889 12.4889 12.8498 12.8498 12.9671 12.9671 14.8354 14.8354 k = 0.5373 0.0563-0.8221 ( 4080 PWs) bands (ev): -41.8456 -41.8456 -21.8551 -21.8551 -20.8300 -20.8300 -5.9503 -5.9503 -3.6280 -3.6280 -2.6584 -2.6584 -2.4277 -2.4277 -2.2116 -2.2116 -1.4191 -1.4191 12.4802 12.4802 12.8239 12.8239 12.9543 12.9543 14.8794 14.8794 k = 0.5326 0.0702-0.8221 ( 4074 PWs) bands (ev): -41.8456 -41.8456 -21.8551 -21.8551 -20.8316 -20.8315 -5.9475 -5.9475 -3.6351 -3.6351 -2.6624 -2.6624 -2.4169 -2.4169 -2.2113 -2.2113 -1.4098 -1.4098 12.4725 12.4725 12.8010 12.8010 12.9427 12.9427 14.9192 14.9192 k = 0.5279 0.0841-0.8221 ( 4080 PWs) bands (ev): -41.8457 -41.8457 -21.8550 -21.8550 -20.8329 -20.8329 -5.9450 -5.9450 -3.6413 -3.6413 -2.6659 -2.6659 -2.4073 -2.4073 -2.2110 -2.2110 -1.4016 -1.4016 12.4657 12.4657 12.7811 12.7811 12.9323 12.9323 14.9546 14.9546 k = 0.5233 0.0980-0.8221 ( 4078 PWs) bands (ev): -41.8457 -41.8457 -21.8550 -21.8550 -20.8341 -20.8341 -5.9429 -5.9429 -3.6466 -3.6466 -2.6688 -2.6688 -2.3992 -2.3992 -2.2108 -2.2108 -1.3945 -1.3945 12.4600 12.4600 12.7641 12.7641 12.9233 12.9233 14.9852 14.9852 k = 0.5186 0.1119-0.8221 ( 4080 PWs) bands (ev): -41.8458 -41.8458 -21.8550 -21.8550 -20.8351 -20.8351 -5.9412 -5.9412 -3.6509 -3.6509 -2.6713 -2.6713 -2.3924 -2.3924 -2.2106 -2.2106 -1.3887 -1.3887 12.4553 12.4553 12.7503 12.7503 12.9159 12.9159 15.0106 15.0106 k = 0.5140 0.1258-0.8221 ( 4086 PWs) bands (ev): -41.8458 -41.8458 -21.8550 -21.8550 -20.8358 -20.8358 -5.9398 -5.9398 -3.6543 -3.6543 -2.6732 -2.6732 -2.3872 -2.3872 -2.2105 -2.2105 -1.3841 -1.3841 12.4515 12.4515 12.7394 12.7394 12.9100 12.9100 15.0307 15.0307 k = 0.5093 0.1397-0.8221 ( 4094 PWs) bands (ev): -41.8458 -41.8458 -21.8550 -21.8550 -20.8364 -20.8364 -5.9389 -5.9389 -3.6567 -3.6567 -2.6746 -2.6746 -2.3834 -2.3834 -2.2105 -2.2105 -1.3807 -1.3807 12.4489 12.4489 12.7317 12.7317 12.9057 12.9057 15.0453 15.0453 k = 0.5047 0.1536-0.8221 ( 4098 PWs) bands (ev): -41.8459 -41.8459 -21.8550 -21.8550 -20.8367 -20.8367 -5.9383 -5.9383 -3.6581 -3.6581 -2.6754 -2.6754 -2.3811 -2.3811 -2.2104 -2.2104 -1.3787 -1.3787 12.4473 12.4473 12.7271 12.7271 12.9032 12.9032 15.0540 15.0540 k = 0.5000 0.1675-0.8221 ( 4102 PWs) bands (ev): -41.8459 -41.8459 -21.8550 -21.8550 -20.8368 -20.8368 -5.9381 -5.9381 -3.6586 -3.6586 -2.6757 -2.6757 -2.3803 -2.3803 -2.2104 -2.2104 -1.3781 -1.3781 12.4467 12.4467 12.7255 12.7255 12.9023 12.9023 15.0570 15.0570 k = 0.5000 0.1675-0.8221 ( 4102 PWs) bands (ev): -41.8459 -41.8459 -21.8550 -21.8550 -20.8368 -20.8368 -5.9381 -5.9381 -3.6586 -3.6586 -2.6757 -2.6757 -2.3803 -2.3803 -2.2104 -2.2104 -1.3781 -1.3781 12.4467 12.4467 12.7255 12.7255 12.9023 12.9023 15.0570 15.0570 k = 0.5118 0.1715-0.8141 ( 4099 PWs) bands (ev): -41.8459 -41.8459 -21.8551 -21.8551 -20.8367 -20.8367 -5.9387 -5.9387 -3.6572 -3.6572 -2.6790 -2.6790 -2.3799 -2.3799 -2.2075 -2.2075 -1.3785 -1.3785 12.4420 12.4420 12.6870 12.6870 12.9457 12.9457 15.0588 15.0588 k = 0.5236 0.1755-0.8061 ( 4100 PWs) bands (ev): -41.8459 -41.8459 -21.8555 -21.8555 -20.8363 -20.8363 -5.9404 -5.9404 -3.6529 -3.6529 -2.6888 -2.6888 -2.3785 -2.3785 -2.1992 -2.1992 -1.3798 -1.3798 12.4242 12.4242 12.6213 12.6213 13.0299 13.0299 15.0642 15.0642 k = 0.5355 0.1794-0.7981 ( 4094 PWs) bands (ev): -41.8459 -41.8459 -21.8561 -21.8561 -20.8357 -20.8357 -5.9432 -5.9432 -3.6457 -3.6457 -2.7041 -2.7041 -2.3763 -2.3763 -2.1860 -2.1860 -1.3819 -1.3819 12.3831 12.3831 12.5693 12.5693 13.1239 13.1239 15.0733 15.0733 k = 0.5473 0.1834-0.7901 ( 4087 PWs) bands (ev): -41.8459 -41.8459 -21.8571 -21.8571 -20.8349 -20.8349 -5.9472 -5.9472 -3.6359 -3.6359 -2.7241 -2.7241 -2.3732 -2.3732 -2.1690 -2.1690 -1.3848 -1.3848 12.3153 12.3153 12.5414 12.5414 13.2208 13.2208 15.0859 15.0859 k = 0.5591 0.1873-0.7821 ( 4080 PWs) bands (ev): -41.8459 -41.8459 -21.8582 -21.8582 -20.8338 -20.8338 -5.9522 -5.9522 -3.6234 -3.6234 -2.7476 -2.7476 -2.3694 -2.3694 -2.1492 -2.1492 -1.3886 -1.3886 12.2309 12.2309 12.5295 12.5295 13.3183 13.3183 15.1019 15.1019 k = 0.5709 0.1913-0.7741 ( 4073 PWs) bands (ev): -41.8459 -41.8459 -21.8597 -21.8597 -20.8324 -20.8324 -5.9582 -5.9582 -3.6084 -3.6084 -2.7735 -2.7735 -2.3648 -2.3648 -2.1274 -2.1274 -1.3932 -1.3932 12.1395 12.1395 12.5251 12.5251 13.4155 13.4155 15.1214 15.1214 k = 0.5828 0.1953-0.7661 ( 4076 PWs) bands (ev): -41.8459 -41.8459 -21.8614 -21.8614 -20.8308 -20.8308 -5.9652 -5.9652 -3.5912 -3.5912 -2.8011 -2.8011 -2.3594 -2.3594 -2.1045 -2.1045 -1.3986 -1.3986 12.0454 12.0454 12.5244 12.5244 13.5117 13.5117 15.1441 15.1441 k = 0.5946 0.1992-0.7581 ( 4080 PWs) bands (ev): -41.8460 -41.8460 -21.8633 -21.8633 -20.8290 -20.8290 -5.9732 -5.9732 -3.5719 -3.5719 -2.8295 -2.8295 -2.3533 -2.3533 -2.0809 -2.0809 -1.4048 -1.4048 11.9503 11.9503 12.5259 12.5259 13.6062 13.6062 15.1699 15.1699 k = 0.6064 0.2032-0.7501 ( 4080 PWs) bands (ev): -41.8460 -41.8460 -21.8655 -21.8655 -20.8270 -20.8270 -5.9821 -5.9821 -3.5508 -3.5508 -2.8581 -2.8581 -2.3464 -2.3464 -2.0572 -2.0572 -1.4117 -1.4117 11.8554 11.8554 12.5288 12.5288 13.6987 13.6987 15.1986 15.1986 k = 0.6182 0.2072-0.7421 ( 4082 PWs) bands (ev): -41.8460 -41.8460 -21.8680 -21.8680 -20.8247 -20.8247 -5.9918 -5.9918 -3.5284 -3.5284 -2.8862 -2.8862 -2.3387 -2.3387 -2.0338 -2.0338 -1.4195 -1.4195 11.7611 11.7611 12.5330 12.5330 13.7888 13.7888 15.2298 15.2298 k = 0.6301 0.2111-0.7341 ( 4084 PWs) bands (ev): -41.8461 -41.8461 -21.8707 -21.8707 -20.8222 -20.8222 -6.0023 -6.0023 -3.5050 -3.5050 -2.9131 -2.9131 -2.3304 -2.3304 -2.0109 -2.0109 -1.4280 -1.4280 11.6678 11.6678 12.5381 12.5381 13.8760 13.8760 15.2633 15.2633 k = 0.6419 0.2151-0.7261 ( 4084 PWs) bands (ev): -41.8461 -41.8461 -21.8736 -21.8736 -20.8195 -20.8195 -6.0135 -6.0135 -3.4812 -3.4812 -2.9381 -2.9381 -2.3212 -2.3212 -1.9887 -1.9887 -1.4371 -1.4371 11.5756 11.5756 12.5443 12.5443 13.9599 13.9599 15.2987 15.2987 k = 0.6537 0.2190-0.7181 ( 4085 PWs) bands (ev): -41.8462 -41.8462 -21.8767 -21.8767 -20.8166 -20.8166 -6.0255 -6.0255 -3.4579 -3.4579 -2.9604 -2.9604 -2.3114 -2.3114 -1.9676 -1.9676 -1.4470 -1.4470 11.4849 11.4849 12.5513 12.5513 14.0403 14.0403 15.3354 15.3354 k = 0.6537 0.2190-0.7181 ( 4085 PWs) bands (ev): -41.8462 -41.8462 -21.8767 -21.8767 -20.8166 -20.8166 -6.0255 -6.0255 -3.4579 -3.4579 -2.9604 -2.9604 -2.3114 -2.3114 -1.9676 -1.9676 -1.4470 -1.4470 11.4849 11.4849 12.5513 12.5513 14.0403 14.0403 15.3354 15.3354 k = 0.6510 0.2181-0.7034 ( 4090 PWs) bands (ev): -41.8463 -41.8463 -21.8757 -21.8757 -20.8215 -20.8215 -6.0156 -6.0156 -3.4509 -3.4509 -2.9594 -2.9594 -2.3085 -2.3085 -1.9716 -1.9716 -1.4455 -1.4455 11.4331 11.4331 12.5735 12.5735 14.0465 14.0465 15.3426 15.3426 k = 0.6482 0.2172-0.6888 ( 4090 PWs) bands (ev): -41.8465 -41.8465 -21.8749 -21.8749 -20.8266 -20.8266 -6.0059 -6.0059 -3.4422 -3.4422 -2.9576 -2.9576 -2.3050 -2.3050 -1.9750 -1.9750 -1.4437 -1.4437 11.3751 11.3751 12.5923 12.5923 14.0609 14.0609 15.3518 15.3518 k = 0.6455 0.2163-0.6741 ( 4086 PWs) bands (ev): -41.8467 -41.8467 -21.8745 -21.8745 -20.8319 -20.8319 -5.9965 -5.9965 -3.4318 -3.4318 -2.9549 -2.9549 -2.3010 -2.3010 -1.9778 -1.9778 -1.4417 -1.4417 11.3124 11.3124 12.6059 12.6059 14.0835 14.0835 15.3629 15.3629 k = 0.6427 0.2154-0.6594 ( 4092 PWs) bands (ev): -41.8470 -41.8470 -21.8745 -21.8745 -20.8375 -20.8375 -5.9874 -5.9874 -3.4197 -3.4197 -2.9515 -2.9515 -2.2964 -2.2964 -1.9798 -1.9798 -1.4394 -1.4394 11.2460 11.2460 12.6133 12.6133 14.1144 14.1144 15.3760 15.3760 k = 0.6400 0.2144-0.6447 ( 4090 PWs) bands (ev): -41.8472 -41.8472 -21.8747 -21.8747 -20.8432 -20.8432 -5.9785 -5.9785 -3.4059 -3.4059 -2.9474 -2.9474 -2.2913 -2.2913 -1.9811 -1.9811 -1.4369 -1.4369 11.1766 11.1766 12.6141 12.6141 14.1529 14.1529 15.3910 15.3910 k = 0.6372 0.2135-0.6300 ( 4090 PWs) bands (ev): -41.8475 -41.8475 -21.8753 -21.8753 -20.8490 -20.8490 -5.9699 -5.9699 -3.3904 -3.3904 -2.9427 -2.9427 -2.2856 -2.2856 -1.9815 -1.9815 -1.4341 -1.4341 11.1050 11.1050 12.6082 12.6082 14.1983 14.1983 15.4079 15.4079 k = 0.6345 0.2126-0.6154 ( 4099 PWs) bands (ev): -41.8479 -41.8479 -21.8762 -21.8762 -20.8551 -20.8551 -5.9616 -5.9616 -3.3734 -3.3734 -2.9374 -2.9374 -2.2795 -2.2795 -1.9810 -1.9810 -1.4311 -1.4311 11.0314 11.0314 12.5959 12.5959 14.2496 14.2496 15.4266 15.4266 k = 0.6317 0.2117-0.6007 ( 4101 PWs) bands (ev): -41.8482 -41.8482 -21.8774 -21.8774 -20.8613 -20.8613 -5.9536 -5.9536 -3.3548 -3.3548 -2.9316 -2.9316 -2.2728 -2.2728 -1.9795 -1.9795 -1.4279 -1.4279 10.9562 10.9562 12.5778 12.5778 14.3055 14.3055 15.4472 15.4472 k = 0.6290 0.2108-0.5860 ( 4094 PWs) bands (ev): -41.8486 -41.8486 -21.8789 -21.8789 -20.8676 -20.8676 -5.9459 -5.9459 -3.3348 -3.3348 -2.9254 -2.9254 -2.2657 -2.2657 -1.9771 -1.9771 -1.4245 -1.4245 10.8798 10.8798 12.5544 12.5544 14.3647 14.3647 15.4698 15.4698 k = 0.6263 0.2098-0.5713 ( 4098 PWs) bands (ev): -41.8490 -41.8490 -21.8807 -21.8807 -20.8741 -20.8741 -5.9384 -5.9384 -3.3133 -3.3133 -2.9188 -2.9188 -2.2580 -2.2580 -1.9735 -1.9735 -1.4209 -1.4209 10.8022 10.8022 12.5266 12.5266 14.4261 14.4261 15.4946 15.4946 k = 0.6235 0.2089-0.5566 ( 4098 PWs) bands (ev): -41.8494 -41.8494 -21.8827 -21.8827 -20.8807 -20.8807 -5.9313 -5.9313 -3.2905 -3.2905 -2.9119 -2.9119 -2.2500 -2.2500 -1.9688 -1.9688 -1.4171 -1.4171 10.7236 10.7236 12.4947 12.4947 14.4883 14.4883 15.5217 15.5217 k = 0.6208 0.2080-0.5420 ( 4098 PWs) bands (ev): -41.8498 -41.8498 -21.8851 -21.8851 -20.8873 -20.8873 -5.9245 -5.9245 -3.2664 -3.2664 -2.9047 -2.9047 -2.2415 -2.2415 -1.9630 -1.9630 -1.4131 -1.4131 10.6441 10.6441 12.4595 12.4595 14.5502 14.5502 15.5514 15.5514 k = 0.6180 0.2071-0.5273 ( 4100 PWs) bands (ev): -41.8502 -41.8502 -21.8876 -21.8876 -20.8941 -20.8941 -5.9179 -5.9179 -3.2411 -3.2411 -2.8973 -2.8973 -2.2325 -2.2325 -1.9560 -1.9560 -1.4089 -1.4089 10.5640 10.5640 12.4214 12.4214 14.6105 14.6105 15.5840 15.5840 k = 0.6153 0.2062-0.5126 ( 4102 PWs) bands (ev): -41.8507 -41.8507 -21.8905 -21.8905 -20.9010 -20.9010 -5.9117 -5.9117 -3.2149 -3.2149 -2.8896 -2.8896 -2.2232 -2.2232 -1.9477 -1.9477 -1.4046 -1.4046 10.4832 10.4832 12.3808 12.3808 14.6683 14.6683 15.6197 15.6197 k = 0.6125 0.2052-0.4979 ( 4110 PWs) bands (ev): -41.8512 -41.8512 -21.8935 -21.8935 -20.9079 -20.9079 -5.9057 -5.9057 -3.1877 -3.1877 -2.8817 -2.8817 -2.2135 -2.2135 -1.9381 -1.9381 -1.4001 -1.4001 10.4019 10.4019 12.3381 12.3381 14.7227 14.7227 15.6588 15.6588 k = 0.6098 0.2043-0.4832 ( 4108 PWs) bands (ev): -41.8517 -41.8517 -21.8968 -21.8968 -20.9149 -20.9149 -5.9001 -5.9001 -3.1599 -3.1599 -2.8733 -2.8733 -2.2035 -2.2035 -1.9273 -1.9273 -1.3955 -1.3955 10.3202 10.3202 12.2937 12.2937 14.7728 14.7728 15.7016 15.7016 k = 0.6070 0.2034-0.4686 ( 4107 PWs) bands (ev): -41.8522 -41.8522 -21.9003 -21.9003 -20.9219 -20.9219 -5.8948 -5.8948 -3.1317 -3.1317 -2.8644 -2.8644 -2.1931 -2.1931 -1.9153 -1.9153 -1.3908 -1.3908 10.2381 10.2381 12.2477 12.2477 14.8183 14.8183 15.7480 15.7480 k = 0.6043 0.2025-0.4539 ( 4101 PWs) bands (ev): -41.8527 -41.8527 -21.9039 -21.9039 -20.9289 -20.9289 -5.8897 -5.8897 -3.1034 -3.1034 -2.8547 -2.8547 -2.1824 -2.1824 -1.9020 -1.9020 -1.3859 -1.3859 10.1557 10.1557 12.2005 12.2005 14.8586 14.8586 15.7982 15.7982 k = 0.6016 0.2016-0.4392 ( 4097 PWs) bands (ev): -41.8533 -41.8533 -21.9078 -21.9078 -20.9360 -20.9360 -5.8850 -5.8850 -3.0755 -3.0755 -2.8439 -2.8439 -2.1715 -2.1715 -1.8874 -1.8874 -1.3810 -1.3810 10.0731 10.0731 12.1522 12.1522 14.8938 14.8938 15.8520 15.8520 k = 0.5988 0.2006-0.4245 ( 4093 PWs) bands (ev): -41.8538 -41.8538 -21.9118 -21.9118 -20.9430 -20.9430 -5.8806 -5.8806 -3.0485 -3.0485 -2.8316 -2.8316 -2.1603 -2.1603 -1.8717 -1.8717 -1.3760 -1.3760 9.9904 9.9904 12.1030 12.1030 14.9238 14.9238 15.9091 15.9091 k = 0.5961 0.1997-0.4098 ( 4084 PWs) bands (ev): -41.8544 -41.8544 -21.9159 -21.9159 -20.9501 -20.9501 -5.8765 -5.8765 -3.0231 -3.0231 -2.8170 -2.8170 -2.1489 -2.1489 -1.8548 -1.8548 -1.3709 -1.3709 9.9077 9.9077 12.0532 12.0532 14.9490 14.9490 15.9693 15.9693 k = 0.5933 0.1988-0.3952 ( 4081 PWs) bands (ev): -41.8549 -41.8549 -21.9202 -21.9202 -20.9571 -20.9571 -5.8727 -5.8727 -3.0000 -3.0000 -2.7997 -2.7997 -2.1373 -2.1373 -1.8368 -1.8368 -1.3658 -1.3658 9.8251 9.8251 12.0027 12.0027 14.9696 14.9696 16.0321 16.0321 k = 0.5906 0.1979-0.3805 ( 4095 PWs) bands (ev): -41.8555 -41.8555 -21.9246 -21.9246 -20.9641 -20.9641 -5.8691 -5.8691 -2.9798 -2.9798 -2.7791 -2.7791 -2.1255 -2.1255 -1.8178 -1.8178 -1.3606 -1.3606 9.7426 9.7426 11.9519 11.9519 14.9860 14.9860 16.0973 16.0973 k = 0.5878 0.1970-0.3658 ( 4091 PWs) bands (ev): -41.8561 -41.8561 -21.9290 -21.9290 -20.9710 -20.9710 -5.8659 -5.8659 -2.9630 -2.9630 -2.7548 -2.7548 -2.1136 -2.1136 -1.7979 -1.7979 -1.3554 -1.3554 9.6604 9.6604 11.9007 11.9007 14.9987 14.9987 16.1646 16.1646 k = 0.5851 0.1961-0.3511 ( 4090 PWs) bands (ev): -41.8567 -41.8567 -21.9336 -21.9336 -20.9779 -20.9779 -5.8629 -5.8629 -2.9494 -2.9494 -2.7271 -2.7271 -2.1016 -2.1016 -1.7771 -1.7771 -1.3503 -1.3503 9.5786 9.5786 11.8494 11.8494 15.0081 15.0081 16.2335 16.2335 k = 0.5823 0.1951-0.3364 ( 4088 PWs) bands (ev): -41.8573 -41.8573 -21.9382 -21.9382 -20.9847 -20.9847 -5.8601 -5.8601 -2.9387 -2.9387 -2.6962 -2.6962 -2.0895 -2.0895 -1.7555 -1.7555 -1.3451 -1.3451 9.4973 9.4973 11.7981 11.7981 15.0146 15.0146 16.3040 16.3040 k = 0.5796 0.1942-0.3218 ( 4085 PWs) bands (ev): -41.8578 -41.8578 -21.9429 -21.9429 -20.9914 -20.9914 -5.8577 -5.8577 -2.9305 -2.9305 -2.6628 -2.6628 -2.0774 -2.0774 -1.7333 -1.7333 -1.3399 -1.3399 9.4166 9.4166 11.7469 11.7469 15.0185 15.0185 16.3759 16.3759 k = 0.5769 0.1933-0.3071 ( 4085 PWs) bands (ev): -41.8584 -41.8584 -21.9475 -21.9475 -20.9980 -20.9980 -5.8554 -5.8554 -2.9243 -2.9243 -2.6274 -2.6274 -2.0653 -2.0653 -1.7106 -1.7106 -1.3348 -1.3348 9.3367 9.3367 11.6958 11.6958 15.0202 15.0202 16.4489 16.4489 k = 0.5741 0.1924-0.2924 ( 4085 PWs) bands (ev): -41.8590 -41.8590 -21.9522 -21.9522 -21.0045 -21.0045 -5.8534 -5.8534 -2.9197 -2.9197 -2.5905 -2.5905 -2.0531 -2.0531 -1.6874 -1.6874 -1.3297 -1.3297 9.2576 9.2576 11.6451 11.6451 15.0200 15.0200 16.5229 16.5229 k = 0.5714 0.1915-0.2777 ( 4083 PWs) bands (ev): -41.8596 -41.8596 -21.9569 -21.9569 -21.0108 -21.0108 -5.8517 -5.8517 -2.9163 -2.9163 -2.5525 -2.5525 -2.0411 -2.0411 -1.6638 -1.6638 -1.3247 -1.3247 9.1795 9.1795 11.5949 11.5949 15.0181 15.0181 16.5979 16.5979 k = 0.5686 0.1905-0.2630 ( 4083 PWs) bands (ev): -41.8601 -41.8601 -21.9616 -21.9616 -21.0170 -21.0170 -5.8501 -5.8501 -2.9139 -2.9139 -2.5137 -2.5137 -2.0291 -2.0291 -1.6401 -1.6401 -1.3197 -1.3197 9.1026 9.1026 11.5452 11.5452 15.0148 15.0148 16.6738 16.6738 k = 0.5659 0.1896-0.2484 ( 4085 PWs) bands (ev): -41.8607 -41.8607 -21.9662 -21.9662 -21.0231 -21.0231 -5.8488 -5.8488 -2.9123 -2.9123 -2.4744 -2.4744 -2.0172 -2.0172 -1.6162 -1.6162 -1.3149 -1.3149 9.0270 9.0270 11.4962 11.4962 15.0104 15.0104 16.7504 16.7504 k = 0.5631 0.1887-0.2337 ( 4083 PWs) bands (ev): -41.8612 -41.8612 -21.9708 -21.9708 -21.0290 -21.0290 -5.8476 -5.8476 -2.9114 -2.9114 -2.4349 -2.4349 -2.0055 -2.0055 -1.5923 -1.5923 -1.3101 -1.3101 8.9528 8.9528 11.4480 11.4480 15.0050 15.0050 16.8278 16.8278 k = 0.5604 0.1878-0.2190 ( 4079 PWs) bands (ev): -41.8617 -41.8617 -21.9753 -21.9753 -21.0348 -21.0348 -5.8466 -5.8466 -2.9110 -2.9110 -2.3954 -2.3954 -1.9939 -1.9939 -1.5686 -1.5686 -1.3054 -1.3054 8.8802 8.8802 11.4007 11.4007 14.9988 14.9988 16.9056 16.9056 k = 0.5576 0.1869-0.2043 ( 4080 PWs) bands (ev): -41.8623 -41.8623 -21.9797 -21.9797 -21.0403 -21.0403 -5.8457 -5.8457 -2.9110 -2.9110 -2.3561 -2.3561 -1.9826 -1.9826 -1.5451 -1.5451 -1.3009 -1.3009 8.8093 8.8093 11.3545 11.3545 14.9920 14.9920 16.9840 16.9840 k = 0.5549 0.1859-0.1896 ( 4074 PWs) bands (ev): -41.8628 -41.8628 -21.9841 -21.9841 -21.0457 -21.0457 -5.8451 -5.8451 -2.9113 -2.9113 -2.3172 -2.3172 -1.9715 -1.9715 -1.5220 -1.5220 -1.2964 -1.2964 8.7403 8.7403 11.3095 11.3095 14.9847 14.9847 17.0626 17.0626 k = 0.5522 0.1850-0.1749 ( 4076 PWs) bands (ev): -41.8633 -41.8633 -21.9883 -21.9883 -21.0509 -21.0509 -5.8445 -5.8445 -2.9119 -2.9119 -2.2788 -2.2788 -1.9607 -1.9607 -1.4993 -1.4993 -1.2921 -1.2921 8.6734 8.6734 11.2657 11.2657 14.9771 14.9771 17.1413 17.1413 k = 0.5494 0.1841-0.1603 ( 4078 PWs) bands (ev): -41.8637 -41.8637 -21.9924 -21.9924 -21.0559 -21.0559 -5.8441 -5.8441 -2.9128 -2.9128 -2.2412 -2.2412 -1.9502 -1.9502 -1.4772 -1.4772 -1.2880 -1.2880 8.6087 8.6087 11.2234 11.2234 14.9693 14.9693 17.2200 17.2200 k = 0.5467 0.1832-0.1456 ( 4077 PWs) bands (ev): -41.8642 -41.8642 -21.9963 -21.9963 -21.0606 -21.0606 -5.8437 -5.8437 -2.9138 -2.9138 -2.2044 -2.2044 -1.9400 -1.9400 -1.4557 -1.4557 -1.2839 -1.2839 8.5463 8.5463 11.1825 11.1825 14.9613 14.9613 17.2984 17.2984 k = 0.5439 0.1823-0.1309 ( 4078 PWs) bands (ev): -41.8646 -41.8646 -22.0001 -22.0001 -21.0651 -21.0651 -5.8435 -5.8435 -2.9149 -2.9149 -2.1687 -2.1687 -1.9301 -1.9301 -1.4351 -1.4351 -1.2800 -1.2800 8.4865 8.4865 11.1433 11.1433 14.9534 14.9534 17.3762 17.3762 k = 0.5412 0.1813-0.1162 ( 4078 PWs) bands (ev): -41.8650 -41.8650 -22.0037 -22.0037 -21.0694 -21.0694 -5.8434 -5.8434 -2.9161 -2.9161 -2.1343 -2.1343 -1.9206 -1.9206 -1.4153 -1.4153 -1.2762 -1.2762 8.4293 8.4293 11.1059 11.1059 14.9455 14.9455 17.4532 17.4532 k = 0.5384 0.1804-0.1015 ( 4070 PWs) bands (ev): -41.8654 -41.8654 -22.0072 -22.0072 -21.0735 -21.0735 -5.8433 -5.8433 -2.9173 -2.9173 -2.1013 -2.1013 -1.9116 -1.9116 -1.3965 -1.3965 -1.2726 -1.2726 8.3750 8.3750 11.0703 11.0703 14.9378 14.9378 17.5290 17.5290 k = 0.5357 0.1795-0.0869 ( 4070 PWs) bands (ev): -41.8658 -41.8658 -22.0104 -22.0104 -21.0773 -21.0773 -5.8433 -5.8433 -2.9186 -2.9186 -2.0698 -2.0698 -1.9029 -1.9029 -1.3788 -1.3788 -1.2690 -1.2690 8.3237 8.3237 11.0367 11.0367 14.9303 14.9303 17.6032 17.6032 k = 0.5329 0.1786-0.0722 ( 4070 PWs) bands (ev): -41.8661 -41.8661 -22.0135 -22.0135 -21.0808 -21.0808 -5.8433 -5.8433 -2.9198 -2.9198 -2.0400 -2.0400 -1.8947 -1.8947 -1.3623 -1.3623 -1.2655 -1.2655 8.2755 8.2755 11.0051 11.0051 14.9231 14.9231 17.6753 17.6753 k = 0.5302 0.1777-0.0575 ( 4069 PWs) bands (ev): -41.8665 -41.8665 -22.0163 -22.0163 -21.0841 -21.0841 -5.8434 -5.8434 -2.9211 -2.9211 -2.0121 -2.0121 -1.8869 -1.8869 -1.3471 -1.3471 -1.2621 -1.2621 8.2305 8.2305 10.9756 10.9756 14.9163 14.9163 17.7450 17.7450 k = 0.5274 0.1767-0.0428 ( 4069 PWs) bands (ev): -41.8668 -41.8668 -22.0190 -22.0190 -21.0871 -21.0871 -5.8435 -5.8435 -2.9223 -2.9223 -1.9863 -1.9863 -1.8795 -1.8795 -1.3332 -1.3332 -1.2588 -1.2588 8.1890 8.1890 10.9485 10.9485 14.9100 14.9100 17.8117 17.8117 k = 0.5247 0.1758-0.0281 ( 4068 PWs) bands (ev): -41.8670 -41.8670 -22.0214 -22.0214 -21.0899 -21.0899 -5.8436 -5.8436 -2.9234 -2.9234 -1.9628 -1.9628 -1.8725 -1.8725 -1.3209 -1.3209 -1.2554 -1.2554 8.1510 8.1510 10.9236 10.9236 14.9040 14.9040 17.8748 17.8748 k = 0.5220 0.1749-0.0135 ( 4060 PWs) bands (ev): -41.8673 -41.8673 -22.0236 -22.0236 -21.0924 -21.0924 -5.8437 -5.8437 -2.9244 -2.9244 -1.9417 -1.9417 -1.8658 -1.8658 -1.3101 -1.3101 -1.2519 -1.2519 8.1167 8.1167 10.9011 10.9011 14.8986 14.8986 17.9337 17.9337 k = 0.5192 0.1740 0.0012 ( 4059 PWs) bands (ev): -41.8675 -41.8675 -22.0255 -22.0255 -21.0945 -21.0945 -5.8438 -5.8438 -2.9254 -2.9254 -1.9232 -1.9232 -1.8594 -1.8594 -1.3009 -1.3009 -1.2485 -1.2485 8.0861 8.0861 10.8812 10.8812 14.8938 14.8938 17.9878 17.9878 k = 0.5165 0.1731 0.0159 ( 4059 PWs) bands (ev): -41.8677 -41.8677 -22.0272 -22.0272 -21.0965 -21.0965 -5.8440 -5.8440 -2.9262 -2.9262 -1.9075 -1.9075 -1.8533 -1.8533 -1.2933 -1.2933 -1.2450 -1.2450 8.0594 8.0594 10.8637 10.8637 14.8895 14.8895 18.0365 18.0365 k = 0.5137 0.1721 0.0306 ( 4062 PWs) bands (ev): -41.8679 -41.8679 -22.0286 -22.0286 -21.0981 -21.0981 -5.8441 -5.8441 -2.9270 -2.9270 -1.8948 -1.8948 -1.8474 -1.8474 -1.2873 -1.2873 -1.2417 -1.2417 8.0367 8.0367 10.8488 10.8488 14.8859 14.8859 18.0790 18.0790 k = 0.5110 0.1712 0.0453 ( 4062 PWs) bands (ev): -41.8680 -41.8680 -22.0298 -22.0298 -21.0994 -21.0994 -5.8442 -5.8442 -2.9276 -2.9276 -1.8849 -1.8849 -1.8418 -1.8418 -1.2826 -1.2826 -1.2386 -1.2386 8.0179 8.0179 10.8366 10.8366 14.8829 14.8829 18.1148 18.1148 k = 0.5082 0.1703 0.0599 ( 4062 PWs) bands (ev): -41.8681 -41.8681 -22.0307 -22.0307 -21.1004 -21.1004 -5.8443 -5.8443 -2.9281 -2.9281 -1.8778 -1.8778 -1.8368 -1.8368 -1.2793 -1.2793 -1.2359 -1.2359 8.0033 8.0033 10.8270 10.8270 14.8805 14.8805 18.1434 18.1434 k = 0.5055 0.1694 0.0746 ( 4066 PWs) bands (ev): -41.8682 -41.8682 -22.0314 -22.0314 -21.1012 -21.1012 -5.8444 -5.8444 -2.9284 -2.9284 -1.8731 -1.8731 -1.8329 -1.8329 -1.2770 -1.2770 -1.2339 -1.2339 7.9928 7.9928 10.8202 10.8202 14.8788 14.8788 18.1641 18.1641 k = 0.5027 0.1685 0.0893 ( 4066 PWs) bands (ev): -41.8682 -41.8682 -22.0318 -22.0318 -21.1016 -21.1016 -5.8444 -5.8444 -2.9286 -2.9286 -1.8704 -1.8704 -1.8303 -1.8303 -1.2757 -1.2757 -1.2326 -1.2326 7.9865 7.9865 10.8161 10.8161 14.8778 14.8778 18.1765 18.1766 k = 0.5000 0.1675 0.1040 ( 4058 PWs) bands (ev): -41.8682 -41.8682 -22.0319 -22.0319 -21.1018 -21.1018 -5.8444 -5.8444 -2.9287 -2.9287 -1.8695 -1.8695 -1.8295 -1.8295 -1.2753 -1.2753 -1.2321 -1.2321 7.9844 7.9844 10.8147 10.8147 14.8774 14.8774 18.1800 18.1801 k = 0.5000-0.6623-0.4111 ( 4112 PWs) bands (ev): -41.8459 -41.8459 -21.9686 -21.9686 -20.6866 -20.6866 -6.4021 -6.4021 -3.5928 -3.5928 -2.5792 -2.5792 -1.9318 -1.9318 -1.8722 -1.8722 -1.7121 -1.7121 10.4107 10.4107 12.6295 12.6295 14.8834 14.8834 16.4848 16.4848 k = 0.5123-0.6556-0.4069 ( 4114 PWs) bands (ev): -41.8459 -41.8459 -21.9684 -21.9684 -20.6869 -20.6869 -6.4012 -6.4012 -3.5920 -3.5920 -2.5810 -2.5810 -1.9383 -1.9383 -1.8657 -1.8657 -1.7121 -1.7121 10.4128 10.4128 12.6291 12.6291 14.8835 14.8835 16.4771 16.4771 k = 0.5246-0.6489-0.4027 ( 4116 PWs) bands (ev): -41.8459 -41.8459 -21.9677 -21.9677 -20.6879 -20.6879 -6.3988 -6.3988 -3.5898 -3.5898 -2.5863 -2.5863 -1.9529 -1.9529 -1.8509 -1.8509 -1.7124 -1.7124 10.4189 10.4189 12.6279 12.6279 14.8834 14.8834 16.4555 16.4555 k = 0.5369-0.6422-0.3986 ( 4112 PWs) bands (ev): -41.8459 -41.8459 -21.9667 -21.9667 -20.6894 -20.6894 -6.3946 -6.3946 -3.5861 -3.5861 -2.5951 -2.5951 -1.9705 -1.9705 -1.8330 -1.8330 -1.7128 -1.7128 10.4290 10.4290 12.6258 12.6258 14.8832 14.8832 16.4228 16.4228 k = 0.5492-0.6355-0.3944 ( 4110 PWs) bands (ev): -41.8459 -41.8459 -21.9652 -21.9652 -20.6915 -20.6915 -6.3889 -6.3889 -3.5810 -3.5810 -2.6073 -2.6073 -1.9892 -1.9892 -1.8139 -1.8139 -1.7135 -1.7135 10.4431 10.4431 12.6229 12.6229 14.8826 14.8826 16.3821 16.3821 k = 0.5615-0.6288-0.3903 ( 4106 PWs) bands (ev): -41.8459 -41.8459 -21.9633 -21.9633 -20.6942 -20.6942 -6.3816 -6.3816 -3.5744 -3.5744 -2.6226 -2.6226 -2.0083 -2.0083 -1.7946 -1.7946 -1.7143 -1.7143 10.4613 10.4613 12.6194 12.6194 14.8813 14.8813 16.3358 16.3358 k = 0.5738-0.6221-0.3861 ( 4109 PWs) bands (ev): -41.8459 -41.8459 -21.9610 -21.9610 -20.6974 -20.6974 -6.3727 -6.3727 -3.5664 -3.5664 -2.6410 -2.6410 -2.0274 -2.0274 -1.7755 -1.7755 -1.7153 -1.7153 10.4833 10.4833 12.6152 12.6152 14.8787 14.8787 16.2856 16.2856 k = 0.5861-0.6154-0.3819 ( 4105 PWs) bands (ev): -41.8459 -41.8459 -21.9584 -21.9584 -20.7012 -20.7012 -6.3623 -6.3623 -3.5571 -3.5571 -2.6620 -2.6620 -2.0463 -2.0463 -1.7576 -1.7576 -1.7157 -1.7157 10.5093 10.5093 12.6104 12.6104 14.8745 14.8745 16.2327 16.2327 k = 0.5984-0.6087-0.3778 ( 4111 PWs) bands (ev): -41.8459 -41.8459 -21.9553 -21.9553 -20.7055 -20.7055 -6.3504 -6.3504 -3.5465 -3.5465 -2.6855 -2.6855 -2.0651 -2.0651 -1.7434 -1.7434 -1.7132 -1.7132 10.5390 10.5390 12.6051 12.6051 14.8679 14.8679 16.1780 16.1780 k = 0.6107-0.6020-0.3736 ( 4109 PWs) bands (ev): -41.8459 -41.8459 -21.9520 -21.9520 -20.7103 -20.7103 -6.3372 -6.3372 -3.5347 -3.5347 -2.7112 -2.7112 -2.0836 -2.0836 -1.7380 -1.7380 -1.7030 -1.7030 10.5725 10.5725 12.5995 12.5995 14.8585 14.8585 16.1221 16.1221 k = 0.6230-0.5953-0.3695 ( 4107 PWs) bands (ev): -41.8459 -41.8459 -21.9483 -21.9483 -20.7155 -20.7155 -6.3226 -6.3226 -3.5219 -3.5219 -2.7386 -2.7386 -2.1018 -2.1018 -1.7397 -1.7397 -1.6869 -1.6869 10.6096 10.6096 12.5935 12.5935 14.8455 14.8455 16.0657 16.0657 k = 0.6353-0.5886-0.3653 ( 4108 PWs) bands (ev): -41.8459 -41.8459 -21.9443 -21.9443 -20.7212 -20.7212 -6.3069 -6.3069 -3.5080 -3.5080 -2.7675 -2.7675 -2.1196 -2.1196 -1.7447 -1.7447 -1.6688 -1.6688 10.6502 10.6502 12.5875 12.5875 14.8282 14.8282 16.0092 16.0092 k = 0.6476-0.5819-0.3611 ( 4112 PWs) bands (ev): -41.8460 -41.8460 -21.9400 -21.9400 -20.7272 -20.7272 -6.2899 -6.2899 -3.4934 -3.4934 -2.7975 -2.7975 -2.1369 -2.1369 -1.7516 -1.7516 -1.6503 -1.6503 10.6943 10.6943 12.5813 12.5813 14.8061 14.8061 15.9529 15.9529 k = 0.6599-0.5752-0.3570 ( 4112 PWs) bands (ev): -41.8460 -41.8460 -21.9355 -21.9355 -20.7336 -20.7336 -6.2720 -6.2720 -3.4783 -3.4783 -2.8281 -2.8281 -2.1538 -2.1538 -1.7601 -1.7601 -1.6319 -1.6319 10.7416 10.7416 12.5752 12.5752 14.7786 14.7786 15.8973 15.8973 k = 0.6722-0.5685-0.3528 ( 4108 PWs) bands (ev): -41.8460 -41.8460 -21.9308 -21.9308 -20.7402 -20.7402 -6.2531 -6.2531 -3.4629 -3.4629 -2.8587 -2.8587 -2.1702 -2.1702 -1.7701 -1.7701 -1.6137 -1.6137 10.7921 10.7921 12.5693 12.5693 14.7453 14.7453 15.8424 15.8424 k = 0.6844-0.5618-0.3487 ( 4104 PWs) bands (ev): -41.8460 -41.8460 -21.9259 -21.9259 -20.7471 -20.7471 -6.2333 -6.2333 -3.4476 -3.4476 -2.8888 -2.8888 -2.1861 -2.1861 -1.7815 -1.7815 -1.5958 -1.5958 10.8455 10.8455 12.5637 12.5637 14.7059 14.7059 15.7886 15.7886 k = 0.6967-0.5551-0.3445 ( 4100 PWs) bands (ev): -41.8460 -41.8460 -21.9209 -21.9209 -20.7542 -20.7542 -6.2130 -6.2130 -3.4331 -3.4331 -2.9175 -2.9175 -2.2015 -2.2015 -1.7943 -1.7943 -1.5783 -1.5783 10.9017 10.9017 12.5585 12.5585 14.6604 14.6604 15.7360 15.7360 k = 0.7090-0.5484-0.3403 ( 4097 PWs) bands (ev): -41.8460 -41.8460 -21.9157 -21.9157 -20.7614 -20.7614 -6.1920 -6.1920 -3.4201 -3.4201 -2.9440 -2.9440 -2.2163 -2.2163 -1.8085 -1.8085 -1.5613 -1.5613 10.9604 10.9604 12.5538 12.5538 14.6090 14.6090 15.6847 15.6847 k = 0.7213-0.5417-0.3362 ( 4095 PWs) bands (ev): -41.8460 -41.8460 -21.9106 -21.9106 -20.7687 -20.7687 -6.1707 -6.1707 -3.4093 -3.4093 -2.9671 -2.9671 -2.2305 -2.2305 -1.8241 -1.8241 -1.5448 -1.5448 11.0215 11.0215 12.5498 12.5498 14.5519 14.5519 15.6348 15.6348 k = 0.7336-0.5350-0.3320 ( 4093 PWs) bands (ev): -41.8461 -41.8461 -21.9054 -21.9054 -20.7760 -20.7760 -6.1492 -6.1492 -3.4020 -3.4020 -2.9856 -2.9856 -2.2440 -2.2440 -1.8411 -1.8411 -1.5288 -1.5288 11.0846 11.0846 12.5465 12.5465 14.4896 14.4896 15.5865 15.5865 k = 0.7459-0.5283-0.3279 ( 4094 PWs) bands (ev): -41.8461 -41.8461 -21.9002 -21.9002 -20.7832 -20.7832 -6.1276 -6.1276 -3.3991 -3.3991 -2.9982 -2.9982 -2.2570 -2.2570 -1.8594 -1.8594 -1.5135 -1.5135 11.1494 11.1494 12.5442 12.5442 14.4225 14.4225 15.5398 15.5398 k = 0.7582-0.5216-0.3237 ( 4094 PWs) bands (ev): -41.8461 -41.8461 -21.8951 -21.8951 -20.7904 -20.7904 -6.1061 -6.1061 -3.4014 -3.4014 -3.0040 -3.0040 -2.2692 -2.2692 -1.8789 -1.8789 -1.4988 -1.4988 11.2157 11.2157 12.5429 12.5429 14.3513 14.3513 15.4948 15.4948 k = 0.7705-0.5149-0.3195 ( 4094 PWs) bands (ev): -41.8461 -41.8461 -21.8902 -21.8902 -20.7973 -20.7973 -6.0849 -6.0849 -3.4091 -3.4091 -3.0026 -3.0026 -2.2808 -2.2808 -1.8996 -1.8996 -1.4848 -1.4848 11.2828 11.2828 12.5428 12.5428 14.2768 14.2768 15.4518 15.4518 k = 0.7828-0.5082-0.3154 ( 4092 PWs) bands (ev): -41.8461 -41.8461 -21.8855 -21.8855 -20.8041 -20.8041 -6.0643 -6.0643 -3.4218 -3.4218 -2.9943 -2.9943 -2.2917 -2.2917 -1.9213 -1.9213 -1.4715 -1.4715 11.3505 11.3505 12.5441 12.5441 14.1996 14.1996 15.4107 15.4107 k = 0.7951-0.5015-0.3112 ( 4087 PWs) bands (ev): -41.8462 -41.8462 -21.8809 -21.8809 -20.8105 -20.8105 -6.0444 -6.0444 -3.4385 -3.4385 -2.9798 -2.9798 -2.3019 -2.3019 -1.9440 -1.9440 -1.4589 -1.4589 11.4181 11.4181 12.5469 12.5469 14.1205 14.1205 15.3719 15.3719 k = 0.8074-0.4948-0.3071 ( 4085 PWs) bands (ev): -41.8462 -41.8462 -21.8767 -21.8767 -20.8166 -20.8166 -6.0255 -6.0255 -3.4579 -3.4579 -2.9604 -2.9604 -2.3114 -2.3114 -1.9676 -1.9676 -1.4470 -1.4470 11.4849 11.4849 12.5513 12.5513 14.0403 14.0403 15.3354 15.3354 Writing output data file LiHF2.save init_run : 0.10s CPU 0.32s WALL ( 1 calls) electrons : 86.51s CPU 88.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.01s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 86.51s CPU 88.04s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 413 calls) cegterg : 77.25s CPU 78.26s WALL ( 426 calls) Called by sum_band: Called by *egterg: h_psi : 63.50s CPU 64.47s WALL ( 6683 calls) s_psi : 0.50s CPU 0.51s WALL ( 6683 calls) g_psi : 0.12s CPU 0.11s WALL ( 5844 calls) cdiaghg : 16.95s CPU 17.01s WALL ( 6257 calls) cegterg:over : 1.65s CPU 1.65s WALL ( 5844 calls) cegterg:upda : 1.28s CPU 1.31s WALL ( 5844 calls) cegterg:last : 0.78s CPU 0.85s WALL ( 1245 calls) cdiaghg:chol : 0.89s CPU 0.93s WALL ( 6257 calls) cdiaghg:inve : 0.38s CPU 0.36s WALL ( 6257 calls) cdiaghg:para : 1.02s CPU 1.08s WALL ( 12514 calls) Called by h_psi: h_psi:vloc : 62.10s CPU 62.99s WALL ( 6683 calls) h_psi:vnl : 1.35s CPU 1.43s WALL ( 6683 calls) add_vuspsi : 0.57s CPU 0.59s WALL ( 6683 calls) General routines calbec : 0.76s CPU 0.82s WALL ( 6683 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 58.86s CPU 59.67s WALL ( 377620 calls) davcio : 0.15s CPU 0.16s WALL ( 826 calls) Parallel routines fft_scatter : 15.52s CPU 15.86s WALL ( 377635 calls) PWSCF : 1m38.15s CPU 2m15.31s WALL This run was terminated on: 18: 3:42 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=